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 1xpy_1_A DATA FIRST_RESID 6 DATA SEQUENCE RMFKIEAAEI VVARLPLKXX XXXXXXXXTH KVVPLLILHG EGVQGVAEGT DATA SEQUENCE MEARPMYREE TIAGALDLLR GTFLPAILGQ TFANPEAVSD ALGSYRGNRM DATA SEQUENCE ARAMVEMAAW DLWARTLGVP LGTLLGGHKE QVEVGVSLGI QADEQATVDL DATA SEQUENCE VRRHVEQGYR RIKLKIKPGW DVQPVRATRE AFPDIRLTVD ANSAYTLADA DATA SEQUENCE GRLRQLDEYD LTYIEQPLAW DDLVDHAELA RRIRTPLCLD ESVASASDAR DATA SEQUENCE KALALGAGGV INLKVARVGG HAESRRVHDV AQSFGAPVWC GGMLESGIGR DATA SEQUENCE AHNIHLSTLS NFRLPGDTSS ASRYWERDLI QEPLEAVDGL MPVPQGPGTG DATA SEQUENCE VTLDREFLAT VTEAQEEHRA 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 6 R HA 0.000 nan 4.340 nan 0.000 0.208 6 R C 0.000 176.503 176.300 0.338 0.000 0.893 6 R CA 0.000 56.240 56.100 0.233 0.000 0.921 6 R CB 0.000 30.382 30.300 0.137 0.000 0.687 7 M N 1.575 121.296 119.600 0.201 0.000 2.226 7 M HA 0.333 4.814 4.480 0.001 0.000 0.324 7 M C -0.453 175.994 176.300 0.245 0.000 1.112 7 M CA 0.258 55.641 55.300 0.139 0.000 1.176 7 M CB 0.086 32.671 32.600 -0.025 0.000 1.430 7 M HN 0.511 nan 8.290 nan 0.000 0.462 8 F N -0.224 119.786 119.950 0.099 0.000 2.540 8 F HA 0.701 5.228 4.527 0.001 0.000 0.317 8 F C -0.801 175.078 175.800 0.131 0.000 1.104 8 F CA -1.230 56.850 58.000 0.133 0.000 0.913 8 F CB 1.120 40.235 39.000 0.193 0.000 1.170 8 F HN 0.424 nan 8.300 nan 0.000 0.450 9 K N 4.371 124.903 120.400 0.221 0.000 2.213 9 K HA 0.578 4.899 4.320 0.001 0.000 0.270 9 K C -1.149 175.601 176.600 0.251 0.000 1.002 9 K CA -0.610 55.749 56.287 0.121 0.000 0.868 9 K CB 1.102 33.641 32.500 0.064 0.000 1.093 9 K HN 0.874 nan 8.250 nan 0.000 0.454 10 I N 4.780 125.517 120.570 0.279 0.000 2.294 10 I HA 0.043 4.214 4.170 0.001 0.000 0.295 10 I C 0.843 177.078 176.117 0.197 0.000 1.098 10 I CA 0.012 61.484 61.300 0.288 0.000 1.277 10 I CB 1.112 39.309 38.000 0.329 0.000 1.434 10 I HN 0.819 nan 8.210 nan 0.000 0.498 11 E N 4.313 124.622 120.200 0.182 0.000 2.122 11 E HA 0.183 4.534 4.350 0.001 0.000 0.190 11 E C 0.451 177.134 176.600 0.138 0.000 0.977 11 E CA 0.399 56.880 56.400 0.136 0.000 0.820 11 E CB 0.430 30.198 29.700 0.115 0.000 0.770 11 E HN 0.764 nan 8.360 nan 0.000 0.462 12 A N -0.242 122.691 122.820 0.188 0.000 2.609 12 A HA 0.824 5.145 4.320 0.001 0.000 0.291 12 A C -1.639 176.106 177.584 0.268 0.000 1.096 12 A CA -0.236 51.919 52.037 0.197 0.000 0.684 12 A CB 1.795 20.870 19.000 0.124 0.000 1.282 12 A HN 0.073 nan 8.150 nan 0.000 0.412 13 A N 0.495 123.467 122.820 0.254 0.000 2.488 13 A HA 0.735 5.055 4.320 0.001 0.000 0.298 13 A C -1.070 176.653 177.584 0.231 0.000 1.044 13 A CA -0.393 51.785 52.037 0.234 0.000 0.693 13 A CB 1.136 20.248 19.000 0.186 0.000 1.272 13 A HN 0.728 nan 8.150 nan 0.000 0.402 14 E N 1.366 121.680 120.200 0.190 0.000 2.199 14 E HA 0.561 4.911 4.350 0.001 0.000 0.269 14 E C -1.183 175.484 176.600 0.111 0.000 0.899 14 E CA -0.471 56.015 56.400 0.142 0.000 0.772 14 E CB 2.390 32.172 29.700 0.136 0.000 1.155 14 E HN 0.583 nan 8.360 nan 0.000 0.408 15 I N 2.746 123.380 120.570 0.107 0.000 2.321 15 I HA 0.275 4.445 4.170 0.001 0.000 0.291 15 I C -0.787 175.353 176.117 0.038 0.000 0.998 15 I CA -0.875 60.469 61.300 0.073 0.000 1.227 15 I CB 1.320 39.375 38.000 0.092 0.000 1.368 15 I HN 0.172 nan 8.210 nan 0.000 0.466 16 V N 7.206 127.132 119.914 0.020 0.000 2.483 16 V HA 0.335 4.455 4.120 0.001 0.000 0.297 16 V C -0.163 175.924 176.094 -0.012 0.000 1.027 16 V CA -0.727 61.573 62.300 -0.001 0.000 0.855 16 V CB 1.989 33.808 31.823 -0.007 0.000 0.995 16 V HN 0.374 nan 8.190 nan 0.000 0.424 17 V N 4.364 124.268 119.914 -0.017 0.000 2.350 17 V HA 0.769 4.890 4.120 0.001 0.000 0.276 17 V C 0.580 176.652 176.094 -0.036 0.000 1.028 17 V CA -0.293 61.994 62.300 -0.021 0.000 0.860 17 V CB 1.245 33.059 31.823 -0.014 0.000 0.990 17 V HN 0.979 nan 8.190 nan 0.000 0.453 18 A N 5.686 128.478 122.820 -0.047 0.000 2.294 18 A HA 0.818 5.139 4.320 0.001 0.000 0.330 18 A C 0.040 177.604 177.584 -0.032 0.000 1.133 18 A CA -0.815 51.181 52.037 -0.067 0.000 0.836 18 A CB 1.090 20.022 19.000 -0.112 0.000 1.190 18 A HN 0.697 nan 8.150 nan 0.000 0.492 19 R N 1.192 121.683 120.500 -0.016 0.000 2.358 19 R HA 0.353 4.694 4.340 0.001 0.000 0.309 19 R C -1.893 174.495 176.300 0.147 0.000 1.026 19 R CA -0.589 55.556 56.100 0.075 0.000 0.909 19 R CB 1.079 31.404 30.300 0.043 0.000 1.153 19 R HN 0.561 nan 8.270 nan 0.000 0.515 20 L N 5.967 127.275 121.223 0.142 0.000 2.280 20 L HA 0.483 4.823 4.340 0.001 0.000 0.287 20 L C -2.424 174.579 176.870 0.223 0.000 1.023 20 L CA -2.256 52.634 54.840 0.083 0.000 0.819 20 L CB 1.421 43.347 42.059 -0.221 0.000 1.212 20 L HN 0.348 nan 8.230 nan 0.000 0.420 21 P HA 0.106 nan 4.420 nan 0.000 0.267 21 P C -0.499 176.896 177.300 0.157 0.000 1.205 21 P CA 0.110 63.105 63.100 -0.175 0.000 0.765 21 P CB 0.406 32.044 31.700 -0.104 0.000 0.828 22 L N 2.481 123.727 121.223 0.038 0.000 2.466 22 L HA 0.255 4.596 4.340 0.001 0.000 0.257 22 L C 1.352 178.230 176.870 0.014 0.000 1.189 22 L CA -0.267 54.596 54.840 0.039 0.000 0.813 22 L CB 0.178 42.204 42.059 -0.055 0.000 1.118 22 L HN 0.366 nan 8.230 nan 0.000 0.471 35 H N 0.361 119.483 119.070 0.087 0.000 2.894 35 H HA 0.703 5.260 4.556 0.001 0.000 0.368 35 H C -1.313 174.101 175.328 0.142 0.000 1.181 35 H CA -0.824 55.299 56.048 0.125 0.000 1.146 35 H CB 2.411 32.226 29.762 0.089 0.000 1.839 35 H HN 0.118 nan 8.280 nan 0.000 0.557 36 K N 1.518 122.108 120.400 0.317 0.000 2.443 36 K HA 0.294 4.615 4.320 0.001 0.000 0.252 36 K C -1.227 175.488 176.600 0.192 0.000 0.933 36 K CA -0.657 55.786 56.287 0.260 0.000 0.792 36 K CB 2.236 34.961 32.500 0.374 0.000 1.185 36 K HN 0.235 nan 8.250 nan 0.000 0.425 37 V N 4.360 124.347 119.914 0.122 0.000 2.439 37 V HA 0.112 4.233 4.120 0.001 0.000 0.271 37 V C -0.259 175.865 176.094 0.050 0.000 1.040 37 V CA -0.398 61.942 62.300 0.067 0.000 1.002 37 V CB 1.079 32.927 31.823 0.041 0.000 1.000 37 V HN 0.424 nan 8.190 nan 0.000 0.477 38 V N 8.708 128.630 119.914 0.013 0.000 2.293 38 V HA 0.334 4.454 4.120 0.001 0.000 0.275 38 V C -2.228 173.853 176.094 -0.023 0.000 1.021 38 V CA -1.761 60.530 62.300 -0.014 0.000 0.815 38 V CB 1.528 33.306 31.823 -0.074 0.000 1.025 38 V HN 0.734 nan 8.190 nan 0.000 0.448 39 P HA 0.446 nan 4.420 nan 0.000 0.287 39 P C -0.913 176.379 177.300 -0.013 0.000 1.281 39 P CA -0.172 62.921 63.100 -0.011 0.000 0.781 39 P CB 1.252 32.949 31.700 -0.005 0.000 0.903 40 L N 3.401 124.618 121.223 -0.010 0.000 2.362 40 L HA 0.561 4.901 4.340 0.001 0.000 0.271 40 L C -0.166 176.709 176.870 0.009 0.000 1.002 40 L CA -1.202 53.635 54.840 -0.006 0.000 0.818 40 L CB 2.086 44.139 42.059 -0.010 0.000 1.298 40 L HN 0.225 nan 8.230 nan 0.000 0.420 41 L N 3.833 125.063 121.223 0.011 0.000 2.322 41 L HA 0.629 4.970 4.340 0.001 0.000 0.281 41 L C -0.885 175.990 176.870 0.008 0.000 1.014 41 L CA 0.013 54.867 54.840 0.023 0.000 0.815 41 L CB 1.508 43.584 42.059 0.028 0.000 1.247 41 L HN 0.372 nan 8.230 nan 0.000 0.421 42 I N 6.162 126.732 120.570 -0.000 0.000 2.389 42 I HA 0.380 4.551 4.170 0.001 0.000 0.288 42 I C -0.874 175.168 176.117 -0.124 0.000 0.999 42 I CA -0.544 60.705 61.300 -0.086 0.000 1.129 42 I CB 1.528 39.468 38.000 -0.100 0.000 1.288 42 I HN 0.443 nan 8.210 nan 0.000 0.444 43 L N 5.801 126.931 121.223 -0.155 0.000 2.317 43 L HA 0.524 4.865 4.340 0.001 0.000 0.281 43 L C -0.430 176.332 176.870 -0.180 0.000 1.024 43 L CA -0.676 54.117 54.840 -0.078 0.000 0.810 43 L CB 1.218 43.287 42.059 0.018 0.000 1.240 43 L HN 0.510 nan 8.230 nan 0.000 0.427 44 H N 1.944 121.068 119.070 0.090 0.000 2.489 44 H HA 0.713 5.269 4.556 0.001 0.000 0.343 44 H C -0.233 175.160 175.328 0.108 0.000 1.086 44 H CA -0.516 55.581 56.048 0.081 0.000 1.198 44 H CB 2.294 32.096 29.762 0.068 0.000 1.490 44 H HN 0.786 nan 8.280 nan 0.000 0.504 45 G N 1.248 110.177 108.800 0.214 0.000 2.667 45 G HA2 0.214 4.175 3.960 0.001 0.000 0.294 45 G HA3 0.214 4.175 3.960 0.001 0.000 0.294 45 G C -0.753 174.243 174.900 0.161 0.000 1.467 45 G CA -0.847 44.374 45.100 0.203 0.000 0.852 45 G HN 0.447 nan 8.290 nan 0.000 0.521 46 E N -0.629 119.661 120.200 0.149 0.000 2.539 46 E HA -0.277 4.073 4.350 0.001 0.000 0.253 46 E C 1.505 178.158 176.600 0.087 0.000 1.145 46 E CA 1.975 58.447 56.400 0.120 0.000 0.738 46 E CB -1.573 28.213 29.700 0.144 0.000 1.308 46 E HN 2.508 nan 8.360 nan 0.000 0.409 47 G N -1.943 106.909 108.800 0.087 0.000 2.184 47 G HA2 -0.369 3.592 3.960 0.001 0.000 0.264 47 G HA3 -0.369 3.592 3.960 0.001 0.000 0.264 47 G C 0.531 175.474 174.900 0.071 0.000 0.975 47 G CA 1.230 46.373 45.100 0.070 0.000 0.642 47 G HN 1.017 nan 8.290 nan 0.000 0.536 48 V N -2.871 117.088 119.914 0.075 0.000 3.182 48 V HA 0.978 5.099 4.120 0.001 0.000 0.311 48 V C -0.309 175.822 176.094 0.062 0.000 1.221 48 V CA -0.216 62.115 62.300 0.052 0.000 1.060 48 V CB 1.750 33.577 31.823 0.006 0.000 1.164 48 V HN 1.068 nan 8.190 nan 0.000 0.466 49 Q N 0.305 120.104 119.800 -0.002 0.000 2.389 49 Q HA 0.784 5.125 4.340 0.001 0.000 0.277 49 Q C -0.597 175.348 176.000 -0.092 0.000 1.082 49 Q CA -0.620 55.122 55.803 -0.102 0.000 0.810 49 Q CB 2.211 30.835 28.738 -0.190 0.000 1.374 49 Q HN 1.239 nan 8.270 nan 0.000 0.422 50 G N 0.864 109.604 108.800 -0.101 0.000 2.416 50 G HA2 0.607 4.568 3.960 0.001 0.000 0.329 50 G HA3 0.607 4.568 3.960 0.001 0.000 0.329 50 G C -1.095 173.790 174.900 -0.024 0.000 1.173 50 G CA -0.695 44.383 45.100 -0.037 0.000 0.929 50 G HN 0.427 nan 8.290 nan 0.000 0.475 51 V N 0.438 120.380 119.914 0.048 0.000 2.656 51 V HA 0.878 4.998 4.120 0.001 0.000 0.307 51 V C 0.188 176.389 176.094 0.178 0.000 1.051 51 V CA -0.596 61.744 62.300 0.068 0.000 0.893 51 V CB 1.259 33.109 31.823 0.045 0.000 0.999 51 V HN 1.254 nan 8.190 nan 0.000 0.426 52 A N 3.024 125.885 122.820 0.068 0.000 2.566 52 A HA 0.903 5.224 4.320 0.001 0.000 0.292 52 A C -1.074 176.482 177.584 -0.046 0.000 1.112 52 A CA -0.638 51.375 52.037 -0.041 0.000 0.707 52 A CB 2.065 20.985 19.000 -0.134 0.000 1.302 52 A HN 0.839 nan 8.150 nan 0.000 0.409 53 E N 0.552 120.698 120.200 -0.090 0.000 2.199 53 E HA 0.532 4.882 4.350 0.001 0.000 0.265 53 E C 0.044 176.608 176.600 -0.059 0.000 0.882 53 E CA -0.656 55.714 56.400 -0.051 0.000 0.759 53 E CB 1.643 31.325 29.700 -0.029 0.000 1.148 53 E HN 0.975 nan 8.360 nan 0.000 0.412 54 G N 1.569 110.349 108.800 -0.034 0.000 2.403 54 G HA2 0.188 4.148 3.960 0.001 0.000 0.259 54 G HA3 0.188 4.148 3.960 0.001 0.000 0.259 54 G C 0.603 175.488 174.900 -0.024 0.000 1.244 54 G CA -0.025 45.060 45.100 -0.025 0.000 0.849 54 G HN 0.589 nan 8.290 nan 0.000 0.532 55 T N 0.534 115.071 114.554 -0.028 0.000 3.129 55 T HA 0.211 4.561 4.350 0.001 0.000 0.267 55 T C 1.085 175.775 174.700 -0.017 0.000 1.018 55 T CA -0.482 61.597 62.100 -0.036 0.000 0.903 55 T CB -0.076 68.749 68.868 -0.070 0.000 1.067 55 T HN 0.533 nan 8.240 nan 0.000 0.549 56 M N 1.521 121.123 119.600 0.002 0.000 2.243 56 M HA 0.508 4.989 4.480 0.001 0.000 0.341 56 M C -0.614 175.691 176.300 0.009 0.000 1.130 56 M CA -0.009 55.300 55.300 0.014 0.000 1.162 56 M CB 0.194 32.801 32.600 0.012 0.000 1.497 56 M HN 0.135 nan 8.290 nan 0.000 0.456 57 E N 1.830 122.038 120.200 0.012 0.000 2.254 57 E HA 0.663 5.014 4.350 0.001 0.000 0.258 57 E C 0.870 177.473 176.600 0.005 0.000 1.033 57 E CA -0.562 55.845 56.400 0.011 0.000 0.893 57 E CB 0.899 30.608 29.700 0.015 0.000 1.204 57 E HN 0.744 nan 8.360 nan 0.000 0.425 58 A N 1.014 123.838 122.820 0.006 0.000 1.902 58 A HA -0.116 4.204 4.320 0.001 0.000 0.217 58 A C 0.844 178.425 177.584 -0.005 0.000 1.181 58 A CA 1.303 53.340 52.037 0.001 0.000 0.623 58 A CB -0.212 18.791 19.000 0.005 0.000 0.818 58 A HN 0.426 nan 8.150 nan 0.000 0.443 59 R N -0.684 119.813 120.500 -0.006 0.000 2.732 59 R HA 0.408 4.749 4.340 0.001 0.000 0.278 59 R C -2.860 173.425 176.300 -0.024 0.000 0.976 59 R CA -2.208 53.883 56.100 -0.015 0.000 0.963 59 R CB 1.121 31.414 30.300 -0.013 0.000 1.150 59 R HN 0.063 nan 8.270 nan 0.000 0.478 60 P HA 0.127 nan 4.420 nan 0.000 0.256 60 P C -0.492 176.739 177.300 -0.115 0.000 1.689 60 P CA 0.172 63.226 63.100 -0.078 0.000 1.124 60 P CB 0.527 32.172 31.700 -0.091 0.000 1.766 61 M N 1.302 120.854 119.600 -0.080 0.000 2.906 61 M HA 0.045 4.526 4.480 0.001 0.000 0.252 61 M C 1.922 178.156 176.300 -0.110 0.000 1.359 61 M CA 0.707 55.956 55.300 -0.084 0.000 1.239 61 M CB -0.395 32.192 32.600 -0.021 0.000 1.229 61 M HN 0.075 nan 8.290 nan 0.000 0.547 62 Y N 1.185 121.391 120.300 -0.157 0.000 2.200 