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 1r0m_1_D 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 0.000 176.498 176.300 0.330 0.000 0.893 6 R CA 0.000 56.228 56.100 0.213 0.000 0.921 6 R CB 0.000 30.375 30.300 0.125 0.000 0.687 7 M N 2.055 121.775 119.600 0.199 0.000 2.202 7 M HA 0.389 4.869 4.480 -0.000 0.000 0.316 7 M C -0.605 175.839 176.300 0.240 0.000 1.138 7 M CA -0.116 55.269 55.300 0.142 0.000 1.151 7 M CB 0.341 32.917 32.600 -0.041 0.000 1.422 7 M HN 0.379 nan 8.290 nan 0.000 0.471 8 F N -0.470 119.560 119.950 0.133 0.000 2.540 8 F HA 0.668 5.195 4.527 -0.000 0.000 0.317 8 F C -0.776 175.103 175.800 0.132 0.000 1.104 8 F CA -1.238 56.850 58.000 0.147 0.000 0.913 8 F CB 0.952 40.076 39.000 0.206 0.000 1.170 8 F HN 0.402 nan 8.300 nan 0.000 0.450 9 K N 4.607 125.137 120.400 0.216 0.000 2.213 9 K HA 0.552 4.872 4.320 -0.000 0.000 0.270 9 K C -1.041 175.710 176.600 0.251 0.000 1.002 9 K CA -0.587 55.779 56.287 0.131 0.000 0.868 9 K CB 0.984 33.521 32.500 0.063 0.000 1.093 9 K HN 0.890 nan 8.250 nan 0.000 0.454 10 I N 5.145 125.885 120.570 0.284 0.000 2.308 10 I HA 0.040 4.210 4.170 -0.000 0.000 0.293 10 I C 0.758 176.993 176.117 0.195 0.000 1.078 10 I CA 0.051 61.520 61.300 0.281 0.000 1.292 10 I CB 1.036 39.223 38.000 0.312 0.000 1.423 10 I HN 0.776 nan 8.210 nan 0.000 0.493 11 E N 4.718 125.026 120.200 0.179 0.000 2.276 11 E HA 0.278 4.628 4.350 -0.000 0.000 0.193 11 E C 0.395 177.073 176.600 0.129 0.000 0.983 11 E CA 0.085 56.563 56.400 0.131 0.000 0.861 11 E CB 0.567 30.332 29.700 0.109 0.000 0.817 11 E HN 0.732 nan 8.360 nan 0.000 0.485 12 A N 0.571 123.499 122.820 0.180 0.000 2.612 12 A HA 0.780 5.100 4.320 -0.000 0.000 0.293 12 A C -1.689 176.058 177.584 0.271 0.000 1.075 12 A CA -0.335 51.812 52.037 0.183 0.000 0.680 12 A CB 1.721 20.772 19.000 0.086 0.000 1.279 12 A HN 0.068 nan 8.150 nan 0.000 0.411 13 A N 0.697 123.667 122.820 0.250 0.000 2.422 13 A HA 0.765 5.085 4.320 -0.000 0.000 0.302 13 A C -0.943 176.787 177.584 0.243 0.000 1.041 13 A CA -0.401 51.776 52.037 0.233 0.000 0.708 13 A CB 1.145 20.241 19.000 0.159 0.000 1.257 13 A HN 0.738 nan 8.150 nan 0.000 0.414 14 E N 1.294 121.620 120.200 0.210 0.000 2.199 14 E HA 0.567 4.916 4.350 -0.000 0.000 0.269 14 E C -1.227 175.449 176.600 0.126 0.000 0.899 14 E CA -0.476 56.028 56.400 0.174 0.000 0.772 14 E CB 2.416 32.216 29.700 0.166 0.000 1.155 14 E HN 0.581 nan 8.360 nan 0.000 0.408 15 I N 2.703 123.349 120.570 0.126 0.000 2.339 15 I HA 0.292 4.462 4.170 -0.000 0.000 0.290 15 I C -0.841 175.308 176.117 0.053 0.000 0.994 15 I CA -0.896 60.451 61.300 0.078 0.000 1.191 15 I CB 1.409 39.456 38.000 0.078 0.000 1.343 15 I HN 0.168 nan 8.210 nan 0.000 0.458 16 V N 7.217 127.148 119.914 0.029 0.000 2.483 16 V HA 0.387 4.507 4.120 -0.000 0.000 0.297 16 V C -0.212 175.878 176.094 -0.007 0.000 1.027 16 V CA -0.706 61.599 62.300 0.008 0.000 0.855 16 V CB 2.096 33.920 31.823 0.002 0.000 0.995 16 V HN 0.373 nan 8.190 nan 0.000 0.424 17 V N 4.035 123.940 119.914 -0.014 0.000 2.384 17 V HA 0.819 4.939 4.120 -0.000 0.000 0.287 17 V C 0.444 176.515 176.094 -0.038 0.000 1.020 17 V CA -0.401 61.886 62.300 -0.021 0.000 0.850 17 V CB 1.519 33.334 31.823 -0.013 0.000 0.987 17 V HN 0.990 nan 8.190 nan 0.000 0.436 18 A N 4.730 127.520 122.820 -0.050 0.000 2.325 18 A HA 0.883 5.203 4.320 -0.000 0.000 0.333 18 A C -0.179 177.380 177.584 -0.042 0.000 1.155 18 A CA -0.825 51.167 52.037 -0.074 0.000 0.814 18 A CB 1.082 20.010 19.000 -0.120 0.000 1.206 18 A HN 0.777 nan 8.150 nan 0.000 0.482 19 R N 1.401 121.883 120.500 -0.029 0.000 2.287 19 R HA 0.489 4.829 4.340 -0.000 0.000 0.316 19 R C -1.579 174.799 176.300 0.130 0.000 1.050 19 R CA -0.301 55.830 56.100 0.050 0.000 0.983 19 R CB 0.440 30.742 30.300 0.002 0.000 1.140 19 R HN 0.585 nan 8.270 nan 0.000 0.528 20 L N 6.539 127.836 121.223 0.123 0.000 2.265 20 L HA 0.573 4.913 4.340 -0.000 0.000 0.289 20 L C -2.328 174.658 176.870 0.194 0.000 1.033 20 L CA -2.339 52.535 54.840 0.056 0.000 0.814 20 L CB 1.314 43.224 42.059 -0.249 0.000 1.203 20 L HN 0.499 nan 8.230 nan 0.000 0.423 21 P HA 0.084 nan 4.420 nan 0.000 0.263 21 P C -0.666 176.747 177.300 0.189 0.000 1.195 21 P CA 0.123 63.150 63.100 -0.123 0.000 0.762 21 P CB 0.363 32.044 31.700 -0.032 0.000 0.799 22 L N 3.082 124.347 121.223 0.071 0.000 2.397 22 L HA 0.199 4.539 4.340 -0.000 0.000 0.271 22 L C 1.429 178.320 176.870 0.035 0.000 1.148 22 L CA -0.401 54.492 54.840 0.088 0.000 0.825 22 L CB 0.167 42.214 42.059 -0.020 0.000 1.117 22 L HN 0.385 nan 8.230 nan 0.000 0.456 35 H N 0.561 119.690 119.070 0.098 0.000 2.946 35 H HA 0.645 5.201 4.556 -0.000 0.000 0.365 35 H C -1.168 174.253 175.328 0.156 0.000 1.197 35 H CA -0.868 55.264 56.048 0.141 0.000 1.131 35 H CB 2.418 32.240 29.762 0.100 0.000 1.849 35 H HN 0.175 nan 8.280 nan 0.000 0.555 36 K N 1.347 121.953 120.400 0.342 0.000 2.345 36 K HA 0.376 4.696 4.320 -0.000 0.000 0.255 36 K C -1.276 175.444 176.600 0.200 0.000 0.934 36 K CA -0.607 55.849 56.287 0.281 0.000 0.801 36 K CB 1.588 34.339 32.500 0.419 0.000 1.137 36 K HN 0.247 nan 8.250 nan 0.000 0.424 37 V N 4.189 124.181 119.914 0.128 0.000 2.508 37 V HA 0.194 4.314 4.120 -0.000 0.000 0.281 37 V C -0.406 175.717 176.094 0.049 0.000 1.041 37 V CA -0.614 61.727 62.300 0.069 0.000 1.016 37 V CB 1.177 33.026 31.823 0.044 0.000 0.984 37 V HN 0.539 nan 8.190 nan 0.000 0.478 38 V N 7.705 127.624 119.914 0.009 0.000 2.305 38 V HA 0.331 4.450 4.120 -0.000 0.000 0.275 38 V C -2.416 173.665 176.094 -0.021 0.000 1.020 38 V CA -1.675 60.616 62.300 -0.016 0.000 0.811 38 V CB 1.569 33.347 31.823 -0.075 0.000 1.031 38 V HN 0.769 nan 8.190 nan 0.000 0.439 39 P HA 0.435 nan 4.420 nan 0.000 0.287 39 P C -0.815 176.478 177.300 -0.011 0.000 1.294 39 P CA -0.125 62.970 63.100 -0.009 0.000 0.776 39 P CB 0.975 32.673 31.700 -0.004 0.000 0.889 40 L N 3.723 124.941 121.223 -0.009 0.000 2.334 40 L HA 0.567 4.906 4.340 -0.000 0.000 0.276 40 L C -0.098 176.777 176.870 0.008 0.000 1.014 40 L CA -1.155 53.683 54.840 -0.004 0.000 0.815 40 L CB 1.791 43.846 42.059 -0.007 0.000 1.268 40 L HN 0.213 nan 8.230 nan 0.000 0.428 41 L N 4.174 125.402 121.223 0.009 0.000 2.333 41 L HA 0.611 4.951 4.340 -0.000 0.000 0.280 41 L C -0.835 176.040 176.870 0.008 0.000 1.004 41 L CA 0.015 54.866 54.840 0.018 0.000 0.820 41 L CB 1.439 43.508 42.059 0.017 0.000 1.247 41 L HN 0.378 nan 8.230 nan 0.000 0.416 42 I N 6.201 126.773 120.570 0.004 0.000 2.389 42 I HA 0.373 4.543 4.170 -0.000 0.000 0.288 42 I C -0.804 175.253 176.117 -0.100 0.000 0.999 42 I CA -0.504 60.754 61.300 -0.071 0.000 1.129 42 I CB 1.503 39.454 38.000 -0.081 0.000 1.288 42 I HN 0.433 nan 8.210 nan 0.000 0.444 43 L N 5.946 127.086 121.223 -0.139 0.000 2.317 43 L HA 0.509 4.849 4.340 -0.000 0.000 0.281 43 L C -0.378 176.372 176.870 -0.199 0.000 1.024 43 L CA -0.667 54.130 54.840 -0.072 0.000 0.810 43 L CB 1.064 43.127 42.059 0.006 0.000 1.240 43 L HN 0.518 nan 8.230 nan 0.000 0.427 44 H N 2.004 121.120 119.070 0.077 0.000 2.466 44 H HA 0.715 5.271 4.556 -0.000 0.000 0.338 44 H C -0.157 175.230 175.328 0.097 0.000 1.091 44 H CA -0.529 55.562 56.048 0.072 0.000 1.207 44 H CB 2.317 32.116 29.762 0.062 0.000 1.466 44 H HN 0.781 nan 8.280 nan 0.000 0.493 45 G N 1.192 110.112 108.800 0.200 0.000 2.556 45 G HA2 0.192 4.151 3.960 -0.000 0.000 0.294 45 G HA3 0.192 4.151 3.960 -0.000 0.000 0.294 45 G C -0.788 174.200 174.900 0.147 0.000 1.516 45 G CA -0.848 44.366 45.100 0.190 0.000 0.824 45 G HN 0.458 nan 8.290 nan 0.000 0.535 46 E N -0.713 119.570 120.200 0.139 0.000 2.586 46 E HA -0.266 4.084 4.350 -0.000 0.000 0.259 46 E C 1.467 178.112 176.600 0.075 0.000 1.107 46 E CA 1.998 58.464 56.400 0.109 0.000 0.754 46 E CB -1.596 28.184 29.700 0.134 0.000 1.335 46 E HN 2.589 nan 8.360 nan 0.000 0.411 47 G N -1.778 107.068 108.800 0.078 0.000 2.162 47 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.260 47 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.260 47 G C 0.499 175.432 174.900 0.056 0.000 0.976 47 G CA 1.212 46.350 45.100 0.062 0.000 0.655 47 G HN 1.054 nan 8.290 nan 0.000 0.533 48 V N -3.164 116.783 119.914 0.055 0.000 3.164 48 V HA 0.982 5.102 4.120 -0.000 0.000 0.313 48 V C -0.378 175.728 176.094 0.019 0.000 1.188 48 V CA -0.278 62.037 62.300 0.024 0.000 1.058 48 V CB 1.817 33.628 31.823 -0.020 0.000 1.110 48 V HN 1.068 nan 8.190 nan 0.000 0.453 49 Q N 0.416 120.193 119.800 -0.038 0.000 2.389 49 Q HA 0.802 5.142 4.340 -0.000 0.000 0.277 49 Q C -0.604 175.333 176.000 -0.106 0.000 1.082 49 Q CA -0.622 55.104 55.803 -0.128 0.000 0.810 49 Q CB 2.294 30.901 28.738 -0.219 0.000 1.374 49 Q HN 1.280 nan 8.270 nan 0.000 0.422 50 G N 0.836 109.569 108.800 -0.112 0.000 2.452 50 G HA2 0.601 4.561 3.960 -0.000 0.000 0.324 50 G HA3 0.601 4.561 3.960 -0.000 0.000 0.324 50 G C -1.147 173.737 174.900 -0.027 0.000 1.214 50 G CA -0.687 44.385 45.100 -0.047 0.000 0.947 50 G HN 0.423 nan 8.290 nan 0.000 0.478 51 V N 0.566 120.507 119.914 0.045 0.000 2.656 51 V HA 0.868 4.988 4.120 -0.000 0.000 0.307 51 V C 0.179 176.382 176.094 0.181 0.000 1.051 51 V CA -0.631 61.709 62.300 0.066 0.000 0.893 51 V CB 1.261 33.109 31.823 0.043 0.000 0.999 51 V HN 1.234 nan 8.190 nan 0.000 0.426 52 A N 3.119 125.985 122.820 0.077 0.000 2.527 52 A HA 0.898 5.217 4.320 -0.000 0.000 0.293 52 A C -0.992 176.570 177.584 -0.038 0.000 1.117 52 A CA -0.654 51.366 52.037 -0.028 0.000 0.723 52 A CB 2.001 20.925 19.000 -0.127 0.000 1.313 52 A HN 0.852 nan 8.150 nan 0.000 0.411 53 E N 0.782 120.933 120.200 -0.081 0.000 2.199 53 E HA 0.526 4.876 4.350 -0.000 0.000 0.265 53 E C 0.160 176.727 176.600 -0.055 0.000 0.882 53 E CA -0.630 55.743 56.400 -0.045 0.000 0.759 53 E CB 1.491 31.177 29.700 -0.023 0.000 1.148 53 E HN 0.960 nan 8.360 nan 0.000 0.412 54 G N 1.724 110.505 108.800 -0.030 0.000 2.442 54 G HA2 0.145 4.105 3.960 -0.000 0.000 0.249 54 G HA3 0.145 4.105 3.960 -0.000 0.000 0.249 54 G C 0.658 175.548 174.900 -0.018 0.000 1.263 54 G CA 0.068 45.156 45.100 -0.022 0.000 0.846 54 G HN 0.612 nan 8.290 nan 0.000 0.555 55 T N 0.324 114.867 114.554 -0.019 0.000 3.092 55 T HA 0.219 4.569 4.350 -0.000 0.000 0.258 55 T C 1.072 175.772 174.700 -0.000 0.000 1.031 55 T CA -0.441 61.646 62.100 -0.022 0.000 0.925 55 T CB -0.101 68.736 68.868 -0.051 0.000 1.036 55 T HN 0.515 nan 8.240 nan 0.000 0.544 56 M N 1.187 120.795 119.600 0.013 0.000 2.241 56 M HA 0.577 5.057 4.480 -0.000 0.000 0.335 56 M C -0.610 175.702 176.300 0.020 0.000 1.122 56 M CA -0.190 55.125 55.300 0.024 0.000 1.164 56 M CB 0.315 32.925 32.600 0.017 0.000 1.459 56 M HN 0.076 nan 8.290 nan 0.000 0.461 57 E N 1.125 121.339 120.200 0.023 0.000 2.259 57 E HA 0.661 5.011 4.350 -0.000 0.000 0.257 57 E C 0.839 177.446 176.600 0.012 0.000 0.998 57 E CA -0.538 55.876 56.400 0.023 0.000 0.866 57 E CB 1.144 30.861 29.700 0.029 0.000 1.220 57 E HN 0.763 nan 8.360 nan 0.000 0.415 58 A N 0.994 123.823 122.820 0.014 0.000 1.933 58 A HA -0.093 4.226 4.320 -0.000 0.000 0.218 58 A C 0.792 178.375 177.584 -0.001 0.000 1.175 58 A CA 1.303 53.343 52.037 0.006 0.000 0.628 58 A CB -0.126 18.879 19.000 0.009 0.000 0.814 58 A HN 0.402 nan 8.150 nan 0.000 0.444 59 R N -0.879 119.621 120.500 -0.001 0.000 2.803 59 R HA 0.405 4.745 4.340 -0.000 0.000 0.276 59 R C -2.938 173.349 176.300 -0.021 0.000 0.978 59 R CA -2.199 53.894 56.100 -0.010 0.000 0.939 59 R CB 1.426 31.722 30.300 -0.007 0.000 1.179 59 R HN 0.011 nan 8.270 nan 0.000 0.472 60 P HA 0.107 nan 4.420 nan 0.000 0.247 60 P C -0.196 177.035 177.300 -0.116 0.000 1.756 60 P CA -0.002 63.048 63.100 -0.082 0.000 1.117 60 P CB 0.630 32.273 31.700 -0.094 0.000 1.869 61 M N 1.180 120.733 119.600 -0.078 0.000 2.738 61 M HA 0.033 4.513 4.480 -0.000 0.000 0.256 61 M C 1.985 178.227 176.300 -0.097 0.000 1.253 61 M CA 1.132 56.391 55.300 -0.068 0.000 1.223 61 M CB -1.330 31.269 32.600 -0.003 0.000 1.263 61 M HN 0.156 nan 8.290 nan 0.000 0.521 62 Y N 0.898 121.107 120.300 -0.152 0.000 2.243 62 Y HA 0.072 4.622 4.550 -0.000 0.000 0.293 62 Y C 1.630 177.351 175.900 -0.299 0.000 1.124 62 Y CA 1.328 59.331 58.100 -0.162 0.000 1.159 62 Y CB 0.504 38.911 38.460 -0.087 0.000 1.008 62 Y HN 0.078 nan 8.280 nan 0.000 0.527 63 R N -0.948 119.276 120.500 -0.461 0.000 3.317 63 R HA 0.081 4.421 4.340 -0.000 0.000 0.259 63 R C 0.886 176.938 176.300 -0.414 0.000 1.143 63 R CA 0.155 55.846 56.100 -0.683 0.000 0.969 63 R CB 0.539 30.519 30.300 -0.534 0.000 1.465 63 R HN 0.126 nan 8.270 nan 0.000 0.430 64 E N 0.869 120.884 120.200 -0.308 0.000 2.400 64 E HA 0.044 4.394 4.350 -0.000 