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 2fkp_1_B DATA FIRST_RESID 6 DATA SEQUENCE RMFKIEAAEI VVARLPLKXX XXXXXXXXTH KVVPLLILHG EGVQGVAEGT DATA SEQUENCE MEARPMYREE TIAGALDLLR GTFLPAILGQ TFANPEAVSD ALGSYRGNRM DATA SEQUENCE ARAMVEMAAW DLWARTLGVP LCTLLGGHKE 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 AHNIHLSCLS 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 0.000 176.477 176.300 0.295 0.000 0.893 6 R CA 0.000 56.218 56.100 0.197 0.000 0.921 6 R CB 0.000 30.370 30.300 0.117 0.000 0.687 7 M N 1.170 120.878 119.600 0.179 0.000 2.227 7 M HA 0.412 4.891 4.480 -0.002 0.000 0.316 7 M C -0.482 175.960 176.300 0.236 0.000 1.144 7 M CA -0.350 55.032 55.300 0.136 0.000 1.121 7 M CB 0.382 32.947 32.600 -0.059 0.000 1.440 7 M HN 0.487 nan 8.290 nan 0.000 0.473 8 F N -0.488 119.535 119.950 0.122 0.000 2.508 8 F HA 0.696 5.222 4.527 -0.002 0.000 0.325 8 F C -0.708 175.165 175.800 0.122 0.000 1.090 8 F CA -1.238 56.847 58.000 0.143 0.000 0.945 8 F CB 0.841 39.965 39.000 0.207 0.000 1.156 8 F HN 0.399 nan 8.300 nan 0.000 0.463 9 K N 4.680 125.198 120.400 0.197 0.000 2.213 9 K HA 0.545 4.864 4.320 -0.002 0.000 0.270 9 K C -1.067 175.671 176.600 0.230 0.000 1.002 9 K CA -0.594 55.752 56.287 0.099 0.000 0.868 9 K CB 0.982 33.511 32.500 0.049 0.000 1.093 9 K HN 0.890 nan 8.250 nan 0.000 0.454 10 I N 5.178 125.901 120.570 0.255 0.000 2.308 10 I HA 0.042 4.211 4.170 -0.002 0.000 0.293 10 I C 0.729 176.958 176.117 0.188 0.000 1.078 10 I CA -0.014 61.450 61.300 0.274 0.000 1.292 10 I CB 1.072 39.262 38.000 0.316 0.000 1.423 10 I HN 0.790 nan 8.210 nan 0.000 0.493 11 E N 4.639 124.944 120.200 0.176 0.000 2.166 11 E HA 0.245 4.594 4.350 -0.002 0.000 0.192 11 E C 0.465 177.146 176.600 0.134 0.000 0.967 11 E CA 0.216 56.694 56.400 0.131 0.000 0.840 11 E CB 0.437 30.203 29.700 0.110 0.000 0.795 11 E HN 0.732 nan 8.360 nan 0.000 0.470 12 A N 0.518 123.448 122.820 0.184 0.000 2.587 12 A HA 0.793 5.112 4.320 -0.002 0.000 0.293 12 A C -1.606 176.146 177.584 0.279 0.000 1.087 12 A CA -0.352 51.800 52.037 0.193 0.000 0.692 12 A CB 1.826 20.890 19.000 0.107 0.000 1.291 12 A HN 0.096 nan 8.150 nan 0.000 0.407 13 A N 0.721 123.696 122.820 0.257 0.000 2.449 13 A HA 0.780 5.099 4.320 -0.002 0.000 0.302 13 A C -0.959 176.773 177.584 0.247 0.000 1.048 13 A CA -0.417 51.761 52.037 0.235 0.000 0.708 13 A CB 1.231 20.330 19.000 0.164 0.000 1.274 13 A HN 0.738 nan 8.150 nan 0.000 0.410 14 E N 1.144 121.467 120.200 0.204 0.000 2.210 14 E HA 0.539 4.888 4.350 -0.002 0.000 0.266 14 E C -1.336 175.337 176.600 0.122 0.000 0.883 14 E CA -0.423 56.077 56.400 0.167 0.000 0.761 14 E CB 2.329 32.128 29.700 0.165 0.000 1.156 14 E HN 0.576 nan 8.360 nan 0.000 0.412 15 I N 2.877 123.520 120.570 0.123 0.000 2.339 15 I HA 0.287 4.455 4.170 -0.002 0.000 0.290 15 I C -0.792 175.353 176.117 0.048 0.000 0.994 15 I CA -0.846 60.501 61.300 0.079 0.000 1.191 15 I CB 1.441 39.493 38.000 0.087 0.000 1.343 15 I HN 0.159 nan 8.210 nan 0.000 0.458 16 V N 7.159 127.088 119.914 0.025 0.000 2.483 16 V HA 0.378 4.497 4.120 -0.002 0.000 0.297 16 V C -0.213 175.876 176.094 -0.009 0.000 1.027 16 V CA -0.732 61.571 62.300 0.005 0.000 0.855 16 V CB 2.045 33.867 31.823 -0.002 0.000 0.995 16 V HN 0.366 nan 8.190 nan 0.000 0.424 17 V N 4.213 124.118 119.914 -0.015 0.000 2.347 17 V HA 0.789 4.908 4.120 -0.002 0.000 0.280 17 V C 0.493 176.565 176.094 -0.037 0.000 1.021 17 V CA -0.352 61.935 62.300 -0.021 0.000 0.847 17 V CB 1.376 33.191 31.823 -0.014 0.000 0.990 17 V HN 0.989 nan 8.190 nan 0.000 0.444 18 A N 5.348 128.140 122.820 -0.047 0.000 2.320 18 A HA 0.794 5.113 4.320 -0.002 0.000 0.334 18 A C -0.001 177.564 177.584 -0.033 0.000 1.147 18 A CA -0.798 51.199 52.037 -0.066 0.000 0.820 18 A CB 1.082 20.015 19.000 -0.111 0.000 1.218 18 A HN 0.710 nan 8.150 nan 0.000 0.482 19 R N 1.853 122.344 120.500 -0.015 0.000 2.287 19 R HA 0.363 4.702 4.340 -0.002 0.000 0.316 19 R C -1.769 174.627 176.300 0.160 0.000 1.050 19 R CA -0.566 55.578 56.100 0.074 0.000 0.983 19 R CB 0.659 30.975 30.300 0.027 0.000 1.140 19 R HN 0.604 nan 8.270 nan 0.000 0.528 20 L N 6.343 127.641 121.223 0.125 0.000 2.275 20 L HA 0.463 4.802 4.340 -0.002 0.000 0.288 20 L C -2.356 174.629 176.870 0.192 0.000 1.046 20 L CA -2.230 52.648 54.840 0.062 0.000 0.805 20 L CB 1.401 43.296 42.059 -0.272 0.000 1.193 20 L HN 0.396 nan 8.230 nan 0.000 0.426 21 P HA 0.141 nan 4.420 nan 0.000 0.271 21 P C -0.770 176.644 177.300 0.189 0.000 1.226 21 P CA 0.001 62.995 63.100 -0.176 0.000 0.765 21 P CB 0.383 31.997 31.700 -0.143 0.000 0.835 22 L N 3.039 124.321 121.223 0.099 0.000 2.397 22 L HA 0.208 4.547 4.340 -0.002 0.000 0.271 22 L C 1.438 178.322 176.870 0.025 0.000 1.148 22 L CA -0.233 54.656 54.840 0.081 0.000 0.825 22 L CB 0.203 42.251 42.059 -0.018 0.000 1.117 22 L HN 0.384 nan 8.230 nan 0.000 0.456 35 H N 0.823 119.955 119.070 0.102 0.000 2.771 35 H HA 0.789 5.344 4.556 -0.002 0.000 0.367 35 H C -1.079 174.346 175.328 0.161 0.000 1.172 35 H CA -0.777 55.356 56.048 0.140 0.000 1.186 35 H CB 2.571 32.391 29.762 0.095 0.000 1.790 35 H HN 0.252 nan 8.280 nan 0.000 0.556 36 K N 1.115 121.717 120.400 0.336 0.000 2.443 36 K HA 0.320 4.638 4.320 -0.002 0.000 0.252 36 K C -1.439 175.277 176.600 0.192 0.000 0.933 36 K CA -0.604 55.850 56.287 0.277 0.000 0.792 36 K CB 1.673 34.419 32.500 0.410 0.000 1.185 36 K HN 0.239 nan 8.250 nan 0.000 0.425 37 V N 4.446 124.435 119.914 0.124 0.000 2.479 37 V HA 0.154 4.272 4.120 -0.002 0.000 0.281 37 V C -0.442 175.681 176.094 0.048 0.000 1.031 37 V CA -0.425 61.914 62.300 0.066 0.000 1.038 37 V CB 1.071 32.919 31.823 0.042 0.000 0.981 37 V HN 0.537 nan 8.190 nan 0.000 0.478 38 V N 8.482 128.402 119.914 0.009 0.000 2.304 38 V HA 0.340 4.459 4.120 -0.002 0.000 0.278 38 V C -2.316 173.763 176.094 -0.024 0.000 1.018 38 V CA -1.723 60.567 62.300 -0.017 0.000 0.814 38 V CB 1.714 33.488 31.823 -0.082 0.000 1.021 38 V HN 0.752 nan 8.190 nan 0.000 0.440 39 P HA 0.437 nan 4.420 nan 0.000 0.287 