62 Y HA 0.092 4.643 4.550 0.001 0.000 0.290 62 Y C 1.369 177.098 175.900 -0.285 0.000 1.137 62 Y CA 1.351 59.352 58.100 -0.164 0.000 1.163 62 Y CB 0.346 38.750 38.460 -0.093 0.000 0.988 62 Y HN -0.009 nan 8.280 nan 0.000 0.518 63 R N -0.929 119.346 120.500 -0.376 0.000 3.132 63 R HA 0.106 4.446 4.340 0.001 0.000 0.257 63 R C 1.123 177.197 176.300 -0.376 0.000 1.203 63 R CA 0.115 55.860 56.100 -0.591 0.000 1.008 63 R CB 0.585 30.639 30.300 -0.410 0.000 1.378 63 R HN 0.125 nan 8.270 nan 0.000 0.448 64 E N 0.842 120.875 120.200 -0.279 0.000 2.371 64 E HA 0.011 4.361 4.350 0.001 0.000 0.194 64 E C -0.620 175.946 176.600 -0.058 0.000 1.012 64 E CA 0.875 57.189 56.400 -0.143 0.000 0.860 64 E CB 0.303 29.986 29.700 -0.027 0.000 0.811 64 E HN 0.431 nan 8.360 nan 0.000 0.502 65 E N 1.142 121.322 120.200 -0.032 0.000 2.318 65 E HA 0.295 4.646 4.350 0.001 0.000 0.265 65 E C -0.200 176.392 176.600 -0.014 0.000 1.069 65 E CA -0.078 56.317 56.400 -0.008 0.000 0.893 65 E CB 1.259 30.967 29.700 0.014 0.000 1.076 65 E HN 0.255 nan 8.360 nan 0.000 0.414 66 T N -2.032 112.514 114.554 -0.015 0.000 2.906 66 T HA 0.376 4.727 4.350 0.001 0.000 0.295 66 T C 0.983 175.673 174.700 -0.017 0.000 1.075 66 T CA -0.758 61.333 62.100 -0.015 0.000 1.005 66 T CB 0.749 69.606 68.868 -0.019 0.000 1.136 66 T HN 0.392 nan 8.240 nan 0.000 0.498 67 I N 1.156 121.719 120.570 -0.013 0.000 2.163 67 I HA -0.129 4.041 4.170 0.001 0.000 0.243 67 I C 2.964 179.066 176.117 -0.024 0.000 1.085 67 I CA 1.900 63.191 61.300 -0.014 0.000 1.347 67 I CB -0.594 37.402 38.000 -0.007 0.000 1.044 67 I HN 0.907 nan 8.210 nan 0.000 0.408 68 A N 0.638 123.444 122.820 -0.024 0.000 1.898 68 A HA -0.105 4.216 4.320 0.001 0.000 0.216 68 A C 2.428 179.985 177.584 -0.046 0.000 1.181 68 A CA 1.804 53.822 52.037 -0.031 0.000 0.620 68 A CB -1.410 17.575 19.000 -0.025 0.000 0.819 68 A HN 0.462 nan 8.150 nan 0.000 0.442 69 G N -0.440 108.332 108.800 -0.047 0.000 2.421 69 G HA2 -0.005 3.956 3.960 0.001 0.000 0.216 69 G HA3 -0.005 3.956 3.960 0.001 0.000 0.216 69 G C 1.769 176.612 174.900 -0.095 0.000 1.171 69 G CA 1.524 46.585 45.100 -0.065 0.000 0.775 69 G HN 0.788 nan 8.290 nan 0.000 0.543 70 A N 0.523 123.299 122.820 -0.074 0.000 1.877 70 A HA 0.098 4.419 4.320 0.001 0.000 0.216 70 A C 2.445 179.962 177.584 -0.111 0.000 1.186 70 A CA 1.331 53.317 52.037 -0.085 0.000 0.620 70 A CB -0.400 18.579 19.000 -0.036 0.000 0.822 70 A HN 0.351 nan 8.150 nan 0.000 0.443 71 L N -0.818 120.359 121.223 -0.078 0.000 2.109 71 L HA -0.142 4.199 4.340 0.001 0.000 0.207 71 L C 2.344 179.152 176.870 -0.104 0.000 1.086 71 L CA 1.695 56.493 54.840 -0.069 0.000 0.760 71 L CB -0.648 41.392 42.059 -0.033 0.000 0.910 71 L HN 0.527 nan 8.230 nan 0.000 0.437 72 D N 0.362 120.695 120.400 -0.112 0.000 2.144 72 D HA -0.230 4.411 4.640 0.001 0.000 0.199 72 D C 2.119 178.288 176.300 -0.219 0.000 0.984 72 D CA 0.821 54.742 54.000 -0.131 0.000 0.834 72 D CB 0.161 40.897 40.800 -0.106 0.000 0.955 72 D HN 0.079 nan 8.370 nan 0.000 0.465 73 L N 0.161 121.207 121.223 -0.295 0.000 2.056 73 L HA 0.014 4.355 4.340 0.001 0.000 0.207 73 L C 2.068 178.559 176.870 -0.630 0.000 1.078 73 L CA 1.352 55.875 54.840 -0.530 0.000 0.749 73 L CB -0.570 41.115 42.059 -0.625 0.000 0.901 73 L HN 0.222 nan 8.230 nan 0.000 0.433 74 L N -0.360 120.623 121.223 -0.400 0.000 1.976 74 L HA -0.237 4.104 4.340 0.001 0.000 0.209 74 L C 2.842 179.583 176.870 -0.215 0.000 1.071 74 L CA 2.067 56.772 54.840 -0.225 0.000 0.746 74 L CB -0.575 41.432 42.059 -0.087 0.000 0.890 74 L HN 0.390 nan 8.230 nan 0.000 0.432 75 R N -0.162 120.204 120.500 -0.223 0.000 2.119 75 R HA -0.029 4.311 4.340 0.001 0.000 0.222 75 R C 1.988 178.140 176.300 -0.246 0.000 1.088 75 R CA 1.284 57.200 56.100 -0.307 0.000 0.984 75 R CB -0.682 29.505 30.300 -0.189 0.000 0.884 75 R HN 0.257 nan 8.270 nan 0.000 0.447 76 G N -0.764 107.915 108.800 -0.202 0.000 2.683 76 G HA2 0.007 3.968 3.960 0.001 0.000 0.213 76 G HA3 0.007 3.968 3.960 0.001 0.000 0.213 76 G C 0.689 175.489 174.900 -0.167 0.000 1.142 76 G CA 0.794 45.797 45.100 -0.162 0.000 0.793 76 G HN 0.380 nan 8.290 nan 0.000 0.534 77 T N -0.633 113.787 114.554 -0.222 0.000 3.467 77 T HA 0.170 4.521 4.350 0.001 0.000 0.258 77 T C 1.624 176.342 174.700 0.030 0.000 0.999 77 T CA -0.258 61.727 62.100 -0.193 0.000 1.148 77 T CB -0.071 68.503 68.868 -0.490 0.000 1.186 77 T HN -0.028 nan 8.240 nan 0.000 0.401 78 F N 2.115 121.982 119.950 -0.139 0.000 2.146 78 F HA 0.256 4.783 4.527 0.001 0.000 0.298 78 F C 2.162 177.933 175.800 -0.048 0.000 1.096 78 F CA 0.250 58.205 58.000 -0.076 0.000 1.275 78 F CB -1.173 37.783 39.000 -0.074 0.000 1.008 78 F HN 0.087 nan 8.300 nan 0.000 0.480 79 L N -0.253 121.032 121.223 0.102 0.000 2.027 79 L HA -0.127 4.213 4.340 0.001 0.000 0.206 79 L C -0.282 176.612 176.870 0.041 0.000 1.074 79 L CA 1.279 56.140 54.840 0.034 0.000 0.745 79 L CB -2.044 39.959 42.059 -0.092 0.000 0.898 79 L HN 0.027 nan 8.230 nan 0.000 0.433 80 P HA -0.160 nan 4.420 nan 0.000 0.221 80 P C 1.238 178.583 177.300 0.076 0.000 1.145 80 P CA 1.526 64.648 63.100 0.036 0.000 0.795 80 P CB 0.013 31.721 31.700 0.013 0.000 0.775 81 A N -0.514 122.371 122.820 0.109 0.000 2.016 81 A HA -0.054 4.267 4.320 0.001 0.000 0.217 81 A C 1.979 179.662 177.584 0.165 0.000 1.162 81 A CA 1.166 53.283 52.037 0.134 0.000 0.662 81 A CB -1.134 17.969 19.000 0.172 0.000 0.812 81 A HN 0.353 nan 8.150 nan 0.000 0.450 82 I N -4.074 116.606 120.570 0.184 0.000 4.139 82 I HA 0.336 4.507 4.170 0.001 0.000 0.320 82 I C -0.045 176.229 176.117 0.262 0.000 1.290 82 I CA -0.278 61.213 61.300 0.318 0.000 1.253 82 I CB -0.034 38.089 38.000 0.205 0.000 1.122 82 I HN -0.067 nan 8.210 nan 0.000 0.421 83 L N 3.553 124.873 121.223 0.160 0.000 2.462 83 L HA 0.313 4.654 4.340 0.001 0.000 0.272 83 L C 1.394 178.316 176.870 0.088 0.000 1.166 83 L CA 1.186 56.106 54.840 0.133 0.000 0.880 83 L CB 0.508 42.634 42.059 0.112 0.000 1.142 83 L HN 0.596 nan 8.230 nan 0.000 0.473 84 G N 1.401 110.245 108.800 0.073 0.000 2.241 84 G HA2 -0.208 3.752 3.960 0.001 0.000 0.244 84 G HA3 -0.208 3.752 3.960 0.001 0.000 0.244 84 G C 0.343 175.209 174.900 -0.057 0.000 0.998 84 G CA -0.457 44.653 45.100 0.016 0.000 0.621 84 G HN 0.498 nan 8.290 nan 0.000 0.519 85 Q N 0.788 120.526 119.800 -0.102 0.000 2.312 85 Q HA 0.603 4.944 4.340 0.001 0.000 0.236 85 Q C -0.137 175.507 176.000 -0.593 0.000 0.965 85 Q CA 0.274 55.845 55.803 -0.386 0.000 0.894 85 Q CB 1.176 29.585 28.738 -0.548 0.000 1.225 85 Q HN 0.235 nan 8.270 nan 0.000 0.478 86 T N 2.007 116.102 114.554 -0.765 0.000 2.823 86 T HA 0.668 5.019 4.350 0.001 0.000 0.279 86 T C -0.807 173.307 174.700 -0.976 0.000 0.998 86 T CA -0.271 61.449 62.100 -0.633 0.000 0.994 86 T CB 0.275 68.941 68.868 -0.338 0.000 0.960 86 T HN 0.243 nan 8.240 nan 0.000 0.448 87 F N 0.336 119.895 119.950 -0.652 0.000 2.576 87 F HA 0.608 5.136 4.527 0.001 0.000 0.313 87 F C 0.960 176.269 175.800 -0.817 0.000 1.078 87 F CA -1.184 56.339 58.000 -0.794 0.000 0.921 87 F CB 1.640 39.984 39.000 -1.094 0.000 1.232 87 F HN 0.633 nan 8.300 nan 0.000 0.459 88 A N 1.810 124.426 122.820 -0.340 0.000 1.984 88 A HA 0.198 4.518 4.320 0.001 0.000 0.214 88 A C 0.260 177.541 177.584 -0.506 0.000 1.173 88 A CA 0.813 52.672 52.037 -0.297 0.000 0.673 88 A CB -0.441 18.448 19.000 -0.185 0.000 0.830 88 A HN 0.843 nan 8.150 nan 0.000 0.453 89 N N -3.071 115.320 118.700 -0.515 0.000 3.116 89 N HA 0.231 4.972 4.740 0.001 0.000 0.244 89 N C -3.003 172.176 175.510 -0.552 0.000 1.485 89 N CA -1.491 51.050 53.050 -0.848 0.000 0.884 89 N CB 0.827 38.851 38.487 -0.771 0.000 1.415 89 N HN -0.311 nan 8.380 nan 0.000 0.524 90 P HA -0.070 nan 4.420 nan 0.000 0.218 90 P C 0.647 177.685 177.300 -0.437 0.000 1.149 90 P CA 1.368 64.067 63.100 -0.669 0.000 0.817 90 P CB 0.178 31.040 31.700 -1.396 0.000 0.785 91 E N -0.105 119.883 120.200 -0.352 0.000 2.110 91 E HA -0.142 4.208 4.350 0.001 0.000 0.193 91 E C 2.148 178.656 176.600 -0.154 0.000 0.988 91 E CA 1.550 57.857 56.400 -0.155 0.000 0.804 91 E CB -1.082 28.575 29.700 -0.073 0.000 0.745 91 E HN 0.157 nan 8.360 nan 0.000 0.458 92 A N 0.364 123.076 122.820 -0.181 0.000 1.969 92 A HA -0.125 4.195 4.320 0.001 0.000 0.218 92 A C 2.402 179.902 177.584 -0.139 0.000 1.169 92 A CA 1.127 53.108 52.037 -0.094 0.000 0.635 92 A CB -0.498 18.482 19.000 -0.033 0.000 0.810 92 A HN 0.152 nan 8.150 nan 0.000 0.445 93 V N -0.235 119.427 119.914 -0.420 0.000 2.358 93 V HA -0.198 3.923 4.120 0.001 0.000 0.246 93 V C 2.739 178.612 176.094 -0.370 0.000 1.047 93 V CA 2.285 64.146 62.300 -0.730 0.000 1.035 93 V CB -0.741 30.617 31.823 -0.775 0.000 0.658 93 V HN 0.549 nan 8.190 nan 0.000 0.452 94 S N -0.099 115.450 115.700 -0.250 0.000 2.383 94 S HA -0.226 4.245 4.470 0.001 0.000 0.227 94 S C 1.811 176.328 174.600 -0.139 0.000 1.026 94 S CA 1.653 59.743 58.200 -0.183 0.000 0.981 94 S CB -0.393 62.743 63.200 -0.106 0.000 0.818 94 S HN 0.788 nan 8.310 nan 0.000 0.472 95 D N 1.721 122.063 120.400 -0.097 0.000 2.178 95 D HA -0.022 4.619 4.640 0.001 0.000 0.201 95 D C 1.719 178.000 176.300 -0.032 0.000 0.980 95 D CA 1.064 55.032 54.000 -0.052 0.000 0.842 95 D CB -0.238 40.542 40.800 -0.034 0.000 0.948 95 D HN 0.332 nan 8.370 nan 0.000 0.472 96 A N -0.437 122.376 122.820 -0.012 0.000 2.248 96 A HA 0.076 4.397 4.320 0.001 0.000 0.210 96 A C 1.808 179.408 177.584 0.026 0.000 1.174 96 A CA 0.551 52.617 52.037 0.048 0.000 0.750 96 A CB -0.455 18.653 19.000 0.180 0.000 0.780 96 A HN 0.425 nan 8.150 nan 0.000 0.478 97 L N -2.187 119.005 121.223 -0.052 0.000 2.664 97 L HA 0.215 4.555 4.340 0.001 0.000 0.233 97 L C 2.174 179.082 176.870 0.063 0.000 1.113 97 L CA 0.434 55.249 54.840 -0.042 0.000 0.896 97 L CB -0.030 41.757 42.059 -0.452 0.000 1.163 97 L HN 0.337 nan 8.230 nan 0.000 0.497 98 G N -0.120 108.670 108.800 -0.016 0.000 2.679 98 G HA2 -0.131 3.830 3.960 0.001 0.000 0.212 98 G HA3 -0.131 3.830 3.960 0.001 0.000 0.212 98 G C 1.485 176.346 174.900 -0.065 0.000 1.137 98 G CA 0.685 45.767 45.100 -0.031 0.000 0.787 98 G HN 0.334 nan 8.290 nan 0.000 0.534 99 S N -0.009 115.569 115.700 -0.204 0.000 2.370 99 S HA -0.066 4.404 4.470 0.001 0.000 0.226 99 S C 0.735 175.185 174.600 -0.251 0.000 1.033 99 S CA 0.587 58.580 58.200 -0.345 0.000 1.011 99 S CB -0.316 62.507 63.200 -0.627 0.000 0.852 99 S HN 0.462 nan 8.310 nan 0.000 0.457 100 Y N 2.240 122.594 120.300 0.089 0.000 2.397 100 Y HA 0.275 4.826 4.550 0.001 0.000 0.335 100 Y C 1.139 177.099 175.900 0.100 0.000 1.213 100 Y CA -0.543 57.629 58.100 0.119 0.000 1.391 100 Y CB 0.438 39.033 38.460 0.224 0.000 1.293 100 Y HN -0.056 nan 8.280 nan 0.000 0.557 101 R N 1.888 122.524 120.500 0.228 0.000 2.404 101 R HA 0.404 4.744 4.340 0.001 0.000 0.291 101 R C 0.843 177.231 176.300 0.146 0.000 1.025 101 R CA 0.136 56.320 56.100 0.140 0.000 0.991 101 R CB 0.917 31.276 30.300 0.099 0.000 1.053 101 R HN 0.984 nan 8.270 nan 0.000 0.479 102 G N 2.811 111.680 108.800 0.115 0.000 2.614 102 G HA2 -0.459 3.501 3.960 0.001 0.000 0.303 102 G HA3 -0.459 3.501 3.960 0.001 0.000 0.303 102 G C -0.143 174.839 174.900 0.135 0.000 1.270 102 G CA 0.686 45.850 45.100 0.108 0.000 0.988 102 G HN 0.858 nan 8.290 nan 0.000 0.551 103 N N -0.614 118.156 118.700 0.117 0.000 2.714 103 N HA -0.193 4.547 4.740 0.001 0.000 0.252 103 N C 1.271 176.869 175.510 0.146 0.000 1.014 103 N CA 1.289 54.413 53.050 0.124 0.000 0.735 103 N CB -0.441 38.126 38.487 0.133 0.000 0.924 103 N HN 0.707 nan 8.380 nan 0.000 0.540 104 R N -0.040 120.524 120.500 0.106 0.000 2.075 104 R HA 0.017 4.358 4.340 0.001 0.000 0.232 104 R C 1.866 178.210 176.300 0.073 0.000 1.126 104 R CA 1.637 57.788 56.100 0.086 0.000 0.963 104 R CB -0.128 30.212 30.300 0.066 0.000 0.858 104 R HN 0.455 nan 8.270 nan 0.000 0.435 105 M N 0.125 119.766 119.600 0.068 0.000 2.117 105 M HA -0.144 4.336 4.480 0.001 0.000 0.262 105 M C 2.562 178.899 176.300 0.063 0.000 1.065 105 M CA 1.780 57.108 55.300 0.047 0.000 1.114 105 M CB -0.404 32.221 32.600 0.042 0.000 1.361 105 M HN 0.231 nan 8.290 nan 0.000 0.408 106 A N 0.662 123.542 122.820 0.100 0.000 1.883 106 A HA -0.190 4.130 4.320 0.001 0.000 0.217 106 A C 2.161 179.901 177.584 0.260 0.000 1.186 106 A CA 1.780 53.907 52.037 0.151 0.000 0.624 106 A CB -0.716 18.360 19.000 0.127 0.000 0.822 106 A HN 0.428 nan 8.150 nan 0.000 0.444 107 R N -0.676 119.993 120.500 0.281 0.000 2.091 107 R HA -0.144 4.197 4.340 0.001 0.000 0.238 107 R C 2.427 178.736 176.300 0.014 0.000 1.136 107 R CA 1.312 