0.000 0.195 64 E C -0.629 175.930 176.600 -0.068 0.000 1.012 64 E CA 0.741 57.042 56.400 -0.165 0.000 0.875 64 E CB 0.342 30.009 29.700 -0.055 0.000 0.859 64 E HN 0.440 nan 8.360 nan 0.000 0.498 65 E N 1.287 121.462 120.200 -0.041 0.000 2.349 65 E HA 0.276 4.626 4.350 -0.000 0.000 0.265 65 E C -0.190 176.401 176.600 -0.015 0.000 1.064 65 E CA 0.031 56.423 56.400 -0.013 0.000 0.886 65 E CB 1.160 30.866 29.700 0.010 0.000 1.036 65 E HN 0.268 nan 8.360 nan 0.000 0.413 66 T N -1.912 112.634 114.554 -0.014 0.000 2.906 66 T HA 0.386 4.736 4.350 -0.000 0.000 0.295 66 T C 1.023 175.716 174.700 -0.013 0.000 1.075 66 T CA -0.778 61.314 62.100 -0.013 0.000 1.005 66 T CB 0.729 69.587 68.868 -0.017 0.000 1.136 66 T HN 0.387 nan 8.240 nan 0.000 0.498 67 I N 1.064 121.629 120.570 -0.009 0.000 2.208 67 I HA -0.121 4.049 4.170 -0.000 0.000 0.245 67 I C 2.995 179.100 176.117 -0.020 0.000 1.097 67 I CA 1.759 63.052 61.300 -0.011 0.000 1.363 67 I CB -0.666 37.331 38.000 -0.004 0.000 1.051 67 I HN 0.896 nan 8.210 nan 0.000 0.413 68 A N 0.866 123.673 122.820 -0.021 0.000 1.902 68 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 68 A C 2.438 179.997 177.584 -0.042 0.000 1.181 68 A CA 1.923 53.943 52.037 -0.027 0.000 0.623 68 A CB -1.404 17.583 19.000 -0.023 0.000 0.818 68 A HN 0.462 nan 8.150 nan 0.000 0.443 69 G N -0.607 108.168 108.800 -0.042 0.000 2.404 69 G HA2 0.033 3.993 3.960 -0.000 0.000 0.215 69 G HA3 0.033 3.993 3.960 -0.000 0.000 0.215 69 G C 1.764 176.613 174.900 -0.085 0.000 1.174 69 G CA 1.448 46.512 45.100 -0.060 0.000 0.780 69 G HN 0.780 nan 8.290 nan 0.000 0.537 70 A N 0.610 123.392 122.820 -0.064 0.000 1.877 70 A HA 0.107 4.427 4.320 -0.000 0.000 0.216 70 A C 2.430 179.958 177.584 -0.093 0.000 1.186 70 A CA 1.266 53.261 52.037 -0.070 0.000 0.620 70 A CB -0.429 18.556 19.000 -0.025 0.000 0.822 70 A HN 0.339 nan 8.150 nan 0.000 0.443 71 L N -0.707 120.476 121.223 -0.067 0.000 2.141 71 L HA -0.161 4.179 4.340 -0.000 0.000 0.209 71 L C 2.328 179.139 176.870 -0.099 0.000 1.094 71 L CA 1.730 56.531 54.840 -0.065 0.000 0.763 71 L CB -0.635 41.405 42.059 -0.033 0.000 0.908 71 L HN 0.529 nan 8.230 nan 0.000 0.437 72 D N 0.365 120.702 120.400 -0.106 0.000 2.144 72 D HA -0.223 4.417 4.640 -0.000 0.000 0.200 72 D C 2.130 178.305 176.300 -0.208 0.000 0.978 72 D CA 0.777 54.702 54.000 -0.124 0.000 0.833 72 D CB 0.142 40.882 40.800 -0.101 0.000 0.961 72 D HN 0.077 nan 8.370 nan 0.000 0.470 73 L N 0.246 121.299 121.223 -0.282 0.000 2.046 73 L HA -0.045 4.294 4.340 -0.000 0.000 0.208 73 L C 2.078 178.602 176.870 -0.578 0.000 1.077 73 L CA 1.425 55.956 54.840 -0.515 0.000 0.747 73 L CB -0.532 41.158 42.059 -0.615 0.000 0.896 73 L HN 0.222 nan 8.230 nan 0.000 0.432 74 L N -0.386 120.632 121.223 -0.342 0.000 1.976 74 L HA -0.233 4.107 4.340 -0.000 0.000 0.209 74 L C 2.834 179.577 176.870 -0.212 0.000 1.071 74 L CA 2.050 56.778 54.840 -0.187 0.000 0.746 74 L CB -0.685 41.322 42.059 -0.086 0.000 0.890 74 L HN 0.396 nan 8.230 nan 0.000 0.432 75 R N -0.001 120.358 120.500 -0.234 0.000 2.115 75 R HA -0.032 4.308 4.340 -0.000 0.000 0.226 75 R C 1.993 178.181 176.300 -0.185 0.000 1.100 75 R CA 1.308 57.225 56.100 -0.305 0.000 0.980 75 R CB -0.669 29.505 30.300 -0.210 0.000 0.875 75 R HN 0.272 nan 8.270 nan 0.000 0.445 76 G N -0.691 108.008 108.800 -0.169 0.000 2.744 76 G HA2 0.019 3.978 3.960 -0.000 0.000 0.211 76 G HA3 0.019 3.978 3.960 -0.000 0.000 0.211 76 G C 0.727 175.539 174.900 -0.147 0.000 1.146 76 G CA 0.660 45.681 45.100 -0.131 0.000 0.787 76 G HN 0.355 nan 8.290 nan 0.000 0.534 77 T N -0.502 113.922 114.554 -0.217 0.000 3.388 77 T HA 0.185 4.535 4.350 -0.000 0.000 0.254 77 T C 1.643 176.355 174.700 0.019 0.000 1.002 77 T CA -0.208 61.768 62.100 -0.206 0.000 1.164 77 T CB -0.051 68.490 68.868 -0.544 0.000 1.184 77 T HN -0.024 nan 8.240 nan 0.000 0.399 78 F N 2.082 121.954 119.950 -0.130 0.000 2.128 78 F HA 0.272 4.799 4.527 -0.000 0.000 0.295 78 F C 2.170 177.939 175.800 -0.051 0.000 1.100 78 F CA 0.258 58.212 58.000 -0.076 0.000 1.260 78 F CB -1.211 37.741 39.000 -0.080 0.000 1.009 78 F HN 0.071 nan 8.300 nan 0.000 0.476 79 L N -0.309 120.976 121.223 0.103 0.000 2.056 79 L HA -0.133 4.207 4.340 -0.000 0.000 0.207 79 L C -0.319 176.586 176.870 0.058 0.000 1.078 79 L CA 1.230 56.092 54.840 0.037 0.000 0.749 79 L CB -2.063 39.941 42.059 -0.091 0.000 0.901 79 L HN 0.040 nan 8.230 nan 0.000 0.433 80 P HA -0.179 nan 4.420 nan 0.000 0.218 80 P C 1.367 178.724 177.300 0.093 0.000 1.148 80 P CA 1.659 64.799 63.100 0.066 0.000 0.822 80 P CB 0.000 31.728 31.700 0.046 0.000 0.784 81 A N -0.500 122.392 122.820 0.120 0.000 2.015 81 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 81 A C 2.003 179.689 177.584 0.170 0.000 1.163 81 A CA 1.440 53.562 52.037 0.142 0.000 0.646 81 A CB -1.249 17.854 19.000 0.171 0.000 0.806 81 A HN 0.377 nan 8.150 nan 0.000 0.448 82 I N -4.399 116.275 120.570 0.174 0.000 4.139 82 I HA 0.344 4.513 4.170 -0.000 0.000 0.320 82 I C 0.071 176.339 176.117 0.253 0.000 1.290 82 I CA -0.287 61.180 61.300 0.279 0.000 1.253 82 I CB 0.014 38.097 38.000 0.139 0.000 1.122 82 I HN -0.063 nan 8.210 nan 0.000 0.421 83 L N 3.526 124.845 121.223 0.160 0.000 2.455 83 L HA 0.342 4.682 4.340 -0.000 0.000 0.272 83 L C 1.367 178.298 176.870 0.101 0.000 1.174 83 L CA 1.064 55.987 54.840 0.138 0.000 0.869 83 L CB 0.677 42.808 42.059 0.120 0.000 1.130 83 L HN 0.587 nan 8.230 nan 0.000 0.474 84 G N 1.560 110.414 108.800 0.089 0.000 2.179 84 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.260 84 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.260 84 G C 0.254 175.140 174.900 -0.023 0.000 0.977 84 G CA -0.359 44.764 45.100 0.038 0.000 0.641 84 G HN 0.509 nan 8.290 nan 0.000 0.533 85 Q N 0.392 120.168 119.800 -0.040 0.000 2.214 85 Q HA 0.638 4.978 4.340 -0.000 0.000 0.251 85 Q C -0.214 175.496 176.000 -0.484 0.000 0.936 85 Q CA -0.006 55.619 55.803 -0.297 0.000 0.894 85 Q CB 1.539 30.041 28.738 -0.393 0.000 1.252 85 Q HN 0.215 nan 8.270 nan 0.000 0.448 86 T N 1.916 116.042 114.554 -0.713 0.000 2.823 86 T HA 0.685 5.035 4.350 -0.000 0.000 0.279 86 T C -0.755 173.343 174.700 -1.002 0.000 0.998 86 T CA -0.269 61.453 62.100 -0.630 0.000 0.994 86 T CB 0.290 68.957 68.868 -0.335 0.000 0.960 86 T HN 0.247 nan 8.240 nan 0.000 0.448 87 F N 0.211 119.789 119.950 -0.619 0.000 2.576 87 F HA 0.593 5.120 4.527 -0.000 0.000 0.313 87 F C 1.006 176.323 175.800 -0.804 0.000 1.078 87 F CA -1.245 56.310 58.000 -0.742 0.000 0.921 87 F CB 1.602 40.024 39.000 -0.963 0.000 1.232 87 F HN 0.636 nan 8.300 nan 0.000 0.459 88 A N 2.025 124.645 122.820 -0.333 0.000 1.970 88 A HA 0.139 4.459 4.320 -0.000 0.000 0.216 88 A C 0.290 177.547 177.584 -0.545 0.000 1.170 88 A CA 1.115 52.968 52.037 -0.307 0.000 0.645 88 A CB -0.559 18.325 19.000 -0.193 0.000 0.816 88 A HN 0.863 nan 8.150 nan 0.000 0.447 89 N N -3.568 114.795 118.700 -0.562 0.000 3.227 89 N HA 0.213 4.953 4.740 -0.000 0.000 0.241 89 N C -3.039 172.109 175.510 -0.602 0.000 1.480 89 N CA -1.425 51.093 53.050 -0.886 0.000 0.886 89 N CB 0.751 38.743 38.487 -0.824 0.000 1.406 89 N HN -0.309 nan 8.380 nan 0.000 0.514 90 P HA -0.056 nan 4.420 nan 0.000 0.220 90 P C 0.586 177.610 177.300 -0.460 0.000 1.148 90 P CA 1.317 63.969 63.100 -0.746 0.000 0.803 90 P CB 0.170 30.922 31.700 -1.580 0.000 0.782 91 E N -0.159 119.824 120.200 -0.362 0.000 2.110 91 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 91 E C 2.120 178.621 176.600 -0.165 0.000 0.988 91 E CA 1.529 57.829 56.400 -0.165 0.000 0.804 91 E CB -1.028 28.621 29.700 -0.086 0.000 0.745 91 E HN 0.158 nan 8.360 nan 0.000 0.458 92 A N 0.388 123.090 122.820 -0.196 0.000 1.969 92 A HA -0.118 4.201 4.320 -0.000 0.000 0.218 92 A C 2.414 179.900 177.584 -0.162 0.000 1.169 92 A CA 1.101 53.080 52.037 -0.097 0.000 0.635 92 A CB -0.527 18.462 19.000 -0.019 0.000 0.810 92 A HN 0.145 nan 8.150 nan 0.000 0.445 93 V N -0.183 119.444 119.914 -0.478 0.000 2.295 93 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 93 V C 2.774 178.629 176.094 -0.398 0.000 1.049 93 V CA 2.338 64.162 62.300 -0.793 0.000 1.024 93 V CB -0.954 30.403 31.823 -0.776 0.000 0.648 93 V HN 0.548 nan 8.190 nan 0.000 0.447 94 S N -0.068 115.467 115.700 -0.275 0.000 2.370 94 S HA -0.295 4.175 4.470 -0.000 0.000 0.226 94 S C 1.835 176.350 174.600 -0.140 0.000 1.033 94 S CA 2.001 60.086 58.200 -0.190 0.000 1.011 94 S CB -0.502 62.631 63.200 -0.112 0.000 0.852 94 S HN 0.808 nan 8.310 nan 0.000 0.457 95 D N 1.244 121.584 120.400 -0.100 0.000 2.178 95 D HA -0.024 4.616 4.640 -0.000 0.000 0.201 95 D C 1.750 178.036 176.300 -0.023 0.000 0.980 95 D CA 1.098 55.069 54.000 -0.049 0.000 0.842 95 D CB -0.227 40.555 40.800 -0.030 0.000 0.948 95 D HN 0.354 nan 8.370 nan 0.000 0.472 96 A N -0.246 122.567 122.820 -0.012 0.000 2.167 96 A HA 0.070 4.390 4.320 -0.000 0.000 0.214 96 A C 2.122 179.727 177.584 0.036 0.000 1.151 96 A CA 0.326 52.399 52.037 0.060 0.000 0.735 96 A CB -0.515 18.610 19.000 0.207 0.000 0.802 96 A HN 0.375 nan 8.150 nan 0.000 0.467 97 L N -1.252 119.939 121.223 -0.053 0.000 2.395 97 L HA 0.187 4.526 4.340 -0.000 0.000 0.218 97 L C 1.479 178.451 176.870 0.170 0.000 1.130 97 L CA 0.516 55.321 54.840 -0.059 0.000 0.826 97 L CB -0.943 40.833 42.059 -0.472 0.000 0.941 97 L HN 0.611 nan 8.230 nan 0.000 0.451 98 G N 0.116 108.966 108.800 0.083 0.000 2.627 98 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.214 98 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.214 98 G C 0.239 175.128 174.900 -0.017 0.000 1.331 98 G CA -0.129 44.993 45.100 0.036 0.000 0.891 98 G HN 0.247 nan 8.290 nan 0.000 0.539 99 S N -0.855 114.730 115.700 -0.191 0.000 2.573 99 S HA 0.465 4.935 4.470 -0.000 0.000 0.244 99 S C 0.456 174.969 174.600 -0.144 0.000 0.984 99 S CA -0.172 57.947 58.200 -0.136 0.000 1.001 99 S CB -0.178 62.943 63.200 -0.133 0.000 0.788 99 S HN 0.715 nan 8.310 nan 0.000 0.456 100 Y N 2.537 122.896 120.300 0.099 0.000 2.702 100 Y HA 0.167 4.717 4.550 0.000 0.000 0.336 100 Y C 1.336 177.296 175.900 0.100 0.000 1.235 100 Y CA -0.221 57.948 58.100 0.115 0.000 1.492 100 Y CB 0.460 39.039 38.460 0.199 0.000 1.308 100 Y HN 0.136 nan 8.280 nan 0.000 0.589 101 R N 1.679 122.311 120.500 0.219 0.000 2.404 101 R HA 0.456 4.796 4.340 -0.000 0.000 0.291 101 R C 0.755 177.139 176.300 0.140 0.000 1.025 101 R CA 0.132 56.315 56.100 0.137 0.000 0.991 101 R CB 1.089 31.444 30.300 0.091 0.000 1.053 101 R HN 0.977 nan 8.270 nan 0.000 0.479 102 G N 2.281 111.149 108.800 0.113 0.000 2.564 102 G HA2 -0.422 3.538 3.960 -0.000 0.000 0.273 102 G HA3 -0.422 3.538 3.960 -0.000 0.000 0.273 102 G C -0.321 174.654 174.900 0.126 0.000 1.242 102 G CA 0.267 45.429 45.100 0.104 0.000 0.951 102 G HN 0.875 nan 8.290 nan 0.000 0.564 103 N N -0.689 118.075 118.700 0.106 0.000 2.727 103 N HA -0.190 4.550 4.740 -0.000 0.000 0.249 103 N C 1.356 176.947 175.510 0.136 0.000 1.048 103 N CA 1.233 54.350 53.050 0.112 0.000 0.714 103 N CB -0.353 38.204 38.487 0.116 0.000 0.959 103 N HN 0.677 nan 8.380 nan 0.000 0.544 104 R N -0.054 120.506 120.500 0.100 0.000 2.092 104 R HA -0.010 4.329 4.340 -0.000 0.000 0.231 104 R C 1.710 178.051 176.300 0.067 0.000 1.119 104 R CA 1.479 57.627 56.100 0.080 0.000 0.970 104 R CB -0.149 30.188 30.300 0.062 0.000 0.864 104 R HN 0.512 nan 8.270 nan 0.000 0.440 105 M N -0.075 119.564 119.600 0.064 0.000 2.200 105 M HA -0.051 4.428 4.480 -0.000 0.000 0.265 105 M C 2.498 178.833 176.300 0.057 0.000 1.066 105 M CA 1.450 56.776 55.300 0.044 0.000 1.127 105 M CB -0.270 32.354 32.600 0.040 0.000 1.379 105 M HN 0.164 nan 8.290 nan 0.000 0.420 106 A N 0.800 123.678 122.820 0.097 0.000 1.877 106 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 106 A C 2.159 179.885 177.584 0.238 0.000 1.186 106 A CA 1.510 53.637 52.037 0.149 0.000 0.620 106 A CB -0.604 18.480 19.000 0.140 0.000 0.822 106 A HN 0.406 nan 8.150 nan 0.000 0.443 107 R N -0.513 120.130 120.500 0.238 0.000 2.091 107 R HA -0.136 4.203 4.340 -0.000 0.000 0.238 107 R C 2.421 178.711 176.300 -0.016 0.000 1.136 107 R CA 1.288 57.403 56.100 0.024 0.000 0.959 107 R CB -0.498 29.781 30.300 -0.035 0.000 0.856 107 R HN 0.522 nan 8.270 nan 0.000 0.437 108 A N 0.884 123.711 122.820 0.012 0.000 1.972 108 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 108 A C 2.141 179.711 177.584 -0.022 0.000 1.169 108 A CA 1.261 53.289 52.037 -0.015 0.000 0.635 108 A CB -0.395 18.582 19.000 -0.039 0.000 0.810 108 A HN 0.206 nan 8.150 nan 0.000 0.446 109 M N -0.789 118.809 119.600 -0.004 0.000 2.080 109 M HA -0.162 4.317 4.480 -0.000 0.000 