39 P C -0.889 176.402 177.300 -0.015 0.000 1.281 39 P CA -0.152 62.940 63.100 -0.012 0.000 0.781 39 P CB 1.088 32.784 31.700 -0.007 0.000 0.903 40 L N 3.625 124.841 121.223 -0.011 0.000 2.346 40 L HA 0.576 4.915 4.340 -0.002 0.000 0.274 40 L C -0.138 176.736 176.870 0.005 0.000 1.007 40 L CA -1.166 53.670 54.840 -0.007 0.000 0.818 40 L CB 1.972 44.025 42.059 -0.010 0.000 1.284 40 L HN 0.225 nan 8.230 nan 0.000 0.424 41 L N 4.090 125.316 121.223 0.005 0.000 2.333 41 L HA 0.626 4.965 4.340 -0.002 0.000 0.280 41 L C -0.949 175.921 176.870 -0.000 0.000 1.004 41 L CA 0.029 54.877 54.840 0.014 0.000 0.820 41 L CB 1.485 43.553 42.059 0.016 0.000 1.247 41 L HN 0.383 nan 8.230 nan 0.000 0.416 42 I N 6.179 126.743 120.570 -0.010 0.000 2.389 42 I HA 0.372 4.541 4.170 -0.002 0.000 0.288 42 I C -0.790 175.239 176.117 -0.147 0.000 0.999 42 I CA -0.499 60.742 61.300 -0.098 0.000 1.129 42 I CB 1.500 39.429 38.000 -0.118 0.000 1.288 42 I HN 0.437 nan 8.210 nan 0.000 0.444 43 L N 5.986 127.107 121.223 -0.169 0.000 2.295 43 L HA 0.500 4.839 4.340 -0.002 0.000 0.285 43 L C -0.386 176.362 176.870 -0.204 0.000 1.035 43 L CA -0.634 54.152 54.840 -0.090 0.000 0.806 43 L CB 0.981 43.045 42.059 0.009 0.000 1.214 43 L HN 0.525 nan 8.230 nan 0.000 0.426 44 H N 2.131 121.253 119.070 0.087 0.000 2.489 44 H HA 0.711 5.266 4.556 -0.002 0.000 0.343 44 H C -0.148 175.244 175.328 0.107 0.000 1.086 44 H CA -0.539 55.557 56.048 0.080 0.000 1.198 44 H CB 2.306 32.109 29.762 0.067 0.000 1.490 44 H HN 0.774 nan 8.280 nan 0.000 0.504 45 G N 1.140 110.072 108.800 0.220 0.000 2.616 45 G HA2 0.219 4.177 3.960 -0.002 0.000 0.294 45 G HA3 0.219 4.177 3.960 -0.002 0.000 0.294 45 G C -0.767 174.229 174.900 0.161 0.000 1.489 45 G CA -0.841 44.381 45.100 0.203 0.000 0.836 45 G HN 0.453 nan 8.290 nan 0.000 0.527 46 E N -0.730 119.557 120.200 0.145 0.000 2.722 46 E HA -0.263 4.086 4.350 -0.002 0.000 0.265 46 E C 1.451 178.101 176.600 0.083 0.000 1.081 46 E CA 1.977 58.447 56.400 0.117 0.000 0.781 46 E CB -1.614 28.172 29.700 0.143 0.000 1.372 46 E HN 2.585 nan 8.360 nan 0.000 0.423 47 G N -1.627 107.224 108.800 0.084 0.000 2.168 47 G HA2 -0.339 3.620 3.960 -0.002 0.000 0.263 47 G HA3 -0.339 3.620 3.960 -0.002 0.000 0.263 47 G C 0.498 175.437 174.900 0.065 0.000 0.977 47 G CA 1.254 46.394 45.100 0.067 0.000 0.659 47 G HN 1.070 nan 8.290 nan 0.000 0.533 48 V N -3.284 116.673 119.914 0.073 0.000 3.164 48 V HA 0.981 5.100 4.120 -0.002 0.000 0.313 48 V C -0.353 175.779 176.094 0.063 0.000 1.188 48 V CA -0.219 62.110 62.300 0.048 0.000 1.058 48 V CB 1.855 33.678 31.823 0.000 0.000 1.110 48 V HN 1.100 nan 8.190 nan 0.000 0.453 49 Q N 0.500 120.302 119.800 0.004 0.000 2.389 49 Q HA 0.785 5.124 4.340 -0.002 0.000 0.277 49 Q C -0.677 175.270 176.000 -0.088 0.000 1.082 49 Q CA -0.573 55.179 55.803 -0.085 0.000 0.810 49 Q CB 2.272 30.918 28.738 -0.153 0.000 1.374 49 Q HN 1.312 nan 8.270 nan 0.000 0.422 50 G N 0.963 109.701 108.800 -0.104 0.000 2.461 50 G HA2 0.590 4.549 3.960 -0.002 0.000 0.323 50 G HA3 0.590 4.549 3.960 -0.002 0.000 0.323 50 G C -1.161 173.721 174.900 -0.030 0.000 1.229 50 G CA -0.644 44.432 45.100 -0.042 0.000 0.941 50 G HN 0.427 nan 8.290 nan 0.000 0.477 51 V N 0.664 120.602 119.914 0.040 0.000 2.656 51 V HA 0.865 4.984 4.120 -0.002 0.000 0.307 51 V C 0.210 176.407 176.094 0.172 0.000 1.051 51 V CA -0.616 61.721 62.300 0.061 0.000 0.893 51 V CB 1.206 33.051 31.823 0.036 0.000 0.999 51 V HN 1.221 nan 8.190 nan 0.000 0.426 52 A N 3.270 126.129 122.820 0.066 0.000 2.527 52 A HA 0.901 5.220 4.320 -0.002 0.000 0.293 52 A C -0.952 176.607 177.584 -0.041 0.000 1.117 52 A CA -0.656 51.360 52.037 -0.036 0.000 0.723 52 A CB 1.998 20.905 19.000 -0.155 0.000 1.313 52 A HN 0.867 nan 8.150 nan 0.000 0.411 53 E N 0.874 121.026 120.200 -0.079 0.000 2.199 53 E HA 0.538 4.887 4.350 -0.002 0.000 0.265 53 E C 0.095 176.662 176.600 -0.055 0.000 0.882 53 E CA -0.665 55.709 56.400 -0.043 0.000 0.759 53 E CB 1.584 31.274 29.700 -0.016 0.000 1.148 53 E HN 0.948 nan 8.360 nan 0.000 0.412 54 G N 1.666 110.446 108.800 -0.034 0.000 2.406 54 G HA2 0.178 4.137 3.960 -0.002 0.000 0.251 54 G HA3 0.178 4.137 3.960 -0.002 0.000 0.251 54 G C 0.639 175.524 174.900 -0.025 0.000 1.271 54 G CA 0.068 45.152 45.100 -0.027 0.000 0.859 54 G HN 0.608 nan 8.290 nan 0.000 0.540 55 T N 0.563 115.099 114.554 -0.030 0.000 3.092 55 T HA 0.205 4.554 4.350 -0.002 0.000 0.258 55 T C 1.087 175.776 174.700 -0.018 0.000 1.031 55 T CA -0.450 61.628 62.100 -0.037 0.000 0.925 55 T CB -0.108 68.717 68.868 -0.072 0.000 1.036 55 T HN 0.514 nan 8.240 nan 0.000 0.544 56 M N 1.264 120.864 119.600 0.001 0.000 2.242 56 M HA 0.553 5.032 4.480 -0.002 0.000 0.344 56 M C -0.629 175.676 176.300 0.009 0.000 1.140 56 M CA -0.092 55.216 55.300 0.013 0.000 1.160 56 M CB 0.270 32.876 32.600 0.010 0.000 1.491 56 M HN 0.079 nan 8.290 nan 0.000 0.459 57 E N 1.493 121.701 120.200 0.013 0.000 2.254 57 E HA 0.645 4.994 4.350 -0.002 0.000 0.258 57 E C 0.922 177.526 176.600 0.006 0.000 1.033 57 E CA -0.484 55.924 56.400 0.013 0.000 0.893 57 E CB 1.030 30.741 29.700 0.018 0.000 1.204 57 E HN 0.766 nan 8.360 nan 0.000 0.425 58 A N 1.029 123.854 122.820 0.008 0.000 1.940 58 A HA -0.120 4.199 4.320 -0.002 0.000 0.219 58 A C 0.790 178.371 177.584 -0.004 0.000 1.176 58 A CA 1.371 53.410 52.037 0.002 0.000 0.631 58 A CB -0.163 18.840 19.000 0.006 0.000 0.814 58 A HN 0.408 nan 8.150 nan 0.000 0.446 59 R N -1.053 119.444 120.500 -0.005 0.000 2.854 59 R HA 0.416 4.755 4.340 -0.002 0.000 0.271 59 R C -2.955 173.330 176.300 -0.025 0.000 0.996 59 R CA -2.222 53.869 56.100 -0.014 0.000 0.961 59 R CB 1.285 31.578 30.300 -0.012 0.000 1.182 59 R HN -0.006 nan 8.270 nan 0.000 0.479 60 P HA 0.160 nan 4.420 nan 0.000 0.247 60 P C -0.395 176.833 177.300 -0.120 0.000 1.756 60 P CA 0.170 63.221 63.100 -0.082 0.000 1.117 60 P CB 0.421 32.068 31.700 -0.088 0.000 1.869 61 M N 0.746 120.294 119.600 -0.086 0.000 2.906 61 M HA 0.045 4.523 4.480 -0.002 0.000 0.252 61 