57.462 56.100 0.083 0.000 0.959 107 R CB -0.493 29.801 30.300 -0.009 0.000 0.856 107 R HN 0.533 nan 8.270 nan 0.000 0.437 108 A N 0.714 123.549 122.820 0.024 0.000 2.019 108 A HA -0.162 4.159 4.320 0.001 0.000 0.219 108 A C 2.112 179.681 177.584 -0.026 0.000 1.164 108 A CA 1.245 53.273 52.037 -0.016 0.000 0.644 108 A CB -0.382 18.591 19.000 -0.045 0.000 0.805 108 A HN 0.217 nan 8.150 nan 0.000 0.449 109 M N -0.849 118.752 119.600 0.001 0.000 2.086 109 M HA -0.152 4.329 4.480 0.001 0.000 0.261 109 M C 2.084 178.390 176.300 0.011 0.000 1.067 109 M CA 1.587 56.885 55.300 -0.004 0.000 1.116 109 M CB -0.423 32.193 32.600 0.025 0.000 1.348 109 M HN 0.276 nan 8.290 nan 0.000 0.407 110 V N -0.191 119.738 119.914 0.025 0.000 2.323 110 V HA -0.209 3.911 4.120 0.001 0.000 0.244 110 V C 2.391 178.475 176.094 -0.017 0.000 1.041 110 V CA 1.734 64.033 62.300 -0.002 0.000 1.025 110 V CB -0.777 31.023 31.823 -0.038 0.000 0.656 110 V HN 0.472 nan 8.190 nan 0.000 0.451 111 E N 0.057 120.249 120.200 -0.013 0.000 2.077 111 E HA -0.219 4.132 4.350 0.001 0.000 0.193 111 E C 2.167 178.888 176.600 0.202 0.000 0.989 111 E CA 1.714 58.139 56.400 0.043 0.000 0.800 111 E CB -0.096 29.642 29.700 0.063 0.000 0.746 111 E HN 0.574 nan 8.360 nan 0.000 0.452 112 M N -0.375 119.325 119.600 0.167 0.000 2.236 112 M HA -0.022 4.459 4.480 0.001 0.000 0.266 112 M C 2.426 178.905 176.300 0.299 0.000 1.070 112 M CA 1.130 56.593 55.300 0.272 0.000 1.137 112 M CB -0.119 32.418 32.600 -0.104 0.000 1.378 112 M HN 0.065 nan 8.290 nan 0.000 0.426 113 A N 0.783 123.685 122.820 0.136 0.000 1.902 113 A HA -0.082 4.239 4.320 0.001 0.000 0.217 113 A C 2.393 180.036 177.584 0.098 0.000 1.181 113 A CA 1.953 54.062 52.037 0.120 0.000 0.623 113 A CB -0.942 18.087 19.000 0.048 0.000 0.818 113 A HN 0.478 nan 8.150 nan 0.000 0.443 114 A N -1.438 121.418 122.820 0.061 0.000 1.908 114 A HA -0.206 4.115 4.320 0.001 0.000 0.218 114 A C 2.001 179.565 177.584 -0.034 0.000 1.181 114 A CA 1.466 53.485 52.037 -0.031 0.000 0.627 114 A CB -0.957 17.979 19.000 -0.107 0.000 0.818 114 A HN 0.756 nan 8.150 nan 0.000 0.445 115 W N -0.199 121.151 121.300 0.085 0.000 2.358 115 W HA -0.146 4.514 4.660 0.000 0.000 0.303 115 W C 2.084 178.623 176.519 0.034 0.000 1.208 115 W CA 1.352 58.768 57.345 0.118 0.000 1.274 115 W CB -0.099 29.443 29.460 0.137 0.000 1.138 115 W HN 0.474 nan 8.180 nan 0.000 0.515 116 D N -0.166 120.390 120.400 0.260 0.000 2.117 116 D HA -0.175 4.466 4.640 0.001 0.000 0.198 116 D C 2.031 178.322 176.300 -0.015 0.000 0.982 116 D CA 1.161 55.201 54.000 0.067 0.000 0.828 116 D CB -0.416 40.433 40.800 0.081 0.000 0.967 116 D HN -0.001 nan 8.370 nan 0.000 0.464 117 L N 0.552 121.756 121.223 -0.032 0.000 1.994 117 L HA -0.073 4.268 4.340 0.001 0.000 0.208 117 L C 2.213 178.974 176.870 -0.181 0.000 1.071 117 L CA 1.836 56.608 54.840 -0.114 0.000 0.745 117 L CB -1.019 40.954 42.059 -0.143 0.000 0.892 117 L HN 0.384 nan 8.230 nan 0.000 0.431 118 W N 0.304 121.287 121.300 -0.529 0.000 2.333 118 W HA -0.308 4.353 4.660 0.002 0.000 0.316 118 W C 2.144 178.510 176.519 -0.254 0.000 1.215 118 W CA 1.673 58.660 57.345 -0.597 0.000 1.278 118 W CB -0.230 28.845 29.460 -0.641 0.000 1.154 118 W HN 0.346 nan 8.180 nan 0.000 0.486 119 A N 1.270 123.939 122.820 -0.251 0.000 1.908 119 A HA -0.232 4.088 4.320 0.001 0.000 0.218 119 A C 1.970 179.387 177.584 -0.280 0.000 1.181 119 A CA 2.005 53.844 52.037 -0.330 0.000 0.627 119 A CB -0.939 17.979 19.000 -0.138 0.000 0.818 119 A HN 0.451 nan 8.150 nan 0.000 0.445 120 R N -0.634 119.753 120.500 -0.190 0.000 2.148 120 R HA -0.066 4.274 4.340 0.001 0.000 0.223 120 R C 2.343 178.561 176.300 -0.137 0.000 1.088 120 R CA 1.565 57.579 56.100 -0.143 0.000 0.985 120 R CB -0.534 29.707 30.300 -0.098 0.000 0.880 120 R HN 0.776 nan 8.270 nan 0.000 0.451 121 T N -1.127 113.331 114.554 -0.160 0.000 2.915 121 T HA -0.023 4.328 4.350 0.001 0.000 0.269 121 T C 1.762 176.361 174.700 -0.169 0.000 1.071 121 T CA 0.828 62.862 62.100 -0.110 0.000 1.132 121 T CB -0.062 68.792 68.868 -0.024 0.000 0.878 121 T HN 0.143 nan 8.240 nan 0.000 0.479 122 L N 0.355 121.392 121.223 -0.311 0.000 2.446 122 L HA 0.347 4.688 4.340 0.001 0.000 0.219 122 L C 2.087 178.840 176.870 -0.195 0.000 1.116 122 L CA 0.488 55.143 54.840 -0.309 0.000 0.844 122 L CB -0.661 41.088 42.059 -0.517 0.000 0.970 122 L HN 0.587 nan 8.230 nan 0.000 0.457 123 G N 0.981 109.680 108.800 -0.168 0.000 2.176 123 G HA2 -0.230 3.730 3.960 0.001 0.000 0.252 123 G HA3 -0.230 3.730 3.960 0.001 0.000 0.252 123 G C -0.082 174.750 174.900 -0.112 0.000 1.024 123 G CA 0.146 45.177 45.100 -0.115 0.000 0.755 123 G HN 0.140 nan 8.290 nan 0.000 0.507 124 V N 0.650 120.475 119.914 -0.148 0.000 2.604 124 V HA 0.536 4.656 4.120 0.001 0.000 0.305 124 V C -1.886 174.142 176.094 -0.110 0.000 1.043 124 V CA -1.951 60.277 62.300 -0.120 0.000 0.888 124 V CB 2.236 33.974 31.823 -0.142 0.000 0.995 124 V HN 0.076 nan 8.190 nan 0.000 0.429 125 P HA 0.030 nan 4.420 nan 0.000 0.266 125 P C 0.636 177.888 177.300 -0.080 0.000 1.195 125 P CA -0.093 62.984 63.100 -0.039 0.000 0.768 125 P CB 0.640 32.380 31.700 0.067 0.000 0.838 126 L N 4.496 125.577 121.223 -0.237 0.000 2.012 126 L HA -0.102 4.239 4.340 0.001 0.000 0.210 126 L C 2.250 179.028 176.870 -0.153 0.000 1.073 126 L CA 2.699 57.372 54.840 -0.279 0.000 0.748 126 L CB -1.723 39.988 42.059 -0.580 0.000 0.891 126 L HN 0.520 nan 8.230 nan 0.000 0.431 127 G N -1.963 106.901 108.800 0.106 0.000 2.440 127 G HA2 -0.278 3.683 3.960 0.001 0.000 0.218 127 G HA3 -0.278 3.683 3.960 0.001 0.000 0.218 127 G C 1.441 176.319 174.900 -0.037 0.000 1.154 127 G CA 1.271 46.374 45.100 0.004 0.000 0.767 127 G HN 0.457 nan 8.290 nan 0.000 0.552 128 T N 1.247 115.805 114.554 0.006 0.000 2.684 128 T HA -0.065 4.286 4.350 0.001 0.000 0.267 128 T C 2.371 177.077 174.700 0.009 0.000 1.036 128 T CA 0.959 63.066 62.100 0.012 0.000 1.148 128 T CB -0.218 68.657 68.868 0.012 0.000 0.863 128 T HN 0.149 nan 8.240 nan 0.000 0.436 129 L N 0.328 121.549 121.223 -0.004 0.000 2.201 129 L HA 0.039 4.380 4.340 0.001 0.000 0.212 129 L C 2.122 179.016 176.870 0.041 0.000 1.105 129 L CA 0.880 55.758 54.840 0.063 0.000 0.775 129 L CB -0.363 41.793 42.059 0.162 0.000 0.913 129 L HN 0.283 nan 8.230 nan 0.000 0.440 130 L N -0.900 120.252 121.223 -0.117 0.000 2.554 130 L HA 0.092 4.432 4.340 0.001 0.000 0.226 130 L C 1.458 178.299 176.870 -0.048 0.000 1.137 130 L CA 0.694 55.428 54.840 -0.176 0.000 0.863 130 L CB -0.331 41.525 42.059 -0.338 0.000 0.985 130 L HN 0.479 nan 8.230 nan 0.000 0.451 131 G N -0.363 108.438 108.800 0.002 0.000 2.163 131 G HA2 -0.187 3.773 3.960 0.001 0.000 0.213 131 G HA3 -0.187 3.773 3.960 0.001 0.000 0.213 131 G C 0.492 175.436 174.900 0.072 0.000 0.991 131 G CA -0.323 44.814 45.100 0.062 0.000 0.653 131 G HN 0.483 nan 8.290 nan 0.000 0.518 132 G N -0.465 108.333 108.800 -0.003 0.000 2.503 132 G HA2 0.610 4.571 3.960 0.001 0.000 0.257 132 G HA3 0.610 4.571 3.960 0.001 0.000 0.257 132 G C 0.118 175.028 174.900 0.017 0.000 1.214 132 G CA 0.218 45.281 45.100 -0.060 0.000 0.839 132 G HN 1.365 nan 8.290 nan 0.000 0.559 133 H N -1.916 117.144 119.070 -0.016 0.000 2.904 133 H HA 0.359 4.916 4.556 0.001 0.000 0.242 133 H C 0.103 175.417 175.328 -0.023 0.000 1.193 133 H CA -0.682 55.355 56.048 -0.018 0.000 0.946 133 H CB -0.105 29.655 29.762 -0.004 0.000 2.135 133 H HN 0.289 nan 8.280 nan 0.000 0.652 134 K N 1.051 121.365 120.400 -0.143 0.000 2.218 134 K HA 0.130 4.451 4.320 0.001 0.000 0.276 134 K C 0.051 176.609 176.600 -0.071 0.000 1.022 134 K CA -0.192 56.040 56.287 -0.092 0.000 0.946 134 K CB 1.420 33.851 32.500 -0.114 0.000 1.000 134 K HN 0.447 nan 8.250 nan 0.000 0.468 135 E N 1.239 121.411 120.200 -0.046 0.000 2.472 135 E HA -0.014 4.336 4.350 0.001 0.000 0.196 135 E C -0.156 176.401 176.600 -0.072 0.000 1.033 135 E CA 0.369 56.735 56.400 -0.057 0.000 0.886 135 E CB 0.593 30.276 29.700 -0.029 0.000 0.944 135 E HN 0.384 nan 8.360 nan 0.000 0.492 136 Q N 0.106 119.866 119.800 -0.067 0.000 2.435 136 Q HA 0.414 4.755 4.340 0.001 0.000 0.282 136 Q C -1.669 174.297 176.000 -0.058 0.000 1.020 136 Q CA -0.853 54.913 55.803 -0.062 0.000 0.820 136 Q CB 3.221 31.935 28.738 -0.041 0.000 1.436 136 Q HN 0.043 nan 8.270 nan 0.000 0.395 137 V N -1.599 118.284 119.914 -0.051 0.000 2.709 137 V HA 0.581 4.702 4.120 0.001 0.000 0.308 137 V C -0.630 175.465 176.094 0.002 0.000 1.062 137 V CA -0.834 61.446 62.300 -0.033 0.000 0.901 137 V CB 1.870 33.652 31.823 -0.068 0.000 1.003 137 V HN 0.738 nan 8.190 nan 0.000 0.425 138 E N 2.581 122.798 120.200 0.029 0.000 2.373 138 E HA 0.506 4.856 4.350 0.001 0.000 0.267 138 E C -0.343 176.301 176.600 0.074 0.000 1.032 138 E CA -0.367 56.059 56.400 0.043 0.000 0.889 138 E CB 1.973 31.702 29.700 0.049 0.000 0.984 138 E HN 0.942 nan 8.360 nan 0.000 0.425 139 V N -0.717 119.250 119.914 0.088 0.000 2.680 139 V HA 0.854 4.974 4.120 0.001 0.000 0.309 139 V C 0.190 176.409 176.094 0.209 0.000 1.052 139 V CA -0.738 61.651 62.300 0.147 0.000 0.908 139 V CB 1.690 33.615 31.823 0.170 0.000 1.001 139 V HN 0.691 nan 8.190 nan 0.000 0.431 140 G N 0.818 109.697 108.800 0.131 0.000 2.667 140 G HA2 0.723 4.683 3.960 0.001 0.000 0.310 140 G HA3 0.723 4.683 3.960 0.001 0.000 0.310 140 G C -1.228 173.531 174.900 -0.234 0.000 1.259 140 G CA -0.801 44.301 45.100 0.004 0.000 1.019 140 G HN 1.309 nan 8.290 nan 0.000 0.496 141 V N -0.782 118.823 119.914 -0.515 0.000 2.876 141 V HA 0.725 4.846 4.120 0.001 0.000 0.312 141 V C -0.604 175.232 176.094 -0.431 0.000 1.085 141 V CA -0.642 61.202 62.300 -0.760 0.000 0.945 141 V CB 2.386 33.277 31.823 -1.553 0.000 1.017 141 V HN 0.765 nan 8.190 nan 0.000 0.428 142 S N 6.362 121.874 115.700 -0.314 0.000 2.449 142 S HA 0.726 5.197 4.470 0.001 0.000 0.310 142 S C -0.917 173.604 174.600 -0.132 0.000 1.096 142 S CA -0.413 57.695 58.200 -0.154 0.000 1.095 142 S CB 1.251 64.424 63.200 -0.045 0.000 1.007 142 S HN 0.495 nan 8.310 nan 0.000 0.474 143 L N 2.926 124.108 121.223 -0.069 0.000 2.307 143 L HA 0.587 4.928 4.340 0.001 0.000 0.284 143 L C 1.040 177.931 176.870 0.035 0.000 1.023 143 L CA 0.010 54.848 54.840 -0.003 0.000 0.810 143 L CB 1.010 43.087 42.059 0.031 0.000 1.231 143 L HN 0.791 nan 8.230 nan 0.000 0.423 144 G N 3.308 112.134 108.800 0.044 0.000 2.651 144 G HA2 0.306 4.266 3.960 0.001 0.000 0.260 144 G HA3 0.306 4.266 3.960 0.001 0.000 0.260 144 G C 0.183 175.139 174.900 0.093 0.000 1.216 144 G CA -0.744 44.393 45.100 0.061 0.000 0.913 144 G HN 0.484 nan 8.290 nan 0.000 0.535 145 I N 1.119 121.750 120.570 0.102 0.000 2.668 145 I HA 0.017 4.187 4.170 0.001 0.000 0.285 145 I C 0.310 176.461 176.117 0.057 0.000 1.168 145 I CA 0.251 61.631 61.300 0.134 0.000 1.424 145 I CB 0.476 38.519 38.000 0.072 0.000 1.377 145 I HN 0.374 nan 8.210 nan 0.000 0.560 146 Q N 4.589 124.454 119.800 0.108 0.000 2.194 146 Q HA 0.427 4.767 4.340 0.001 0.000 0.245 146 Q C 0.854 176.772 176.000 -0.136 0.000 0.993 146 Q CA -0.546 55.274 55.803 0.028 0.000 0.930 146 Q CB 1.210 30.011 28.738 0.104 0.000 1.238 146 Q HN 0.726 nan 8.270 nan 0.000 0.486 147 A N 0.339 123.080 122.820 -0.131 0.000 2.014 147 A HA -0.066 4.254 4.320 0.001 0.000 0.218 147 A C 0.086 177.487 177.584 -0.306 0.000 1.163 147 A CA 1.965 53.862 52.037 -0.234 0.000 0.652 147 A CB -0.158 18.764 19.000 -0.130 0.000 0.808 147 A HN 0.790 nan 8.150 nan 0.000 0.449 148 D N -4.327 116.027 120.400 -0.077 0.000 2.779 148 D HA 0.213 4.853 4.640 0.001 0.000 0.331 148 D C 0.193 176.732 176.300 0.399 0.000 1.331 148 D CA -0.333 53.745 54.000 0.130 0.000 0.866 148 D CB -0.169 40.672 40.800 0.068 0.000 1.409 148 D HN -0.047 nan 8.370 nan 0.000 0.486 149 E N -0.866 119.575 120.200 0.401 0.000 2.031 149 E HA -0.194 4.156 4.350 0.001 0.000 0.193 149 E C 1.616 178.296 176.600 0.133 0.000 0.994 149 E CA 1.167 57.703 56.400 0.226 0.000 0.800 149 E CB -0.039 29.728 29.700 0.111 0.000 0.752 149 E HN 0.371 nan 8.360 nan 0.000 0.447 150 Q N -0.152 119.708 119.800 0.100 0.000 2.167 150 Q HA -0.091 4.250 4.340 0.001 0.000 0.202 150 Q C 2.124 178.164 176.000 0.067 0.000 0.970 150 Q CA 1.200 57.041 55.803 0.063 0.000 0.855 150 Q CB -0.117 28.647 28.738 0.042 0.000 0.911 150 Q HN 0.234 nan 8.270 nan 0.000 0.438 151 A N 0.071 122.938 122.820 0.078 0.000 1.969 151 A HA -0.105 4.215 4.320 0.001 0.000 0.218 151 A C 2.257 179.888 177.584 0.079 0.000 1.169 151 A CA 1.620 53.695 52.037 0.062 0.000 0.635 151 A CB -0.466 18.562 19.000 0.046 0.000 0.810 151 A HN 0.313 