0.260 109 M C 2.112 178.413 176.300 0.001 0.000 1.068 109 M CA 1.659 56.953 55.300 -0.009 0.000 1.109 109 M CB -0.512 32.098 32.600 0.017 0.000 1.342 109 M HN 0.275 nan 8.290 nan 0.000 0.405 110 V N -0.037 119.881 119.914 0.006 0.000 2.270 110 V HA -0.229 3.891 4.120 -0.000 0.000 0.245 110 V C 2.427 178.503 176.094 -0.030 0.000 1.043 110 V CA 1.865 64.151 62.300 -0.024 0.000 1.014 110 V CB -0.806 30.969 31.823 -0.079 0.000 0.645 110 V HN 0.486 nan 8.190 nan 0.000 0.447 111 E N 0.035 120.221 120.200 -0.023 0.000 2.077 111 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 111 E C 2.187 178.918 176.600 0.219 0.000 0.989 111 E CA 1.754 58.179 56.400 0.043 0.000 0.800 111 E CB -0.130 29.611 29.700 0.067 0.000 0.746 111 E HN 0.574 nan 8.360 nan 0.000 0.452 112 M N -0.206 119.512 119.600 0.197 0.000 2.200 112 M HA -0.062 4.418 4.480 -0.000 0.000 0.265 112 M C 2.410 178.895 176.300 0.310 0.000 1.066 112 M CA 1.281 56.771 55.300 0.317 0.000 1.127 112 M CB -0.141 32.434 32.600 -0.041 0.000 1.379 112 M HN 0.084 nan 8.290 nan 0.000 0.420 113 A N 0.559 123.463 122.820 0.140 0.000 1.933 113 A HA -0.027 4.293 4.320 -0.000 0.000 0.218 113 A C 2.375 180.011 177.584 0.087 0.000 1.175 113 A CA 1.817 53.925 52.037 0.118 0.000 0.628 113 A CB -0.842 18.185 19.000 0.044 0.000 0.814 113 A HN 0.476 nan 8.150 nan 0.000 0.444 114 A N -1.418 121.428 122.820 0.045 0.000 1.902 114 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 114 A C 1.965 179.500 177.584 -0.081 0.000 1.181 114 A CA 1.307 53.310 52.037 -0.058 0.000 0.623 114 A CB -0.873 18.049 19.000 -0.130 0.000 0.818 114 A HN 0.736 nan 8.150 nan 0.000 0.443 115 W N -0.012 121.323 121.300 0.059 0.000 2.335 115 W HA -0.166 4.494 4.660 -0.000 0.000 0.311 115 W C 2.072 178.597 176.519 0.011 0.000 1.213 115 W CA 1.468 58.860 57.345 0.078 0.000 1.274 115 W CB -0.204 29.290 29.460 0.056 0.000 1.148 115 W HN 0.464 nan 8.180 nan 0.000 0.498 116 D N -0.096 120.445 120.400 0.235 0.000 2.097 116 D HA -0.191 4.449 4.640 -0.000 0.000 0.195 116 D C 2.025 178.305 176.300 -0.033 0.000 0.989 116 D CA 1.301 55.331 54.000 0.050 0.000 0.827 116 D CB -0.430 40.410 40.800 0.066 0.000 0.966 116 D HN -0.002 nan 8.370 nan 0.000 0.456 117 L N 0.506 121.695 121.223 -0.056 0.000 1.994 117 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 117 L C 2.224 178.956 176.870 -0.230 0.000 1.071 117 L CA 1.870 56.620 54.840 -0.149 0.000 0.745 117 L CB -0.984 40.970 42.059 -0.175 0.000 0.892 117 L HN 0.391 nan 8.230 nan 0.000 0.431 118 W N 0.367 121.324 121.300 -0.572 0.000 2.335 118 W HA -0.301 4.359 4.660 0.000 0.000 0.311 118 W C 2.127 178.485 176.519 -0.268 0.000 1.213 118 W CA 1.796 58.768 57.345 -0.622 0.000 1.274 118 W CB -0.273 28.803 29.460 -0.640 0.000 1.148 118 W HN 0.360 nan 8.180 nan 0.000 0.498 119 A N 1.295 123.967 122.820 -0.248 0.000 1.940 119 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 119 A C 1.998 179.404 177.584 -0.298 0.000 1.176 119 A CA 1.981 53.824 52.037 -0.325 0.000 0.631 119 A CB -0.921 17.996 19.000 -0.138 0.000 0.814 119 A HN 0.446 nan 8.150 nan 0.000 0.446 120 R N -0.679 119.692 120.500 -0.215 0.000 2.148 120 R HA -0.067 4.273 4.340 -0.000 0.000 0.223 120 R C 2.375 178.573 176.300 -0.171 0.000 1.088 120 R CA 1.566 57.566 56.100 -0.168 0.000 0.985 120 R CB -0.546 29.682 30.300 -0.120 0.000 0.880 120 R HN 0.772 nan 8.270 nan 0.000 0.451 121 T N -1.053 113.375 114.554 -0.211 0.000 2.915 121 T HA -0.040 4.310 4.350 -0.000 0.000 0.269 121 T C 1.725 176.293 174.700 -0.220 0.000 1.071 121 T CA 0.900 62.900 62.100 -0.167 0.000 1.132 121 T CB -0.068 68.740 68.868 -0.099 0.000 0.878 121 T HN 0.153 nan 8.240 nan 0.000 0.479 122 L N 0.235 121.245 121.223 -0.355 0.000 2.529 122 L HA 0.387 4.727 4.340 -0.000 0.000 0.223 122 L C 2.048 178.791 176.870 -0.213 0.000 1.113 122 L CA 0.355 54.995 54.840 -0.333 0.000 0.861 122 L CB -0.554 41.195 42.059 -0.517 0.000 1.012 122 L HN 0.554 nan 8.230 nan 0.000 0.461 123 G N 1.092 109.780 108.800 -0.186 0.000 2.176 123 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.252 123 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.252 123 G C -0.035 174.791 174.900 -0.122 0.000 1.024 123 G CA 0.195 45.217 45.100 -0.129 0.000 0.755 123 G HN 0.141 nan 8.290 nan 0.000 0.507 124 V N 0.448 120.268 119.914 -0.156 0.000 2.581 124 V HA 0.544 4.663 4.120 -0.000 0.000 0.303 124 V C -1.810 174.213 176.094 -0.119 0.000 1.041 124 V CA -1.991 60.234 62.300 -0.124 0.000 0.907 124 V CB 2.155 33.895 31.823 -0.139 0.000 0.994 124 V HN 0.070 nan 8.190 nan 0.000 0.442 125 P HA 0.036 nan 4.420 nan 0.000 0.266 125 P C 0.591 177.807 177.300 -0.139 0.000 1.195 125 P CA -0.111 62.943 63.100 -0.075 0.000 0.768 125 P CB 0.617 32.351 31.700 0.057 0.000 0.838 126 L N 4.442 125.449 121.223 -0.359 0.000 2.017 126 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 126 L C 2.228 178.978 176.870 -0.199 0.000 1.073 126 L CA 2.657 57.287 54.840 -0.350 0.000 0.745 126 L CB -1.724 39.953 42.059 -0.635 0.000 0.894 126 L HN 0.510 nan 8.230 nan 0.000 0.432 127 G N -1.827 106.991 108.800 0.029 0.000 2.442 127 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.219 127 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.219 127 G C 1.426 176.322 174.900 -0.007 0.000 1.141 127 G CA 1.284 46.409 45.100 0.043 0.000 0.763 127 G HN 0.465 nan 8.290 nan 0.000 0.554 128 T N 1.402 115.971 114.554 0.024 0.000 2.684 128 T HA -0.091 4.259 4.350 -0.000 0.000 0.267 128 T C 2.364 177.077 174.700 0.021 0.000 1.036 128 T CA 1.082 63.197 62.100 0.026 0.000 1.148 128 T CB -0.233 68.647 68.868 0.020 0.000 0.863 128 T HN 0.184 nan 8.240 nan 0.000 0.436 129 L N 0.282 121.513 121.223 0.013 0.000 2.201 129 L HA 0.057 4.397 4.340 -0.000 0.000 0.212 129 L C 2.114 179.009 176.870 0.041 0.000 1.105 129 L CA 0.802 55.696 54.840 0.089 0.000 0.775 129 L CB -0.440 41.754 42.059 0.225 0.000 0.913 129 L HN 0.268 nan 8.230 nan 0.000 0.440 130 L N -0.817 120.338 121.223 -0.113 0.000 2.554 130 L HA 0.139 4.479 4.340 -0.000 0.000 0.226 130 L C 1.488 178.311 176.870 -0.078 0.000 1.137 130 L CA 0.669 55.397 54.840 -0.187 0.000 0.863 130 L CB -0.222 41.643 42.059 -0.323 0.000 0.985 130 L HN 0.465 nan 8.230 nan 0.000 0.451 131 G N -0.402 108.389 108.800 -0.014 0.000 2.179 131 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.220 131 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.220 131 G C 0.506 175.444 174.900 0.064 0.000 0.990 131 G CA -0.338 44.785 45.100 0.038 0.000 0.646 131 G HN 0.474 nan 8.290 nan 0.000 0.517 132 G N -0.403 108.401 108.800 0.007 0.000 2.476 132 G HA2 0.614 4.574 3.960 -0.000 0.000 0.269 132 G HA3 0.614 4.574 3.960 -0.000 0.000 0.269 132 G C 0.107 175.037 174.900 0.051 0.000 1.195 132 G CA 0.241 45.323 45.100 -0.030 0.000 0.843 132 G HN 1.377 nan 8.290 nan 0.000 0.545 133 H N -1.881 117.193 119.070 0.006 0.000 2.904 133 H HA 0.357 4.913 4.556 -0.000 0.000 0.242 133 H C 0.117 175.446 175.328 0.001 0.000 1.193 133 H CA -0.678 55.372 56.048 0.004 0.000 0.946 133 H CB -0.140 29.629 29.762 0.011 0.000 2.135 133 H HN 0.307 nan 8.280 nan 0.000 0.652 134 K N 0.965 121.298 120.400 -0.112 0.000 2.185 134 K HA 0.157 4.477 4.320 -0.000 0.000 0.271 134 K C 0.074 176.648 176.600 -0.044 0.000 1.013 134 K CA -0.223 56.025 56.287 -0.065 0.000 0.943 134 K CB 1.461 33.910 32.500 -0.085 0.000 0.998 134 K HN 0.426 nan 8.250 nan 0.000 0.468 135 E N 1.015 121.198 120.200 -0.028 0.000 2.415 135 E HA -0.064 4.286 4.350 -0.000 0.000 0.197 135 E C -0.082 176.485 176.600 -0.055 0.000 1.007 135 E CA 0.220 56.597 56.400 -0.037 0.000 0.890 135 E CB 0.490 30.181 29.700 -0.014 0.000 0.891 135 E HN 0.499 nan 8.360 nan 0.000 0.496 136 Q N 0.127 119.898 119.800 -0.049 0.000 2.462 136 Q HA 0.547 4.886 4.340 -0.000 0.000 0.285 136 Q C -0.921 175.055 176.000 -0.041 0.000 1.035 136 Q CA -1.083 54.691 55.803 -0.048 0.000 0.799 136 Q CB 2.195 30.915 28.738 -0.030 0.000 1.452 136 Q HN -0.021 nan 8.270 nan 0.000 0.404 137 V N -2.195 117.698 119.914 -0.034 0.000 2.735 137 V HA 0.573 4.693 4.120 -0.000 0.000 0.310 137 V C -0.581 175.525 176.094 0.021 0.000 1.061 137 V CA -0.870 61.422 62.300 -0.013 0.000 0.913 137 V CB 1.875 33.672 31.823 -0.044 0.000 1.005 137 V HN 0.881 nan 8.190 nan 0.000 0.428 138 E N 2.171 122.400 120.200 0.047 0.000 2.354 138 E HA 0.546 4.896 4.350 -0.000 0.000 0.269 138 E C -0.459 176.197 176.600 0.093 0.000 1.036 138 E CA -0.343 56.094 56.400 0.060 0.000 0.876 138 E CB 1.966 31.703 29.700 0.062 0.000 1.009 138 E HN 0.962 nan 8.360 nan 0.000 0.416 139 V N -0.817 119.164 119.914 0.111 0.000 2.876 139 V HA 0.896 5.015 4.120 -0.000 0.000 0.312 139 V C 0.007 176.236 176.094 0.225 0.000 1.085 139 V CA -0.678 61.723 62.300 0.169 0.000 0.945 139 V CB 1.774 33.723 31.823 0.210 0.000 1.017 139 V HN 0.710 nan 8.190 nan 0.000 0.428 140 G N 0.419 109.304 108.800 0.140 0.000 3.108 140 G HA2 0.790 4.750 3.960 -0.000 0.000 0.268 140 G HA3 0.790 4.750 3.960 -0.000 0.000 0.268 140 G C -1.298 173.489 174.900 -0.187 0.000 1.361 140 G CA -0.561 44.561 45.100 0.037 0.000 1.047 140 G HN 1.476 nan 8.290 nan 0.000 0.540 141 V N -1.113 118.588 119.914 -0.355 0.000 3.078 141 V HA 0.798 4.918 4.120 -0.000 0.000 0.311 141 V C -0.822 175.066 176.094 -0.343 0.000 1.138 141 V CA -0.664 61.340 62.300 -0.494 0.000 1.007 141 V CB 2.300 33.575 31.823 -0.913 0.000 1.045 141 V HN 0.912 nan 8.190 nan 0.000 0.432 142 S N 4.768 120.298 115.700 -0.284 0.000 2.498 142 S HA 0.752 5.222 4.470 -0.000 0.000 0.317 142 S C -1.101 173.369 174.600 -0.216 0.000 1.090 142 S CA -0.573 57.516 58.200 -0.185 0.000 1.089 142 S CB 0.629 63.790 63.200 -0.064 0.000 0.997 142 S HN 0.616 nan 8.310 nan 0.000 0.470 143 L N 3.974 125.085 121.223 -0.186 0.000 2.334 143 L HA 0.648 4.988 4.340 -0.000 0.000 0.276 143 L C 1.190 178.026 176.870 -0.058 0.000 1.014 143 L CA -1.008 53.737 54.840 -0.159 0.000 0.815 143 L CB 1.586 43.543 42.059 -0.170 0.000 1.268 143 L HN 0.751 nan 8.230 nan 0.000 0.428 144 G N 2.072 110.851 108.800 -0.036 0.000 2.588 144 G HA2 0.417 4.377 3.960 -0.000 0.000 0.278 144 G HA3 0.417 4.377 3.960 -0.000 0.000 0.278 144 G C -0.036 174.895 174.900 0.053 0.000 1.307 144 G CA -0.737 44.368 45.100 0.009 0.000 1.016 144 G HN 0.461 nan 8.290 nan 0.000 0.503 145 I N 1.022 121.635 120.570 0.073 0.000 2.556 145 I HA 0.080 4.250 4.170 -0.000 0.000 0.284 145 I C 0.188 176.330 176.117 0.042 0.000 1.114 145 I CA -0.131 61.239 61.300 0.116 0.000 1.418 145 I CB 0.907 38.956 38.000 0.081 0.000 1.394 145 I HN 0.307 nan 8.210 nan 0.000 0.552 146 Q N 4.292 124.146 119.800 0.090 0.000 2.252 146 Q HA 0.442 4.782 4.340 -0.000 0.000 0.256 146 Q C 0.770 176.702 176.000 -0.114 0.000 1.020 146 Q CA -0.596 55.221 55.803 0.024 0.000 0.913 146 Q CB 1.297 30.094 28.738 0.098 0.000 1.286 146 Q HN 0.742 nan 8.270 nan 0.000 0.480 147 A N 0.375 123.131 122.820 -0.107 0.000 1.969 147 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 147 A C 0.089 177.516 177.584 -0.263 0.000 1.169 147 A CA 2.142 54.063 52.037 -0.194 0.000 0.635 147 A CB -0.196 18.741 19.000 -0.105 0.000 0.810 147 A HN 0.790 nan 8.150 nan 0.000 0.445 148 D N -4.401 115.961 120.400 -0.063 0.000 2.779 148 D HA 0.185 4.824 4.640 -0.000 0.000 0.331 148 D C 0.199 176.732 176.300 0.389 0.000 1.331 148 D CA -0.310 53.757 54.000 0.111 0.000 0.866 148 D CB -0.247 40.590 40.800 0.062 0.000 1.409 148 D HN -0.038 nan 8.370 nan 0.000 0.486 149 E N -0.990 119.454 120.200 0.407 0.000 2.051 149 E HA -0.248 4.102 4.350 -0.000 0.000 0.192 149 E C 1.445 178.130 176.600 0.142 0.000 0.991 149 E CA 1.428 57.969 56.400 0.235 0.000 0.799 149 E CB 0.004 29.777 29.700 0.121 0.000 0.748 149 E HN 0.395 nan 8.360 nan 0.000 0.449 150 Q N 0.682 120.548 119.800 0.110 0.000 2.124 150 Q HA -0.092 4.248 4.340 -0.000 0.000 0.202 150 Q C 1.869 177.918 176.000 0.082 0.000 0.977 150 Q CA 1.742 57.589 55.803 0.074 0.000 0.850 150 Q CB -0.307 28.462 28.738 0.051 0.000 0.901 150 Q HN 0.250 nan 8.270 nan 0.000 0.429 151 A N -0.954 121.919 122.820 0.089 0.000 1.969 151 A HA -0.143 4.176 4.320 -0.000 0.000 0.218 151 A C 2.228 179.871 177.584 0.099 0.000 1.169 151 A CA 1.825 53.908 52.037 0.077 0.000 0.635 151 A CB -0.832 18.202 19.000 0.057 0.000 0.810 151 A HN 0.468 nan 8.150 nan 0.000 0.445 152 T N -0.327 114.309 114.554 0.136 0.000 2.701 152 T HA -0.113 4.237 4.350 -0.000 0.000 0.263 152 T C 1.901 176.670 174.700 0.115 0.000 1.040 152 T CA 1.624 63.804 62.100 0.133 0.000 1.147 152 T CB -0.455 68.508 68.868 0.159 0.000 0.865 152 T HN 0.153 nan 8.240 nan 0.000 0.426 153 V N 2.208 122.196 119.914 0.122 0.000 2.343 153 V HA -0.184 