M C 1.821 178.057 176.300 -0.108 0.000 1.359 61 M CA 0.783 56.032 55.300 -0.084 0.000 1.239 61 M CB -0.331 32.257 32.600 -0.020 0.000 1.229 61 M HN 0.067 nan 8.290 nan 0.000 0.547 62 Y N 1.126 121.330 120.300 -0.159 0.000 2.220 62 Y HA 0.117 4.666 4.550 -0.002 0.000 0.291 62 Y C 1.372 177.093 175.900 -0.298 0.000 1.129 62 Y CA 1.315 59.312 58.100 -0.171 0.000 1.161 62 Y CB 0.386 38.787 38.460 -0.098 0.000 0.997 62 Y HN -0.021 nan 8.280 nan 0.000 0.522 63 R N -0.963 119.311 120.500 -0.377 0.000 3.132 63 R HA 0.102 4.440 4.340 -0.002 0.000 0.257 63 R C 1.069 177.144 176.300 -0.374 0.000 1.203 63 R CA 0.124 55.859 56.100 -0.609 0.000 1.008 63 R CB 0.570 30.609 30.300 -0.434 0.000 1.378 63 R HN 0.124 nan 8.270 nan 0.000 0.448 64 E N 0.947 120.981 120.200 -0.277 0.000 2.385 64 E HA 0.016 4.365 4.350 -0.002 0.000 0.194 64 E C -0.610 175.957 176.600 -0.056 0.000 1.013 64 E CA 0.832 57.147 56.400 -0.141 0.000 0.866 64 E CB 0.333 30.019 29.700 -0.023 0.000 0.832 64 E HN 0.425 nan 8.360 nan 0.000 0.500 65 E N 1.146 121.327 120.200 -0.032 0.000 2.349 65 E HA 0.285 4.634 4.350 -0.002 0.000 0.262 65 E C -0.209 176.383 176.600 -0.014 0.000 1.088 65 E CA -0.025 56.370 56.400 -0.008 0.000 0.899 65 E CB 1.229 30.937 29.700 0.013 0.000 1.044 65 E HN 0.263 nan 8.360 nan 0.000 0.420 66 T N -2.152 112.393 114.554 -0.015 0.000 2.896 66 T HA 0.382 4.731 4.350 -0.002 0.000 0.297 66 T C 1.030 175.720 174.700 -0.016 0.000 1.108 66 T CA -0.779 61.312 62.100 -0.015 0.000 1.004 66 T CB 0.667 69.524 68.868 -0.018 0.000 1.159 66 T HN 0.390 nan 8.240 nan 0.000 0.499 67 I N 1.080 121.643 120.570 -0.012 0.000 2.208 67 I HA -0.141 4.028 4.170 -0.002 0.000 0.245 67 I C 3.036 179.138 176.117 -0.025 0.000 1.097 67 I CA 1.800 63.092 61.300 -0.015 0.000 1.363 67 I CB -0.766 37.229 38.000 -0.008 0.000 1.051 67 I HN 0.893 nan 8.210 nan 0.000 0.413 68 A N 1.036 123.841 122.820 -0.024 0.000 1.908 68 A HA -0.144 4.175 4.320 -0.002 0.000 0.218 68 A C 2.445 180.002 177.584 -0.046 0.000 1.181 68 A CA 2.035 54.054 52.037 -0.030 0.000 0.627 68 A CB -1.430 17.555 19.000 -0.025 0.000 0.818 68 A HN 0.470 nan 8.150 nan 0.000 0.445 69 G N -0.665 108.107 108.800 -0.046 0.000 2.404 69 G HA2 0.028 3.987 3.960 -0.002 0.000 0.215 69 G HA3 0.028 3.987 3.960 -0.002 0.000 0.215 69 G C 1.779 176.622 174.900 -0.094 0.000 1.174 69 G CA 1.487 46.549 45.100 -0.064 0.000 0.780 69 G HN 0.804 nan 8.290 nan 0.000 0.537 70 A N 0.562 123.338 122.820 -0.073 0.000 1.877 70 A HA 0.097 4.416 4.320 -0.002 0.000 0.216 70 A C 2.438 179.954 177.584 -0.113 0.000 1.186 70 A CA 1.309 53.295 52.037 -0.086 0.000 0.620 70 A CB -0.415 18.563 19.000 -0.037 0.000 0.822 70 A HN 0.347 nan 8.150 nan 0.000 0.443 71 L N -0.782 120.393 121.223 -0.080 0.000 2.156 71 L HA -0.147 4.192 4.340 -0.002 0.000 0.208 71 L C 2.332 179.138 176.870 -0.106 0.000 1.095 71 L CA 1.660 56.456 54.840 -0.074 0.000 0.770 71 L CB -0.626 41.410 42.059 -0.037 0.000 0.914 71 L HN 0.511 nan 8.230 nan 0.000 0.439 72 D N 0.392 120.724 120.400 -0.112 0.000 2.117 72 D HA -0.225 4.414 4.640 -0.002 0.000 0.197 72 D C 2.122 178.293 176.300 -0.214 0.000 0.987 72 D CA 0.858 54.781 54.000 -0.128 0.000 0.829 72 D CB 0.145 40.883 40.800 -0.104 0.000 0.961 72 D HN 0.070 nan 8.370 nan 0.000 0.460 73 L N 0.244 121.290 121.223 -0.295 0.000 2.046 73 L HA -0.034 4.305 4.340 -0.002 0.000 0.208 73 L C 2.115 178.604 176.870 -0.635 0.000 1.077 73 L CA 1.428 55.947 54.840 -0.536 0.000 0.747 73 L CB -0.599 41.076 42.059 -0.639 0.000 0.896 73 L HN 0.217 nan 8.230 nan 0.000 0.432 74 L N -0.383 120.597 121.223 -0.404 0.000 1.970 74 L HA -0.248 4.091 4.340 -0.002 0.000 0.212 74 L C 2.819 179.550 176.870 -0.233 0.000 1.071 74 L CA 2.125 56.830 54.840 -0.225 0.000 0.751 74 L CB -0.731 41.269 42.059 -0.098 0.000 0.889 74 L HN 0.394 nan 8.230 nan 0.000 0.432 75 R N 0.072 120.425 120.500 -0.245 0.000 2.115 75 R HA -0.025 4.313 4.340 -0.002 0.000 0.226 75 R C 2.001 178.166 176.300 -0.225 0.000 1.100 75 R CA 1.296 57.200 56.100 -0.326 0.000 0.980 75 R CB -0.666 29.514 30.300 -0.200 0.000 0.875 75 R HN 0.266 nan 8.270 nan 0.000 0.445 76 G N -0.777 107.909 108.800 -0.189 0.000 2.838 76 G HA2 0.029 3.988 3.960 -0.002 0.000 0.210 76 G HA3 0.029 3.988 3.960 -0.002 0.000 0.210 76 G C 0.677 175.482 174.900 -0.158 0.000 1.153 76 G CA 0.641 45.654 45.100 -0.145 0.000 0.778 76 G HN 0.364 nan 8.290 nan 0.000 0.539 77 T N -0.540 113.875 114.554 -0.231 0.000 3.449 77 T HA 0.181 4.530 4.350 -0.002 0.000 0.268 77 T C 1.629 176.331 174.700 0.002 0.000 0.996 77 T CA -0.214 61.756 62.100 -0.216 0.000 1.125 77 T CB -0.042 68.506 68.868 -0.533 0.000 1.172 77 T HN -0.021 nan 8.240 nan 0.000 0.430 78 F N 2.158 122.004 119.950 -0.172 0.000 2.128 78 F HA 0.271 4.796 4.527 -0.002 0.000 0.295 78 F C 2.185 177.943 175.800 -0.069 0.000 1.100 78 F CA 0.259 58.193 58.000 -0.110 0.000 1.260 78 F CB -1.280 37.656 39.000 -0.107 0.000 1.009 78 F HN 0.069 nan 8.300 nan 0.000 0.476 79 L N -0.296 120.985 121.223 0.097 0.000 2.046 79 L HA -0.144 4.195 4.340 -0.002 0.000 0.208 79 L C -0.334 176.560 176.870 0.041 0.000 1.077 79 L CA 1.291 56.148 54.840 0.027 0.000 0.747 79 L CB -2.104 39.898 42.059 -0.096 0.000 0.896 79 L HN 0.047 nan 8.230 nan 0.000 0.432 80 P HA -0.175 nan 4.420 nan 0.000 0.218 80 P C 1.371 178.719 177.300 0.080 0.000 1.148 80 P CA 1.656 64.783 63.100 0.045 0.000 0.822 80 P CB 0.008 31.723 31.700 0.026 0.000 0.784 81 A N -0.585 122.299 122.820 0.107 0.000 2.014 81 A HA -0.101 4.218 4.320 -0.002 0.000 0.218 81 A C 2.001 179.682 177.584 0.162 0.000 1.163 81 A CA 1.465 53.582 52.037 0.134 0.000 0.652 81 A CB -1.234 17.866 19.000 0.167 0.000 0.808 81 A HN 0.370 nan 8.150 nan 0.000 0.449 82 I N -4.391 116.281 120.570 0.170 0.000 4.139 82 I HA 0.337 4.506 4.170 -0.002 0.000 0.320 82 I C 0.140 176.403 176.117 0.243 0.000 1.290 82 I CA -0.325 61.145 61.300 0.283 0.000 1.253 82 I CB -0.020 38.076 38.000 0.160 0.000 1.122 82 I HN -0.068 nan 8.210 nan 0.000 0.421 83 L N 3.516 124.831 121.223 