nan 8.150 nan 0.000 0.445 152 T N -0.373 114.255 114.554 0.124 0.000 2.737 152 T HA -0.098 4.253 4.350 0.001 0.000 0.265 152 T C 1.901 176.656 174.700 0.092 0.000 1.038 152 T CA 1.587 63.762 62.100 0.124 0.000 1.144 152 T CB -0.367 68.599 68.868 0.164 0.000 0.866 152 T HN 0.154 nan 8.240 nan 0.000 0.434 153 V N 1.731 121.703 119.914 0.097 0.000 2.343 153 V HA -0.193 3.928 4.120 0.001 0.000 0.247 153 V C 2.322 178.498 176.094 0.137 0.000 1.051 153 V CA 2.039 64.419 62.300 0.134 0.000 1.036 153 V CB -0.683 31.200 31.823 0.100 0.000 0.654 153 V HN 0.514 nan 8.190 nan 0.000 0.451 154 D N -0.309 120.139 120.400 0.079 0.000 2.104 154 D HA -0.219 4.422 4.640 0.001 0.000 0.194 154 D C 1.966 178.269 176.300 0.006 0.000 0.994 154 D CA 1.403 55.432 54.000 0.047 0.000 0.830 154 D CB -0.099 40.715 40.800 0.022 0.000 0.959 154 D HN 0.267 nan 8.370 nan 0.000 0.452 155 L N -0.177 121.040 121.223 -0.010 0.000 2.093 155 L HA -0.046 4.295 4.340 0.001 0.000 0.208 155 L C 2.254 179.065 176.870 -0.098 0.000 1.085 155 L CA 1.061 55.847 54.840 -0.089 0.000 0.755 155 L CB -0.422 41.618 42.059 -0.032 0.000 0.904 155 L HN 0.044 nan 8.230 nan 0.000 0.435 156 V N -0.219 119.692 119.914 -0.005 0.000 2.332 156 V HA -0.327 3.793 4.120 0.001 0.000 0.248 156 V C 2.768 178.772 176.094 -0.149 0.000 1.055 156 V CA 2.153 64.420 62.300 -0.056 0.000 1.038 156 V CB -0.698 31.090 31.823 -0.059 0.000 0.651 156 V HN 0.486 nan 8.190 nan 0.000 0.450 157 R N -0.153 120.349 120.500 0.003 0.000 2.081 157 R HA -0.178 4.163 4.340 0.001 0.000 0.235 157 R C 2.565 178.863 176.300 -0.003 0.000 1.131 157 R CA 1.688 57.852 56.100 0.108 0.000 0.960 157 R CB -0.290 30.173 30.300 0.272 0.000 0.856 157 R HN 0.462 nan 8.270 nan 0.000 0.436 158 R N -0.433 120.020 120.500 -0.079 0.000 2.083 158 R HA -0.201 4.139 4.340 0.001 0.000 0.237 158 R C 1.656 177.900 176.300 -0.095 0.000 1.137 158 R CA 2.278 58.295 56.100 -0.138 0.000 0.951 158 R CB -0.361 29.771 30.300 -0.280 0.000 0.851 158 R HN 0.486 nan 8.270 nan 0.000 0.434 159 H N -0.866 118.207 119.070 0.006 0.000 2.436 159 H HA -0.001 4.555 4.556 0.001 0.000 0.294 159 H C 2.102 177.481 175.328 0.086 0.000 1.048 159 H CA 0.948 57.055 56.048 0.097 0.000 1.353 159 H CB 0.348 30.108 29.762 -0.003 0.000 1.414 159 H HN -0.001 nan 8.280 nan 0.000 0.536 160 V N 0.842 120.769 119.914 0.022 0.000 2.343 160 V HA -0.239 3.882 4.120 0.001 0.000 0.247 160 V C 2.264 178.359 176.094 0.001 0.000 1.051 160 V CA 2.051 64.309 62.300 -0.069 0.000 1.036 160 V CB -0.248 31.382 31.823 -0.321 0.000 0.654 160 V HN 0.387 nan 8.190 nan 0.000 0.451 161 E N 0.088 120.298 120.200 0.016 0.000 2.204 161 E HA -0.193 4.158 4.350 0.001 0.000 0.194 161 E C 2.155 178.756 176.600 0.002 0.000 0.989 161 E CA 1.047 57.457 56.400 0.018 0.000 0.824 161 E CB -0.178 29.535 29.700 0.021 0.000 0.756 161 E HN 0.661 nan 8.360 nan 0.000 0.477 162 Q N -1.230 118.582 119.800 0.019 0.000 2.472 162 Q HA 0.104 4.445 4.340 0.001 0.000 0.208 162 Q C 0.899 176.804 176.000 -0.159 0.000 0.958 162 Q CA 0.571 56.348 55.803 -0.044 0.000 0.932 162 Q CB 0.417 29.173 28.738 0.029 0.000 1.007 162 Q HN 0.415 nan 8.270 nan 0.000 0.508 163 G N -0.060 108.684 108.800 -0.094 0.000 2.141 163 G HA2 -0.286 3.674 3.960 0.001 0.000 0.231 163 G HA3 -0.286 3.674 3.960 0.001 0.000 0.231 163 G C -0.325 174.492 174.900 -0.138 0.000 0.984 163 G CA -0.466 44.563 45.100 -0.117 0.000 0.660 163 G HN 0.321 nan 8.290 nan 0.000 0.525 164 Y N 0.321 120.602 120.300 -0.032 0.000 2.578 164 Y HA 0.313 4.864 4.550 0.001 0.000 0.339 164 Y C 1.975 177.837 175.900 -0.064 0.000 1.231 164 Y CA 0.045 58.114 58.100 -0.052 0.000 1.461 164 Y CB 0.537 38.951 38.460 -0.076 0.000 1.323 164 Y HN 0.028 nan 8.280 nan 0.000 0.590 165 R N 1.894 122.465 120.500 0.118 0.000 2.362 165 R HA 0.174 4.515 4.340 0.001 0.000 0.227 165 R C 0.089 176.384 176.300 -0.009 0.000 0.905 165 R CA 0.112 56.231 56.100 0.033 0.000 1.067 165 R CB 0.299 30.614 30.300 0.025 0.000 1.078 165 R HN 0.508 nan 8.270 nan 0.000 0.516 166 R N 1.032 121.518 120.500 -0.024 0.000 2.561 166 R HA 0.271 4.611 4.340 0.001 0.000 0.266 166 R C -1.677 174.530 176.300 -0.154 0.000 1.091 166 R CA -0.497 55.533 56.100 -0.116 0.000 0.927 166 R CB 1.400 31.598 30.300 -0.169 0.000 1.240 166 R HN -0.138 nan 8.270 nan 0.000 0.449 167 I N 3.896 124.356 120.570 -0.184 0.000 2.378 167 I HA 0.389 4.560 4.170 0.001 0.000 0.291 167 I C 0.114 176.107 176.117 -0.206 0.000 0.992 167 I CA -0.615 60.567 61.300 -0.196 0.000 1.154 167 I CB 1.566 39.464 38.000 -0.171 0.000 1.315 167 I HN 0.446 nan 8.210 nan 0.000 0.448 168 K N 7.799 128.085 120.400 -0.191 0.000 2.307 168 K HA 0.563 4.884 4.320 0.001 0.000 0.263 168 K C -1.457 175.093 176.600 -0.082 0.000 0.973 168 K CA -0.537 55.661 56.287 -0.149 0.000 0.846 168 K CB 1.257 33.684 32.500 -0.121 0.000 1.100 168 K HN 0.545 nan 8.250 nan 0.000 0.438 169 L N 4.102 125.290 121.223 -0.059 0.000 2.275 169 L HA 0.362 4.703 4.340 0.001 0.000 0.288 169 L C 0.653 177.548 176.870 0.042 0.000 1.046 169 L CA -0.857 53.979 54.840 -0.007 0.000 0.805 169 L CB 1.208 43.254 42.059 -0.022 0.000 1.193 169 L HN 0.426 nan 8.230 nan 0.000 0.426 170 K N 4.716 125.165 120.400 0.080 0.000 2.412 170 K HA 0.354 4.675 4.320 0.001 0.000 0.281 170 K C -0.457 176.241 176.600 0.162 0.000 1.027 170 K CA 0.030 56.391 56.287 0.124 0.000 0.989 170 K CB 0.762 33.337 32.500 0.125 0.000 0.935 170 K HN 0.620 nan 8.250 nan 0.000 0.475 171 I N -0.131 120.550 120.570 0.184 0.000 3.145 171 I HA 0.639 4.809 4.170 0.001 0.000 0.313 171 I C -0.938 175.350 176.117 0.285 0.000 1.122 171 I CA -0.992 60.445 61.300 0.228 0.000 0.987 171 I CB 2.325 40.424 38.000 0.164 0.000 1.236 171 I HN 0.540 nan 8.210 nan 0.000 0.453 172 K N 0.991 121.573 120.400 0.303 0.000 2.607 172 K HA 0.560 4.880 4.320 0.001 0.000 0.287 172 K C -3.299 173.358 176.600 0.096 0.000 0.996 172 K CA -1.675 54.703 56.287 0.152 0.000 0.876 172 K CB 1.462 34.020 32.500 0.097 0.000 1.496 172 K HN 0.256 nan 8.250 nan 0.000 0.415 173 P HA 0.012 nan 4.420 nan 0.000 0.262 173 P C 0.585 177.922 177.300 0.061 0.000 1.182 173 P CA 1.795 64.819 63.100 -0.127 0.000 0.761 173 P CB 0.443 31.979 31.700 -0.274 0.000 0.795 174 G N 1.681 110.563 108.800 0.137 0.000 2.195 174 G HA2 -0.208 3.752 3.960 0.001 0.000 0.246 174 G HA3 -0.208 3.752 3.960 0.001 0.000 0.246 174 G C -0.359 174.746 174.900 0.342 0.000 0.984 174 G CA -0.252 44.959 45.100 0.184 0.000 0.633 174 G HN 0.606 nan 8.290 nan 0.000 0.525 175 W N 1.543 122.879 121.300 0.060 0.000 2.183 175 W HA 0.449 5.109 4.660 0.001 0.000 0.289 175 W C -0.154 176.415 176.519 0.083 0.000 1.029 175 W CA 0.299 57.677 57.345 0.055 0.000 1.264 175 W CB 0.609 30.091 29.460 0.036 0.000 1.232 175 W HN 0.301 nan 8.180 nan 0.000 0.311 176 D N -0.310 119.960 120.400 -0.216 0.000 2.574 176 D HA -0.025 4.615 4.640 0.001 0.000 0.166 176 D C 1.419 177.563 176.300 -0.260 0.000 1.445 176 D CA 0.270 54.168 54.000 -0.170 0.000 1.453 176 D CB 0.252 41.087 40.800 0.059 0.000 1.814 176 D HN -0.065 nan 8.370 nan 0.000 0.327 177 V N 0.980 120.792 119.914 -0.169 0.000 2.407 177 V HA -0.244 3.877 4.120 0.001 0.000 0.248 177 V C 2.329 178.236 176.094 -0.312 0.000 1.055 177 V CA 2.284 64.493 62.300 -0.152 0.000 1.049 177 V CB -0.831 30.978 31.823 -0.023 0.000 0.662 177 V HN 0.147 nan 8.190 nan 0.000 0.455 178 Q N 0.359 119.908 119.800 -0.417 0.000 1.993 178 Q HA -0.124 4.217 4.340 0.001 0.000 0.202 178 Q C 0.060 175.699 176.000 -0.601 0.000 0.984 178 Q CA 2.195 57.696 55.803 -0.503 0.000 0.837 178 Q CB -1.732 26.659 28.738 -0.579 0.000 0.902 178 Q HN 0.538 nan 8.270 nan 0.000 0.423 179 P HA -0.105 nan 4.420 nan 0.000 0.217 179 P C 1.233 178.322 177.300 -0.351 0.000 1.150 179 P CA 1.102 63.882 63.100 -0.534 0.000 0.832 179 P CB 0.046 31.406 31.700 -0.567 0.000 0.787 180 V N 0.742 120.423 119.914 -0.389 0.000 2.358 180 V HA -0.177 3.943 4.120 0.001 0.000 0.246 180 V C 3.016 178.778 176.094 -0.553 0.000 1.047 180 V CA 1.819 63.907 62.300 -0.355 0.000 1.035 180 V CB -1.091 30.568 31.823 -0.274 0.000 0.658 180 V HN 0.075 nan 8.190 nan 0.000 0.452 181 R N 0.412 120.474 120.500 -0.729 0.000 2.073 181 R HA -0.149 4.192 4.340 0.001 0.000 0.234 181 R C 2.294 178.337 176.300 -0.428 0.000 1.134 181 R CA 1.752 57.300 56.100 -0.919 0.000 0.952 181 R CB -0.477 29.459 30.300 -0.608 0.000 0.850 181 R HN 0.452 nan 8.270 nan 0.000 0.433 182 A N -0.005 122.646 122.820 -0.282 0.000 1.933 182 A HA -0.122 4.199 4.320 0.001 0.000 0.218 182 A C 2.181 179.709 177.584 -0.094 0.000 1.175 182 A CA 1.985 53.934 52.037 -0.147 0.000 0.628 182 A CB -0.821 18.120 19.000 -0.099 0.000 0.814 182 A HN 0.474 nan 8.150 nan 0.000 0.444 183 T N -0.821 113.678 114.554 -0.093 0.000 2.737 183 T HA -0.110 4.241 4.350 0.001 0.000 0.265 183 T C 2.152 176.899 174.700 0.078 0.000 1.038 183 T CA 1.722 63.843 62.100 0.035 0.000 1.144 183 T CB -0.190 68.675 68.868 -0.006 0.000 0.866 183 T HN 0.489 nan 8.240 nan 0.000 0.434 184 R N 1.338 121.816 120.500 -0.037 0.000 2.115 184 R HA 0.057 4.398 4.340 0.001 0.000 0.226 184 R C 2.113 178.425 176.300 0.021 0.000 1.100 184 R CA 1.441 57.555 56.100 0.023 0.000 0.980 184 R CB -0.441 29.869 30.300 0.017 0.000 0.875 184 R HN 0.440 nan 8.270 nan 0.000 0.445 185 E N -0.710 119.468 120.200 -0.036 0.000 2.077 185 E HA -0.138 4.212 4.350 0.001 0.000 0.193 185 E C 1.597 178.136 176.600 -0.101 0.000 0.989 185 E CA 1.540 57.915 56.400 -0.042 0.000 0.800 185 E CB -0.117 29.549 29.700 -0.058 0.000 0.746 185 E HN 0.472 nan 8.360 nan 0.000 0.452 186 A N -0.445 122.279 122.820 -0.159 0.000 2.021 186 A HA 0.040 4.360 4.320 0.001 0.000 0.216 186 A C 0.405 177.561 177.584 -0.713 0.000 1.163 186 A CA 0.505 52.292 52.037 -0.416 0.000 0.676 186 A CB 0.177 18.910 19.000 -0.446 0.000 0.818 186 A HN 0.205 nan 8.150 nan 0.000 0.453 187 F N -1.098 118.840 119.950 -0.020 0.000 2.686 187 F HA 0.350 4.877 4.527 0.001 0.000 0.365 187 F C -2.159 173.635 175.800 -0.010 0.000 1.196 187 F CA -1.701 56.290 58.000 -0.014 0.000 1.198 187 F CB 1.766 40.755 39.000 -0.017 0.000 1.454 187 F HN -0.004 nan 8.300 nan 0.000 0.539 188 P HA -0.074 nan 4.420 nan 0.000 0.223 188 P C 0.515 177.859 177.300 0.074 0.000 1.151 188 P CA 1.353 64.495 63.100 0.070 0.000 0.787 188 P CB 0.393 32.113 31.700 0.034 0.000 0.788 189 D N -1.319 119.135 120.400 0.090 0.000 2.500 189 D HA 0.116 4.756 4.640 0.001 0.000 0.218 189 D C 1.121 177.450 176.300 0.049 0.000 1.140 189 D CA -0.072 53.964 54.000 0.060 0.000 0.830 189 D CB 0.474 41.305 40.800 0.052 0.000 1.055 189 D HN 0.256 nan 8.370 nan 0.000 0.512 190 I N -0.717 119.892 120.570 0.064 0.000 2.938 190 I HA 0.149 4.320 4.170 0.001 0.000 0.285 190 I C 0.567 176.666 176.117 -0.029 0.000 1.182 190 I CA -0.547 60.755 61.300 0.004 0.000 1.388 190 I CB 0.825 38.794 38.000 -0.050 0.000 1.390 190 I HN -0.364 nan 8.210 nan 0.000 0.600 191 R N 3.987 124.451 120.500 -0.060 0.000 2.288 191 R HA 0.394 4.734 4.340 0.001 0.000 0.330 191 R C -1.271 174.941 176.300 -0.146 0.000 1.069 191 R CA -0.491 55.550 56.100 -0.098 0.000 0.941 191 R CB 0.415 30.654 30.300 -0.101 0.000 0.998 191 R HN 0.647 nan 8.270 nan 0.000 0.452 192 L N 4.362 125.489 121.223 -0.160 0.000 2.362 192 L HA 0.524 4.865 4.340 0.001 0.000 0.275 192 L C -0.709 175.992 176.870 -0.282 0.000 0.998 192 L CA -0.026 54.704 54.840 -0.183 0.000 0.820 192 L CB 2.173 44.166 42.059 -0.109 0.000 1.270 192 L HN 0.816 nan 8.230 nan 0.000 0.415 193 T N 1.707 116.058 114.554 -0.338 0.000 2.865 193 T HA 0.841 5.192 4.350 0.001 0.000 0.294 193 T C -0.671 173.887 174.700 -0.237 0.000 1.119 193 T CA -0.329 61.492 62.100 -0.464 0.000 1.007 193 T CB 1.535 69.861 68.868 -0.904 0.000 1.225 193 T HN 0.874 nan 8.240 nan 0.000 0.515 194 V N -1.312 118.516 119.914 -0.143 0.000 2.962 194 V HA 0.805 4.926 4.120 0.001 0.000 0.313 194 V C -1.511 174.645 176.094 0.103 0.000 1.099 194 V CA -0.894 61.397 62.300 -0.015 0.000 0.971 194 V CB 1.929 33.745 31.823 -0.013 0.000 1.028 194 V HN 1.032 nan 8.190 nan 0.000 0.430 195 D N 2.654 123.132 120.400 0.130 0.000 2.392 195 D HA 0.704 5.345 4.640 0.001 0.000 0.228 195 D C 0.554 176.969 176.300 0.192 0.000 1.074 195 D CA 0.130 54.244 54.000 0.190 0.000 0.838 195 D CB 1.858 42.770 40.800 0.187 0.000 1.067 195 D HN 0.901 nan 8.370 nan 0.000 0.511 196 A N 4.124 127.072 122.820 0.213 0.000 2.238 196 A HA 0.080 4.400 4.320 0.001 0.000 0.210 196 A C 1.134 178.907 177.584 0.315 0.000 1.179 196 A CA 0.180 52.386 52.037 0.283 0.000 0.827 196 A CB -0.544 18.571 19.000 0.192 0.000 0.856 196 A HN 0.854 