3.936 4.120 -0.000 0.000 0.247 153 V C 2.362 178.570 176.094 0.191 0.000 1.051 153 V CA 1.765 64.170 62.300 0.174 0.000 1.036 153 V CB -0.626 31.267 31.823 0.118 0.000 0.654 153 V HN 0.417 nan 8.190 nan 0.000 0.451 154 D N -0.200 120.275 120.400 0.124 0.000 2.117 154 D HA -0.146 4.493 4.640 -0.000 0.000 0.197 154 D C 1.937 178.295 176.300 0.098 0.000 0.987 154 D CA 1.155 55.216 54.000 0.102 0.000 0.829 154 D CB -0.261 40.578 40.800 0.065 0.000 0.961 154 D HN 0.353 nan 8.370 nan 0.000 0.460 155 L N 0.467 121.749 121.223 0.099 0.000 2.072 155 L HA -0.082 4.258 4.340 -0.000 0.000 0.205 155 L C 2.205 179.177 176.870 0.170 0.000 1.079 155 L CA 1.107 56.017 54.840 0.116 0.000 0.752 155 L CB -0.400 41.728 42.059 0.114 0.000 0.906 155 L HN -0.144 nan 8.230 nan 0.000 0.436 156 V N 0.058 120.036 119.914 0.106 0.000 2.332 156 V HA -0.326 3.794 4.120 -0.000 0.000 0.248 156 V C 2.785 178.828 176.094 -0.085 0.000 1.055 156 V CA 2.154 64.451 62.300 -0.005 0.000 1.038 156 V CB -0.745 31.033 31.823 -0.074 0.000 0.651 156 V HN 0.522 nan 8.190 nan 0.000 0.450 157 R N -0.150 120.390 120.500 0.066 0.000 2.091 157 R HA -0.188 4.152 4.340 -0.000 0.000 0.238 157 R C 2.548 178.867 176.300 0.031 0.000 1.136 157 R CA 1.745 57.935 56.100 0.151 0.000 0.959 157 R CB -0.215 30.267 30.300 0.304 0.000 0.856 157 R HN 0.436 nan 8.270 nan 0.000 0.437 158 R N -1.243 119.250 120.500 -0.010 0.000 2.091 158 R HA -0.155 4.185 4.340 -0.000 0.000 0.238 158 R C 2.125 178.315 176.300 -0.183 0.000 1.136 158 R CA 2.041 58.066 56.100 -0.125 0.000 0.959 158 R CB -0.353 29.812 30.300 -0.225 0.000 0.856 158 R HN 0.481 nan 8.270 nan 0.000 0.437 159 H N -0.773 118.292 119.070 -0.008 0.000 2.403 159 H HA -0.011 4.545 4.556 -0.000 0.000 0.298 159 H C 2.052 177.409 175.328 0.047 0.000 1.059 159 H CA 1.079 57.165 56.048 0.063 0.000 1.363 159 H CB 0.129 29.882 29.762 -0.015 0.000 1.410 159 H HN -0.079 nan 8.280 nan 0.000 0.528 160 V N 0.883 120.793 119.914 -0.007 0.000 2.407 160 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 160 V C 1.780 177.857 176.094 -0.028 0.000 1.055 160 V CA 1.870 64.113 62.300 -0.096 0.000 1.049 160 V CB -0.304 31.309 31.823 -0.349 0.000 0.662 160 V HN 0.510 nan 8.190 nan 0.000 0.455 161 E N -0.483 119.709 120.200 -0.013 0.000 2.418 161 E HA -0.157 4.193 4.350 -0.000 0.000 0.197 161 E C 2.014 178.593 176.600 -0.035 0.000 1.026 161 E CA 0.400 56.795 56.400 -0.009 0.000 0.862 161 E CB 0.004 29.705 29.700 0.002 0.000 0.799 161 E HN 0.544 nan 8.360 nan 0.000 0.518 162 Q N -0.799 118.978 119.800 -0.039 0.000 2.425 162 Q HA 0.050 4.390 4.340 -0.000 0.000 0.204 162 Q C 1.210 177.088 176.000 -0.203 0.000 0.933 162 Q CA 0.728 56.467 55.803 -0.106 0.000 0.939 162 Q CB 1.136 29.829 28.738 -0.075 0.000 1.044 162 Q HN 0.402 nan 8.270 nan 0.000 0.513 163 G N 0.532 109.261 108.800 -0.119 0.000 2.143 163 G HA2 -0.302 3.657 3.960 -0.000 0.000 0.249 163 G HA3 -0.302 3.657 3.960 -0.000 0.000 0.249 163 G C -0.231 174.582 174.900 -0.145 0.000 0.981 163 G CA -0.174 44.851 45.100 -0.124 0.000 0.665 163 G HN 0.336 nan 8.290 nan 0.000 0.528 164 Y N -0.017 120.271 120.300 -0.020 0.000 2.702 164 Y HA 0.225 4.775 4.550 -0.000 0.000 0.336 164 Y C 2.038 177.907 175.900 -0.051 0.000 1.235 164 Y CA 0.585 58.670 58.100 -0.025 0.000 1.492 164 Y CB 0.435 38.884 38.460 -0.017 0.000 1.308 164 Y HN 0.133 nan 8.280 nan 0.000 0.589 165 R N 1.655 122.228 120.500 0.122 0.000 2.334 165 R HA 0.149 4.488 4.340 -0.000 0.000 0.216 165 R C 0.151 176.445 176.300 -0.009 0.000 0.905 165 R CA 0.071 56.191 56.100 0.033 0.000 1.064 165 R CB 0.426 30.742 30.300 0.026 0.000 1.046 165 R HN 0.408 nan 8.270 nan 0.000 0.508 166 R N 1.064 121.550 120.500 -0.023 0.000 2.561 166 R HA 0.230 4.570 4.340 -0.000 0.000 0.266 166 R C -1.843 174.372 176.300 -0.141 0.000 1.091 166 R CA -0.502 55.530 56.100 -0.113 0.000 0.927 166 R CB 1.378 31.574 30.300 -0.173 0.000 1.240 166 R HN -0.074 nan 8.270 nan 0.000 0.449 167 I N 3.703 124.165 120.570 -0.179 0.000 2.378 167 I HA 0.376 4.546 4.170 -0.000 0.000 0.291 167 I C 0.054 176.041 176.117 -0.216 0.000 0.992 167 I CA -0.623 60.555 61.300 -0.204 0.000 1.154 167 I CB 1.571 39.453 38.000 -0.196 0.000 1.315 167 I HN 0.491 nan 8.210 nan 0.000 0.448 168 K N 7.564 127.838 120.400 -0.209 0.000 2.307 168 K HA 0.619 4.939 4.320 -0.000 0.000 0.263 168 K C -1.525 175.006 176.600 -0.117 0.000 0.973 168 K CA -0.534 55.654 56.287 -0.164 0.000 0.846 168 K CB 1.281 33.701 32.500 -0.134 0.000 1.100 168 K HN 0.550 nan 8.250 nan 0.000 0.438 169 L N 3.847 125.020 121.223 -0.083 0.000 2.282 169 L HA 0.377 4.717 4.340 -0.000 0.000 0.288 169 L C -0.124 176.757 176.870 0.017 0.000 1.033 169 L CA -1.118 53.699 54.840 -0.038 0.000 0.807 169 L CB 1.404 43.433 42.059 -0.049 0.000 1.209 169 L HN 0.550 nan 8.230 nan 0.000 0.423 170 K N 4.397 124.829 120.400 0.052 0.000 2.350 170 K HA 0.471 4.791 4.320 -0.000 0.000 0.279 170 K C -0.624 176.062 176.600 0.143 0.000 1.027 170 K CA 0.049 56.397 56.287 0.101 0.000 0.969 170 K CB 0.485 33.044 32.500 0.098 0.000 0.954 170 K HN 0.541 nan 8.250 nan 0.000 0.474 171 I N -0.275 120.398 120.570 0.172 0.000 3.042 171 I HA 0.659 4.829 4.170 -0.000 0.000 0.310 171 I C -1.218 175.060 176.117 0.268 0.000 1.117 171 I CA -1.082 60.348 61.300 0.218 0.000 1.003 171 I CB 2.372 40.467 38.000 0.159 0.000 1.228 171 I HN 0.678 nan 8.210 nan 0.000 0.443 172 K N 1.506 122.068 120.400 0.269 0.000 2.579 172 K HA 0.615 4.935 4.320 -0.000 0.000 0.284 172 K C -3.255 173.382 176.600 0.062 0.000 0.990 172 K CA -1.820 54.523 56.287 0.094 0.000 0.880 172 K CB 1.500 34.040 32.500 0.066 0.000 1.488 172 K HN 0.235 nan 8.250 nan 0.000 0.425 173 P HA -0.016 nan 4.420 nan 0.000 0.260 173 P C 0.557 177.896 177.300 0.066 0.000 1.172 173 P CA 1.872 64.916 63.100 -0.094 0.000 0.760 173 P CB 0.427 31.994 31.700 -0.221 0.000 0.773 174 G N 1.787 110.669 108.800 0.137 0.000 2.217 174 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.246 174 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.246 174 G C -0.364 174.735 174.900 0.332 0.000 0.990 174 G CA -0.278 44.929 45.100 0.179 0.000 0.627 174 G HN 0.602 nan 8.290 nan 0.000 0.522 175 W N 1.622 122.952 121.300 0.050 0.000 2.183 175 W HA 0.452 5.111 4.660 -0.000 0.000 0.289 175 W C -0.174 176.391 176.519 0.077 0.000 1.029 175 W CA 0.294 57.667 57.345 0.047 0.000 1.264 175 W CB 0.643 30.119 29.460 0.028 0.000 1.232 175 W HN 0.305 nan 8.180 nan 0.000 0.311 176 D N -0.195 120.094 120.400 -0.185 0.000 2.769 176 D HA -0.017 4.623 4.640 -0.000 0.000 0.155 176 D C 1.452 177.603 176.300 -0.248 0.000 1.479 176 D CA 0.259 54.171 54.000 -0.147 0.000 1.511 176 D CB 0.268 41.114 40.800 0.075 0.000 1.634 176 D HN -0.066 nan 8.370 nan 0.000 0.282 177 V N 0.915 120.733 119.914 -0.161 0.000 2.407 177 V HA -0.239 3.880 4.120 -0.000 0.000 0.248 177 V C 2.456 178.367 176.094 -0.306 0.000 1.055 177 V CA 2.195 64.410 62.300 -0.141 0.000 1.049 177 V CB -0.812 31.003 31.823 -0.013 0.000 0.662 177 V HN 0.194 nan 8.190 nan 0.000 0.455 178 Q N 0.015 119.562 119.800 -0.421 0.000 1.993 178 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 178 Q C 0.037 175.667 176.000 -0.617 0.000 0.984 178 Q CA 2.258 57.751 55.803 -0.517 0.000 0.837 178 Q CB -1.273 27.092 28.738 -0.621 0.000 0.902 178 Q HN 0.552 nan 8.270 nan 0.000 0.423 179 P HA -0.107 nan 4.420 nan 0.000 0.218 179 P C 1.325 178.414 177.300 -0.351 0.000 1.149 179 P CA 1.160 63.935 63.100 -0.542 0.000 0.817 179 P CB 0.039 31.393 31.700 -0.576 0.000 0.785 180 V N 0.950 120.631 119.914 -0.388 0.000 2.307 180 V HA -0.186 3.934 4.120 -0.000 0.000 0.245 180 V C 3.025 178.788 176.094 -0.552 0.000 1.045 180 V CA 1.812 63.897 62.300 -0.359 0.000 1.024 180 V CB -1.109 30.542 31.823 -0.288 0.000 0.651 180 V HN 0.071 nan 8.190 nan 0.000 0.449 181 R N 0.321 120.362 120.500 -0.765 0.000 2.083 181 R HA -0.195 4.145 4.340 -0.000 0.000 0.237 181 R C 2.295 178.347 176.300 -0.413 0.000 1.137 181 R CA 1.889 57.447 56.100 -0.902 0.000 0.951 181 R CB -0.487 29.453 30.300 -0.600 0.000 0.851 181 R HN 0.477 nan 8.270 nan 0.000 0.434 182 A N -0.043 122.609 122.820 -0.280 0.000 1.902 182 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 182 A C 2.203 179.733 177.584 -0.089 0.000 1.181 182 A CA 2.035 53.985 52.037 -0.145 0.000 0.623 182 A CB -0.831 18.110 19.000 -0.099 0.000 0.818 182 A HN 0.474 nan 8.150 nan 0.000 0.443 183 T N -0.776 113.729 114.554 -0.083 0.000 2.737 183 T HA -0.112 4.238 4.350 -0.000 0.000 0.265 183 T C 2.140 176.888 174.700 0.081 0.000 1.038 183 T CA 1.661 63.793 62.100 0.053 0.000 1.144 183 T CB -0.207 68.666 68.868 0.007 0.000 0.866 183 T HN 0.471 nan 8.240 nan 0.000 0.434 184 R N 1.512 121.980 120.500 -0.053 0.000 2.092 184 R HA 0.001 4.341 4.340 -0.000 0.000 0.231 184 R C 2.095 178.398 176.300 0.004 0.000 1.119 184 R CA 1.521 57.619 56.100 -0.003 0.000 0.970 184 R CB -0.475 29.806 30.300 -0.031 0.000 0.864 184 R HN 0.483 nan 8.270 nan 0.000 0.440 185 E N -0.644 119.525 120.200 -0.052 0.000 2.077 185 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 185 E C 1.789 178.322 176.600 -0.112 0.000 0.989 185 E CA 1.328 57.696 56.400 -0.054 0.000 0.800 185 E CB -0.147 29.516 29.700 -0.062 0.000 0.746 185 E HN 0.472 nan 8.360 nan 0.000 0.452 186 A N 0.227 122.941 122.820 -0.177 0.000 2.014 186 A HA -0.034 4.286 4.320 -0.000 0.000 0.218 186 A C 0.597 177.729 177.584 -0.754 0.000 1.163 186 A CA 0.773 52.530 52.037 -0.466 0.000 0.652 186 A CB 0.057 18.735 19.000 -0.537 0.000 0.808 186 A HN 0.177 nan 8.150 nan 0.000 0.449 187 F N -0.738 119.198 119.950 -0.023 0.000 2.809 187 F HA 0.319 4.846 4.527 -0.000 0.000 0.369 187 F C -1.890 173.901 175.800 -0.015 0.000 1.225 187 F CA -1.740 56.250 58.000 -0.017 0.000 1.201 187 F CB 1.671 40.660 39.000 -0.019 0.000 1.527 187 F HN 0.012 nan 8.300 nan 0.000 0.565 188 P HA -0.091 nan 4.420 nan 0.000 0.222 188 P C 0.362 177.704 177.300 0.070 0.000 1.147 188 P CA 1.386 64.525 63.100 0.066 0.000 0.790 188 P CB 0.512 32.230 31.700 0.030 0.000 0.780 189 D N -0.674 119.778 120.400 0.085 0.000 2.474 189 D HA 0.131 4.771 4.640 -0.000 0.000 0.213 189 D C 1.153 177.480 176.300 0.046 0.000 1.120 189 D CA -0.170 53.864 54.000 0.057 0.000 0.836 189 D CB 0.251 41.081 40.800 0.050 0.000 1.019 189 D HN 0.303 nan 8.370 nan 0.000 0.507 190 I N -1.167 119.439 120.570 0.060 0.000 2.882 190 I HA 0.221 4.391 4.170 -0.000 0.000 0.286 190 I C 0.523 176.622 176.117 -0.030 0.000 1.139 190 I CA -0.739 60.563 61.300 0.003 0.000 1.379 190 I CB 0.945 38.918 38.000 -0.045 0.000 1.410 190 I HN -0.351 nan 8.210 nan 0.000 0.594 191 R N 4.180 124.644 120.500 -0.059 0.000 2.296 191 R HA 0.431 4.771 4.340 -0.000 0.000 0.323 191 R C -1.317 174.897 176.300 -0.144 0.000 1.067 191 R CA -0.466 55.576 56.100 -0.097 0.000 0.946 191 R CB 0.511 30.752 30.300 -0.098 0.000 0.991 191 R HN 0.676 nan 8.270 nan 0.000 0.448 192 L N 4.338 125.464 121.223 -0.162 0.000 2.385 192 L HA 0.535 4.875 4.340 -0.000 0.000 0.273 192 L C -0.804 175.901 176.870 -0.274 0.000 0.990 192 L CA -0.028 54.702 54.840 -0.184 0.000 0.821 192 L CB 2.249 44.241 42.059 -0.112 0.000 1.279 192 L HN 0.856 nan 8.230 nan 0.000 0.412 193 T N 1.595 115.958 114.554 -0.320 0.000 2.865 193 T HA 0.860 5.209 4.350 -0.000 0.000 0.294 193 T C -0.681 173.891 174.700 -0.214 0.000 1.119 193 T CA -0.271 61.577 62.100 -0.419 0.000 1.007 193 T CB 1.515 69.896 68.868 -0.811 0.000 1.225 193 T HN 0.932 nan 8.240 nan 0.000 0.515 194 V N -1.490 118.352 119.914 -0.120 0.000 2.962 194 V HA 0.802 4.922 4.120 -0.000 0.000 0.313 194 V C -1.571 174.583 176.094 0.100 0.000 1.099 194 V CA -0.894 61.400 62.300 -0.010 0.000 0.971 194 V CB 1.970 33.788 31.823 -0.007 0.000 1.028 194 V HN 1.019 nan 8.190 nan 0.000 0.430 195 D N 2.597 123.070 120.400 0.121 0.000 2.441 195 D HA 0.674 5.313 4.640 -0.000 0.000 0.231 195 D C 0.630 177.043 176.300 0.189 0.000 1.073 195 D CA 0.127 54.235 54.000 0.181 0.000 0.850 195 D CB 1.735 42.638 40.800 0.172 0.000 1.062 195 D HN 0.918 nan 8.370 nan 0.000 0.524 196 A N 4.074 127.022 122.820 0.214 0.000 2.251 196 A HA 0.040 4.359 4.320 -0.000 0.000 0.209 196 A C 1.202 178.985 177.584 0.332 0.000 1.187 196 A CA 0.209 52.424 52.037 0.297 0.000 0.823 196 A CB -0.439 18.676 19.000 0.192 0.000 0.846 196 A HN 0.683 nan 8.150 nan 0.000 0.486 197 N N -0.903 117.948 118.700 0.251 0.000 2.725 197 N HA -0.209 4.530 4.740 -0.000 0.000 0.249 197 N C 0.133 175.765 175.510 0.202 0.000 1.103 197 N CA 1.083 54.258 53.050 0.209 0.000 0.707 197 N CB -2.048 36.542 38.487 0.171 0.000 1.043 197 N HN 0.394 nan 8.380 nan 0.000 0.553 198 S N -2.963 