0.152 0.000 2.499 83 L HA 0.288 4.627 4.340 -0.002 0.000 0.273 83 L C 1.393 178.318 176.870 0.093 0.000 1.195 83 L CA 1.219 56.137 54.840 0.130 0.000 0.882 83 L CB 0.505 42.631 42.059 0.111 0.000 1.133 83 L HN 0.620 nan 8.230 nan 0.000 0.483 84 G N 1.435 110.282 108.800 0.079 0.000 2.225 84 G HA2 -0.202 3.757 3.960 -0.002 0.000 0.254 84 G HA3 -0.202 3.757 3.960 -0.002 0.000 0.254 84 G C 0.285 175.163 174.900 -0.038 0.000 0.988 84 G CA -0.396 44.720 45.100 0.027 0.000 0.625 84 G HN 0.505 nan 8.290 nan 0.000 0.527 85 Q N 0.460 120.223 119.800 -0.061 0.000 2.221 85 Q HA 0.657 4.996 4.340 -0.002 0.000 0.242 85 Q C -0.275 175.414 176.000 -0.518 0.000 0.940 85 Q CA 0.060 55.666 55.803 -0.328 0.000 0.896 85 Q CB 1.377 29.836 28.738 -0.465 0.000 1.226 85 Q HN 0.204 nan 8.270 nan 0.000 0.463 86 T N 1.670 115.760 114.554 -0.773 0.000 2.807 86 T HA 0.685 5.034 4.350 -0.002 0.000 0.279 86 T C -0.874 173.210 174.700 -1.027 0.000 0.993 86 T CA -0.289 61.423 62.100 -0.646 0.000 0.970 86 T CB 0.288 68.947 68.868 -0.348 0.000 0.950 86 T HN 0.249 nan 8.240 nan 0.000 0.441 87 F N 0.312 119.874 119.950 -0.646 0.000 2.576 87 F HA 0.606 5.132 4.527 -0.002 0.000 0.313 87 F C 1.044 176.366 175.800 -0.797 0.000 1.078 87 F CA -1.227 56.321 58.000 -0.754 0.000 0.921 87 F CB 1.563 39.986 39.000 -0.963 0.000 1.232 87 F HN 0.633 nan 8.300 nan 0.000 0.459 88 A N 1.627 124.247 122.820 -0.332 0.000 1.930 88 A HA 0.131 4.450 4.320 -0.002 0.000 0.215 88 A C 0.215 177.455 177.584 -0.572 0.000 1.176 88 A CA 1.483 53.326 52.037 -0.323 0.000 0.632 88 A CB -0.578 18.295 19.000 -0.213 0.000 0.819 88 A HN 0.837 nan 8.150 nan 0.000 0.445 89 N N -4.269 114.104 118.700 -0.545 0.000 3.116 89 N HA 0.332 5.071 4.740 -0.002 0.000 0.244 89 N C -3.083 172.096 175.510 -0.552 0.000 1.485 89 N CA -1.514 51.018 53.050 -0.864 0.000 0.884 89 N CB 0.247 38.235 38.487 -0.832 0.000 1.415 89 N HN -0.287 nan 8.380 nan 0.000 0.524 90 P HA -0.052 nan 4.420 nan 0.000 0.218 90 P C 0.468 177.499 177.300 -0.449 0.000 1.149 90 P CA 1.374 64.059 63.100 -0.691 0.000 0.817 90 P CB 0.258 31.061 31.700 -1.494 0.000 0.785 91 E N -0.145 119.833 120.200 -0.371 0.000 2.085 91 E HA -0.159 4.190 4.350 -0.002 0.000 0.194 91 E C 2.139 178.638 176.600 -0.169 0.000 0.994 91 E CA 1.576 57.876 56.400 -0.167 0.000 0.801 91 E CB -1.069 28.581 29.700 -0.083 0.000 0.743 91 E HN 0.157 nan 8.360 nan 0.000 0.453 92 A N 0.428 123.128 122.820 -0.200 0.000 1.933 92 A HA -0.144 4.175 4.320 -0.002 0.000 0.218 92 A C 2.442 179.908 177.584 -0.197 0.000 1.175 92 A CA 1.272 53.243 52.037 -0.109 0.000 0.628 92 A CB -0.616 18.367 19.000 -0.030 0.000 0.814 92 A HN 0.148 nan 8.150 nan 0.000 0.444 93 V N -0.541 119.065 119.914 -0.513 0.000 2.261 93 V HA -0.221 3.898 4.120 -0.002 0.000 0.246 93 V C 2.801 178.640 176.094 -0.425 0.000 1.047 93 V CA 2.316 64.107 62.300 -0.848 0.000 1.015 93 V CB -0.916 30.435 31.823 -0.786 0.000 0.642 93 V HN 0.658 nan 8.190 nan 0.000 0.446 94 S N -0.054 115.473 115.700 -0.289 0.000 2.370 94 S HA -0.316 4.152 4.470 -0.002 0.000 0.226 94 S C 1.881 176.390 174.600 -0.152 0.000 1.033 94 S CA 2.300 60.381 58.200 -0.198 0.000 1.011 94 S CB -0.545 62.587 63.200 -0.113 0.000 0.852 94 S HN 0.770 nan 8.310 nan 0.000 0.457 95 D N 0.523 120.856 120.400 -0.112 0.000 2.178 95 D HA 0.005 4.644 4.640 -0.002 0.000 0.201 95 D C 1.729 178.006 176.300 -0.039 0.000 0.980 95 D CA 1.186 55.150 54.000 -0.060 0.000 0.842 95 D CB -0.372 40.405 40.800 -0.039 0.000 0.948 95 D HN 0.459 nan 8.370 nan 0.000 0.472 96 A N -0.449 122.350 122.820 -0.036 0.000 2.239 96 A HA 0.097 4.416 4.320 -0.002 0.000 0.209 96 A C 1.486 179.080 177.584 0.018 0.000 1.171 96 A CA 0.499 52.556 52.037 0.034 0.000 0.768 96 A CB -0.365 18.725 19.000 0.151 0.000 0.790 96 A HN 0.418 nan 8.150 nan 0.000 0.478 97 L N -2.026 119.164 121.223 -0.055 0.000 3.122 97 L HA 0.253 4.592 4.340 -0.002 0.000 0.274 97 L C 1.938 178.838 176.870 0.050 0.000 1.222 97 L CA 0.247 55.068 54.840 -0.032 0.000 1.028 97 L CB 0.224 42.013 42.059 -0.450 0.000 1.386 97 L HN 0.300 nan 8.230 nan 0.000 0.578 98 G N 0.466 109.264 108.800 -0.003 0.000 2.484 98 G HA2 -0.194 3.765 3.960 -0.002 0.000 0.218 98 G HA3 -0.194 3.765 3.960 -0.002 0.000 0.218 98 G C 1.572 176.446 174.900 -0.044 0.000 1.130 98 G CA 1.048 46.134 45.100 -0.023 0.000 0.784 98 G HN 0.472 nan 8.290 nan 0.000 0.543 99 S N -0.686 114.927 115.700 -0.144 0.000 2.489 99 S HA 0.147 4.616 4.470 -0.002 0.000 0.228 99 S C 0.580 174.996 174.600 -0.308 0.000 0.995 99 S CA -0.262 57.773 58.200 -0.275 0.000 0.934 99 S CB -0.271 62.702 63.200 -0.378 0.000 0.771 99 S HN 0.327 nan 8.310 nan 0.000 0.522 100 Y N 2.409 122.759 120.300 0.084 0.000 2.304 100 Y HA 0.451 5.000 4.550 -0.002 0.000 0.327 100 Y C 1.127 177.084 175.900 0.096 0.000 1.209 100 Y CA -0.817 57.354 58.100 0.118 0.000 1.299 100 Y CB 0.601 39.203 38.460 0.236 0.000 1.249 100 Y HN -0.062 nan 8.280 nan 0.000 0.519 101 R N 1.283 121.915 120.500 0.221 0.000 2.486 101 R HA 0.509 4.848 4.340 -0.002 0.000 0.286 101 R C 0.666 177.052 176.300 0.143 0.000 0.999 101 R CA -0.010 56.172 56.100 0.136 0.000 0.993 101 R CB 1.262 31.615 30.300 0.088 0.000 1.084 101 R HN 0.966 nan 8.270 nan 0.000 0.487 102 G N 2.177 111.045 108.800 0.112 0.000 2.566 102 G HA2 -0.410 3.549 3.960 -0.002 0.000 0.280 102 G HA3 -0.410 3.549 3.960 -0.002 0.000 0.280 102 G C -0.241 174.736 174.900 0.128 0.000 1.225 102 G CA 0.193 45.356 45.100 0.105 0.000 0.966 102 G HN 0.867 nan 8.290 nan 0.000 0.560 103 N N -0.348 118.419 118.700 0.111 0.000 2.714 103 N HA -0.199 4.540 4.740 -0.002 0.000 0.252 103 N C 1.489 177.082 175.510 0.138 0.000 1.014 103 N CA 1.329 54.450 53.050 0.119 0.000 0.735 103 N CB -0.401 38.165 38.487 0.131 0.000 0.924 103 N HN 0.711 nan 8.380 nan 0.000 0.540 104 R N 0.254 120.814 120.500 0.099 0.000 2.092 104 R HA 0.076 4.415 4.340 -0.002 0.000 0.231 104 R C 2.343 178.681 176.300 0.063 0.000 1.119 104 R CA 1.410 57.557 56.100 0.077 0.000 0.970 104 R CB -0.009 30.327 30.300 0.061 0.000 