nan 8.150 nan 0.000 0.488 197 N N -0.051 118.795 118.700 0.244 0.000 2.721 197 N HA -0.226 4.515 4.740 0.001 0.000 0.249 197 N C -0.204 175.428 175.510 0.203 0.000 1.072 197 N CA 0.598 53.772 53.050 0.207 0.000 0.710 197 N CB -1.136 37.455 38.487 0.174 0.000 0.993 197 N HN 0.342 nan 8.380 nan 0.000 0.547 198 S N -2.636 113.210 115.700 0.242 0.000 3.581 198 S HA -0.223 4.248 4.470 0.001 0.000 0.354 198 S C 0.782 175.493 174.600 0.185 0.000 1.059 198 S CA 0.858 59.198 58.200 0.234 0.000 1.060 198 S CB -1.443 61.893 63.200 0.227 0.000 0.908 198 S HN 0.835 nan 8.310 nan 0.000 0.475 199 A N -1.265 121.676 122.820 0.201 0.000 2.430 199 A HA 0.565 4.886 4.320 0.001 0.000 0.243 199 A C 0.122 177.611 177.584 -0.157 0.000 1.254 199 A CA 0.114 52.152 52.037 0.002 0.000 0.914 199 A CB 0.334 19.285 19.000 -0.082 0.000 0.998 199 A HN 0.512 nan 8.150 nan 0.000 0.515 200 Y N -0.603 119.732 120.300 0.058 0.000 2.621 200 Y HA 0.589 5.140 4.550 0.001 0.000 0.334 200 Y C 0.920 176.827 175.900 0.011 0.000 1.074 200 Y CA -0.110 58.013 58.100 0.037 0.000 1.149 200 Y CB 1.687 40.170 38.460 0.040 0.000 1.302 200 Y HN 0.144 nan 8.280 nan 0.000 0.501 201 T N -2.720 111.934 114.554 0.165 0.000 2.858 201 T HA 0.402 4.752 4.350 0.001 0.000 0.285 201 T C 0.482 175.217 174.700 0.058 0.000 1.052 201 T CA -0.814 61.329 62.100 0.071 0.000 1.009 201 T CB 0.683 69.575 68.868 0.041 0.000 1.241 201 T HN 0.576 nan 8.240 nan 0.000 0.542 202 L N 0.584 121.815 121.223 0.013 0.000 2.201 202 L HA 0.084 4.425 4.340 0.001 0.000 0.212 202 L C 3.071 179.953 176.870 0.021 0.000 1.105 202 L CA 1.291 56.133 54.840 0.002 0.000 0.775 202 L CB -0.762 41.287 42.059 -0.017 0.000 0.913 202 L HN 0.939 nan 8.230 nan 0.000 0.440 203 A N -0.542 122.296 122.820 0.031 0.000 2.070 203 A HA -0.196 4.125 4.320 0.001 0.000 0.220 203 A C 1.631 179.250 177.584 0.058 0.000 1.159 203 A CA 1.556 53.615 52.037 0.037 0.000 0.656 203 A CB -0.343 18.677 19.000 0.034 0.000 0.800 203 A HN 0.372 nan 8.150 nan 0.000 0.453 204 D N -0.104 120.351 120.400 0.092 0.000 2.340 204 D HA 0.243 4.883 4.640 0.001 0.000 0.220 204 D C 1.887 178.231 176.300 0.073 0.000 1.039 204 D CA 0.764 54.846 54.000 0.138 0.000 0.866 204 D CB 0.020 41.017 40.800 0.328 0.000 0.913 204 D HN 0.445 nan 8.370 nan 0.000 0.523 205 A N 1.192 124.034 122.820 0.037 0.000 1.892 205 A HA -0.146 4.175 4.320 0.001 0.000 0.218 205 A C 2.379 179.967 177.584 0.006 0.000 1.188 205 A CA 2.094 54.135 52.037 0.008 0.000 0.631 205 A CB -1.094 17.907 19.000 0.003 0.000 0.822 205 A HN 0.324 nan 8.150 nan 0.000 0.447 206 G N -0.980 107.831 108.800 0.017 0.000 2.432 206 G HA2 -0.227 3.734 3.960 0.001 0.000 0.219 206 G HA3 -0.227 3.734 3.960 0.001 0.000 0.219 206 G C 1.699 176.610 174.900 0.020 0.000 1.135 206 G CA 1.291 46.400 45.100 0.015 0.000 0.767 206 G HN 0.521 nan 8.290 nan 0.000 0.550 207 R N 0.384 120.906 120.500 0.037 0.000 2.062 207 R HA 0.177 4.518 4.340 0.001 0.000 0.229 207 R C 2.510 178.820 176.300 0.017 0.000 1.128 207 R CA 0.959 57.089 56.100 0.049 0.000 0.960 207 R CB -0.826 29.535 30.300 0.101 0.000 0.855 207 R HN 0.373 nan 8.270 nan 0.000 0.432 208 L N 0.141 121.350 121.223 -0.024 0.000 2.201 208 L HA -0.028 4.312 4.340 0.001 0.000 0.212 208 L C 2.635 179.480 176.870 -0.043 0.000 1.105 208 L CA 1.412 56.200 54.840 -0.087 0.000 0.775 208 L CB -0.415 41.544 42.059 -0.168 0.000 0.913 208 L HN 0.221 nan 8.230 nan 0.000 0.440 209 R N 0.337 120.823 120.500 -0.024 0.000 2.148 209 R HA -0.160 4.181 4.340 0.001 0.000 0.227 209 R C 2.135 178.422 176.300 -0.022 0.000 1.103 209 R CA 1.045 57.133 56.100 -0.021 0.000 0.983 209 R CB -0.028 30.262 30.300 -0.017 0.000 0.874 209 R HN 0.450 nan 8.270 nan 0.000 0.451 210 Q N 0.205 120.002 119.800 -0.005 0.000 2.291 210 Q HA -0.116 4.224 4.340 0.001 0.000 0.206 210 Q C 1.892 177.913 176.000 0.035 0.000 0.976 210 Q CA 1.046 56.852 55.803 0.005 0.000 0.875 210 Q CB 0.022 28.783 28.738 0.039 0.000 0.927 210 Q HN 0.422 nan 8.270 nan 0.000 0.450 211 L N 0.421 121.676 121.223 0.053 0.000 2.376 211 L HA -0.151 4.190 4.340 0.001 0.000 0.219 211 L C 1.398 178.292 176.870 0.040 0.000 1.133 211 L CA 0.395 55.310 54.840 0.125 0.000 0.816 211 L CB -0.291 41.801 42.059 0.055 0.000 0.933 211 L HN 0.115 nan 8.230 nan 0.000 0.449 212 D N 0.847 121.221 120.400 -0.043 0.000 2.149 212 D HA -0.226 4.415 4.640 0.001 0.000 0.198 212 D C 1.975 178.192 176.300 -0.140 0.000 0.990 212 D CA 1.517 55.476 54.000 -0.068 0.000 0.839 212 D CB -0.024 40.738 40.800 -0.064 0.000 0.948 212 D HN 0.596 nan 8.370 nan 0.000 0.460 213 E N -0.456 119.564 120.200 -0.300 0.000 2.418 213 E HA -0.163 4.188 4.350 0.001 0.000 0.197 213 E C 0.873 177.184 176.600 -0.481 0.000 1.026 213 E CA 0.633 56.778 56.400 -0.425 0.000 0.862 213 E CB -0.396 28.972 29.700 -0.554 0.000 0.799 213 E HN 0.427 nan 8.360 nan 0.000 0.518 214 Y N 1.236 121.515 120.300 -0.035 0.000 2.468 214 Y HA 0.122 4.673 4.550 0.001 0.000 0.268 214 Y C -0.219 175.657 175.900 -0.040 0.000 1.177 214 Y CA -0.351 57.727 58.100 -0.038 0.000 1.265 214 Y CB 0.358 38.789 38.460 -0.048 0.000 1.103 214 Y HN -0.093 nan 8.280 nan 0.000 0.522 215 D N 0.843 121.265 120.400 0.036 0.000 2.697 215 D HA -0.201 4.440 4.640 0.001 0.000 0.238 215 D C -0.479 175.822 176.300 0.000 0.000 1.152 215 D CA 0.643 54.650 54.000 0.012 0.000 0.666 215 D CB -1.324 39.482 40.800 0.010 0.000 1.037 215 D HN 0.372 nan 8.370 nan 0.000 0.423 216 L N 0.055 121.273 121.223 -0.007 0.000 2.426 216 L HA 0.072 4.413 4.340 0.001 0.000 0.271 216 L C 2.149 178.968 176.870 -0.084 0.000 1.169 216 L CA -0.069 54.730 54.840 -0.068 0.000 0.836 216 L CB 0.503 42.521 42.059 -0.068 0.000 1.112 216 L HN -0.046 nan 8.230 nan 0.000 0.465 217 T N 0.984 115.433 114.554 -0.175 0.000 2.867 217 T HA -0.047 4.303 4.350 0.001 0.000 0.268 217 T C -0.455 174.241 174.700 -0.007 0.000 1.057 217 T CA 1.329 63.353 62.100 -0.125 0.000 1.136 217 T CB -0.145 68.592 68.868 -0.219 0.000 0.874 217 T HN 0.614 nan 8.240 nan 0.000 0.466 218 Y N -1.996 118.295 120.300 -0.015 0.000 2.687 218 Y HA 0.597 5.148 4.550 0.001 0.000 0.338 218 Y C -1.956 173.953 175.900 0.014 0.000 1.189 218 Y CA -2.272 55.836 58.100 0.013 0.000 1.097 218 Y CB 0.396 38.886 38.460 0.051 0.000 1.342 218 Y HN -0.148 nan 8.280 nan 0.000 0.461 219 I N 2.205 122.942 120.570 0.279 0.000 2.354 219 I HA 0.323 4.494 4.170 0.001 0.000 0.292 219 I C -0.413 175.876 176.117 0.287 0.000 0.989 219 I CA -0.632 60.793 61.300 0.209 0.000 1.188 219 I CB 1.799 39.845 38.000 0.076 0.000 1.342 219 I HN 0.708 nan 8.210 nan 0.000 0.457 220 E N 6.143 126.533 120.200 0.316 0.000 2.167 220 E HA 0.130 4.481 4.350 0.001 0.000 0.284 220 E C -0.208 176.507 176.600 0.192 0.000 1.016 220 E CA -0.634 55.928 56.400 0.269 0.000 0.817 220 E CB 0.720 30.646 29.700 0.376 0.000 1.080 220 E HN 0.490 nan 8.360 nan 0.000 0.397 221 Q N 4.025 123.894 119.800 0.115 0.000 2.413 221 Q HA -0.169 4.172 4.340 0.001 0.000 0.364 221 Q C -1.867 174.311 176.000 0.297 0.000 1.359 221 Q CA 0.716 56.596 55.803 0.129 0.000 1.097 221 Q CB -0.112 28.678 28.738 0.087 0.000 1.286 221 Q HN 0.539 nan 8.270 nan 0.000 0.358 222 P HA -0.122 nan 4.420 nan 0.000 0.222 222 P C 0.241 177.707 177.300 0.277 0.000 1.153 222 P CA 1.053 64.316 63.100 0.272 0.000 0.798 222 P CB 0.310 32.062 31.700 0.087 0.000 0.796 223 L N -1.097 120.254 121.223 0.213 0.000 2.902 223 L HA 0.610 4.951 4.340 0.001 0.000 0.229 223 L C 0.956 177.927 176.870 0.169 0.000 1.324 223 L CA -1.521 53.312 54.840 -0.011 0.000 1.230 223 L CB -0.526 41.239 42.059 -0.491 0.000 2.134 223 L HN -0.252 nan 8.230 nan 0.000 0.567 224 A N 0.166 123.030 122.820 0.074 0.000 2.445 224 A HA -0.004 4.317 4.320 0.001 0.000 0.242 224 A C 0.783 178.446 177.584 0.132 0.000 1.075 224 A CA -0.209 51.887 52.037 0.098 0.000 0.777 224 A CB -0.132 18.847 19.000 -0.034 0.000 1.013 224 A HN 0.878 nan 8.150 nan 0.000 0.493 225 W N 1.808 123.138 121.300 0.050 0.000 2.392 225 W HA -0.109 4.552 4.660 0.001 0.000 0.279 225 W C -0.224 176.279 176.519 -0.027 0.000 1.225 225 W CA 1.353 58.694 57.345 -0.007 0.000 1.233 225 W CB -0.409 29.006 29.460 -0.075 0.000 1.122 225 W HN 0.730 nan 8.180 nan 0.000 0.561 226 D N -0.200 119.663 120.400 -0.894 0.000 2.501 226 D HA 0.042 4.683 4.640 0.001 0.000 0.226 226 D C -0.377 175.671 176.300 -0.420 0.000 1.198 226 D CA -0.233 53.235 54.000 -0.887 0.000 0.830 226 D CB -0.695 39.143 40.800 -1.603 0.000 1.014 226 D HN 0.081 nan 8.370 nan 0.000 0.496 227 D N 0.594 120.878 120.400 -0.194 0.000 2.185 227 D HA 0.233 4.873 4.640 0.001 0.000 0.247 227 D C 0.479 176.827 176.300 0.080 0.000 1.027 227 D CA -0.559 53.413 54.000 -0.047 0.000 0.861 227 D CB 2.108 42.909 40.800 0.000 0.000 1.202 227 D HN 0.015 nan 8.370 nan 0.000 0.453 228 L N 2.590 123.830 121.223 0.029 0.000 2.624 228 L HA 0.053 4.394 4.340 0.001 0.000 0.222 228 L C 2.287 179.192 176.870 0.057 0.000 1.046 228 L CA -0.058 54.807 54.840 0.042 0.000 0.872 228 L CB 0.131 42.170 42.059 -0.033 0.000 1.190 228 L HN 0.294 nan 8.230 nan 0.000 0.487 229 V N 0.545 120.464 119.914 0.009 0.000 2.295 229 V HA -0.269 3.852 4.120 0.001 0.000 0.246 229 V C 1.959 178.046 176.094 -0.012 0.000 1.049 229 V CA 2.099 64.394 62.300 -0.007 0.000 1.024 229 V CB -0.308 31.500 31.823 -0.025 0.000 0.648 229 V HN 0.409 nan 8.190 nan 0.000 0.447 230 D N -1.612 118.764 120.400 -0.040 0.000 2.178 230 D HA -0.124 4.516 4.640 0.001 0.000 0.202 230 D C 2.078 178.309 176.300 -0.115 0.000 0.974 230 D CA 0.919 54.865 54.000 -0.089 0.000 0.841 230 D CB -0.309 40.411 40.800 -0.134 0.000 0.953 230 D HN 0.507 nan 8.370 nan 0.000 0.478 231 H N 0.695 119.749 119.070 -0.026 0.000 2.353 231 H HA -0.020 4.537 4.556 0.001 0.000 0.300 231 H C 2.072 177.386 175.328 -0.024 0.000 1.090 231 H CA 1.358 57.393 56.048 -0.022 0.000 1.327 231 H CB -0.056 29.689 29.762 -0.029 0.000 1.383 231 H HN 0.100 nan 8.280 nan 0.000 0.508 232 A N 1.024 123.891 122.820 0.079 0.000 1.940 232 A HA -0.220 4.100 4.320 0.001 0.000 0.219 232 A C 2.390 179.982 177.584 0.014 0.000 1.176 232 A CA 1.992 54.048 52.037 0.032 0.000 0.631 232 A CB -0.289 18.718 19.000 0.012 0.000 0.814 232 A HN 0.390 nan 8.150 nan 0.000 0.446 233 E N -0.232 119.967 120.200 -0.001 0.000 2.072 233 E HA -0.136 4.215 4.350 0.001 0.000 0.190 233 E C 1.786 178.380 176.600 -0.010 0.000 0.982 233 E CA 1.245 57.639 56.400 -0.010 0.000 0.803 233 E CB -0.438 29.250 29.700 -0.021 0.000 0.755 233 E HN 0.413 nan 8.360 nan 0.000 0.453 234 L N 0.335 121.548 121.223 -0.017 0.000 2.083 234 L HA 0.021 4.361 4.340 0.001 0.000 0.209 234 L C 2.161 179.034 176.870 0.005 0.000 1.083 234 L CA 2.197 57.028 54.840 -0.015 0.000 0.752 234 L CB -0.837 41.201 42.059 -0.034 0.000 0.899 234 L HN 0.192 nan 8.230 nan 0.000 0.433 235 A N -0.663 122.170 122.820 0.022 0.000 2.067 235 A HA -0.150 4.170 4.320 0.001 0.000 0.219 235 A C 2.365 179.956 177.584 0.012 0.000 1.158 235 A CA 1.342 53.393 52.037 0.024 0.000 0.661 235 A CB -0.527 18.492 19.000 0.031 0.000 0.801 235 A HN 0.519 nan 8.150 nan 0.000 0.452 236 R N -0.783 119.721 120.500 0.007 0.000 2.148 236 R HA 0.031 4.372 4.340 0.001 0.000 0.223 236 R C 1.966 178.266 176.300 0.000 0.000 1.088 236 R CA 1.084 57.186 56.100 0.003 0.000 0.985 236 R CB -0.095 30.206 30.300 0.001 0.000 0.880 236 R HN 0.458 nan 8.270 nan 0.000 0.451 237 R N 0.268 120.767 120.500 -0.001 0.000 2.280 237 R HA 0.193 4.534 4.340 0.001 0.000 0.195 237 R C 0.803 177.100 176.300 -0.006 0.000 0.935 237 R CA 0.382 56.479 56.100 -0.004 0.000 1.033 237 R CB 0.253 30.549 30.300 -0.006 0.000 0.964 237 R HN 0.228 nan 8.270 nan 0.000 0.489 238 I N -3.735 116.833 120.570 -0.004 0.000 3.042 238 I HA 0.387 4.558 4.170 0.001 0.000 0.310 238 I C 0.229 176.344 176.117 -0.002 0.000 1.117 238 I CA -1.158 60.138 61.300 -0.008 0.000 1.003 238 I CB 2.415 40.407 38.000 -0.012 0.000 1.228 238 I HN -0.266 nan 8.210 nan 0.000 0.443 239 R N 0.458 120.955 120.500 -0.006 0.000 2.282 239 R HA 0.200 4.540 4.340 0.001 0.000 0.195 239 R C 0.080 176.384 176.300 0.006 0.000 0.909 239 R CA 0.144 56.243 56.100 -0.002 0.000 1.039 239 R CB 0.263 30.557 30.300 -0.011 0.000 1.015 239 R HN 0.673 nan 8.270 nan 0.000 0.513 240 T N 3.939 118.496 114.554 0.006 0.000 2.853 240 T HA 0.106 4.457 4.350 0.001 0.000 0.298 240 T C -2.387 172.338 174.700 0.042 0.000 0.978 240 T CA -0.915 61.196 62.100 0.019 0.000 1.152 240 T CB 1.009 69.884 68.868 0.012 0.000 0.914 240 T HN -0.068 nan 8.240 nan 0.000 0.539 241 P HA 0.168 nan 4.420 nan 0.000 0.268 241 P C -0.393 176.980 177.300 0.122 0.000 1.205 