112.882 115.700 0.243 0.000 3.521 198 S HA -0.234 4.235 4.470 -0.000 0.000 0.362 198 S C 0.937 175.640 174.600 0.171 0.000 1.044 198 S CA 1.076 59.413 58.200 0.228 0.000 1.091 198 S CB -1.650 61.689 63.200 0.231 0.000 0.908 198 S HN 0.922 nan 8.310 nan 0.000 0.473 199 A N -1.283 121.643 122.820 0.176 0.000 2.348 199 A HA 0.540 4.860 4.320 -0.000 0.000 0.224 199 A C 0.182 177.607 177.584 -0.264 0.000 1.227 199 A CA 0.247 52.249 52.037 -0.057 0.000 0.885 199 A CB 0.250 19.155 19.000 -0.159 0.000 0.933 199 A HN 0.533 nan 8.150 nan 0.000 0.506 200 Y N -0.882 119.443 120.300 0.043 0.000 2.630 200 Y HA 0.599 5.149 4.550 -0.000 0.000 0.337 200 Y C 0.822 176.717 175.900 -0.008 0.000 1.051 200 Y CA -0.269 57.843 58.100 0.019 0.000 1.121 200 Y CB 1.613 40.083 38.460 0.016 0.000 1.299 200 Y HN 0.124 nan 8.280 nan 0.000 0.498 201 T N -2.962 111.674 114.554 0.138 0.000 2.742 201 T HA 0.394 4.743 4.350 -0.000 0.000 0.282 201 T C 0.514 175.236 174.700 0.037 0.000 1.025 201 T CA -0.872 61.257 62.100 0.049 0.000 1.020 201 T CB 0.625 69.507 68.868 0.023 0.000 1.317 201 T HN 0.578 nan 8.240 nan 0.000 0.538 202 L N 0.556 121.775 121.223 -0.006 0.000 2.261 202 L HA 0.001 4.341 4.340 -0.000 0.000 0.216 202 L C 3.041 179.917 176.870 0.010 0.000 1.114 202 L CA 1.408 56.240 54.840 -0.013 0.000 0.777 202 L CB -0.799 41.245 42.059 -0.025 0.000 0.910 202 L HN 0.940 nan 8.230 nan 0.000 0.440 203 A N -0.746 122.088 122.820 0.022 0.000 2.186 203 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 203 A C 1.478 179.093 177.584 0.050 0.000 1.159 203 A CA 1.549 53.603 52.037 0.030 0.000 0.680 203 A CB -0.311 18.706 19.000 0.028 0.000 0.787 203 A HN 0.381 nan 8.150 nan 0.000 0.467 204 D N -0.657 119.790 120.400 0.078 0.000 2.368 204 D HA 0.348 4.988 4.640 -0.000 0.000 0.218 204 D C 1.736 178.070 176.300 0.057 0.000 1.112 204 D CA 0.706 54.778 54.000 0.120 0.000 0.834 204 D CB 0.238 41.217 40.800 0.299 0.000 0.953 204 D HN 0.398 nan 8.370 nan 0.000 0.505 205 A N 0.993 123.825 122.820 0.019 0.000 1.908 205 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 205 A C 2.318 179.896 177.584 -0.010 0.000 1.181 205 A CA 2.033 54.064 52.037 -0.010 0.000 0.627 205 A CB -0.945 18.048 19.000 -0.012 0.000 0.818 205 A HN 0.315 nan 8.150 nan 0.000 0.445 206 G N -0.729 108.074 108.800 0.005 0.000 2.422 206 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.218 206 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.218 206 G C 1.743 176.647 174.900 0.007 0.000 1.146 206 G CA 0.938 46.040 45.100 0.004 0.000 0.769 206 G HN 0.588 nan 8.290 nan 0.000 0.547 207 R N -0.130 120.384 120.500 0.024 0.000 2.073 207 R HA 0.100 4.440 4.340 -0.000 0.000 0.234 207 R C 2.570 178.868 176.300 -0.003 0.000 1.134 207 R CA 0.958 57.079 56.100 0.036 0.000 0.952 207 R CB -0.514 29.842 30.300 0.094 0.000 0.850 207 R HN 0.305 nan 8.270 nan 0.000 0.433 208 L N 0.105 121.297 121.223 -0.052 0.000 2.141 208 L HA -0.092 4.248 4.340 -0.000 0.000 0.209 208 L C 2.672 179.506 176.870 -0.061 0.000 1.094 208 L CA 1.020 55.793 54.840 -0.112 0.000 0.763 208 L CB -0.319 41.626 42.059 -0.191 0.000 0.908 208 L HN 0.169 nan 8.230 nan 0.000 0.437 209 R N 0.228 120.703 120.500 -0.042 0.000 2.152 209 R HA -0.178 4.162 4.340 -0.000 0.000 0.232 209 R C 2.155 178.430 176.300 -0.041 0.000 1.117 209 R CA 1.157 57.234 56.100 -0.037 0.000 0.981 209 R CB -0.017 30.265 30.300 -0.030 0.000 0.870 209 R HN 0.452 nan 8.270 nan 0.000 0.451 210 Q N -0.021 119.765 119.800 -0.024 0.000 2.364 210 Q HA -0.099 4.240 4.340 -0.000 0.000 0.207 210 Q C 1.802 177.801 176.000 -0.001 0.000 0.970 210 Q CA 0.832 56.624 55.803 -0.018 0.000 0.888 210 Q CB 0.103 28.854 28.738 0.022 0.000 0.951 210 Q HN 0.409 nan 8.270 nan 0.000 0.469 211 L N 0.233 121.469 121.223 0.023 0.000 2.313 211 L HA -0.127 4.213 4.340 -0.000 0.000 0.214 211 L C 1.326 178.199 176.870 0.004 0.000 1.119 211 L CA 0.313 55.211 54.840 0.096 0.000 0.809 211 L CB -0.186 41.899 42.059 0.043 0.000 0.933 211 L HN 0.132 nan 8.230 nan 0.000 0.449 212 D N 0.842 121.199 120.400 -0.071 0.000 2.149 212 D HA -0.239 4.401 4.640 -0.000 0.000 0.198 212 D C 1.947 178.148 176.300 -0.165 0.000 0.990 212 D CA 1.553 55.500 54.000 -0.090 0.000 0.839 212 D CB -0.033 40.719 40.800 -0.080 0.000 0.948 212 D HN 0.580 nan 8.370 nan 0.000 0.460 213 E N -0.473 119.524 120.200 -0.339 0.000 2.409 213 E HA -0.180 4.170 4.350 -0.000 0.000 0.198 213 E C 0.811 177.127 176.600 -0.474 0.000 1.024 213 E CA 0.711 56.841 56.400 -0.450 0.000 0.861 213 E CB -0.321 29.034 29.700 -0.575 0.000 0.788 213 E HN 0.344 nan 8.360 nan 0.000 0.521 214 Y N 1.319 121.595 120.300 -0.040 0.000 2.468 214 Y HA 0.146 4.696 4.550 -0.000 0.000 0.268 214 Y C -0.178 175.695 175.900 -0.045 0.000 1.177 214 Y CA -0.504 57.571 58.100 -0.042 0.000 1.265 214 Y CB 0.069 38.497 38.460 -0.053 0.000 1.103 214 Y HN -0.063 nan 8.280 nan 0.000 0.522 215 D N 0.627 121.048 120.400 0.034 0.000 2.697 215 D HA -0.209 4.430 4.640 -0.000 0.000 0.238 215 D C -0.365 175.931 176.300 -0.005 0.000 1.152 215 D CA 0.534 54.538 54.000 0.006 0.000 0.666 215 D CB -1.236 39.567 40.800 0.006 0.000 1.037 215 D HN 0.340 nan 8.370 nan 0.000 0.423 216 L N 0.074 121.289 121.223 -0.014 0.000 2.456 216 L HA 0.039 4.379 4.340 -0.000 0.000 0.272 216 L C 2.217 179.022 176.870 -0.108 0.000 1.189 216 L CA -0.022 54.770 54.840 -0.081 0.000 0.846 216 L CB 0.381 42.392 42.059 -0.081 0.000 1.111 216 L HN -0.045 nan 8.230 nan 0.000 0.475 217 T N 0.810 115.234 114.554 -0.216 0.000 2.821 217 T HA -0.057 4.293 4.350 -0.000 0.000 0.267 217 T C -0.416 174.247 174.700 -0.062 0.000 1.046 217 T CA 1.401 63.397 62.100 -0.173 0.000 1.139 217 T CB -0.140 68.569 68.868 -0.265 0.000 0.871 217 T HN 0.609 nan 8.240 nan 0.000 0.454 218 Y N -1.984 118.310 120.300 -0.010 0.000 2.702 218 Y HA 0.615 5.165 4.550 -0.000 0.000 0.336 218 Y C -1.849 174.063 175.900 0.021 0.000 1.203 218 Y CA -2.285 55.828 58.100 0.020 0.000 1.072 218 Y CB 0.505 39.003 38.460 0.064 0.000 1.327 218 Y HN -0.149 nan 8.280 nan 0.000 0.456 219 I N 2.203 122.931 120.570 0.263 0.000 2.339 219 I HA 0.302 4.472 4.170 -0.000 0.000 0.290 219 I C -0.408 175.880 176.117 0.284 0.000 0.994 219 I CA -0.600 60.818 61.300 0.196 0.000 1.191 219 I CB 1.693 39.736 38.000 0.071 0.000 1.343 219 I HN 0.684 nan 8.210 nan 0.000 0.458 220 E N 5.976 126.369 120.200 0.322 0.000 2.229 220 E HA 0.105 4.455 4.350 -0.000 0.000 0.283 220 E C -0.195 176.541 176.600 0.225 0.000 1.030 220 E CA -0.593 55.977 56.400 0.284 0.000 0.836 220 E CB 0.720 30.640 29.700 0.367 0.000 1.068 220 E HN 0.469 nan 8.360 nan 0.000 0.401 221 Q N 3.735 123.645 119.800 0.184 0.000 2.426 221 Q HA -0.171 4.169 4.340 -0.000 0.000 0.359 221 Q C -1.957 174.254 176.000 0.352 0.000 1.381 221 Q CA 0.634 56.581 55.803 0.240 0.000 1.060 221 Q CB -0.172 28.666 28.738 0.165 0.000 1.253 221 Q HN 0.509 nan 8.270 nan 0.000 0.363 222 P HA -0.126 nan 4.420 nan 0.000 0.219 222 P C 0.327 177.756 177.300 0.215 0.000 1.150 222 P CA 1.068 64.312 63.100 0.240 0.000 0.814 222 P CB 0.289 32.017 31.700 0.046 0.000 0.787 223 L N -1.079 120.183 121.223 0.064 0.000 2.805 223 L HA 0.577 4.917 4.340 -0.000 0.000 0.242 223 L C 0.976 177.928 176.870 0.137 0.000 1.180 223 L CA -1.497 53.287 54.840 -0.092 0.000 1.001 223 L CB -0.593 41.143 42.059 -0.539 0.000 1.864 223 L HN -0.224 nan 8.230 nan 0.000 0.551 224 A N 0.264 123.124 122.820 0.067 0.000 2.520 224 A HA -0.042 4.278 4.320 -0.000 0.000 0.235 224 A C 0.872 178.516 177.584 0.099 0.000 1.065 224 A CA -0.113 51.960 52.037 0.060 0.000 0.764 224 A CB -0.176 18.772 19.000 -0.087 0.000 1.002 224 A HN 0.875 nan 8.150 nan 0.000 0.502 225 W N 1.994 123.326 121.300 0.053 0.000 2.392 225 W HA -0.137 4.523 4.660 -0.000 0.000 0.279 225 W C -0.029 176.474 176.519 -0.026 0.000 1.225 225 W CA 1.355 58.699 57.345 -0.003 0.000 1.233 225 W CB -0.503 28.913 29.460 -0.073 0.000 1.122 225 W HN 0.750 nan 8.180 nan 0.000 0.561 226 D N -0.245 119.667 120.400 -0.812 0.000 2.402 226 D HA 0.010 4.650 4.640 -0.000 0.000 0.216 226 D C -0.116 175.953 176.300 -0.384 0.000 1.128 226 D CA -0.158 53.352 54.000 -0.816 0.000 0.833 226 D CB -0.675 39.208 40.800 -1.528 0.000 0.971 226 D HN 0.094 nan 8.370 nan 0.000 0.503 227 D N 0.618 120.903 120.400 -0.191 0.000 2.175 227 D HA 0.197 4.837 4.640 -0.000 0.000 0.248 227 D C 0.601 176.921 176.300 0.034 0.000 1.047 227 D CA -0.512 53.460 54.000 -0.048 0.000 0.883 227 D CB 1.980 42.803 40.800 0.040 0.000 1.180 227 D HN 0.008 nan 8.370 nan 0.000 0.438 228 L N 2.596 123.822 121.223 0.006 0.000 2.624 228 L HA 0.040 4.380 4.340 -0.000 0.000 0.222 228 L C 2.318 179.216 176.870 0.048 0.000 1.046 228 L CA -0.084 54.762 54.840 0.010 0.000 0.872 228 L CB -0.012 42.016 42.059 -0.053 0.000 1.190 228 L HN 0.289 nan 8.230 nan 0.000 0.487 229 V N 0.506 120.428 119.914 0.013 0.000 2.295 229 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 229 V C 1.995 178.094 176.094 0.007 0.000 1.049 229 V CA 2.071 64.372 62.300 0.002 0.000 1.024 229 V CB -0.391 31.422 31.823 -0.017 0.000 0.648 229 V HN 0.392 nan 8.190 nan 0.000 0.447 230 D N -1.069 119.329 120.400 -0.004 0.000 2.144 230 D HA -0.140 4.500 4.640 -0.000 0.000 0.200 230 D C 2.060 178.323 176.300 -0.063 0.000 0.978 230 D CA 1.316 55.286 54.000 -0.050 0.000 0.833 230 D CB -0.347 40.394 40.800 -0.099 0.000 0.961 230 D HN 0.572 nan 8.370 nan 0.000 0.470 231 H N 0.460 119.514 119.070 -0.027 0.000 2.352 231 H HA -0.007 4.549 4.556 -0.000 0.000 0.299 231 H C 2.034 177.347 175.328 -0.024 0.000 1.097 231 H CA 1.633 57.668 56.048 -0.022 0.000 1.311 231 H CB -0.067 29.679 29.762 -0.027 0.000 1.377 231 H HN 0.121 nan 8.280 nan 0.000 0.504 232 A N 0.604 123.476 122.820 0.086 0.000 1.933 232 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 232 A C 2.225 179.818 177.584 0.015 0.000 1.175 232 A CA 1.887 53.944 52.037 0.034 0.000 0.628 232 A CB -0.324 18.683 19.000 0.012 0.000 0.814 232 A HN 0.439 nan 8.150 nan 0.000 0.444 233 E N -0.160 120.042 120.200 0.003 0.000 2.047 233 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 233 E C 1.782 178.375 176.600 -0.011 0.000 0.987 233 E CA 1.325 57.720 56.400 -0.008 0.000 0.799 233 E CB -0.455 29.235 29.700 -0.017 0.000 0.752 233 E HN 0.395 nan 8.360 nan 0.000 0.449 234 L N 0.397 121.607 121.223 -0.021 0.000 2.079 234 L HA -0.029 4.310 4.340 -0.000 0.000 0.210 234 L C 2.194 179.061 176.870 -0.005 0.000 1.081 234 L CA 2.252 57.077 54.840 -0.026 0.000 0.752 234 L CB -0.985 41.038 42.059 -0.058 0.000 0.896 234 L HN 0.205 nan 8.230 nan 0.000 0.433 235 A N -0.530 122.299 122.820 0.015 0.000 2.019 235 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 235 A C 2.355 179.943 177.584 0.008 0.000 1.164 235 A CA 1.590 53.638 52.037 0.019 0.000 0.644 235 A CB -0.552 18.465 19.000 0.028 0.000 0.805 235 A HN 0.545 nan 8.150 nan 0.000 0.449 236 R N -0.839 119.663 120.500 0.004 0.000 2.189 236 R HA 0.017 4.357 4.340 -0.000 0.000 0.218 236 R C 1.960 178.257 176.300 -0.004 0.000 1.074 236 R CA 1.048 57.148 56.100 0.001 0.000 0.991 236 R CB -0.119 30.181 30.300 -0.000 0.000 0.883 236 R HN 0.475 nan 8.270 nan 0.000 0.457 237 R N 0.464 120.960 120.500 -0.007 0.000 2.254 237 R HA 0.198 4.538 4.340 -0.000 0.000 0.195 237 R C 0.982 177.273 176.300 -0.014 0.000 0.957 237 R CA 0.408 56.502 56.100 -0.011 0.000 1.024 237 R CB 0.269 30.561 30.300 -0.013 0.000 0.952 237 R HN 0.217 nan 8.270 nan 0.000 0.484 238 I N -3.217 117.345 120.570 -0.013 0.000 2.892 238 I HA 0.363 4.533 4.170 -0.000 0.000 0.306 238 I C 0.501 176.612 176.117 -0.010 0.000 1.078 238 I CA -1.074 60.216 61.300 -0.017 0.000 1.032 238 I CB 2.415 40.400 38.000 -0.024 0.000 1.229 238 I HN -0.234 nan 8.210 nan 0.000 0.435 239 R N 1.087 121.579 120.500 -0.014 0.000 2.189 239 R HA 0.145 4.484 4.340 -0.000 0.000 0.203 239 R C 0.176 176.476 176.300 0.000 0.000 1.012 239 R CA 0.314 56.409 56.100 -0.009 0.000 1.015 239 R CB -0.065 30.224 30.300 -0.018 0.000 0.938 239 R HN 0.680 nan 8.270 nan 0.000 0.472 240 T N 4.111 118.665 114.554 -0.001 0.000 2.902 240 T HA 0.105 4.454 4.350 -0.000 0.000 0.301 240 T C -2.332 172.393 174.700 0.041 0.000 1.012 240 T CA -0.884 61.224 62.100 0.014 0.000 1.151 240 T CB 1.039 69.911 68.868 0.007 0.000 0.946 240 T HN -0.035 nan 8.240 nan 0.000 0.542 241 P HA 0.151 nan 4.420 nan 0.000 0.267 241 P C -0.437 176.939 177.300 0.127 0.000 1.200 241 P CA -0.199 62.956 63.100 0.091 0.000 0.772 241 P CB 0.430 32.201 31.700 0.119 0.000 0.855 242 L N 2.267 123.549 121.223 0.098 0.000 2.334 242 L HA 0.440 4.780 4.340 -0.000 0.000 0.277 242 L C 0.323 177.230 176.870 0.061 0.000 1.075 242 