0.864 104 R HN 0.371 nan 8.270 nan 0.000 0.440 105 M N -0.299 119.337 119.600 0.060 0.000 2.175 105 M HA -0.074 4.405 4.480 -0.002 0.000 0.264 105 M C 2.460 178.789 176.300 0.049 0.000 1.063 105 M CA 1.511 56.834 55.300 0.038 0.000 1.119 105 M CB -0.214 32.407 32.600 0.035 0.000 1.377 105 M HN 0.210 nan 8.290 nan 0.000 0.415 106 A N 0.657 123.530 122.820 0.089 0.000 1.877 106 A HA -0.141 4.178 4.320 -0.002 0.000 0.216 106 A C 2.212 179.938 177.584 0.236 0.000 1.186 106 A CA 1.339 53.461 52.037 0.141 0.000 0.620 106 A CB -0.527 18.550 19.000 0.129 0.000 0.822 106 A HN 0.322 nan 8.150 nan 0.000 0.443 107 R N -0.309 120.338 120.500 0.245 0.000 2.096 107 R HA -0.167 4.172 4.340 -0.002 0.000 0.240 107 R C 2.419 178.711 176.300 -0.012 0.000 1.139 107 R CA 1.540 57.663 56.100 0.039 0.000 0.952 107 R CB -1.232 29.055 30.300 -0.021 0.000 0.854 107 R HN 0.545 nan 8.270 nan 0.000 0.436 108 A N 1.067 123.890 122.820 0.004 0.000 1.940 108 A HA -0.163 4.156 4.320 -0.002 0.000 0.219 108 A C 2.334 179.889 177.584 -0.048 0.000 1.176 108 A CA 1.584 53.599 52.037 -0.036 0.000 0.631 108 A CB -0.447 18.515 19.000 -0.062 0.000 0.814 108 A HN 0.226 nan 8.150 nan 0.000 0.446 109 M N -0.736 118.852 119.600 -0.020 0.000 2.080 109 M HA -0.167 4.312 4.480 -0.002 0.000 0.260 109 M C 2.109 178.403 176.300 -0.010 0.000 1.068 109 M CA 1.720 57.006 55.300 -0.024 0.000 1.109 109 M CB -0.556 32.049 32.600 0.008 0.000 1.342 109 M HN 0.285 nan 8.290 nan 0.000 0.405 110 V N -0.102 119.815 119.914 0.006 0.000 2.270 110 V HA -0.221 3.898 4.120 -0.002 0.000 0.245 110 V C 2.421 178.497 176.094 -0.032 0.000 1.043 110 V CA 1.885 64.174 62.300 -0.019 0.000 1.014 110 V CB -0.861 30.922 31.823 -0.067 0.000 0.645 110 V HN 0.483 nan 8.190 nan 0.000 0.447 111 E N 0.121 120.302 120.200 -0.032 0.000 2.077 111 E HA -0.220 4.129 4.350 -0.002 0.000 0.193 111 E C 2.181 178.897 176.600 0.193 0.000 0.989 111 E CA 1.767 58.184 56.400 0.027 0.000 0.800 111 E CB -0.131 29.596 29.700 0.046 0.000 0.746 111 E HN 0.584 nan 8.360 nan 0.000 0.452 112 M N -0.116 119.568 119.600 0.140 0.000 2.156 112 M HA -0.067 4.412 4.480 -0.002 0.000 0.264 112 M C 2.466 178.926 176.300 0.267 0.000 1.067 112 M CA 1.310 56.738 55.300 0.212 0.000 1.131 112 M CB -0.215 32.250 32.600 -0.225 0.000 1.368 112 M HN 0.088 nan 8.290 nan 0.000 0.416 113 A N 0.735 123.623 122.820 0.112 0.000 1.908 113 A HA -0.117 4.202 4.320 -0.002 0.000 0.218 113 A C 2.392 180.033 177.584 0.094 0.000 1.181 113 A CA 2.050 54.152 52.037 0.107 0.000 0.627 113 A CB -0.983 18.039 19.000 0.036 0.000 0.818 113 A HN 0.496 nan 8.150 nan 0.000 0.445 114 A N -1.558 121.299 122.820 0.062 0.000 1.902 114 A HA -0.176 4.143 4.320 -0.002 0.000 0.217 114 A C 1.984 179.549 177.584 -0.033 0.000 1.181 114 A CA 1.410 53.435 52.037 -0.020 0.000 0.623 114 A CB -0.904 18.038 19.000 -0.096 0.000 0.818 114 A HN 0.750 nan 8.150 nan 0.000 0.443 115 W N -0.115 121.241 121.300 0.093 0.000 2.358 115 W HA -0.150 4.509 4.660 -0.001 0.000 0.303 115 W C 2.077 178.629 176.519 0.055 0.000 1.208 115 W CA 1.406 58.830 57.345 0.131 0.000 1.274 115 W CB -0.187 29.376 29.460 0.172 0.000 1.138 115 W HN 0.457 nan 8.180 nan 0.000 0.515 116 D N -0.076 120.489 120.400 0.275 0.000 2.117 116 D HA -0.188 4.451 4.640 -0.002 0.000 0.197 116 D C 2.019 178.310 176.300 -0.015 0.000 0.987 116 D CA 1.286 55.334 54.000 0.080 0.000 0.829 116 D CB -0.400 40.458 40.800 0.097 0.000 0.961 116 D HN 0.013 nan 8.370 nan 0.000 0.460 117 L N 0.380 121.580 121.223 -0.038 0.000 2.027 117 L HA -0.043 4.296 4.340 -0.002 0.000 0.206 117 L C 2.200 178.940 176.870 -0.217 0.000 1.074 117 L CA 1.747 56.509 54.840 -0.130 0.000 0.745 117 L CB -0.977 40.993 42.059 -0.147 0.000 0.898 117 L HN 0.370 nan 8.230 nan 0.000 0.433 118 W N 0.495 121.451 121.300 -0.574 0.000 2.317 118 W HA -0.327 4.332 4.660 -0.002 0.000 0.318 118 W C 2.145 178.504 176.519 -0.268 0.000 1.227 118 W CA 1.841 58.807 57.345 -0.631 0.000 1.269 118 W CB -0.295 28.787 29.460 -0.630 0.000 1.155 118 W HN 0.348 nan 8.180 nan 0.000 0.484 119 A N 1.205 123.868 122.820 -0.263 0.000 1.940 119 A HA -0.236 4.083 4.320 -0.002 0.000 0.219 119 A C 1.988 179.394 177.584 -0.296 0.000 1.176 119 A CA 2.018 53.850 52.037 -0.341 0.000 0.631 119 A CB -0.906 18.018 19.000 -0.126 0.000 0.814 119 A HN 0.471 nan 8.150 nan 0.000 0.446 120 R N -0.736 119.639 120.500 -0.208 0.000 2.115 120 R HA -0.067 4.272 4.340 -0.002 0.000 0.226 120 R C 2.417 178.622 176.300 -0.158 0.000 1.100 120 R CA 1.573 57.578 56.100 -0.158 0.000 0.980 120 R CB -0.599 29.636 30.300 -0.108 0.000 0.875 120 R HN 0.770 nan 8.270 nan 0.000 0.445 121 T N -0.760 113.680 114.554 -0.189 0.000 2.881 121 T HA -0.069 4.280 4.350 -0.002 0.000 0.270 121 T C 1.768 176.347 174.700 -0.202 0.000 1.068 121 T CA 0.986 63.002 62.100 -0.140 0.000 1.131 121 T CB -0.117 68.717 68.868 -0.057 0.000 0.871 121 T HN 0.156 nan 8.240 nan 0.000 0.479 122 L N 0.277 121.291 121.223 -0.348 0.000 2.477 122 L HA 0.362 4.701 4.340 -0.002 0.000 0.220 122 L C 2.092 178.836 176.870 -0.209 0.000 1.106 122 L CA 0.387 55.027 54.840 -0.334 0.000 0.851 122 L CB -0.667 41.071 42.059 -0.535 0.000 0.994 122 L HN 0.565 nan 8.230 nan 0.000 0.462 123 G N 1.187 109.879 108.800 -0.180 0.000 2.198 123 G HA2 -0.238 3.721 3.960 -0.002 0.000 0.260 123 G HA3 -0.238 3.721 3.960 -0.002 0.000 0.260 123 G C -0.029 174.799 174.900 -0.119 0.000 1.025 123 G CA 0.231 45.257 45.100 -0.125 0.000 0.769 123 G HN 0.150 nan 8.290 nan 0.000 0.507 124 V N 0.451 120.273 119.914 -0.154 0.000 2.459 124 V HA 0.492 4.611 4.120 -0.002 0.000 0.295 124 V C -1.680 174.351 176.094 -0.106 0.000 1.029 124 V CA -2.054 60.174 62.300 -0.120 0.000 0.874 124 V CB 2.008 33.746 31.823 -0.143 0.000 0.985 124 V HN 0.073 nan 8.190 nan 0.000 0.438 125 P HA -0.024 nan 4.420 nan 0.000 0.264 125 P C 0.683 177.943 177.300 -0.066 0.000 1.179 125 P CA 0.001 63.084 63.100 -0.029 0.000 0.763 125 P CB 0.587 32.331 31.700 0.074 0.000 0.806 126 L N 5.280 126.378 121.223 -0.209 0.000 2.012 