241 P CA -0.219 62.933 63.100 0.087 0.000 0.771 241 P CB 0.413 32.177 31.700 0.107 0.000 0.858 242 L N 2.548 123.823 121.223 0.087 0.000 2.357 242 L HA 0.440 4.781 4.340 0.001 0.000 0.273 242 L C 0.401 177.288 176.870 0.029 0.000 1.080 242 L CA -0.564 54.326 54.840 0.084 0.000 0.803 242 L CB 1.199 43.301 42.059 0.073 0.000 1.174 242 L HN 0.431 nan 8.230 nan 0.000 0.443 243 C N 4.625 123.929 119.300 0.005 0.000 2.345 243 C HA 0.588 5.049 4.460 0.001 0.000 0.323 243 C C -0.250 174.659 174.990 -0.134 0.000 1.276 243 C CA -0.717 58.225 59.018 -0.126 0.000 1.543 243 C CB 0.539 28.083 27.740 -0.327 0.000 2.211 243 C HN 0.546 nan 8.230 nan 0.000 0.493 244 L N 5.490 126.598 121.223 -0.191 0.000 2.325 244 L HA 0.471 4.812 4.340 0.001 0.000 0.279 244 L C 0.574 177.336 176.870 -0.179 0.000 1.054 244 L CA 0.647 55.357 54.840 -0.216 0.000 0.804 244 L CB 1.326 43.246 42.059 -0.232 0.000 1.200 244 L HN 0.859 nan 8.230 nan 0.000 0.436 245 D N 0.943 121.274 120.400 -0.115 0.000 3.040 245 D HA -0.006 4.635 4.640 0.001 0.000 0.221 245 D C 1.171 177.465 176.300 -0.010 0.000 1.515 245 D CA 0.333 54.298 54.000 -0.059 0.000 1.379 245 D CB 0.424 41.248 40.800 0.041 0.000 0.992 245 D HN 0.450 nan 8.370 nan 0.000 0.234 246 E N 0.163 120.380 120.200 0.027 0.000 2.268 246 E HA -0.049 4.301 4.350 0.001 0.000 0.195 246 E C 1.768 178.410 176.600 0.070 0.000 0.995 246 E CA 1.185 57.601 56.400 0.026 0.000 0.836 246 E CB -0.071 29.632 29.700 0.006 0.000 0.763 246 E HN 0.287 nan 8.360 nan 0.000 0.491 247 S N -0.630 115.067 115.700 -0.004 0.000 2.593 247 S HA 0.075 4.545 4.470 0.001 0.000 0.217 247 S C 0.623 175.182 174.600 -0.068 0.000 0.966 247 S CA -0.337 57.828 58.200 -0.060 0.000 0.914 247 S CB 0.313 63.445 63.200 -0.112 0.000 0.776 247 S HN -0.052 nan 8.310 nan 0.000 0.523 248 V N 2.050 121.927 119.914 -0.061 0.000 2.275 248 V HA 0.712 4.832 4.120 0.001 0.000 0.272 248 V C 0.582 176.660 176.094 -0.027 0.000 1.028 248 V CA -0.043 62.219 62.300 -0.063 0.000 0.810 248 V CB 0.430 32.193 31.823 -0.101 0.000 1.043 248 V HN 0.457 nan 8.190 nan 0.000 0.453 249 A N 3.759 126.575 122.820 -0.007 0.000 2.503 249 A HA 0.686 5.007 4.320 0.001 0.000 0.263 249 A C 0.628 178.220 177.584 0.013 0.000 1.258 249 A CA 0.489 52.537 52.037 0.018 0.000 0.936 249 A CB 0.225 19.251 19.000 0.043 0.000 1.070 249 A HN 0.957 nan 8.150 nan 0.000 0.522 250 S N -3.281 112.418 115.700 -0.000 0.000 2.615 250 S HA 0.587 5.058 4.470 0.001 0.000 0.268 250 S C 0.698 175.298 174.600 0.000 0.000 1.146 250 S CA 0.090 58.294 58.200 0.007 0.000 0.818 250 S CB 0.802 64.009 63.200 0.012 0.000 1.111 250 S HN 1.067 nan 8.310 nan 0.000 0.465 251 A N 1.570 124.398 122.820 0.014 0.000 1.969 251 A HA 0.054 4.375 4.320 0.001 0.000 0.218 251 A C 2.320 179.913 177.584 0.015 0.000 1.169 251 A CA 2.168 54.216 52.037 0.018 0.000 0.635 251 A CB -1.460 17.562 19.000 0.037 0.000 0.810 251 A HN 1.690 nan 8.150 nan 0.000 0.445 252 S N 0.134 115.842 115.700 0.014 0.000 2.402 252 S HA -0.164 4.306 4.470 0.001 0.000 0.229 252 S C 1.376 175.971 174.600 -0.008 0.000 1.021 252 S CA 1.360 59.567 58.200 0.012 0.000 0.974 252 S CB -0.460 62.748 63.200 0.013 0.000 0.800 252 S HN 0.475 nan 8.310 nan 0.000 0.484 253 D N 2.451 122.839 120.400 -0.021 0.000 2.144 253 D HA 0.064 4.704 4.640 0.001 0.000 0.199 253 D C 2.286 178.543 176.300 -0.071 0.000 0.984 253 D CA 1.438 55.412 54.000 -0.044 0.000 0.834 253 D CB -0.698 40.076 40.800 -0.044 0.000 0.955 253 D HN 0.557 nan 8.370 nan 0.000 0.465 254 A N 1.240 124.020 122.820 -0.067 0.000 1.858 254 A HA -0.190 4.130 4.320 0.001 0.000 0.216 254 A C 2.188 179.684 177.584 -0.146 0.000 1.190 254 A CA 1.478 53.451 52.037 -0.107 0.000 0.617 254 A CB -0.452 18.502 19.000 -0.077 0.000 0.827 254 A HN 0.049 nan 8.150 nan 0.000 0.443 255 R N 0.422 120.887 120.500 -0.057 0.000 2.096 255 R HA -0.177 4.164 4.340 0.001 0.000 0.240 255 R C 1.911 178.157 176.300 -0.090 0.000 1.139 255 R CA 2.257 58.354 56.100 -0.006 0.000 0.952 255 R CB -0.468 29.902 30.300 0.115 0.000 0.854 255 R HN 0.592 nan 8.270 nan 0.000 0.436 256 K N -0.205 120.156 120.400 -0.065 0.000 2.057 256 K HA -0.038 4.282 4.320 0.001 0.000 0.206 256 K C 2.182 178.713 176.600 -0.115 0.000 1.050 256 K CA 1.334 57.584 56.287 -0.062 0.000 0.935 256 K CB -0.173 32.302 32.500 -0.042 0.000 0.715 256 K HN 0.241 nan 8.250 nan 0.000 0.439 257 A N 1.389 124.118 122.820 -0.152 0.000 1.877 257 A HA -0.142 4.179 4.320 0.001 0.000 0.216 257 A C 2.107 179.544 177.584 -0.245 0.000 1.186 257 A CA 1.349 53.283 52.037 -0.171 0.000 0.620 257 A CB -0.638 18.257 19.000 -0.175 0.000 0.822 257 A HN 0.152 nan 8.150 nan 0.000 0.443 258 L N -1.104 119.861 121.223 -0.430 0.000 2.109 258 L HA -0.086 4.255 4.340 0.001 0.000 0.207 258 L C 3.015 179.566 176.870 -0.532 0.000 1.086 258 L CA 0.927 55.367 54.840 -0.666 0.000 0.760 258 L CB -0.523 40.720 42.059 -1.361 0.000 0.910 258 L HN 0.414 nan 8.230 nan 0.000 0.437 259 A N 0.025 122.613 122.820 -0.387 0.000 1.968 259 A HA -0.062 4.259 4.320 0.001 0.000 0.217 259 A C 2.190 179.770 177.584 -0.007 0.000 1.169 259 A CA 1.024 53.059 52.037 -0.002 0.000 0.638 259 A CB -0.520 18.567 19.000 0.144 0.000 0.812 259 A HN 0.354 nan 8.150 nan 0.000 0.446 260 L N -1.011 120.181 121.223 -0.053 0.000 2.465 260 L HA 0.084 4.424 4.340 0.001 0.000 0.224 260 L C 1.640 178.493 176.870 -0.029 0.000 1.145 260 L CA 0.601 55.423 54.840 -0.030 0.000 0.834 260 L CB -0.352 41.686 42.059 -0.035 0.000 0.944 260 L HN 0.585 nan 8.230 nan 0.000 0.451 261 G N -0.334 108.433 108.800 -0.054 0.000 2.198 261 G HA2 -0.316 3.645 3.960 0.001 0.000 0.257 261 G HA3 -0.316 3.645 3.960 0.001 0.000 0.257 261 G C 0.922 175.804 174.900 -0.030 0.000 1.042 261 G CA 0.383 45.459 45.100 -0.040 0.000 0.791 261 G HN 0.441 nan 8.290 nan 0.000 0.502 262 A N -1.120 121.670 122.820 -0.049 0.000 2.014 262 A HA 0.593 4.914 4.320 0.001 0.000 0.218 262 A C 1.697 179.264 177.584 -0.029 0.000 1.163 262 A CA 1.920 53.948 52.037 -0.014 0.000 0.652 262 A CB 0.143 19.121 19.000 -0.037 0.000 0.808 262 A HN 2.199 nan 8.150 nan 0.000 0.449 263 G N -4.014 104.741 108.800 -0.075 0.000 2.550 263 G HA2 0.453 4.414 3.960 0.001 0.000 0.293 263 G HA3 0.453 4.414 3.960 0.001 0.000 0.293 263 G C 0.140 174.993 174.900 -0.079 0.000 1.402 263 G CA 0.238 45.298 45.100 -0.067 0.000 0.784 263 G HN 0.682 nan 8.290 nan 0.000 0.482 264 G N -1.398 107.374 108.800 -0.047 0.000 3.274 264 G HA2 0.490 4.451 3.960 0.001 0.000 0.250 264 G HA3 0.490 4.451 3.960 0.001 0.000 0.250 264 G C -0.418 174.463 174.900 -0.032 0.000 1.024 264 G CA 0.329 45.408 45.100 -0.035 0.000 0.840 264 G HN 0.971 nan 8.290 nan 0.000 0.522 265 V N 0.939 120.815 119.914 -0.063 0.000 3.012 265 V HA 0.518 4.639 4.120 0.001 0.000 0.307 265 V C -1.070 174.932 176.094 -0.153 0.000 1.166 265 V CA -0.795 61.461 62.300 -0.073 0.000 0.974 265 V CB 2.440 34.218 31.823 -0.076 0.000 1.040 265 V HN 0.095 nan 8.190 nan 0.000 0.428 266 I N 3.045 123.501 120.570 -0.190 0.000 2.418 266 I HA 0.378 4.549 4.170 0.001 0.000 0.287 266 I C -0.381 175.404 176.117 -0.552 0.000 1.008 266 I CA -0.576 60.546 61.300 -0.296 0.000 1.104 266 I CB 1.964 39.816 38.000 -0.248 0.000 1.264 266 I HN 0.616 nan 8.210 nan 0.000 0.438 267 N N 7.136 125.416 118.700 -0.700 0.000 2.399 267 N HA 0.113 4.854 4.740 0.001 0.000 0.259 267 N C -1.230 173.897 175.510 -0.638 0.000 1.160 267 N CA -0.212 52.130 53.050 -1.179 0.000 0.946 267 N CB 0.740 38.646 38.487 -0.967 0.000 1.156 267 N HN 0.397 nan 8.380 nan 0.000 0.489 268 L N 3.907 124.801 121.223 -0.549 0.000 2.265 268 L HA 0.452 4.793 4.340 0.001 0.000 0.289 268 L C -0.475 176.313 176.870 -0.136 0.000 1.033 268 L CA -0.163 54.532 54.840 -0.242 0.000 0.814 268 L CB 0.501 42.464 42.059 -0.160 0.000 1.203 268 L HN 0.381 nan 8.230 nan 0.000 0.423 269 K N 4.311 124.652 120.400 -0.098 0.000 2.394 269 K HA 0.243 4.564 4.320 0.001 0.000 0.260 269 K C 0.626 177.196 176.600 -0.049 0.000 0.967 269 K CA -0.471 55.776 56.287 -0.067 0.000 0.855 269 K CB 2.292 34.751 32.500 -0.068 0.000 1.101 269 K HN 0.541 nan 8.250 nan 0.000 0.433 270 V N 3.174 123.048 119.914 -0.065 0.000 2.324 270 V HA -0.302 3.819 4.120 0.001 0.000 0.250 270 V C 1.782 177.802 176.094 -0.124 0.000 1.060 270 V CA 2.824 65.051 62.300 -0.121 0.000 1.042 270 V CB -0.144 31.536 31.823 -0.240 0.000 0.650 270 V HN 0.927 nan 8.190 nan 0.000 0.450 271 A N -0.364 122.393 122.820 -0.105 0.000 1.970 271 A HA -0.099 4.221 4.320 0.001 0.000 0.216 271 A C 2.397 179.973 177.584 -0.014 0.000 1.170 271 A CA 1.368 53.360 52.037 -0.075 0.000 0.645 271 A CB -0.632 18.321 19.000 -0.077 0.000 0.816 271 A HN 0.567 nan 8.150 nan 0.000 0.447 272 R N 0.277 120.786 120.500 0.014 0.000 2.096 272 R HA -0.117 4.224 4.340 0.001 0.000 0.235 272 R C 1.742 178.068 176.300 0.043 0.000 1.127 272 R CA 1.960 58.101 56.100 0.068 0.000 0.968 272 R CB -0.289 30.084 30.300 0.121 0.000 0.861 272 R HN 0.527 nan 8.270 nan 0.000 0.440 273 V N -2.902 117.021 119.914 0.014 0.000 3.649 273 V HA 0.362 4.483 4.120 0.001 0.000 0.275 273 V C 0.838 176.941 176.094 0.015 0.000 1.281 273 V CA 0.814 63.122 62.300 0.014 0.000 1.143 273 V CB 0.301 32.126 31.823 0.004 0.000 0.892 273 V HN 0.465 nan 8.190 nan 0.000 0.441 274 G N -1.547 107.257 108.800 0.007 0.000 2.163 274 G HA2 0.305 4.266 3.960 0.001 0.000 0.213 274 G HA3 0.305 4.266 3.960 0.001 0.000 0.213 274 G C 1.048 175.948 174.900 -0.000 0.000 0.991 274 G CA -0.006 45.100 45.100 0.010 0.000 0.653 274 G HN 2.311 nan 8.290 nan 0.000 0.518 275 G N -1.766 107.008 108.800 -0.042 0.000 2.373 275 G HA2 0.195 4.155 3.960 0.001 0.000 0.634 275 G HA3 0.195 4.155 3.960 0.001 0.000 0.634 275 G C 0.243 175.093 174.900 -0.084 0.000 1.267 275 G CA 0.429 45.478 45.100 -0.086 0.000 1.008 275 G HN 0.573 nan 8.290 nan 0.000 0.497 276 H N -0.084 118.999 119.070 0.021 0.000 2.357 276 H HA 0.020 4.577 4.556 0.001 0.000 0.301 276 H C 3.073 178.357 175.328 -0.073 0.000 1.082 276 H CA 2.435 58.396 56.048 -0.145 0.000 1.342 276 H CB -0.462 28.954 29.762 -0.576 0.000 1.389 276 H HN 0.738 nan 8.280 nan 0.000 0.511 277 A N 1.054 124.038 122.820 0.273 0.000 1.877 277 A HA -0.197 4.124 4.320 0.001 0.000 0.216 277 A C 2.375 180.058 177.584 0.165 0.000 1.186 277 A CA 1.924 54.132 52.037 0.286 0.000 0.620 277 A CB -0.334 18.908 19.000 0.403 0.000 0.822 277 A HN 0.354 nan 8.150 nan 0.000 0.443 278 E N -0.029 120.250 120.200 0.131 0.000 2.152 278 E HA -0.066 4.285 4.350 0.001 0.000 0.192 278 E C 2.113 178.757 176.600 0.073 0.000 0.983 278 E CA 1.304 57.756 56.400 0.087 0.000 0.818 278 E CB -0.203 29.533 29.700 0.061 0.000 0.758 278 E HN 0.480 nan 8.360 nan 0.000 0.467 279 S N -0.111 115.629 115.700 0.067 0.000 2.368 279 S HA -0.127 4.344 4.470 0.001 0.000 0.224 279 S C 1.873 176.545 174.600 0.119 0.000 1.029 279 S CA 1.162 59.406 58.200 0.072 0.000 0.988 279 S CB -0.254 62.980 63.200 0.058 0.000 0.838 279 S HN 0.280 nan 8.310 nan 0.000 0.462 280 R N 1.131 121.700 120.500 0.115 0.000 2.096 280 R HA -0.007 4.333 4.340 0.001 0.000 0.235 280 R C 2.365 178.779 176.300 0.190 0.000 1.127 280 R CA 1.142 57.331 56.100 0.148 0.000 0.968 280 R CB -0.081 30.275 30.300 0.093 0.000 0.861 280 R HN 0.277 nan 8.270 nan 0.000 0.440 281 R N -0.290 120.290 120.500 0.132 0.000 2.091 281 R HA -0.106 4.235 4.340 0.001 0.000 0.238 281 R C 2.276 178.624 176.300 0.081 0.000 1.136 281 R CA 1.669 57.831 56.100 0.103 0.000 0.959 281 R CB -0.371 29.979 30.300 0.084 0.000 0.856 281 R HN 0.103 nan 8.270 nan 0.000 0.437 282 V N 0.304 120.260 119.914 0.069 0.000 2.343 282 V HA -0.280 3.841 4.120 0.001 0.000 0.247 282 V C 2.248 178.350 176.094 0.013 0.000 1.051 282 V CA 2.272 64.587 62.300 0.025 0.000 1.036 282 V CB -0.681 31.139 31.823 -0.006 0.000 0.654 282 V HN 0.441 nan 8.190 nan 0.000 0.451 283 H N 0.560 119.597 119.070 -0.056 0.000 2.352 283 H HA -0.185 4.372 4.556 0.001 0.000 0.299 283 H C 1.931 177.238 175.328 -0.035 0.000 1.097 283 H CA 2.265 58.253 56.048 -0.100 0.000 1.311 283 H CB -0.134 29.593 29.762 -0.058 0.000 1.377 283 H HN 0.398 nan 8.280 nan 0.000 0.504 284 D N -0.284 120.060 120.400 -0.093 0.000 2.194 284 D HA -0.085 4.555 4.640 0.001 0.000 0.204 284 D C 2.433 178.702 176.300 -0.052 0.000 0.964 284 D CA 0.944 54.877 54.000 -0.111 0.000 0.846 284 D CB -0.176 40.648 40.800 0.040 0.000 0.962 284 D HN 0.313 nan 8.370 nan 0.000 0.490 285 V N 1.529 121.448 119.914 0.008 0.000 2.307 285 V HA -0.224 3.896 4.120 0.001 0.000 0.245 285 V C 2.550 178.735 176.094 0.152 0.000 1.045 285 V CA 1.835 64.188 62.300 0.087 0.000 