L CA -0.608 54.296 54.840 0.108 0.000 0.804 242 L CB 1.295 43.419 42.059 0.108 0.000 1.174 242 L HN 0.434 nan 8.230 nan 0.000 0.438 243 C N 4.946 124.279 119.300 0.054 0.000 2.379 243 C HA 0.625 5.085 4.460 -0.000 0.000 0.323 243 C C -0.105 174.831 174.990 -0.091 0.000 1.262 243 C CA -0.652 58.318 59.018 -0.079 0.000 1.581 243 C CB 0.200 27.787 27.740 -0.254 0.000 2.221 243 C HN 0.698 nan 8.230 nan 0.000 0.497 244 L N 5.480 126.602 121.223 -0.167 0.000 2.322 244 L HA 0.473 4.813 4.340 -0.000 0.000 0.279 244 L C 0.420 177.188 176.870 -0.170 0.000 1.036 244 L CA -0.026 54.695 54.840 -0.198 0.000 0.807 244 L CB 1.508 43.425 42.059 -0.237 0.000 1.226 244 L HN 0.780 nan 8.230 nan 0.000 0.433 245 D N 0.487 120.826 120.400 -0.101 0.000 3.054 245 D HA -0.019 4.621 4.640 -0.000 0.000 0.209 245 D C 1.377 177.683 176.300 0.009 0.000 1.527 245 D CA 0.308 54.280 54.000 -0.046 0.000 1.427 245 D CB 0.298 41.131 40.800 0.056 0.000 1.059 245 D HN 0.493 nan 8.370 nan 0.000 0.243 246 E N 0.235 120.468 120.200 0.055 0.000 2.204 246 E HA -0.066 4.284 4.350 -0.000 0.000 0.195 246 E C 1.793 178.444 176.600 0.086 0.000 0.990 246 E CA 1.421 57.855 56.400 0.058 0.000 0.821 246 E CB -0.083 29.657 29.700 0.066 0.000 0.750 246 E HN 0.300 nan 8.360 nan 0.000 0.477 247 S N -0.635 115.068 115.700 0.006 0.000 2.593 247 S HA 0.093 4.563 4.470 -0.000 0.000 0.217 247 S C 0.567 175.130 174.600 -0.062 0.000 0.966 247 S CA -0.339 57.834 58.200 -0.046 0.000 0.914 247 S CB 0.341 63.468 63.200 -0.121 0.000 0.776 247 S HN -0.065 nan 8.310 nan 0.000 0.523 248 V N 2.039 121.919 119.914 -0.056 0.000 2.275 248 V HA 0.694 4.814 4.120 -0.000 0.000 0.272 248 V C 0.583 176.661 176.094 -0.026 0.000 1.028 248 V CA -0.068 62.194 62.300 -0.063 0.000 0.810 248 V CB 0.468 32.228 31.823 -0.105 0.000 1.043 248 V HN 0.459 nan 8.190 nan 0.000 0.453 249 A N 3.809 126.626 122.820 -0.006 0.000 2.470 249 A HA 0.680 5.000 4.320 -0.000 0.000 0.251 249 A C 0.639 178.230 177.584 0.012 0.000 1.245 249 A CA 0.497 52.544 52.037 0.018 0.000 0.932 249 A CB 0.223 19.250 19.000 0.046 0.000 1.037 249 A HN 0.943 nan 8.150 nan 0.000 0.522 250 S N -3.317 112.382 115.700 -0.001 0.000 2.615 250 S HA 0.593 5.063 4.470 -0.000 0.000 0.268 250 S C 0.726 175.325 174.600 -0.002 0.000 1.146 250 S CA 0.074 58.278 58.200 0.006 0.000 0.818 250 S CB 0.810 64.017 63.200 0.012 0.000 1.111 250 S HN 1.054 nan 8.310 nan 0.000 0.465 251 A N 1.604 124.431 122.820 0.012 0.000 1.930 251 A HA 0.039 4.359 4.320 -0.000 0.000 0.217 251 A C 2.296 179.890 177.584 0.017 0.000 1.175 251 A CA 2.228 54.276 52.037 0.018 0.000 0.627 251 A CB -1.514 17.509 19.000 0.038 0.000 0.815 251 A HN 1.651 nan 8.150 nan 0.000 0.443 252 S N 0.202 115.912 115.700 0.016 0.000 2.383 252 S HA -0.163 4.307 4.470 -0.000 0.000 0.227 252 S C 1.388 175.982 174.600 -0.009 0.000 1.026 252 S CA 1.302 59.510 58.200 0.014 0.000 0.981 252 S CB -0.482 62.727 63.200 0.015 0.000 0.818 252 S HN 0.486 nan 8.310 nan 0.000 0.472 253 D N 2.623 123.011 120.400 -0.021 0.000 2.117 253 D HA 0.030 4.670 4.640 -0.000 0.000 0.197 253 D C 2.290 178.544 176.300 -0.077 0.000 0.987 253 D CA 1.490 55.463 54.000 -0.045 0.000 0.829 253 D CB -0.740 40.034 40.800 -0.043 0.000 0.961 253 D HN 0.543 nan 8.370 nan 0.000 0.460 254 A N 1.216 123.991 122.820 -0.075 0.000 1.902 254 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 254 A C 2.185 179.665 177.584 -0.172 0.000 1.181 254 A CA 1.550 53.514 52.037 -0.120 0.000 0.623 254 A CB -0.448 18.500 19.000 -0.087 0.000 0.818 254 A HN 0.058 nan 8.150 nan 0.000 0.443 255 R N 0.397 120.853 120.500 -0.073 0.000 2.083 255 R HA -0.152 4.188 4.340 -0.000 0.000 0.237 255 R C 1.912 178.139 176.300 -0.121 0.000 1.137 255 R CA 2.173 58.256 56.100 -0.027 0.000 0.951 255 R CB -0.467 29.907 30.300 0.124 0.000 0.851 255 R HN 0.595 nan 8.270 nan 0.000 0.434 256 K N -0.020 120.333 120.400 -0.079 0.000 2.057 256 K HA -0.060 4.260 4.320 -0.000 0.000 0.207 256 K C 2.208 178.730 176.600 -0.130 0.000 1.049 256 K CA 1.461 57.705 56.287 -0.073 0.000 0.931 256 K CB -0.212 32.259 32.500 -0.048 0.000 0.714 256 K HN 0.236 nan 8.250 nan 0.000 0.440 257 A N 1.434 124.153 122.820 -0.168 0.000 1.883 257 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 257 A C 2.138 179.565 177.584 -0.262 0.000 1.186 257 A CA 1.402 53.326 52.037 -0.188 0.000 0.624 257 A CB -0.680 18.205 19.000 -0.192 0.000 0.822 257 A HN 0.160 nan 8.150 nan 0.000 0.444 258 L N -1.048 119.899 121.223 -0.459 0.000 2.109 258 L HA -0.096 4.244 4.340 -0.000 0.000 0.207 258 L C 3.024 179.564 176.870 -0.550 0.000 1.086 258 L CA 0.868 55.293 54.840 -0.691 0.000 0.760 258 L CB -0.463 40.780 42.059 -1.360 0.000 0.910 258 L HN 0.423 nan 8.230 nan 0.000 0.437 259 A N -0.062 122.513 122.820 -0.407 0.000 1.969 259 A HA -0.102 4.217 4.320 -0.000 0.000 0.218 259 A C 2.213 179.789 177.584 -0.014 0.000 1.169 259 A CA 1.136 53.169 52.037 -0.006 0.000 0.635 259 A CB -0.541 18.533 19.000 0.125 0.000 0.810 259 A HN 0.357 nan 8.150 nan 0.000 0.445 260 L N -1.214 119.971 121.223 -0.063 0.000 2.291 260 L HA 0.058 4.398 4.340 -0.000 0.000 0.214 260 L C 1.704 178.554 176.870 -0.033 0.000 1.120 260 L CA 0.691 55.508 54.840 -0.037 0.000 0.799 260 L CB -0.314 41.719 42.059 -0.044 0.000 0.925 260 L HN 0.602 nan 8.230 nan 0.000 0.446 261 G N -0.655 108.109 108.800 -0.059 0.000 2.182 261 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.248 261 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.248 261 G C 0.902 175.782 174.900 -0.033 0.000 1.042 261 G CA 0.383 45.459 45.100 -0.041 0.000 0.775 261 G HN 0.441 nan 8.290 nan 0.000 0.501 262 A N -1.030 121.757 122.820 -0.055 0.000 2.014 262 A HA 0.588 4.908 4.320 -0.000 0.000 0.218 262 A C 1.656 179.221 177.584 -0.032 0.000 1.163 262 A CA 1.919 53.942 52.037 -0.023 0.000 0.652 262 A CB 0.139 19.107 19.000 -0.054 0.000 0.808 262 A HN 2.162 nan 8.150 nan 0.000 0.449 263 G N -3.948 104.807 108.800 -0.075 0.000 2.623 263 G HA2 0.452 4.412 3.960 -0.000 0.000 0.290 263 G HA3 0.452 4.412 3.960 -0.000 0.000 0.290 263 G C 0.219 175.077 174.900 -0.069 0.000 1.437 263 G CA 0.224 45.287 45.100 -0.062 0.000 0.798 263 G HN 0.607 nan 8.290 nan 0.000 0.488 264 G N -1.420 107.359 108.800 -0.035 0.000 3.192 264 G HA2 0.468 4.428 3.960 -0.000 0.000 0.239 264 G HA3 0.468 4.428 3.960 -0.000 0.000 0.239 264 G C -0.277 174.605 174.900 -0.029 0.000 1.084 264 G CA 0.341 45.427 45.100 -0.023 0.000 0.784 264 G HN 0.922 nan 8.290 nan 0.000 0.540 265 V N 0.756 120.634 119.914 -0.061 0.000 3.012 265 V HA 0.499 4.619 4.120 -0.000 0.000 0.307 265 V C -1.134 174.858 176.094 -0.169 0.000 1.166 265 V CA -0.797 61.453 62.300 -0.083 0.000 0.974 265 V CB 2.423 34.206 31.823 -0.066 0.000 1.040 265 V HN 0.083 nan 8.190 nan 0.000 0.428 266 I N 2.984 123.416 120.570 -0.229 0.000 2.436 266 I HA 0.392 4.562 4.170 -0.000 0.000 0.289 266 I C -0.341 175.424 176.117 -0.587 0.000 1.010 266 I CA -0.595 60.509 61.300 -0.326 0.000 1.098 266 I CB 2.001 39.838 38.000 -0.271 0.000 1.266 266 I HN 0.618 nan 8.210 nan 0.000 0.434 267 N N 7.028 125.284 118.700 -0.739 0.000 2.399 267 N HA 0.088 4.828 4.740 -0.000 0.000 0.259 267 N C -1.164 173.956 175.510 -0.651 0.000 1.160 267 N CA -0.256 52.063 53.050 -1.219 0.000 0.946 267 N CB 0.712 38.596 38.487 -1.006 0.000 1.156 267 N HN 0.390 nan 8.380 nan 0.000 0.489 268 L N 4.083 124.981 121.223 -0.542 0.000 2.255 268 L HA 0.401 4.740 4.340 -0.000 0.000 0.289 268 L C -0.385 176.408 176.870 -0.129 0.000 1.046 268 L CA -0.168 54.530 54.840 -0.236 0.000 0.816 268 L CB 0.187 42.154 42.059 -0.154 0.000 1.197 268 L HN 0.368 nan 8.230 nan 0.000 0.427 269 K N 4.252 124.587 120.400 -0.108 0.000 2.293 269 K HA 0.227 4.547 4.320 -0.000 0.000 0.267 269 K C 0.745 177.313 176.600 -0.053 0.000 1.010 269 K CA -0.408 55.837 56.287 -0.071 0.000 0.875 269 K CB 2.245 34.702 32.500 -0.071 0.000 1.106 269 K HN 0.534 nan 8.250 nan 0.000 0.450 270 V N 3.290 123.163 119.914 -0.069 0.000 2.332 270 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 270 V C 1.801 177.818 176.094 -0.129 0.000 1.055 270 V CA 2.713 64.936 62.300 -0.128 0.000 1.038 270 V CB -0.148 31.521 31.823 -0.256 0.000 0.651 270 V HN 0.932 nan 8.190 nan 0.000 0.450 271 A N -0.162 122.592 122.820 -0.109 0.000 1.929 271 A HA -0.135 4.184 4.320 -0.000 0.000 0.216 271 A C 2.396 179.969 177.584 -0.019 0.000 1.176 271 A CA 1.475 53.466 52.037 -0.077 0.000 0.628 271 A CB -0.671 18.285 19.000 -0.074 0.000 0.816 271 A HN 0.569 nan 8.150 nan 0.000 0.444 272 R N 0.265 120.767 120.500 0.005 0.000 2.105 272 R HA -0.133 4.206 4.340 -0.000 0.000 0.239 272 R C 1.662 177.984 176.300 0.036 0.000 1.135 272 R CA 2.032 58.165 56.100 0.055 0.000 0.967 272 R CB -0.304 30.055 30.300 0.097 0.000 0.861 272 R HN 0.538 nan 8.270 nan 0.000 0.442 273 V N -3.485 116.434 119.914 0.008 0.000 3.647 273 V HA 0.400 4.520 4.120 -0.000 0.000 0.279 273 V C 0.840 176.941 176.094 0.011 0.000 1.314 273 V CA 0.634 62.939 62.300 0.008 0.000 1.125 273 V CB 0.381 32.203 31.823 -0.003 0.000 0.907 273 V HN 0.430 nan 8.190 nan 0.000 0.434 274 G N -1.471 107.331 108.800 0.003 0.000 2.144 274 G HA2 0.318 4.278 3.960 -0.000 0.000 0.218 274 G HA3 0.318 4.278 3.960 -0.000 0.000 0.218 274 G C 0.975 175.876 174.900 0.002 0.000 0.988 274 G CA -0.014 45.091 45.100 0.008 0.000 0.659 274 G HN 2.289 nan 8.290 nan 0.000 0.522 275 G N -1.721 107.058 108.800 -0.036 0.000 2.362 275 G HA2 0.160 4.120 3.960 -0.000 0.000 0.517 275 G HA3 0.160 4.120 3.960 -0.000 0.000 0.517 275 G C 0.254 175.107 174.900 -0.078 0.000 1.256 275 G CA 0.432 45.493 45.100 -0.065 0.000 1.027 275 G HN 0.564 nan 8.290 nan 0.000 0.491 276 H N -0.064 119.004 119.070 -0.002 0.000 2.357 276 H HA 0.044 4.599 4.556 -0.000 0.000 0.301 276 H C 3.088 178.340 175.328 -0.127 0.000 1.082 276 H CA 2.338 58.275 56.048 -0.184 0.000 1.342 276 H CB -0.400 28.992 29.762 -0.616 0.000 1.389 276 H HN 0.718 nan 8.280 nan 0.000 0.511 277 A N 1.100 124.042 122.820 0.203 0.000 1.877 277 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 277 A C 2.362 180.019 177.584 0.123 0.000 1.186 277 A CA 1.901 54.069 52.037 0.218 0.000 0.620 277 A CB -0.338 18.888 19.000 0.377 0.000 0.822 277 A HN 0.344 nan 8.150 nan 0.000 0.443 278 E N 0.162 120.425 120.200 0.104 0.000 2.150 278 E HA -0.091 4.259 4.350 -0.000 0.000 0.193 278 E C 2.154 178.785 176.600 0.052 0.000 0.985 278 E CA 1.433 57.873 56.400 0.066 0.000 0.814 278 E CB -0.232 29.497 29.700 0.049 0.000 0.752 278 E HN 0.502 nan 8.360 nan 0.000 0.466 279 S N -0.040 115.685 115.700 0.041 0.000 2.368 279 S HA -0.164 4.306 4.470 -0.000 0.000 0.225 279 S C 1.888 176.542 174.600 0.090 0.000 1.030 279 S CA 1.238 59.471 58.200 0.054 0.000 0.999 279 S CB -0.301 62.926 63.200 0.045 0.000 0.844 279 S HN 0.284 nan 8.310 nan 0.000 0.459 280 R N 1.155 121.690 120.500 0.059 0.000 2.091 280 R HA -0.053 4.287 4.340 -0.000 0.000 0.238 280 R C 2.388 178.745 176.300 0.094 0.000 1.136 280 R CA 1.284 57.402 56.100 0.030 0.000 0.959 280 R CB -0.091 30.195 30.300 -0.024 0.000 0.856 280 R HN 0.304 nan 8.270 nan 0.000 0.437 281 R N -0.360 120.191 120.500 0.085 0.000 2.081 281 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 281 R C 2.312 178.664 176.300 0.086 0.000 1.131 281 R CA 1.555 57.707 56.100 0.087 0.000 0.960 281 R CB -0.379 29.964 30.300 0.071 0.000 0.856 281 R HN 0.090 nan 8.270 nan 0.000 0.436 282 V N 0.993 120.947 119.914 0.067 0.000 2.295 282 V HA -0.303 3.817 4.120 -0.000 0.000 0.246 282 V C 2.501 178.612 176.094 0.029 0.000 1.049 282 V CA 2.072 64.390 62.300 0.030 0.000 1.024 282 V CB -0.851 30.969 31.823 -0.006 0.000 0.648 282 V HN 0.474 nan 8.190 nan 0.000 0.447 283 H N 0.593 119.624 119.070 -0.064 0.000 2.319 283 H HA -0.205 4.351 4.556 -0.000 0.000 0.297 283 H C 1.988 177.288 175.328 -0.048 0.000 1.097 283 H CA 2.349 58.330 56.048 -0.112 0.000 1.285 283 H CB -0.183 29.542 29.762 -0.062 0.000 1.368 283 H HN 0.423 nan 8.280 nan 0.000 0.495 284 D N 0.115 120.655 120.400 0.232 0.000 2.149 284 D HA -0.076 4.564 4.640 -0.000 0.000 0.201 284 D C 2.616 178.964 176.300 0.079 0.000 0.972 284 D CA 0.790 54.889 54.000 0.166 0.000 0.835 284 D CB -0.213 40.693 40.800 0.177 0.000 0.966 284 D HN 0.237 nan 8.370 nan 0.000 0.476 285 V N 1.576 121.543 119.914 0.089 0.000 2.295 285 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 285 V C 2.556 178.765 176.094 0.191 0.000 1.049 285 V CA 1.841 64.226 62.300 0.141 0.000 1.024 285 V CB -0.817 31.088 31.823 0.136 0.000 0.648 285 V HN 0.176 nan 8.190 nan 0.000 0.447 286 A N -0.682 122.171 122.820 0.054 0.000 1.883 286 A HA -0.352 3.968 4.320 -0.000 