126 L HA -0.209 4.130 4.340 -0.002 0.000 0.210 126 L C 2.141 178.954 176.870 -0.096 0.000 1.073 126 L CA 1.995 56.701 54.840 -0.223 0.000 0.748 126 L CB -1.462 40.291 42.059 -0.511 0.000 0.891 126 L HN 0.572 nan 8.230 nan 0.000 0.431 127 C N -2.790 116.603 119.300 0.155 0.000 2.403 127 C HA -0.167 4.292 4.460 -0.002 0.000 0.279 127 C C 2.475 177.449 174.990 -0.027 0.000 1.269 127 C CA 1.127 60.160 59.018 0.025 0.000 1.774 127 C CB -2.194 25.540 27.740 -0.010 0.000 1.993 127 C HN 0.611 nan 8.230 nan 0.000 0.496 128 T N 1.854 116.413 114.554 0.008 0.000 2.777 128 T HA -0.010 4.339 4.350 -0.002 0.000 0.266 128 T C 1.751 176.465 174.700 0.022 0.000 1.040 128 T CA 1.638 63.748 62.100 0.016 0.000 1.141 128 T CB -0.326 68.550 68.868 0.013 0.000 0.868 128 T HN 0.588 nan 8.240 nan 0.000 0.444 129 L N 0.468 121.706 121.223 0.025 0.000 2.275 129 L HA 0.077 4.416 4.340 -0.002 0.000 0.215 129 L C 2.057 178.969 176.870 0.069 0.000 1.119 129 L CA 0.804 55.710 54.840 0.110 0.000 0.790 129 L CB -0.419 41.788 42.059 0.246 0.000 0.919 129 L HN 0.259 nan 8.230 nan 0.000 0.443 130 L N -0.846 120.322 121.223 -0.091 0.000 2.509 130 L HA 0.149 4.488 4.340 -0.002 0.000 0.222 130 L C 1.470 178.294 176.870 -0.077 0.000 1.123 130 L CA 0.671 55.404 54.840 -0.177 0.000 0.856 130 L CB -0.177 41.682 42.059 -0.333 0.000 0.985 130 L HN 0.457 nan 8.230 nan 0.000 0.456 131 G N -0.376 108.414 108.800 -0.017 0.000 2.184 131 G HA2 -0.186 3.773 3.960 -0.002 0.000 0.206 131 G HA3 -0.186 3.773 3.960 -0.002 0.000 0.206 131 G C 0.497 175.423 174.900 0.042 0.000 0.995 131 G CA -0.352 44.768 45.100 0.034 0.000 0.651 131 G HN 0.466 nan 8.290 nan 0.000 0.511 132 G N -0.197 108.588 108.800 -0.025 0.000 2.467 132 G HA2 0.609 4.568 3.960 -0.002 0.000 0.257 132 G HA3 0.609 4.568 3.960 -0.002 0.000 0.257 132 G C -0.012 174.885 174.900 -0.005 0.000 1.227 132 G CA 0.148 45.200 45.100 -0.080 0.000 0.835 132 G HN 1.334 nan 8.290 nan 0.000 0.556 133 H N -1.492 117.569 119.070 -0.016 0.000 2.779 133 H HA 0.436 4.991 4.556 -0.002 0.000 0.230 133 H C -0.143 175.175 175.328 -0.018 0.000 1.365 133 H CA -0.726 55.312 56.048 -0.016 0.000 1.086 133 H CB 0.109 29.870 29.762 -0.003 0.000 2.038 133 H HN 0.251 nan 8.280 nan 0.000 0.558 134 K N 0.637 120.965 120.400 -0.120 0.000 2.123 134 K HA 0.230 4.549 4.320 -0.002 0.000 0.259 134 K C 0.003 176.562 176.600 -0.068 0.000 0.960 134 K CA -0.633 55.601 56.287 -0.088 0.000 0.872 134 K CB 2.133 34.565 32.500 -0.114 0.000 1.079 134 K HN 0.404 nan 8.250 nan 0.000 0.440 135 E N 1.009 121.181 120.200 -0.046 0.000 2.400 135 E HA -0.021 4.328 4.350 -0.002 0.000 0.195 135 E C -0.235 176.324 176.600 -0.069 0.000 1.012 135 E CA 0.558 56.926 56.400 -0.054 0.000 0.875 135 E CB 0.593 30.276 29.700 -0.029 0.000 0.859 135 E HN 0.377 nan 8.360 nan 0.000 0.498 136 Q N 0.120 119.882 119.800 -0.063 0.000 2.418 136 Q HA 0.455 4.794 4.340 -0.002 0.000 0.282 136 Q C -1.151 174.816 176.000 -0.054 0.000 1.044 136 Q CA -0.849 54.919 55.803 -0.058 0.000 0.813 136 Q CB 2.999 31.715 28.738 -0.037 0.000 1.428 136 Q HN 0.001 nan 8.270 nan 0.000 0.402 137 V N -2.306 117.580 119.914 -0.048 0.000 2.864 137 V HA 0.563 4.682 4.120 -0.002 0.000 0.314 137 V C -0.489 175.610 176.094 0.008 0.000 1.073 137 V CA -0.894 61.391 62.300 -0.025 0.000 0.956 137 V CB 2.009 33.802 31.823 -0.050 0.000 1.023 137 V HN 0.727 nan 8.190 nan 0.000 0.435 138 E N 1.819 122.041 120.200 0.037 0.000 2.313 138 E HA 0.519 4.868 4.350 -0.002 0.000 0.276 138 E C -0.484 176.166 176.600 0.083 0.000 1.031 138 E CA -0.399 56.031 56.400 0.051 0.000 0.857 138 E CB 1.948 31.682 29.700 0.057 0.000 1.040 138 E HN 0.923 nan 8.360 nan 0.000 0.408 139 V N -0.191 119.778 119.914 0.091 0.000 2.680 139 V HA 0.883 5.002 4.120 -0.002 0.000 0.309 139 V C 0.104 176.330 176.094 0.221 0.000 1.052 139 V CA -0.617 61.775 62.300 0.154 0.000 0.908 139 V CB 1.708 33.634 31.823 0.172 0.000 1.001 139 V HN 0.658 nan 8.190 nan 0.000 0.431 140 G N 1.154 110.050 108.800 0.160 0.000 2.597 140 G HA2 0.704 4.663 3.960 -0.002 0.000 0.317 140 G HA3 0.704 4.663 3.960 -0.002 0.000 0.317 140 G C -1.160 173.632 174.900 -0.181 0.000 1.230 140 G CA -0.669 44.457 45.100 0.043 0.000 0.996 140 G HN 1.363 nan 8.290 nan 0.000 0.490 141 V N -0.689 118.929 119.914 -0.493 0.000 2.864 141 V HA 0.768 4.887 4.120 -0.002 0.000 0.314 141 V C -0.485 175.355 176.094 -0.423 0.000 1.073 141 V CA -0.635 61.208 62.300 -0.761 0.000 0.956 141 V CB 2.337 33.228 31.823 -1.554 0.000 1.023 141 V HN 0.754 nan 8.190 nan 0.000 0.435 142 S N 6.359 121.867 115.700 -0.321 0.000 2.498 142 S HA 0.744 5.212 4.470 -0.002 0.000 0.317 142 S C -1.015 173.497 174.600 -0.148 0.000 1.090 142 S CA -0.426 57.678 58.200 -0.160 0.000 1.089 142 S CB 1.205 64.380 63.200 -0.041 0.000 0.997 142 S HN 0.507 nan 8.310 nan 0.000 0.470 143 L N 2.731 123.902 121.223 -0.086 0.000 2.322 143 L HA 0.656 4.994 4.340 -0.002 0.000 0.281 143 L C 1.017 177.903 176.870 0.026 0.000 1.014 143 L CA -0.135 54.693 54.840 -0.020 0.000 0.815 143 L CB 1.013 43.082 42.059 0.017 0.000 1.247 143 L HN 0.773 nan 8.230 nan 0.000 0.421 144 G N 2.517 111.341 108.800 0.039 0.000 2.588 144 G HA2 0.448 4.407 3.960 -0.002 0.000 0.278 144 G HA3 0.448 4.407 3.960 -0.002 0.000 0.278 144 G C 0.041 174.999 174.900 0.096 0.000 1.307 144 G CA -0.748 44.388 45.100 0.061 0.000 1.016 144 G HN 0.514 nan 8.290 nan 0.000 0.503 145 I N 1.203 121.838 120.570 0.108 0.000 2.533 145 I HA 0.053 4.222 4.170 -0.002 0.000 0.284 145 I C 0.292 176.451 176.117 0.069 0.000 1.109 145 I CA -0.115 61.275 61.300 0.150 0.000 1.412 145 I CB 0.739 38.805 38.000 0.110 0.000 1.396 145 I HN 0.301 nan 8.210 nan 0.000 0.543 146 Q N 4.603 124.476 119.800 0.121 0.000 2.169 146 Q HA 0.407 4.746 4.340 -0.002 0.000 0.234 146 Q C 0.924 176.862 176.000 -0.104 0.000 0.980 146 Q CA -0.515 55.313 55.803 0.041 0.000 0.941 146 Q CB 1.079 29.882 28.738 0.109 0.000 1.199 146 Q HN 0.751 nan 8.270 nan 0.000 0.496 147 A N 0.494 123.249 122.820 -0.108 0.000 1.972 147 A HA -0.124 4.195 4.320 -0.002 0.000 0.219 147 A C 0.136 177.556 177.584 -0.273 0.000 1.169 147 A CA 2.235 54.153 52.037 -0.197 0.000 0.635 147 A CB -0.244 18.691 19.000 -0.107 0.000 0.810 147 A HN 0.810 nan 8.150 nan 0.000 0.446 148 D N -4.638 115.722 120.400 -0.067 0.000 2.779 148 D HA 0.251 4.890 4.640 -0.002 0.000 0.331 148 D C 0.187 176.718 176.300 0.385 0.000 1.331 148 D CA -0.328 53.733 54.000 0.102 0.000 0.866 148 D CB -0.137 40.695 40.800 0.054 0.000 1.409 148 D HN -0.025 nan 8.370 nan 0.000 0.486 149 E N -0.563 119.875 120.200 0.396 0.000 2.051 149 E HA -0.198 4.151 4.350 -0.002 0.000 0.192 149 E C 1.645 178.328 176.600 0.138 0.000 0.991 149 E CA 1.310 57.853 56.400 0.238 0.000 0.799 149 E CB -0.038 29.737 29.700 0.126 0.000 0.748 149 E HN 0.433 nan 8.360 nan 0.000 0.449 150 Q N 0.105 119.969 119.800 0.106 0.000 2.079 150 Q HA -0.116 4.223 4.340 -0.002 0.000 0.200 150 Q C 2.207 178.250 176.000 0.071 0.000 0.974 150 Q CA 1.216 57.060 55.803 0.069 0.000 0.840 150 Q CB -0.117 28.648 28.738 0.046 0.000 0.898 150 Q HN 0.218 nan 8.270 nan 0.000 0.430 151 A N 0.432 123.299 122.820 0.079 0.000 1.930 151 A HA -0.158 4.161 4.320 -0.002 0.000 0.217 151 A C 2.202 179.834 177.584 0.080 0.000 1.175 151 A CA 1.710 53.785 52.037 0.062 0.000 0.627 151 A CB -0.740 18.287 19.000 0.045 0.000 0.815 151 A HN 0.305 nan 8.150 nan 0.000 0.443 152 T N -0.228 114.402 114.554 0.127 0.000 2.652 152 T HA -0.142 4.207 4.350 -0.002 0.000 0.267 152 T C 1.869 176.623 174.700 0.090 0.000 1.039 152 T CA 1.721 63.895 62.100 0.124 0.000 1.153 152 T CB -0.509 68.455 68.868 0.161 0.000 0.863 152 T HN 0.150 nan 8.240 nan 0.000 0.428 153 V N 1.690 121.664 119.914 0.099 0.000 2.407 153 V HA -0.181 3.938 4.120 -0.002 0.000 0.248 153 V C 2.359 178.541 176.094 0.146 0.000 1.055 153 V CA 2.010 64.396 62.300 0.142 0.000 1.049 153 V CB -0.657 31.235 31.823 0.115 0.000 0.662 153 V HN 0.508 nan 8.190 nan 0.000 0.455 154 D N -0.349 120.101 120.400 0.083 0.000 2.097 154 D HA -0.186 4.453 4.640 -0.002 0.000 0.195 154 D C 1.955 178.258 176.300 0.005 0.000 0.989 154 D CA 1.146 55.176 54.000 0.051 0.000 0.827 154 D CB -0.093 40.722 40.800 0.024 0.000 0.966 154 D HN 0.259 nan 8.370 nan 0.000 0.456 155 L N -0.047 121.171 121.223 -0.009 0.000 2.056 155 L HA -0.076 4.263 4.340 -0.002 0.000 0.207 155 L C 2.268 179.076 176.870 -0.104 0.000 1.078 155 L CA 1.203 55.993 54.840 -0.083 0.000 0.749 155 L CB -0.549 41.496 42.059 -0.023 0.000 0.901 155 L HN 0.034 nan 8.230 nan 0.000 0.433 156 V N -0.218 119.684 119.914 -0.021 0.000 2.287 156 V HA -0.349 3.769 4.120 -0.002 0.000 0.248 156 V C 2.746 178.717 176.094 -0.205 0.000 1.053 156 V CA 2.194 64.433 62.300 -0.102 0.000 1.027 156 V CB -0.750 30.990 31.823 -0.139 0.000 0.646 156 V HN 0.487 nan 8.190 nan 0.000 0.447 157 R N -0.185 120.298 120.500 -0.029 0.000 2.103 157 R HA -0.235 4.104 4.340 -0.002 0.000 0.242 157 R C 2.581 178.875 176.300 -0.010 0.000 1.142 157 R CA 2.132 58.300 56.100 0.112 0.000 0.960 157 R CB -0.347 30.114 30.300 0.268 0.000 0.858 157 R HN 0.480 nan 8.270 nan 0.000 0.439 158 R N -0.569 119.877 120.500 -0.090 0.000 2.080 158 R HA -0.194 4.145 4.340 -0.002 0.000 0.236 158 R C 1.982 178.222 176.300 -0.101 0.000 1.137 158 R CA 1.995 58.006 56.100 -0.149 0.000 0.943 158 R CB -0.380 29.737 30.300 -0.304 0.000 0.846 158 R HN 0.431 nan 8.270 nan 0.000 0.431 159 H N -0.281 118.792 119.070 0.004 0.000 2.428 159 H HA -0.036 4.519 4.556 -0.002 0.000 0.296 159 H C 2.265 177.654 175.328 0.102 0.000 1.062 159 H CA 1.380 57.487 56.048 0.100 0.000 1.350 159 H CB -0.168 29.580 29.762 -0.022 0.000 1.403 159 H HN 0.080 nan 8.280 nan 0.000 0.533 160 V N 1.107 121.043 119.914 0.036 0.000 2.343 160 V HA -0.228 3.891 4.120 -0.002 0.000 0.247 160 V C 2.508 178.610 176.094 0.013 0.000 1.051 160 V CA 2.080 64.351 62.300 -0.048 0.000 1.036 160 V CB -0.326 31.326 31.823 -0.284 0.000 0.654 160 V HN 0.303 nan 8.190 nan 0.000 0.451 161 E N 0.152 120.366 120.200 0.024 0.000 2.204 161 E HA -0.214 4.135 4.350 -0.002 0.000 0.194 161 E C 2.154 178.760 176.600 0.010 0.000 0.989 161 E CA 1.168 57.584 56.400 0.025 0.000 0.824 161 E CB -0.212 29.504 29.700 0.027 0.000 0.756 161 E HN 0.664 nan 8.360 nan 0.000 0.477 162 Q N -1.229 118.590 119.800 0.031 0.000 2.436 162 Q HA 0.090 4.429 4.340 -0.002 0.000 0.209 162 Q C 0.932 176.844 176.000 -0.147 0.000 0.965 162 Q CA 0.633 56.420 55.803 -0.026 0.000 0.910 162 Q CB 0.341 29.113 28.738 0.055 0.000 0.980 162 Q HN 0.428 nan 8.270 nan 0.000 0.491 163 G N -0.298 108.449 108.800 -0.088 0.000 2.141 163 G HA2 -0.280 3.679 3.960 -0.002 0.000 0.231 163 G HA3 -0.280 3.679 3.960 -0.002 0.000 0.231 163 G C -0.375 174.436 174.900 -0.149 0.000 0.984 163 G CA -0.507 44.524 45.100 -0.115 0.000 0.660 163 G HN 0.301 nan 8.290 nan 0.000 0.525 164 Y N 0.286 120.571 120.300 -0.024 0.000 2.578 164 Y HA 0.295 4.844 4.550 -0.002 0.000 0.339 164 Y C 1.967 177.834 175.900 -0.055 0.000 1.231 164 Y CA 0.077 58.151 58.100 -0.044 0.000 1.461 164 Y CB 0.542 38.961 38.460 -0.068 0.000 1.323 164 Y HN 0.026 nan 8.280 nan 0.000 0.590 165 R N 1.820 122.393 120.500 0.122 0.000 2.334 165 R HA 0.152 4.491 4.340 -0.002 0.000 0.216 165 R C 0.148 176.449 176.300 0.001 0.000 0.905 165 R CA 0.181 56.305 56.100 0.040 0.000 1.064 165 R CB 0.107 30.427 30.300 0.032 0.000 1.046 165 R HN 0.508 nan 8.270 nan 0.000 0.508 166 R N 0.990 121.483 120.500 -0.011 0.000 2.561 166 R HA 0.243 4.582 4.340 -0.002 0.000 0.266 166 R C -1.582 174.631 176.300 -0.145 0.000 1.091 166 R CA -0.520 55.516 56.100 -0.107 0.000 0.927 166 R CB 1.345 31.545 30.300 -0.166 0.000 1.240 166 R HN -0.159 nan 8.270 nan 0.000 0.449 167 I N 3.846 124.309 120.570 -0.179 0.000 2.336 167 I HA 0.372 4.541 4.170 -0.002 0.000 0.292 167 I C 0.277 176.265 176.117 -0.215 0.000 0.991 167 I CA -0.499 60.682 61.300 -0.199 0.000 1.227 167 I CB 1.310 39.203 38.000 -0.179 0.000 1.366 167 I HN 0.449 nan 8.210 nan 0.000 0.466 168 K N 7.628 127.906 120.400 -0.203 0.000 2.265 168 K HA 0.591 4.910 