1.024 285 V CB -0.748 31.135 31.823 0.100 0.000 0.651 285 V HN 0.172 nan 8.190 nan 0.000 0.449 286 A N -0.437 122.403 122.820 0.032 0.000 1.883 286 A HA -0.349 3.972 4.320 0.001 0.000 0.217 286 A C 2.214 179.813 177.584 0.026 0.000 1.186 286 A CA 2.385 54.428 52.037 0.010 0.000 0.624 286 A CB -0.644 18.293 19.000 -0.105 0.000 0.822 286 A HN 0.619 nan 8.150 nan 0.000 0.444 287 Q N 0.563 120.305 119.800 -0.096 0.000 2.135 287 Q HA -0.181 4.160 4.340 0.001 0.000 0.204 287 Q C 2.068 178.051 176.000 -0.027 0.000 0.981 287 Q CA 2.554 58.295 55.803 -0.103 0.000 0.856 287 Q CB -0.346 28.255 28.738 -0.229 0.000 0.902 287 Q HN 0.755 nan 8.270 nan 0.000 0.425 288 S N -1.133 114.559 115.700 -0.014 0.000 2.447 288 S HA -0.082 4.388 4.470 0.001 0.000 0.233 288 S C 1.197 175.724 174.600 -0.122 0.000 1.006 288 S CA 0.577 58.735 58.200 -0.070 0.000 0.957 288 S CB -0.378 62.759 63.200 -0.105 0.000 0.773 288 S HN 0.454 nan 8.310 nan 0.000 0.507 289 F N 2.129 122.049 119.950 -0.050 0.000 2.732 289 F HA 0.394 4.922 4.527 0.001 0.000 0.303 289 F C 1.814 177.593 175.800 -0.035 0.000 1.110 289 F CA -0.022 57.955 58.000 -0.038 0.000 1.355 289 F CB -0.288 38.689 39.000 -0.039 0.000 1.081 289 F HN 0.354 nan 8.300 nan 0.000 0.565 290 G N 1.344 110.204 108.800 0.101 0.000 2.341 290 G HA2 -0.141 3.819 3.960 0.001 0.000 0.292 290 G HA3 -0.141 3.819 3.960 0.001 0.000 0.292 290 G C 0.130 175.066 174.900 0.060 0.000 1.021 290 G CA 0.207 45.341 45.100 0.056 0.000 0.905 290 G HN 0.652 nan 8.290 nan 0.000 0.508 291 A N 0.417 123.272 122.820 0.059 0.000 2.317 291 A HA 0.907 5.228 4.320 0.001 0.000 0.327 291 A C -1.596 175.978 177.584 -0.017 0.000 1.178 291 A CA -1.522 50.525 52.037 0.018 0.000 0.817 291 A CB 1.941 20.932 19.000 -0.016 0.000 1.189 291 A HN 0.220 nan 8.150 nan 0.000 0.489 292 P HA 0.435 nan 4.420 nan 0.000 0.279 292 P C -0.331 176.945 177.300 -0.040 0.000 1.252 292 P CA -0.168 62.930 63.100 -0.003 0.000 0.811 292 P CB 1.423 33.163 31.700 0.068 0.000 1.035 293 V N -1.144 118.698 119.914 -0.120 0.000 3.019 293 V HA 0.838 4.959 4.120 0.001 0.000 0.317 293 V C -0.805 175.254 176.094 -0.058 0.000 1.094 293 V CA -0.844 61.323 62.300 -0.222 0.000 1.000 293 V CB 2.187 33.716 31.823 -0.490 0.000 1.060 293 V HN 0.785 nan 8.190 nan 0.000 0.443 294 W N 0.206 121.430 121.300 -0.126 0.000 3.029 294 W HA 0.666 5.327 4.660 0.001 0.000 0.339 294 W C -1.149 175.528 176.519 0.263 0.000 1.198 294 W CA -1.529 55.899 57.345 0.138 0.000 1.148 294 W CB 1.115 30.652 29.460 0.129 0.000 1.451 294 W HN 0.862 nan 8.180 nan 0.000 0.564 295 C N 2.995 122.674 119.300 0.632 0.000 2.373 295 C HA 0.654 5.115 4.460 0.001 0.000 0.354 295 C C 1.132 176.255 174.990 0.222 0.000 1.249 295 C CA 0.546 59.782 59.018 0.365 0.000 1.784 295 C CB -1.000 26.877 27.740 0.227 0.000 2.408 295 C HN 0.781 nan 8.230 nan 0.000 0.542 296 G N 4.081 112.838 108.800 -0.071 0.000 2.562 296 G HA2 0.610 4.571 3.960 0.001 0.000 0.275 296 G HA3 0.610 4.571 3.960 0.001 0.000 0.275 296 G C -0.011 174.896 174.900 0.011 0.000 1.196 296 G CA 0.066 45.118 45.100 -0.079 0.000 0.908 296 G HN 1.177 nan 8.290 nan 0.000 0.524 297 G N -1.012 107.798 108.800 0.016 0.000 2.533 297 G HA2 0.521 4.481 3.960 0.001 0.000 0.304 297 G HA3 0.521 4.481 3.960 0.001 0.000 0.304 297 G C -0.280 174.547 174.900 -0.122 0.000 1.263 297 G CA -0.621 44.459 45.100 -0.033 0.000 0.964 297 G HN 0.400 nan 8.290 nan 0.000 0.479 298 M N 2.085 121.592 119.600 -0.155 0.000 4.045 298 M HA 0.276 4.757 4.480 0.001 0.000 0.498 298 M C 0.380 176.584 176.300 -0.160 0.000 1.896 298 M CA -0.197 54.986 55.300 -0.195 0.000 0.626 298 M CB 0.029 32.496 32.600 -0.221 0.000 1.458 298 M HN 0.613 nan 8.290 nan 0.000 0.556 299 L N 1.329 122.409 121.223 -0.238 0.000 3.597 299 L HA -0.254 4.087 4.340 0.001 0.000 0.440 299 L C -0.354 176.491 176.870 -0.042 0.000 1.277 299 L CA 0.557 55.207 54.840 -0.317 0.000 0.852 299 L CB -0.709 41.228 42.059 -0.202 0.000 1.708 299 L HN 0.413 nan 8.230 nan 0.000 0.885 300 E N -0.051 120.131 120.200 -0.030 0.000 2.366 300 E HA 0.340 4.690 4.350 0.001 0.000 0.266 300 E C 0.645 177.448 176.600 0.339 0.000 1.051 300 E CA 0.509 56.980 56.400 0.118 0.000 0.884 300 E CB 0.897 30.625 29.700 0.046 0.000 1.006 300 E HN 0.391 nan 8.360 nan 0.000 0.417 301 S N 0.964 116.774 115.700 0.185 0.000 2.634 301 S HA 0.171 4.642 4.470 0.001 0.000 0.254 301 S C 1.436 176.057 174.600 0.034 0.000 1.299 301 S CA -0.172 57.980 58.200 -0.081 0.000 0.974 301 S CB 0.755 63.753 63.200 -0.337 0.000 1.001 301 S HN 0.590 nan 8.310 nan 0.000 0.584 302 G N -0.081 108.703 108.800 -0.028 0.000 2.471 302 G HA2 -0.031 3.929 3.960 0.001 0.000 0.219 302 G HA3 -0.031 3.929 3.960 0.001 0.000 0.219 302 G C 1.260 176.198 174.900 0.062 0.000 1.125 302 G CA 0.546 45.674 45.100 0.048 0.000 0.775 302 G HN 0.573 nan 8.290 nan 0.000 0.548 303 I N 1.914 122.514 120.570 0.049 0.000 2.113 303 I HA -0.102 4.069 4.170 0.001 0.000 0.238 303 I C 3.040 179.281 176.117 0.208 0.000 1.070 303 I CA 1.620 62.988 61.300 0.113 0.000 1.332 303 I CB -1.557 36.494 38.000 0.085 0.000 1.044 303 I HN 0.220 nan 8.210 nan 0.000 0.402 304 G N 0.194 109.071 108.800 0.128 0.000 2.418 304 G HA2 -0.280 3.681 3.960 0.001 0.000 0.217 304 G HA3 -0.280 3.681 3.960 0.001 0.000 0.217 304 G C 1.927 176.907 174.900 0.133 0.000 1.158 304 G CA 0.782 45.949 45.100 0.111 0.000 0.771 304 G HN 0.294 nan 8.290 nan 0.000 0.545 305 R N 0.428 120.994 120.500 0.111 0.000 2.091 305 R HA -0.036 4.304 4.340 0.001 0.000 0.238 305 R C 2.871 179.238 176.300 0.111 0.000 1.136 305 R CA 1.571 57.732 56.100 0.101 0.000 0.959 305 R CB -0.333 30.036 30.300 0.116 0.000 0.856 305 R HN 0.315 nan 8.270 nan 0.000 0.437 306 A N 0.074 122.968 122.820 0.123 0.000 1.898 306 A HA -0.169 4.151 4.320 0.001 0.000 0.216 306 A C 1.889 179.566 177.584 0.156 0.000 1.181 306 A CA 1.378 53.487 52.037 0.120 0.000 0.620 306 A CB -0.813 18.227 19.000 0.068 0.000 0.819 306 A HN 0.445 nan 8.150 nan 0.000 0.442 307 H N -0.049 119.087 119.070 0.111 0.000 2.387 307 H HA -0.114 4.443 4.556 0.001 0.000 0.299 307 H C 1.851 177.271 175.328 0.153 0.000 1.099 307 H CA 1.722 57.863 56.048 0.155 0.000 1.315 307 H CB -0.059 29.799 29.762 0.161 0.000 1.380 307 H HN 0.434 nan 8.280 nan 0.000 0.513 308 N N 0.792 119.609 118.700 0.196 0.000 2.106 308 N HA -0.094 4.647 4.740 0.001 0.000 0.188 308 N C 2.198 177.702 175.510 -0.010 0.000 1.029 308 N CA 0.654 53.747 53.050 0.071 0.000 0.848 308 N CB -0.387 38.126 38.487 0.043 0.000 1.007 308 N HN 0.341 nan 8.380 nan 0.000 0.423 309 I N 0.572 121.147 120.570 0.007 0.000 2.226 309 I HA -0.274 3.897 4.170 0.001 0.000 0.245 309 I C 2.155 178.168 176.117 -0.172 0.000 1.100 309 I CA 1.103 62.351 61.300 -0.087 0.000 1.374 309 I CB -0.325 37.627 38.000 -0.080 0.000 1.057 309 I HN 0.284 nan 8.210 nan 0.000 0.413 310 H N -0.025 118.967 119.070 -0.130 0.000 2.353 310 H HA -0.154 4.402 4.556 0.001 0.000 0.300 310 H C 2.180 177.367 175.328 -0.236 0.000 1.090 310 H CA 1.557 57.496 56.048 -0.181 0.000 1.327 310 H CB -0.063 29.573 29.762 -0.209 0.000 1.383 310 H HN 0.213 nan 8.280 nan 0.000 0.508 311 L N 0.859 122.032 121.223 -0.082 0.000 2.083 311 L HA -0.116 4.225 4.340 0.001 0.000 0.209 311 L C 2.167 178.678 176.870 -0.598 0.000 1.083 311 L CA 1.413 56.136 54.840 -0.196 0.000 0.752 311 L CB -0.560 41.483 42.059 -0.028 0.000 0.899 311 L HN -0.039 nan 8.230 nan 0.000 0.433 312 S N -1.186 114.078 115.700 -0.726 0.000 2.507 312 S HA -0.114 4.357 4.470 0.001 0.000 0.235 312 S C 1.701 175.963 174.600 -0.564 0.000 0.988 312 S CA 1.101 58.648 58.200 -1.088 0.000 0.944 312 S CB -0.676 62.190 63.200 -0.557 0.000 0.762 312 S HN 0.791 nan 8.310 nan 0.000 0.526 313 T N -0.197 114.139 114.554 -0.363 0.000 3.113 313 T HA 0.131 4.482 4.350 0.001 0.000 0.263 313 T C 0.502 175.097 174.700 -0.174 0.000 1.143 313 T CA 0.059 62.025 62.100 -0.224 0.000 1.090 313 T CB -0.400 68.347 68.868 -0.201 0.000 0.922 313 T HN -0.014 nan 8.240 nan 0.000 0.521 314 L N 2.973 124.099 121.223 -0.162 0.000 2.452 314 L HA 0.274 4.615 4.340 0.001 0.000 0.267 314 L C 1.871 178.825 176.870 0.140 0.000 1.188 314 L CA 0.303 55.098 54.840 -0.074 0.000 0.821 314 L CB 0.871 42.749 42.059 -0.301 0.000 1.102 314 L HN 0.355 nan 8.230 nan 0.000 0.470 315 S N 0.424 116.228 115.700 0.174 0.000 2.453 315 S HA -0.112 4.359 4.470 0.001 0.000 0.231 315 S C 1.211 175.979 174.600 0.279 0.000 1.005 315 S CA 1.008 59.315 58.200 0.178 0.000 0.949 315 S CB -0.461 62.807 63.200 0.113 0.000 0.774 315 S HN 0.764 nan 8.310 nan 0.000 0.510 316 N N -0.256 118.765 118.700 0.536 0.000 2.322 316 N HA 0.130 4.871 4.740 0.001 0.000 0.194 316 N C -0.984 174.603 175.510 0.129 0.000 1.126 316 N CA -0.251 52.919 53.050 0.200 0.000 0.845 316 N CB 0.039 38.398 38.487 -0.212 0.000 0.976 316 N HN 0.325 nan 8.380 nan 0.000 0.475 317 F N 1.324 121.404 119.950 0.217 0.000 2.679 317 F HA 0.206 4.734 4.527 0.002 0.000 0.351 317 F C 1.460 177.337 175.800 0.128 0.000 1.279 317 F CA -0.036 58.059 58.000 0.157 0.000 1.227 317 F CB 0.280 39.338 39.000 0.097 0.000 1.623 317 F HN -0.119 nan 8.300 nan 0.000 0.666 318 R N 0.994 121.622 120.500 0.213 0.000 2.312 318 R HA 0.296 4.637 4.340 0.001 0.000 0.205 318 R C -0.087 176.302 176.300 0.148 0.000 0.904 318 R CA 0.167 56.360 56.100 0.154 0.000 1.052 318 R CB 0.409 30.772 30.300 0.105 0.000 1.014 318 R HN 0.395 nan 8.270 nan 0.000 0.503 319 L N 0.641 121.983 121.223 0.199 0.000 2.333 319 L HA 0.501 4.842 4.340 0.001 0.000 0.269 319 L C -2.361 174.617 176.870 0.180 0.000 1.010 319 L CA -2.663 52.266 54.840 0.148 0.000 0.818 319 L CB 1.783 43.911 42.059 0.115 0.000 1.306 319 L HN -0.251 nan 8.230 nan 0.000 0.430 320 P HA 0.139 nan 4.420 nan 0.000 0.269 320 P C -0.477 176.925 177.300 0.169 0.000 1.215 320 P CA -0.161 62.997 63.100 0.097 0.000 0.780 320 P CB 0.630 32.346 31.700 0.027 0.000 0.898 321 G N 0.299 109.240 108.800 0.234 0.000 2.489 321 G HA2 0.297 4.258 3.960 0.001 0.000 0.327 321 G HA3 0.297 4.258 3.960 0.001 0.000 0.327 321 G C -0.833 174.220 174.900 0.255 0.000 1.189 321 G CA -0.496 44.818 45.100 0.357 0.000 0.962 321 G HN 0.309 nan 8.290 nan 0.000 0.486 322 D N 1.358 121.941 120.400 0.304 0.000 2.845 322 D HA 0.171 4.811 4.640 0.001 0.000 0.235 322 D C 0.771 177.160 176.300 0.148 0.000 1.158 322 D CA 0.208 54.329 54.000 0.202 0.000 0.990 322 D CB 0.215 41.145 40.800 0.217 0.000 1.094 322 D HN 0.386 nan 8.370 nan 0.000 0.486 323 T N -2.410 112.231 114.554 0.144 0.000 3.516 323 T HA 0.240 4.590 4.350 0.001 0.000 0.245 323 T C 0.657 175.450 174.700 0.156 0.000 1.077 323 T CA -0.789 61.384 62.100 0.122 0.000 1.222 323 T CB 0.011 68.927 68.868 0.079 0.000 1.045 323 T HN 0.050 nan 8.240 nan 0.000 0.585 324 S N 0.968 116.798 115.700 0.216 0.000 2.626 324 S HA 0.483 4.954 4.470 0.001 0.000 0.257 324 S C 0.475 175.226 174.600 0.252 0.000 1.288 324 S CA -0.610 57.741 58.200 0.252 0.000 0.980 324 S CB 0.371 63.729 63.200 0.264 0.000 0.975 324 S HN 0.421 nan 8.310 nan 0.000 0.577 325 S N 0.822 116.635 115.700 0.188 0.000 2.558 325 S HA 0.269 4.739 4.470 0.001 0.000 0.293 325 S C 1.539 176.276 174.600 0.228 0.000 1.292 325 S CA -0.070 58.221 58.200 0.151 0.000 1.063 325 S CB 0.307 63.554 63.200 0.079 0.000 0.831 325 S HN 0.957 nan 8.310 nan 0.000 0.499 326 A N 3.485 126.458 122.820 0.254 0.000 1.972 326 A HA -0.097 4.223 4.320 0.001 0.000 0.219 326 A C 2.291 180.062 177.584 0.312 0.000 1.169 326 A CA 1.647 53.915 52.037 0.385 0.000 0.635 326 A CB -0.961 18.247 19.000 0.347 0.000 0.810 326 A HN 0.936 nan 8.150 nan 0.000 0.446 327 S N 0.147 115.944 115.700 0.163 0.000 2.440 327 S HA -0.188 4.283 4.470 0.001 0.000 0.238 327 S C 1.723 176.308 174.600 -0.026 0.000 1.010 327 S CA 1.190 59.441 58.200 0.085 0.000 0.972 327 S CB -0.501 62.726 63.200 0.046 0.000 0.774 327 S HN 0.662 nan 8.310 nan 0.000 0.501 328 R N -0.635 119.776 120.500 -0.148 0.000 2.280 328 R HA 0.109 4.449 4.340 0.001 0.000 0.207 328 R C 1.033 176.963 176.300 -0.617 0.000 1.043 328 R CA 1.145 57.000 56.100 -0.409 0.000 1.006 328 R CB -0.231 29.703 30.300 -0.609 0.000 0.885 328 R HN 0.614 nan 8.270 nan 0.000 0.467 329 Y N -2.355 117.784 120.300 -0.268 0.000 2.638 329 Y HA 0.158 4.709 4.550 0.001 0.000 0.275 329 Y C 0.239 175.736 175.900 -0.672 0.000 1.122 329 Y CA -0.554 57.166 58.100 -0.633 0.000 1.266 329 Y CB 0.623 38.456 38.460 -1.045 0.000 1.317 329 Y HN -0.062 nan 8.280 nan 0.000 0.501 330 W N 1.928 123.324 121.300 0.160 0.000 2.538 330 W HA 0.322 4.983 4.660 0.002 0.000 0.322 330 W C 0.565 177.112 176.519 