0.000 0.217 286 A C 2.267 179.865 177.584 0.022 0.000 1.186 286 A CA 2.368 54.408 52.037 0.004 0.000 0.624 286 A CB -0.674 18.244 19.000 -0.136 0.000 0.822 286 A HN 0.615 nan 8.150 nan 0.000 0.444 287 Q N 0.267 120.024 119.800 -0.071 0.000 2.135 287 Q HA -0.198 4.142 4.340 -0.000 0.000 0.204 287 Q C 2.155 178.156 176.000 0.002 0.000 0.981 287 Q CA 2.344 58.105 55.803 -0.070 0.000 0.856 287 Q CB -0.246 28.417 28.738 -0.125 0.000 0.902 287 Q HN 0.788 nan 8.270 nan 0.000 0.425 288 S N -1.000 114.713 115.700 0.022 0.000 2.447 288 S HA -0.094 4.376 4.470 -0.000 0.000 0.233 288 S C 1.258 175.793 174.600 -0.108 0.000 1.006 288 S CA 0.656 58.829 58.200 -0.045 0.000 0.957 288 S CB -0.316 62.835 63.200 -0.082 0.000 0.773 288 S HN 0.448 nan 8.310 nan 0.000 0.507 289 F N 1.768 121.696 119.950 -0.037 0.000 2.727 289 F HA 0.401 4.928 4.527 -0.000 0.000 0.302 289 F C 1.839 177.619 175.800 -0.032 0.000 1.097 289 F CA 0.155 58.136 58.000 -0.032 0.000 1.330 289 F CB 0.133 39.111 39.000 -0.037 0.000 1.084 289 F HN 0.386 nan 8.300 nan 0.000 0.578 290 G N 1.035 109.899 108.800 0.107 0.000 2.176 290 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.252 290 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.252 290 G C 0.030 174.957 174.900 0.045 0.000 1.024 290 G CA 0.062 45.196 45.100 0.056 0.000 0.755 290 G HN 0.640 nan 8.290 nan 0.000 0.507 291 A N 0.546 123.388 122.820 0.038 0.000 2.318 291 A HA 0.902 5.221 4.320 -0.000 0.000 0.324 291 A C -1.760 175.787 177.584 -0.061 0.000 1.170 291 A CA -1.487 50.544 52.037 -0.009 0.000 0.810 291 A CB 1.979 20.959 19.000 -0.035 0.000 1.198 291 A HN 0.191 nan 8.150 nan 0.000 0.484 292 P HA 0.423 nan 4.420 nan 0.000 0.279 292 P C -0.248 176.974 177.300 -0.130 0.000 1.252 292 P CA -0.151 62.903 63.100 -0.077 0.000 0.811 292 P CB 1.388 33.097 31.700 0.015 0.000 1.035 293 V N -1.151 118.616 119.914 -0.245 0.000 3.019 293 V HA 0.830 4.950 4.120 -0.000 0.000 0.317 293 V C -0.692 175.328 176.094 -0.123 0.000 1.094 293 V CA -0.852 61.245 62.300 -0.338 0.000 1.000 293 V CB 2.127 33.569 31.823 -0.635 0.000 1.060 293 V HN 0.802 nan 8.190 nan 0.000 0.443 294 W N 0.159 121.374 121.300 -0.142 0.000 3.083 294 W HA 0.653 5.313 4.660 -0.000 0.000 0.333 294 W C -1.300 175.380 176.519 0.268 0.000 1.217 294 W CA -1.366 56.061 57.345 0.138 0.000 1.170 294 W CB 1.173 30.701 29.460 0.113 0.000 1.437 294 W HN 0.860 nan 8.180 nan 0.000 0.557 295 C N 3.153 122.843 119.300 0.649 0.000 2.349 295 C HA 0.637 5.097 4.460 -0.000 0.000 0.348 295 C C 1.190 176.335 174.990 0.257 0.000 1.223 295 C CA 0.493 59.740 59.018 0.382 0.000 1.746 295 C CB -1.016 26.866 27.740 0.237 0.000 2.360 295 C HN 0.788 nan 8.230 nan 0.000 0.533 296 G N 4.255 113.022 108.800 -0.055 0.000 2.606 296 G HA2 0.544 4.504 3.960 -0.000 0.000 0.252 296 G HA3 0.544 4.504 3.960 -0.000 0.000 0.252 296 G C 0.136 175.068 174.900 0.052 0.000 1.206 296 G CA 0.174 45.254 45.100 -0.034 0.000 0.861 296 G HN 1.182 nan 8.290 nan 0.000 0.561 297 G N -0.787 108.056 108.800 0.071 0.000 2.498 297 G HA2 0.513 4.472 3.960 -0.000 0.000 0.312 297 G HA3 0.513 4.472 3.960 -0.000 0.000 0.312 297 G C -0.128 174.740 174.900 -0.052 0.000 1.230 297 G CA -0.660 44.455 45.100 0.025 0.000 0.968 297 G HN 0.400 nan 8.290 nan 0.000 0.481 298 M N 1.895 121.450 119.600 -0.076 0.000 3.181 298 M HA 0.260 4.740 4.480 -0.000 0.000 0.422 298 M C 0.345 176.613 176.300 -0.053 0.000 1.481 298 M CA -0.150 55.081 55.300 -0.116 0.000 0.783 298 M CB -0.266 32.238 32.600 -0.159 0.000 1.437 298 M HN 0.577 nan 8.290 nan 0.000 0.505 299 L N 0.525 121.719 121.223 -0.049 0.000 3.634 299 L HA -0.267 4.073 4.340 -0.000 0.000 0.423 299 L C -0.261 176.633 176.870 0.039 0.000 1.253 299 L CA 0.518 55.318 54.840 -0.065 0.000 0.885 299 L CB -1.865 40.212 42.059 0.031 0.000 1.789 299 L HN 0.362 nan 8.230 nan 0.000 0.904 300 E N 0.215 120.408 120.200 -0.011 0.000 2.373 300 E HA 0.425 4.774 4.350 -0.000 0.000 0.263 300 E C 0.756 177.505 176.600 0.248 0.000 1.073 300 E CA 0.336 56.795 56.400 0.098 0.000 0.894 300 E CB 0.807 30.521 29.700 0.024 0.000 1.008 300 E HN 0.365 nan 8.360 nan 0.000 0.420 301 S N 0.707 116.481 115.700 0.124 0.000 2.612 301 S HA 0.102 4.572 4.470 -0.000 0.000 0.253 301 S C 1.473 176.084 174.600 0.018 0.000 1.346 301 S CA -0.224 57.930 58.200 -0.078 0.000 0.976 301 S CB 0.782 63.826 63.200 -0.261 0.000 0.949 301 S HN 0.641 nan 8.310 nan 0.000 0.584 302 G N 0.177 108.967 108.800 -0.016 0.000 2.479 302 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.220 302 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.220 302 G C 1.232 176.163 174.900 0.053 0.000 1.115 302 G CA 0.726 45.847 45.100 0.036 0.000 0.757 302 G HN 0.617 nan 8.290 nan 0.000 0.560 303 I N 1.706 122.305 120.570 0.049 0.000 2.113 303 I HA -0.080 4.090 4.170 -0.000 0.000 0.238 303 I C 3.046 179.290 176.117 0.211 0.000 1.070 303 I CA 1.550 62.920 61.300 0.117 0.000 1.332 303 I CB -1.551 36.504 38.000 0.091 0.000 1.044 303 I HN 0.228 nan 8.210 nan 0.000 0.402 304 G N 0.285 109.159 108.800 0.123 0.000 2.418 304 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.217 304 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.217 304 G C 1.930 176.902 174.900 0.121 0.000 1.158 304 G CA 0.687 45.850 45.100 0.104 0.000 0.771 304 G HN 0.288 nan 8.290 nan 0.000 0.545 305 R N 0.400 120.951 120.500 0.085 0.000 2.081 305 R HA 0.005 4.345 4.340 -0.000 0.000 0.235 305 R C 2.882 179.236 176.300 0.090 0.000 1.131 305 R CA 1.450 57.590 56.100 0.066 0.000 0.960 305 R CB -0.322 30.006 30.300 0.048 0.000 0.856 305 R HN 0.305 nan 8.270 nan 0.000 0.436 306 A N 0.213 123.097 122.820 0.107 0.000 1.898 306 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 306 A C 1.875 179.559 177.584 0.167 0.000 1.181 306 A CA 1.357 53.459 52.037 0.109 0.000 0.620 306 A CB -0.800 18.244 19.000 0.073 0.000 0.819 306 A HN 0.435 nan 8.150 nan 0.000 0.442 307 H N 0.142 119.292 119.070 0.133 0.000 2.319 307 H HA -0.122 4.434 4.556 -0.000 0.000 0.299 307 H C 1.915 177.342 175.328 0.165 0.000 1.092 307 H CA 1.819 57.978 56.048 0.186 0.000 1.302 307 H CB -0.120 29.747 29.762 0.174 0.000 1.373 307 H HN 0.447 nan 8.280 nan 0.000 0.497 308 N N 0.807 119.622 118.700 0.191 0.000 2.104 308 N HA -0.112 4.628 4.740 -0.000 0.000 0.190 308 N C 2.207 177.708 175.510 -0.016 0.000 1.024 308 N CA 0.759 53.846 53.050 0.062 0.000 0.853 308 N CB -0.475 38.034 38.487 0.036 0.000 1.008 308 N HN 0.358 nan 8.380 nan 0.000 0.424 309 I N 0.542 121.108 120.570 -0.008 0.000 2.226 309 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 309 I C 2.210 178.217 176.117 -0.184 0.000 1.100 309 I CA 1.087 62.323 61.300 -0.107 0.000 1.374 309 I CB -0.310 37.621 38.000 -0.115 0.000 1.057 309 I HN 0.266 nan 8.210 nan 0.000 0.413 310 H N 0.051 119.061 119.070 -0.100 0.000 2.353 310 H HA -0.169 4.387 4.556 -0.000 0.000 0.300 310 H C 2.184 177.407 175.328 -0.176 0.000 1.090 310 H CA 1.709 57.675 56.048 -0.137 0.000 1.327 310 H CB -0.180 29.484 29.762 -0.163 0.000 1.383 310 H HN 0.221 nan 8.280 nan 0.000 0.508 311 L N 0.874 122.085 121.223 -0.020 0.000 2.083 311 L HA -0.112 4.228 4.340 -0.000 0.000 0.209 311 L C 2.141 178.701 176.870 -0.516 0.000 1.083 311 L CA 1.394 56.158 54.840 -0.127 0.000 0.752 311 L CB -0.486 41.582 42.059 0.015 0.000 0.899 311 L HN -0.037 nan 8.230 nan 0.000 0.433 312 S N -1.171 114.124 115.700 -0.675 0.000 2.547 312 S HA -0.115 4.355 4.470 -0.000 0.000 0.235 312 S C 1.707 176.006 174.600 -0.501 0.000 0.980 312 S CA 1.085 58.653 58.200 -1.055 0.000 0.941 312 S CB -0.760 62.112 63.200 -0.547 0.000 0.763 312 S HN 0.793 nan 8.310 nan 0.000 0.532 313 T N -0.264 114.112 114.554 -0.296 0.000 3.118 313 T HA 0.147 4.497 4.350 -0.000 0.000 0.260 313 T C 0.513 175.161 174.700 -0.086 0.000 1.139 313 T CA 0.039 62.044 62.100 -0.158 0.000 1.085 313 T CB -0.406 68.378 68.868 -0.140 0.000 0.934 313 T HN -0.003 nan 8.240 nan 0.000 0.518 314 L N 2.908 124.122 121.223 -0.015 0.000 2.467 314 L HA 0.273 4.613 4.340 -0.000 0.000 0.270 314 L C 1.917 178.992 176.870 0.342 0.000 1.205 314 L CA 0.341 55.241 54.840 0.101 0.000 0.828 314 L CB 0.737 42.749 42.059 -0.077 0.000 1.101 314 L HN 0.332 nan 8.230 nan 0.000 0.479 315 S N 0.102 115.983 115.700 0.302 0.000 2.453 315 S HA -0.123 4.347 4.470 -0.000 0.000 0.231 315 S C 1.254 175.990 174.600 0.226 0.000 1.005 315 S CA 1.032 59.357 58.200 0.208 0.000 0.949 315 S CB -0.490 62.791 63.200 0.135 0.000 0.774 315 S HN 0.759 nan 8.310 nan 0.000 0.510 316 N N -0.205 118.658 118.700 0.272 0.000 2.383 316 N HA 0.119 4.859 4.740 -0.000 0.000 0.192 316 N C -0.976 174.441 175.510 -0.154 0.000 1.141 316 N CA -0.222 52.724 53.050 -0.174 0.000 0.851 316 N CB 0.007 38.041 38.487 -0.756 0.000 0.976 316 N HN 0.328 nan 8.380 nan 0.000 0.465 317 F N 1.303 121.322 119.950 0.115 0.000 2.679 317 F HA 0.212 4.739 4.527 -0.000 0.000 0.351 317 F C 1.390 177.253 175.800 0.105 0.000 1.279 317 F CA -0.053 58.023 58.000 0.127 0.000 1.227 317 F CB 0.305 39.391 39.000 0.142 0.000 1.623 317 F HN -0.114 nan 8.300 nan 0.000 0.666 318 R N 1.233 121.832 120.500 0.166 0.000 2.362 318 R HA 0.312 4.652 4.340 -0.000 0.000 0.227 318 R C -0.156 176.225 176.300 0.134 0.000 0.905 318 R CA 0.123 56.298 56.100 0.125 0.000 1.067 318 R CB 0.467 30.806 30.300 0.066 0.000 1.078 318 R HN 0.399 nan 8.270 nan 0.000 0.516 319 L N 0.703 122.041 121.223 0.192 0.000 2.341 319 L HA 0.498 4.838 4.340 -0.000 0.000 0.267 319 L C -2.431 174.549 176.870 0.182 0.000 1.009 319 L CA -2.663 52.270 54.840 0.155 0.000 0.819 319 L CB 2.019 44.172 42.059 0.156 0.000 1.323 319 L HN -0.268 nan 8.230 nan 0.000 0.425 320 P HA 0.100 nan 4.420 nan 0.000 0.268 320 P C -0.349 177.037 177.300 0.143 0.000 1.205 320 P CA -0.146 63.010 63.100 0.092 0.000 0.771 320 P CB 0.586 32.300 31.700 0.023 0.000 0.858 321 G N 0.944 109.887 108.800 0.238 0.000 2.425 321 G HA2 0.139 4.099 3.960 -0.000 0.000 0.302 321 G HA3 0.139 4.099 3.960 -0.000 0.000 0.302 321 G C 0.143 175.195 174.900 0.253 0.000 1.159 321 G CA -0.393 44.924 45.100 0.362 0.000 0.865 321 G HN 0.314 nan 8.290 nan 0.000 0.515 322 D N 0.407 121.011 120.400 0.340 0.000 2.348 322 D HA 0.013 4.653 4.640 -0.000 0.000 0.248 322 D C 1.103 177.509 176.300 0.176 0.000 1.142 322 D CA 0.591 54.725 54.000 0.222 0.000 0.904 322 D CB 0.027 41.006 40.800 0.298 0.000 0.901 322 D HN 0.204 nan 8.370 nan 0.000 0.523 323 T N 0.581 115.238 114.554 0.172 0.000 3.945 323 T HA 0.165 4.514 4.350 -0.000 0.000 0.306 323 T C 0.807 175.617 174.700 0.182 0.000 1.475 323 T CA -0.438 61.748 62.100 0.144 0.000 1.177 323 T CB -0.095 68.837 68.868 0.107 0.000 1.272 323 T HN 0.048 nan 8.240 nan 0.000 0.930 324 S N 1.181 117.027 115.700 0.242 0.000 2.694 324 S HA 0.536 5.006 4.470 -0.000 0.000 0.278 324 S C 0.422 175.228 174.600 0.344 0.000 1.152 324 S CA -0.983 57.407 58.200 0.317 0.000 1.010 324 S CB 0.625 63.948 63.200 0.205 0.000 1.104 324 S HN 0.327 nan 8.310 nan 0.000 0.547 325 S N 0.695 116.593 115.700 0.329 0.000 2.552 325 S HA 0.327 4.797 4.470 -0.000 0.000 0.289 325 S C 1.540 176.345 174.600 0.342 0.000 1.304 325 S CA -0.124 58.233 58.200 0.262 0.000 1.063 325 S CB 0.508 63.828 63.200 0.201 0.000 0.848 325 S HN 0.929 nan 8.310 nan 0.000 0.499 326 A N 3.266 126.252 122.820 0.276 0.000 1.978 326 A HA -0.118 4.202 4.320 -0.000 0.000 0.220 326 A C 2.286 180.081 177.584 0.351 0.000 1.170 326 A CA 1.817 54.063 52.037 0.349 0.000 0.636 326 A CB -0.952 18.230 19.000 0.302 0.000 0.810 326 A HN 0.923 nan 8.150 nan 0.000 0.448 327 S N -0.612 115.224 115.700 0.226 0.000 2.507 327 S HA -0.092 4.378 4.470 -0.000 0.000 0.235 327 S C 1.811 176.462 174.600 0.084 0.000 0.988 327 S CA 0.847 59.138 58.200 0.152 0.000 0.944 327 S CB -0.430 62.829 63.200 0.098 0.000 0.762 327 S HN 0.604 nan 8.310 nan 0.000 0.526 328 R N -0.554 119.988 120.500 0.070 0.000 2.152 328 R HA -0.017 4.323 4.340 -0.000 0.000 0.232 328 R C 1.256 177.371 176.300 -0.308 0.000 1.117 328 R CA 1.692 57.703 56.100 -0.148 0.000 0.981 328 R CB -0.221 29.884 30.300 -0.324 0.000 0.870 328 R HN 0.612 nan 8.270 nan 0.000 0.451 329 Y N -2.672 117.460 120.300 -0.280 0.000 2.539 329 Y HA 0.125 4.674 4.550 -0.000 0.000 0.284 329 Y C 0.304 175.818 175.900 -0.643 0.000 1.134 329 Y CA -0.270 57.443 58.100 -0.645 0.000 1.251 329 Y CB 0.317 38.096 38.460 -1.136 0.000 1.260 329 Y HN -0.058 nan 8.280 nan 0.000 0.528 330 W N 0.851 122.262 121.300 0.185 0.000 2.702 330 W HA 0.426 5.086 4.660 -0.000 0.000 0.331 330 W C 0.816 177.368 176.519 0.054 0.000 1.049 330 W CA -0.745 56.662 57.345 0.104 0.000 1.230 330 W CB 1.118 30.638 29.460 0.100 0.000 1.408 330 W HN -0.183 nan 8.180 nan 0.000 0.492 331 E N 0.983 121.343 120.200 0.266 0.000 2.152 331 E HA -0.084 4.265 4.350 -0.000 0.000 0.192 331 E C 0.506 177.156 176.600 0.083 0.000 0.983 331 E CA 0.887 57.368 56.400 0.134 0.000 0.818 331 E CB 0.411 30.169 29.700 0.096 0.000 0.758 331 E HN 0.280 nan 8.360 nan 0.000 0.467 332 R N 0.780 121.340 120.500 0.099 0.000 2.515 332 R HA 0.101 4.441 4.340 -0.000 0.000 0.278 332 R C -1.655 174.603 176.300 -0.070 0.000 1.107 332 R CA -0.459 55.566 56.100 -0.124 0.000 0.945 332 R CB 1.516 31.502 30.300 -0.525 0.000 1.219 332 R HN -0.156 nan 8.270 nan 0.000 0.434 333 D N 2.674 123.022 120.400 -0.087 0.000 2.387 333 D HA 0.177 4.817 4.640 -0.000 0.000 0.251 333 D C 1.024 177.310 176.300 -0.022 0.000 1.141 333 D CA -0.381 53.547 54.000 -0.120 0.000 0.987 333 D CB 1.323 42.105 40.800 -0.030 0.000 1.116 333 D HN 0.559 nan 8.370 nan 0.000 0.491 334 L N 1.083 122.284 121.223 -0.038 0.000 2.554 334 L HA 0.132 4.472 4.340 -0.000 0.000 0.226 334 L C 0.937 177.842 176.870 0.057 0.000 1.137 334 L CA 0.239 55.123 54.840 0.074 0.000 0.863 334 L CB -0.449 41.577 42.059 -0.056 0.000 0.985 334 L HN 0.343 nan 8.230 nan 0.000 0.451 335 I N -4.811 115.769 120.570 0.016 0.000 2.863 335 I HA 0.227 4.397 4.170 -0.000 0.000 0.311 335 I C 0.738 176.861 176.117 0.010 0.000 1.026 335 I CA -0.776 60.535 61.300 0.017 0.000 1.077 335 I CB 1.287 39.295 38.000 0.012 0.000 1.262 335 I HN -0.102 nan 8.210 nan 0.000 0.461 336 Q N 0.815 120.621 119.800 0.011 0.000 2.187 336 Q HA 0.034 4.373 4.340 -0.000 0.000 0.199 336 Q C -0.301 175.698 176.000 -0.001 0.000 0.957 336 Q CA 0.973 56.777 55.803 0.002 0.000 0.857 336 Q CB 0.046 28.788 28.738 0.007 0.000 0.929 336 Q HN 0.653 nan 8.270 nan 0.000 0.453 337 E N 1.778 121.982 120.200 0.006 0.000 2.301 337 E HA 0.159 4.509 4.350 -0.000 0.000 0.275 337 E C -2.330 174.280 176.600 0.017 0.000 1.030 337 E CA -2.079 54.326 56.400 0.009 0.000 0.852 337 E CB 0.492 30.199 29.700 0.012 0.000 1.060 337 E HN 0.019 nan 8.360 nan 0.000 0.401 338 P HA 0.130 nan 4.420 nan 0.000 0.275 338 P C -0.825 176.498 177.300 0.039 0.000 1.228 338 P CA -0.128 62.991 63.100 0.031 0.000 0.786 338 P CB 0.672 32.386 31.700 0.024 0.000 0.927 339 L N 2.643 123.903 121.223 0.061 0.000 2.417 339 L HA 0.374 4.714 4.340 -0.000 0.000 0.259 339 L C 0.138 177.057 176.870 0.082 0.000 1.023 339 L CA -0.235 54.642 54.840 0.062 0.000 0.901 339 L CB 1.091 43.193 42.059 0.072 0.000 1.227 339 L HN 0.220 nan 8.230 nan 0.000 0.454 340 E N 2.263 122.499 120.200 0.060 0.000 2.248 340 E HA 0.653 5.003 4.350 -0.000 0.000 0.267 340 E C -0.770 175.854 176.600 0.040 0.000 0.877 340 E CA -0.569 55.870 56.400 0.065 0.000 0.759 340 E CB 3.044 32.772 29.700 0.047 0.000 1.182 340 E HN 0.474 nan 8.360 nan 0.000 0.418 341 A N 2.013 124.863 122.820 0.049 0.000 2.303 341 A HA 0.673 4.993 4.320 -0.000 0.000 0.317 341 A C -0.442 177.100 177.584 -0.071 0.000 1.149 341 A CA -0.545 51.492 52.037 0.000 0.000 0.822 341 A CB 0.907 19.928 19.000 0.036 0.000 1.131 341 A HN 0.307 nan 8.150 nan 0.000 0.493 342 V N 1.702 121.559 119.914 -0.095 0.000 2.686 342 V HA 0.397 4.517 4.120 -0.000 0.000 0.306 342 V C -0.026 175.984 176.094 -0.140 0.000 1.065 342 V CA 0.252 62.478 62.300 -0.122 0.000 0.894 342 V CB 1.530 33.310 31.823 -0.072 0.000 1.004 342 V HN 1.160 nan 8.190 nan 0.000 0.424 343 D N 3.643 123.934 120.400 -0.180 0.000 2.811 343 D HA -0.175 4.465 4.640 -0.000 0.000 0.231 343 D C 1.165 177.369 176.300 -0.159 0.000 1.157 343 D CA 2.147 56.053 54.000 -0.156 0.000 0.716 343 D CB -1.030 39.716 40.800 -0.089 0.000 1.077 343 D HN 1.743 nan 8.370 nan 0.000 0.428 344 G N -1.322 107.324 108.800 -0.256 0.000 2.153 344 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.252 344 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.252 344 G C 0.176 175.046 174.900 -0.050 0.000 0.994 344 G CA 0.409 45.413 45.100 -0.160 0.000 0.698 344 G HN 0.603 nan 8.290 nan 0.000 0.521 345 L N -0.507 120.680 121.223 -0.060 0.000 2.356 345 L HA 0.732 5.072 4.340 -0.000 0.000 0.277 345 L C 0.049 176.908 176.870 -0.018 0.000 0.996 345 L CA -1.110 53.716 54.840 -0.024 0.000 0.822 345 L CB 1.912 43.955 42.059 -0.028 0.000 1.256 345 L HN 0.158 nan 8.230 nan 0.000 0.413 346 M N 7.133 126.733 119.600 -0.000 0.000 2.088 346 M HA 0.496 4.976 4.480 -0.000 0.000 0.346 346 M C -2.493 173.791 176.300 -0.027 0.000 1.111 346 M CA -2.172 53.128 55.300 0.000 0.000 1.017 346 M CB 1.199 33.813 32.600 0.023 0.000 1.568 346 M HN 0.103 nan 8.290 nan 0.000 0.445 347 P HA 0.076 nan 4.420 nan 0.000 0.271 347 P C -0.857 176.393 177.300 -0.083 0.000 1.218 347 P CA -0.286 62.785 63.100 -0.049 0.000 0.780 347 P CB 0.467 32.147 31.700 -0.034 0.000 0.901 348 V N 5.301 125.142 119.914 -0.121 0.000 2.479 348 V HA 0.097 4.217 4.120 -0.000 0.000 0.281 348 V C -1.596 174.409 176.094 -0.147 0.000 1.031 348 V CA -1.135 61.033 62.300 -0.221 0.000 1.038 348 V CB -0.053 31.604 31.823 -0.277 0.000 0.981 348 V HN 0.590 nan 8.190 nan 0.000 0.478 349 P HA 0.137 nan 4.420 nan 0.000 0.267 349 P C -0.376 176.939 177.300 0.025 0.000 1.209 349 P CA -0.092 62.997 63.100 -0.019 0.000 0.763 349 P CB 0.461 32.175 31.700 0.023 0.000 0.816 350 Q N 1.322 121.129 119.800 0.012 0.000 2.394 350 Q HA 0.508 4.848 4.340 -0.000 0.000 0.248 350 Q C 0.779 176.793 176.000 0.024 0.000 0.992 350 Q CA 0.361 56.175 55.803 0.019 0.000 0.888 350 Q CB 0.568 29.308 28.738 0.002 0.000 1.257 350 Q HN 0.814 nan 8.270 nan 0.000 0.462 351 G N 1.487 110.297 108.800 0.016 0.000 2.381 351 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.672 351 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.672 351 G C -3.020 171.863 174.900 -0.029 0.000 1.324 351 G CA -1.181 43.913 45.100 -0.008 0.000 0.975 351 G HN 0.479 nan 8.290 nan 0.000 0.593 352 P HA 0.484 nan 4.420 nan 0.000 0.274 352 P C 1.262 178.473 177.300 -0.148 0.000 1.231 352 P CA 1.583 64.624 63.100 -0.100 0.000 0.790 352 P CB 0.976 32.618 31.700 -0.097 0.000 0.951 353 G N 2.167 110.844 108.800 -0.205 0.000 2.583 353 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.292 353 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.292 353 G C 1.089 175.693 174.900 -0.495 0.000 1.203 353 G CA 1.152 46.082 45.100 -0.283 0.000 0.987 353 G HN 0.710 nan 8.290 nan 0.000 0.554 354 T N -0.810 113.471 114.554 -0.456 0.000 3.007 354 T HA 0.336 4.686 4.350 -0.000 0.000 0.270 354 T C 2.702 177.333 174.700 -0.113 0.000 1.107 354 T CA 1.810 63.620 62.100 -0.482 0.000 1.118 354 T CB -0.388 68.248 68.868 -0.387 0.000 0.889 354 T HN 2.784 nan 8.240 nan 0.000 0.506 355 G N 0.781 109.530 108.800 -0.084 0.000 2.153 355 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.252 355 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.252 355 G C 0.173 175.081 174.900 0.013 0.000 0.994 355 G CA 0.517 45.626 45.100 0.014 0.000 0.698 355 G HN 1.608 nan 8.290 nan 0.000 0.521 356 V N -3.836 116.072 119.914 -0.011 0.000 3.074 356 V HA 1.006 5.126 4.120 -0.000 0.000 0.314 356 V C -0.127 175.961 176.094 -0.009 0.000 1.117 356 V CA -0.268 62.031 62.300 -0.001 0.000 1.014 356 V CB 2.251 34.081 31.823 0.012 0.000 1.057 356 V HN 0.596 nan 8.190 nan 0.000 0.438 357 T N 3.082 117.637 114.554 0.001 0.000 2.928 357 T HA 0.563 4.913 4.350 -0.000 0.000 0.296 357 T C -0.389 174.318 174.700 0.013 0.000 1.000 357 T CA -0.445 61.657 62.100 0.003 0.000 0.989 357 T CB 1.274 70.144 68.868 0.004 0.000 1.005 357 T HN 0.773 nan 8.240 nan 0.000 0.442 358 L N 2.775 124.008 121.223 0.015 0.000 2.525 358 L HA 0.109 4.449 4.340 -0.000 0.000 0.278 358 L C 0.734 177.627 176.870 0.038 0.000 1.218 358 L CA -0.072 54.783 54.840 0.025 0.000 0.878 358 L CB 0.274 42.346 42.059 0.022 0.000 1.127 358 L HN 0.650 nan 8.230 nan 0.000 0.492 359 D N 3.499 123.935 120.400 0.060 0.000 2.468 359 D HA 0.060 4.700 4.640 -0.000 0.000 0.218 359 D C 1.055 177.413 176.300 0.096 0.000 1.155 359 D CA -0.249 53.802 54.000 0.085 0.000 0.924 359 D CB 0.633 41.502 40.800 0.116 0.000 1.029 359 D HN 0.309 nan 8.370 nan 0.000 0.515 360 R N 2.436 122.973 120.500 0.061 0.000 2.115 360 R HA -0.067 4.273 4.340 -0.000 0.000 0.230 360 R C 1.473 177.797 176.300 0.040 0.000 1.111 360 R CA 0.790 56.914 56.100 0.041 0.000 0.976 360 R CB 0.076 30.396 30.300 0.034 0.000 0.870 360 R HN 0.588 nan 8.270 nan 0.000 0.445 361 E N -0.260 119.978 120.200 0.064 0.000 2.051 361 E HA -0.175 4.174 4.350 -0.000 0.000 0.192 361 E C 1.721 178.377 176.600 0.093 0.000 0.991 361 E CA 1.186 57.626 56.400 0.067 0.000 0.799 361 E CB -0.238 29.508 29.700 0.077 0.000 0.748 361 E HN 0.232 nan 8.360 nan 0.000 0.449 362 F N 1.209 121.154 119.950 -0.008 0.000 2.146 362 F HA -0.191 4.336 4.527 -0.000 0.000 0.298 362 F C 2.162 177.950 175.800 -0.020 0.000 1.096 362 F CA 0.690 58.682 58.000 -0.013 0.000 1.275 362 F CB -0.015 38.974 39.000 -0.019 0.000 1.008 362 F HN 0.013 nan 8.300 nan 0.000 0.480 363 L N 1.302 122.432 121.223 -0.155 0.000 2.043 363 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 363 L C 2.413 179.142 176.870 -0.234 0.000 1.075 363 L CA 2.114 56.807 54.840 -0.246 0.000 0.752 363 L CB -1.397 40.611 42.059 -0.084 0.000 0.891 363 L HN 0.181 nan 8.230 nan 0.000 0.432 364 A N -1.125 121.613 122.820 -0.137 0.000 1.940 364 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 364 A C 2.346 179.850 177.584 -0.133 0.000 1.176 364 A CA 2.301 54.277 52.037 -0.101 0.000 0.631 364 A CB -1.397 17.575 19.000 -0.048 0.000 0.814 364 A HN 0.665 nan 8.150 nan 0.000 0.446 365 T N -2.270 112.172 114.554 -0.187 0.000 3.035 365 T HA 0.014 4.363 4.350 -0.000 0.000 0.268 365 T C 1.109 175.684 174.700 -0.208 0.000 1.109 365 T CA 1.438 63.439 62.100 -0.165 0.000 1.119 365 T CB -0.478 68.317 68.868 -0.122 0.000 0.900 365 T HN 0.872 nan 8.240 nan 0.000 0.503 366 V N -2.103 117.619 119.914 -0.320 0.000 3.276 366 V HA 0.402 4.522 4.120 -0.000 0.000 0.319 366 V C 0.351 176.344 176.094 -0.169 0.000 1.427 366 V CA -0.698 61.450 62.300 -0.253 0.000 1.102 366 V CB -0.585 31.013 31.823 -0.374 0.000 1.020 366 V HN 0.194 nan 8.190 nan 0.000 0.456 367 T N 3.040 117.508 114.554 -0.143 0.000 2.851 367 T HA 0.281 4.631 4.350 -0.000 0.000 0.298 367 T C 1.058 175.718 174.700 -0.067 0.000 0.977 367 T CA 0.718 62.761 62.100 -0.094 0.000 1.126 367 T CB 1.264 70.085 68.868 -0.078 0.000 0.916 367 T HN 0.849 nan 8.240 nan 0.000 0.529 368 E N 1.705 121.874 120.200 -0.052 0.000 2.490 368 E HA 0.498 4.847 4.350 -0.000 0.000 0.209 368 E C 0.257 176.839 176.600 -0.030 0.000 0.971 368 E CA -0.487 55.889 56.400 -0.042 0.000 0.988 368 E CB 0.654 30.328 29.700 -0.042 0.000 1.029 368 E HN 0.501 nan 8.360 nan 0.000 0.496 369 A N 1.559 124.364 122.820 -0.026 0.000 2.547 369 A HA 0.514 4.834 4.320 -0.000 0.000 0.297 369 A C -1.622 175.956 177.584 -0.009 0.000 1.056 369 A CA -0.695 51.334 52.037 -0.015 0.000 0.688 369 A CB 1.671 20.666 19.000 -0.008 0.000 1.282 369 A HN 0.216 nan 8.150 nan 0.000 0.400 370 Q N 1.194 120.992 119.800 -0.003 0.000 2.386 370 Q HA 0.674 5.014 4.340 -0.000 0.000 0.274 370 Q C -1.523 174.482 176.000 0.008 0.000 1.011 370 Q CA -0.614 55.194 55.803 0.007 0.000 0.867 370 Q CB 1.961 30.699 28.738 -0.000 0.000 1.409 370 Q HN 0.896 nan 8.270 nan 0.000 0.395 371 E N 1.678 121.894 120.200 0.027 0.000 2.390 371 E HA 0.497 4.846 4.350 -0.000 0.000 0.277 371 E C -1.547 175.061 176.600 0.014 0.000 0.939 371 E CA -0.922 55.476 56.400 -0.003 0.000 0.769 371 E CB 2.522 32.241 29.700 0.031 0.000 1.251 371 E HN 0.657 nan 8.360 nan 0.000 0.450 372 E N 1.561 121.702 120.200 -0.098 0.000 2.238 372 E HA 0.324 4.674 4.350 -0.000 0.000 0.267 372 E C -1.282 175.167 176.600 -0.251 0.000 0.887 372 E CA -0.713 55.657 56.400 -0.051 0.000 0.769 372 E CB 1.431 31.111 29.700 -0.034 0.000 1.187 372 E HN 0.520 nan 8.360 nan 0.000 0.416 373 H N 2.866 121.960 119.070 0.040 0.000 2.600 373 H HA 0.506 5.062 4.556 -0.000 0.000 0.357 373 H C -0.428 174.927 175.328 0.046 0.000 1.106 373 H CA -0.779 55.292 56.048 0.039 0.000 1.193 373 H CB 1.794 31.583 29.762 0.044 0.000 1.594 373 H HN 0.442 nan 8.280 nan 0.000 0.526 374 R N 0.483 121.062 120.500 0.131 0.000 2.905 374 R HA 0.658 4.998 4.340 -0.000 0.000 0.260 374 R C -0.302 176.054 176.300 0.093 0.000 1.086 374 R CA -0.869 55.288 56.100 0.095 0.000 0.978 374 R CB 1.781 32.109 30.300 0.047 0.000 1.215 374 R HN 0.624 nan 8.270 nan 0.000 0.480 375 A N 0.000 122.865 122.820 0.075 0.000 2.254 375 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 375 A CA 0.000 52.075 52.037 0.062 0.000 0.836 375 A CB 0.000 19.030 19.000 0.051 0.000 0.831 375 A HN 0.000 nan 8.150 nan 0.000 0.486