0.047 0.000 1.028 330 W CA -1.018 56.387 57.345 0.100 0.000 1.228 330 W CB 1.328 30.855 29.460 0.113 0.000 1.356 330 W HN -0.047 nan 8.180 nan 0.000 0.452 331 E N 1.329 121.676 120.200 0.246 0.000 2.113 331 E HA -0.252 4.099 4.350 0.001 0.000 0.210 331 E C 0.406 177.072 176.600 0.110 0.000 1.040 331 E CA 1.542 58.026 56.400 0.140 0.000 0.847 331 E CB -0.055 29.718 29.700 0.121 0.000 0.755 331 E HN 0.417 nan 8.360 nan 0.000 0.459 332 R N -0.019 120.564 120.500 0.139 0.000 2.535 332 R HA 0.197 4.537 4.340 0.001 0.000 0.274 332 R C -1.608 174.687 176.300 -0.009 0.000 1.090 332 R CA -0.566 55.503 56.100 -0.052 0.000 0.930 332 R CB 1.423 31.512 30.300 -0.351 0.000 1.223 332 R HN 0.009 nan 8.270 nan 0.000 0.441 333 D N 2.363 122.732 120.400 -0.052 0.000 2.423 333 D HA 0.184 4.824 4.640 0.001 0.000 0.255 333 D C 0.993 177.288 176.300 -0.008 0.000 1.174 333 D CA -0.341 53.607 54.000 -0.087 0.000 1.008 333 D CB 1.257 42.045 40.800 -0.020 0.000 1.101 333 D HN 0.527 nan 8.370 nan 0.000 0.516 334 L N 0.748 121.950 121.223 -0.035 0.000 2.558 334 L HA 0.176 4.517 4.340 0.001 0.000 0.225 334 L C 0.782 177.687 176.870 0.059 0.000 1.128 334 L CA 0.180 55.064 54.840 0.073 0.000 0.868 334 L CB -0.253 41.766 42.059 -0.067 0.000 1.006 334 L HN 0.335 nan 8.230 nan 0.000 0.454 335 I N -4.698 115.881 120.570 0.016 0.000 2.750 335 I HA 0.226 4.397 4.170 0.001 0.000 0.308 335 I C 0.733 176.855 176.117 0.008 0.000 1.016 335 I CA -0.762 60.549 61.300 0.017 0.000 1.098 335 I CB 1.287 39.295 38.000 0.012 0.000 1.279 335 I HN -0.083 nan 8.210 nan 0.000 0.454 336 Q N 0.997 120.802 119.800 0.009 0.000 2.230 336 Q HA -0.014 4.327 4.340 0.001 0.000 0.202 336 Q C -0.407 175.591 176.000 -0.004 0.000 0.963 336 Q CA 1.102 56.904 55.803 -0.001 0.000 0.866 336 Q CB -0.036 28.705 28.738 0.005 0.000 0.931 336 Q HN 0.645 nan 8.270 nan 0.000 0.452 337 E N 1.763 121.966 120.200 0.004 0.000 2.197 337 E HA 0.185 4.536 4.350 0.001 0.000 0.281 337 E C -2.400 174.210 176.600 0.016 0.000 0.995 337 E CA -2.281 54.124 56.400 0.008 0.000 0.808 337 E CB 0.797 30.504 29.700 0.011 0.000 1.093 337 E HN -0.003 nan 8.360 nan 0.000 0.394 338 P HA 0.139 nan 4.420 nan 0.000 0.281 338 P C -0.825 176.497 177.300 0.038 0.000 1.252 338 P CA -0.243 62.875 63.100 0.029 0.000 0.778 338 P CB 0.672 32.383 31.700 0.019 0.000 0.895 339 L N 3.812 125.073 121.223 0.062 0.000 2.321 339 L HA 0.349 4.690 4.340 0.001 0.000 0.272 339 L C 0.481 177.394 176.870 0.071 0.000 1.050 339 L CA -0.158 54.721 54.840 0.064 0.000 0.893 339 L CB 0.474 42.584 42.059 0.086 0.000 1.272 339 L HN 0.204 nan 8.230 nan 0.000 0.435 340 E N 2.732 122.957 120.200 0.042 0.000 2.185 340 E HA 0.507 4.857 4.350 0.001 0.000 0.261 340 E C -0.542 176.065 176.600 0.011 0.000 0.879 340 E CA -0.469 55.952 56.400 0.034 0.000 0.756 340 E CB 2.557 32.270 29.700 0.021 0.000 1.152 340 E HN 0.491 nan 8.360 nan 0.000 0.416 341 A N 2.477 125.303 122.820 0.010 0.000 2.340 341 A HA 0.536 4.857 4.320 0.001 0.000 0.268 341 A C -0.179 177.363 177.584 -0.070 0.000 1.100 341 A CA -0.399 51.622 52.037 -0.026 0.000 0.803 341 A CB 0.674 19.662 19.000 -0.019 0.000 1.043 341 A HN 0.332 nan 8.150 nan 0.000 0.488 342 V N 2.222 122.086 119.914 -0.084 0.000 2.623 342 V HA 0.376 4.497 4.120 0.001 0.000 0.304 342 V C -0.122 175.903 176.094 -0.115 0.000 1.054 342 V CA 0.194 62.437 62.300 -0.095 0.000 0.882 342 V CB 1.402 33.190 31.823 -0.059 0.000 1.002 342 V HN 1.148 nan 8.190 nan 0.000 0.424 343 D N 4.016 124.326 120.400 -0.149 0.000 2.772 343 D HA -0.167 4.474 4.640 0.001 0.000 0.233 343 D C 1.232 177.439 176.300 -0.155 0.000 1.143 343 D CA 2.103 56.019 54.000 -0.140 0.000 0.700 343 D CB -1.016 39.735 40.800 -0.082 0.000 1.076 343 D HN 1.651 nan 8.370 nan 0.000 0.430 344 G N -1.246 107.405 108.800 -0.249 0.000 2.168 344 G HA2 -0.286 3.675 3.960 0.001 0.000 0.257 344 G HA3 -0.286 3.675 3.960 0.001 0.000 0.257 344 G C 0.243 175.099 174.900 -0.073 0.000 0.997 344 G CA 0.521 45.509 45.100 -0.186 0.000 0.708 344 G HN 0.597 nan 8.290 nan 0.000 0.520 345 L N -0.479 120.700 121.223 -0.074 0.000 2.356 345 L HA 0.722 5.063 4.340 0.001 0.000 0.277 345 L C 0.086 176.934 176.870 -0.036 0.000 0.996 345 L CA -1.099 53.716 54.840 -0.040 0.000 0.822 345 L CB 1.867 43.903 42.059 -0.038 0.000 1.256 345 L HN 0.150 nan 8.230 nan 0.000 0.413 346 M N 7.085 126.673 119.600 -0.021 0.000 2.129 346 M HA 0.505 4.985 4.480 0.001 0.000 0.348 346 M C -2.513 173.762 176.300 -0.041 0.000 1.116 346 M CA -2.220 53.069 55.300 -0.019 0.000 1.022 346 M CB 1.193 33.794 32.600 0.002 0.000 1.599 346 M HN 0.092 nan 8.290 nan 0.000 0.449 347 P HA 0.120 nan 4.420 nan 0.000 0.275 347 P C -0.883 176.362 177.300 -0.091 0.000 1.228 347 P CA -0.352 62.712 63.100 -0.060 0.000 0.786 347 P CB 0.480 32.154 31.700 -0.043 0.000 0.927 348 V N 5.151 124.982 119.914 -0.138 0.000 2.521 348 V HA 0.086 4.207 4.120 0.001 0.000 0.286 348 V C -1.573 174.432 176.094 -0.148 0.000 1.034 348 V CA -1.031 61.125 62.300 -0.240 0.000 1.045 348 V CB -0.231 31.396 31.823 -0.327 0.000 0.974 348 V HN 0.601 nan 8.190 nan 0.000 0.480 349 P HA 0.137 nan 4.420 nan 0.000 0.267 349 P C -0.569 176.749 177.300 0.030 0.000 1.205 349 P CA -0.307 62.793 63.100 -0.001 0.000 0.765 349 P CB 0.483 32.215 31.700 0.054 0.000 0.828 350 Q N 2.088 121.895 119.800 0.011 0.000 2.394 350 Q HA 0.551 4.892 4.340 0.001 0.000 0.248 350 Q C 0.340 176.353 176.000 0.021 0.000 0.992 350 Q CA -0.065 55.746 55.803 0.013 0.000 0.888 350 Q CB 0.547 29.283 28.738 -0.003 0.000 1.257 350 Q HN 0.823 nan 8.270 nan 0.000 0.462 351 G N 0.844 109.653 108.800 0.015 0.000 2.354 351 G HA2 0.071 4.031 3.960 0.001 0.000 0.582 351 G HA3 0.071 4.031 3.960 0.001 0.000 0.582 351 G C -3.010 171.875 174.900 -0.025 0.000 1.316 351 G CA -0.625 44.470 45.100 -0.008 0.000 0.995 351 G HN 0.746 nan 8.290 nan 0.000 0.573 352 P HA 0.462 nan 4.420 nan 0.000 0.271 352 P C 1.261 178.477 177.300 -0.140 0.000 1.218 352 P CA 1.670 64.715 63.100 -0.092 0.000 0.780 352 P CB 0.944 32.591 31.700 -0.088 0.000 0.901 353 G N 2.768 111.453 108.800 -0.192 0.000 2.583 353 G HA2 -0.358 3.603 3.960 0.001 0.000 0.292 353 G HA3 -0.358 3.603 3.960 0.001 0.000 0.292 353 G C 1.107 175.688 174.900 -0.530 0.000 1.203 353 G CA 1.093 46.023 45.100 -0.284 0.000 0.987 353 G HN 0.694 nan 8.290 nan 0.000 0.554 354 T N -0.870 113.366 114.554 -0.531 0.000 3.007 354 T HA 0.341 4.692 4.350 0.001 0.000 0.270 354 T C 2.707 177.272 174.700 -0.226 0.000 1.107 354 T CA 1.885 63.597 62.100 -0.646 0.000 1.118 354 T CB -0.356 68.222 68.868 -0.483 0.000 0.889 354 T HN 2.798 nan 8.240 nan 0.000 0.506 355 G N 0.721 109.440 108.800 -0.134 0.000 2.153 355 G HA2 -0.182 3.778 3.960 0.001 0.000 0.252 355 G HA3 -0.182 3.778 3.960 0.001 0.000 0.252 355 G C 0.175 175.075 174.900 0.000 0.000 0.994 355 G CA 0.513 45.608 45.100 -0.008 0.000 0.698 355 G HN 1.613 nan 8.290 nan 0.000 0.521 356 V N -3.847 116.051 119.914 -0.026 0.000 3.126 356 V HA 1.018 5.139 4.120 0.001 0.000 0.314 356 V C -0.141 175.945 176.094 -0.014 0.000 1.138 356 V CA -0.228 62.067 62.300 -0.008 0.000 1.034 356 V CB 2.247 34.073 31.823 0.006 0.000 1.075 356 V HN 0.656 nan 8.190 nan 0.000 0.442 357 T N 2.700 117.253 114.554 -0.001 0.000 3.011 357 T HA 0.526 4.876 4.350 0.001 0.000 0.303 357 T C -0.451 174.258 174.700 0.014 0.000 0.997 357 T CA -0.407 61.695 62.100 0.004 0.000 1.007 357 T CB 1.191 70.062 68.868 0.005 0.000 1.017 357 T HN 0.790 nan 8.240 nan 0.000 0.443 358 L N 2.679 123.912 121.223 0.017 0.000 2.514 358 L HA 0.112 4.452 4.340 0.001 0.000 0.280 358 L C 0.665 177.559 176.870 0.040 0.000 1.223 358 L CA 0.002 54.858 54.840 0.027 0.000 0.864 358 L CB 0.326 42.400 42.059 0.024 0.000 1.118 358 L HN 0.651 nan 8.230 nan 0.000 0.494 359 D N 3.213 123.651 120.400 0.064 0.000 2.441 359 D HA 0.071 4.712 4.640 0.001 0.000 0.221 359 D C 1.033 177.388 176.300 0.092 0.000 1.156 359 D CA -0.362 53.689 54.000 0.086 0.000 0.896 359 D CB 0.699 41.574 40.800 0.125 0.000 1.028 359 D HN 0.283 nan 8.370 nan 0.000 0.509 360 R N 2.161 122.696 120.500 0.060 0.000 2.081 360 R HA -0.108 4.232 4.340 0.001 0.000 0.235 360 R C 1.593 177.918 176.300 0.041 0.000 1.131 360 R CA 0.719 56.844 56.100 0.041 0.000 0.960 360 R CB -0.247 30.074 30.300 0.035 0.000 0.856 360 R HN 0.508 nan 8.270 nan 0.000 0.436 361 E N 0.033 120.272 120.200 0.065 0.000 2.072 361 E HA -0.123 4.228 4.350 0.001 0.000 0.191 361 E C 1.750 178.409 176.600 0.098 0.000 0.985 361 E CA 0.700 57.139 56.400 0.066 0.000 0.801 361 E CB -0.239 29.504 29.700 0.071 0.000 0.750 361 E HN 0.159 nan 8.360 nan 0.000 0.452 362 F N 1.342 121.288 119.950 -0.007 0.000 2.102 362 F HA -0.190 4.338 4.527 0.000 0.000 0.298 362 F C 2.210 178.000 175.800 -0.016 0.000 1.105 362 F CA 1.103 59.097 58.000 -0.010 0.000 1.239 362 F CB -0.650 38.340 39.000 -0.016 0.000 0.991 362 F HN 0.090 nan 8.300 nan 0.000 0.474 363 L N 1.129 122.276 121.223 -0.127 0.000 2.043 363 L HA -0.134 4.207 4.340 0.001 0.000 0.212 363 L C 2.430 179.166 176.870 -0.223 0.000 1.075 363 L CA 2.240 56.942 54.840 -0.229 0.000 0.752 363 L CB -1.521 40.492 42.059 -0.077 0.000 0.891 363 L HN 0.181 nan 8.230 nan 0.000 0.432 364 A N -1.136 121.608 122.820 -0.126 0.000 1.940 364 A HA -0.258 4.063 4.320 0.001 0.000 0.219 364 A C 2.352 179.862 177.584 -0.123 0.000 1.176 364 A CA 2.401 54.381 52.037 -0.095 0.000 0.631 364 A CB -1.462 17.512 19.000 -0.043 0.000 0.814 364 A HN 0.665 nan 8.150 nan 0.000 0.446 365 T N -2.165 112.291 114.554 -0.163 0.000 3.007 365 T HA 0.005 4.356 4.350 0.001 0.000 0.270 365 T C 1.009 175.594 174.700 -0.193 0.000 1.107 365 T CA 1.526 63.538 62.100 -0.146 0.000 1.118 365 T CB -0.519 68.294 68.868 -0.092 0.000 0.889 365 T HN 0.967 nan 8.240 nan 0.000 0.506 366 V N -2.431 117.308 119.914 -0.290 0.000 3.166 366 V HA 0.429 4.550 4.120 0.001 0.000 0.332 366 V C 0.169 176.170 176.094 -0.155 0.000 1.434 366 V CA -0.692 61.474 62.300 -0.223 0.000 1.121 366 V CB -0.347 31.284 31.823 -0.320 0.000 1.062 366 V HN 0.187 nan 8.190 nan 0.000 0.489 367 T N 1.446 115.921 114.554 -0.132 0.000 2.737 367 T HA 0.242 4.593 4.350 0.001 0.000 0.296 367 T C 0.940 175.602 174.700 -0.064 0.000 0.922 367 T CA 0.395 62.440 62.100 -0.091 0.000 1.079 367 T CB 1.533 70.355 68.868 -0.077 0.000 0.892 367 T HN 0.583 nan 8.240 nan 0.000 0.514 368 E N 2.066 122.235 120.200 -0.053 0.000 2.112 368 E HA 0.204 4.554 4.350 0.001 0.000 0.190 368 E C 0.590 177.170 176.600 -0.034 0.000 0.979 368 E CA 0.246 56.621 56.400 -0.042 0.000 0.814 368 E CB 0.304 29.983 29.700 -0.035 0.000 0.762 368 E HN 0.753 nan 8.360 nan 0.000 0.460 369 A N 0.473 123.274 122.820 -0.031 0.000 2.594 369 A HA 0.430 4.751 4.320 0.001 0.000 0.296 369 A C -1.567 176.005 177.584 -0.020 0.000 1.061 369 A CA -0.857 51.166 52.037 -0.024 0.000 0.689 369 A CB 1.410 20.399 19.000 -0.017 0.000 1.280 369 A HN 0.114 nan 8.150 nan 0.000 0.406 370 Q N 0.645 120.433 119.800 -0.019 0.000 2.534 370 Q HA 0.791 5.131 4.340 0.001 0.000 0.290 370 Q C -1.273 174.712 176.000 -0.026 0.000 0.991 370 Q CA -0.778 55.016 55.803 -0.015 0.000 0.783 370 Q CB 2.193 30.921 28.738 -0.016 0.000 1.470 370 Q HN 0.942 nan 8.270 nan 0.000 0.406 371 E N 0.397 120.578 120.200 -0.032 0.000 2.407 371 E HA 0.443 4.793 4.350 0.001 0.000 0.279 371 E C -1.559 174.961 176.600 -0.132 0.000 1.012 371 E CA -0.901 55.438 56.400 -0.101 0.000 0.800 371 E CB 2.391 32.026 29.700 -0.109 0.000 1.276 371 E HN 0.631 nan 8.360 nan 0.000 0.452 372 E N 1.292 121.339 120.200 -0.255 0.000 2.246 372 E HA 0.285 4.636 4.350 0.001 0.000 0.266 372 E C -1.379 175.008 176.600 -0.356 0.000 0.880 372 E CA -0.667 55.620 56.400 -0.189 0.000 0.762 372 E CB 1.309 30.958 29.700 -0.085 0.000 1.180 372 E HN 0.474 nan 8.360 nan 0.000 0.416 373 H N 3.199 122.295 119.070 0.043 0.000 2.524 373 H HA 0.530 5.086 4.556 0.001 0.000 0.353 373 H C -0.013 175.345 175.328 0.050 0.000 1.136 373 H CA -0.608 55.465 56.048 0.041 0.000 1.193 373 H CB 1.684 31.472 29.762 0.043 0.000 1.558 373 H HN 0.403 nan 8.280 nan 0.000 0.515 374 R N 0.639 121.229 120.500 0.151 0.000 2.950 374 R HA 0.679 5.019 4.340 0.001 0.000 0.253 374 R C -0.107 176.252 176.300 0.099 0.000 1.168 374 R CA -1.074 55.089 56.100 0.106 0.000 1.014 374 R CB 1.281 31.617 30.300 0.060 0.000 1.228 374 R HN 0.593 nan 8.270 nan 0.000 0.487 375 A N 0.000 122.864 122.820 0.074 0.000 2.254 375 A HA 0.000 4.321 4.320 0.001 0.000 0.244 375 A CA 0.000 52.072 52.037 0.059 0.000 0.836 375 A CB 0.000 19.025 19.000 0.042 0.000 0.831 375 A HN 0.000 nan 8.150 nan 0.000 0.486