4.320 -0.002 0.000 0.267 168 K C -1.411 175.132 176.600 -0.095 0.000 0.994 168 K CA -0.566 55.626 56.287 -0.159 0.000 0.860 168 K CB 1.258 33.684 32.500 -0.124 0.000 1.099 168 K HN 0.537 nan 8.250 nan 0.000 0.448 169 L N 3.882 125.063 121.223 -0.069 0.000 2.282 169 L HA 0.350 4.689 4.340 -0.002 0.000 0.288 169 L C -0.069 176.819 176.870 0.030 0.000 1.033 169 L CA -1.113 53.715 54.840 -0.020 0.000 0.807 169 L CB 1.301 43.336 42.059 -0.040 0.000 1.209 169 L HN 0.510 nan 8.230 nan 0.000 0.423 170 K N 4.817 125.258 120.400 0.070 0.000 2.412 170 K HA 0.403 4.722 4.320 -0.002 0.000 0.281 170 K C -0.586 176.102 176.600 0.146 0.000 1.027 170 K CA 0.140 56.496 56.287 0.115 0.000 0.989 170 K CB 0.378 32.950 32.500 0.119 0.000 0.935 170 K HN 0.566 nan 8.250 nan 0.000 0.475 171 I N -0.358 120.313 120.570 0.169 0.000 3.108 171 I HA 0.690 4.859 4.170 -0.002 0.000 0.312 171 I C -1.248 175.029 176.117 0.267 0.000 1.095 171 I CA -1.220 60.205 61.300 0.209 0.000 1.000 171 I CB 2.373 40.459 38.000 0.143 0.000 1.229 171 I HN 0.703 nan 8.210 nan 0.000 0.454 172 K N 1.155 121.727 120.400 0.285 0.000 2.575 172 K HA 0.630 4.949 4.320 -0.002 0.000 0.279 172 K C -3.231 173.429 176.600 0.100 0.000 0.969 172 K CA -1.753 54.615 56.287 0.136 0.000 0.868 172 K CB 1.460 34.020 32.500 0.101 0.000 1.457 172 K HN 0.236 nan 8.250 nan 0.000 0.426 173 P HA -0.005 nan 4.420 nan 0.000 0.262 173 P C 0.591 177.944 177.300 0.088 0.000 1.182 173 P CA 1.728 64.784 63.100 -0.074 0.000 0.761 173 P CB 0.530 32.099 31.700 -0.217 0.000 0.795 174 G N 1.513 110.409 108.800 0.160 0.000 2.217 174 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.246 174 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.246 174 G C -0.342 174.767 174.900 0.347 0.000 0.990 174 G CA -0.216 44.999 45.100 0.192 0.000 0.627 174 G HN 0.609 nan 8.290 nan 0.000 0.522 175 W N 1.659 122.997 121.300 0.063 0.000 2.183 175 W HA 0.448 5.107 4.660 -0.001 0.000 0.289 175 W C -0.168 176.400 176.519 0.082 0.000 1.029 175 W CA 0.301 57.679 57.345 0.055 0.000 1.264 175 W CB 0.570 30.051 29.460 0.035 0.000 1.232 175 W HN 0.312 nan 8.180 nan 0.000 0.311 176 D N -0.469 119.805 120.400 -0.211 0.000 2.757 176 D HA -0.019 4.620 4.640 -0.002 0.000 0.142 176 D C 1.492 177.633 176.300 -0.266 0.000 1.491 176 D CA 0.281 54.183 54.000 -0.163 0.000 1.531 176 D CB 0.230 41.066 40.800 0.061 0.000 1.709 176 D HN -0.087 nan 8.370 nan 0.000 0.246 177 V N 0.967 120.779 119.914 -0.170 0.000 2.392 177 V HA -0.269 3.850 4.120 -0.002 0.000 0.249 177 V C 2.336 178.234 176.094 -0.327 0.000 1.059 177 V CA 2.352 64.552 62.300 -0.167 0.000 1.051 177 V CB -0.919 30.884 31.823 -0.034 0.000 0.658 177 V HN 0.161 nan 8.190 nan 0.000 0.455 178 Q N 0.319 119.863 119.800 -0.426 0.000 2.016 178 Q HA -0.105 4.234 4.340 -0.002 0.000 0.200 178 Q C 0.122 175.759 176.000 -0.605 0.000 0.978 178 Q CA 2.115 57.622 55.803 -0.493 0.000 0.833 178 Q CB -1.696 26.740 28.738 -0.502 0.000 0.895 178 Q HN 0.551 nan 8.270 nan 0.000 0.427 179 P HA -0.103 nan 4.420 nan 0.000 0.217 179 P C 1.225 178.304 177.300 -0.367 0.000 1.151 179 P CA 1.105 63.860 63.100 -0.575 0.000 0.828 179 P CB 0.081 31.383 31.700 -0.663 0.000 0.788 180 V N 1.139 120.811 119.914 -0.402 0.000 2.270 180 V HA -0.205 3.913 4.120 -0.002 0.000 0.245 180 V C 3.081 178.834 176.094 -0.569 0.000 1.043 180 V CA 2.035 64.114 62.300 -0.369 0.000 1.014 180 V CB -1.175 30.468 31.823 -0.300 0.000 0.645 180 V HN 0.073 nan 8.190 nan 0.000 0.447 181 R N 0.545 120.554 120.500 -0.819 0.000 2.097 181 R HA -0.234 4.105 4.340 -0.002 0.000 0.236 181 R C 2.291 178.328 176.300 -0.437 0.000 1.135 181 R CA 2.166 57.673 56.100 -0.989 0.000 0.934 181 R CB -0.631 29.282 30.300 -0.644 0.000 0.846 181 R HN 0.450 nan 8.270 nan 0.000 0.431 182 A N 0.066 122.714 122.820 -0.288 0.000 1.908 182 A HA -0.163 4.156 4.320 -0.002 0.000 0.218 182 A C 2.265 179.798 177.584 -0.086 0.000 1.181 182 A CA 2.176 54.127 52.037 -0.144 0.000 0.627 182 A CB -1.053 17.890 19.000 -0.096 0.000 0.818 182 A HN 0.561 nan 8.150 nan 0.000 0.445 183 T N -0.707 113.795 114.554 -0.086 0.000 2.708 183 T HA -0.149 4.200 4.350 -0.002 0.000 0.266 183 T C 2.120 176.872 174.700 0.086 0.000 1.037 183 T CA 1.784 63.910 62.100 0.044 0.000 1.146 183 T CB -0.225 68.642 68.868 -0.001 0.000 0.865 183 T HN 0.496 nan 8.240 nan 0.000 0.435 184 R N 1.431 121.913 120.500 -0.031 0.000 2.115 184 R HA 0.009 4.348 4.340 -0.002 0.000 0.230 184 R C 2.120 178.441 176.300 0.035 0.000 1.111 184 R CA 1.402 57.522 56.100 0.034 0.000 0.976 184 R CB -0.408 29.928 30.300 0.060 0.000 0.870 184 R HN 0.497 nan 8.270 nan 0.000 0.445 185 E N -0.623 119.565 120.200 -0.020 0.000 2.106 185 E HA -0.116 4.233 4.350 -0.002 0.000 0.192 185 E C 1.741 178.283 176.600 -0.096 0.000 0.984 185 E CA 1.224 57.606 56.400 -0.031 0.000 0.806 185 E CB -0.101 29.577 29.700 -0.037 0.000 0.750 185 E HN 0.467 nan 8.360 nan 0.000 0.458 186 A N 0.373 123.105 122.820 -0.148 0.000 2.016 186 A HA 0.002 4.321 4.320 -0.002 0.000 0.217 186 A C 0.643 177.787 177.584 -0.732 0.000 1.162 186 A CA 0.601 52.383 52.037 -0.424 0.000 0.662 186 A CB 0.090 18.818 19.000 -0.452 0.000 0.812 186 A HN 0.135 nan 8.150 nan 0.000 0.450 187 F N -1.111 118.829 119.950 -0.018 0.000 2.660 187 F HA 0.354 4.881 4.527 0.001 0.000 0.352 187 F C -2.099 173.696 175.800 -0.008 0.000 1.257 187 F CA -1.815 56.177 58.000 -0.012 0.000 1.200 187 F CB 1.549 40.540 39.000 -0.016 0.000 1.473 187 F HN 0.002 nan 8.300 nan 0.000 0.561 188 P HA -0.124 nan 4.420 nan 0.000 0.219 188 P C 0.540 177.883 177.300 0.071 0.000 1.146 188 P CA 1.502 64.641 63.100 0.065 0.000 0.808 188 P CB 0.331 32.048 31.700 0.029 0.000 0.779 189 D N -1.568 118.884 120.400 0.087 0.000 2.474 189 D HA 0.113 4.752 4.640 -0.002 0.000 0.213 189 D C 1.109 177.440 176.300 0.052 0.000 1.120 189 D CA -0.088 53.948 54.000 0.060 0.000 0.836 189 D CB 0.318 41.149 40.800 0.051 0.000 1.019 189 D HN 0.269 nan 8.370 nan 0.000 0.507 190 I N -0.887 119.726 120.570 0.070 0.000 2.938 190 I HA 0.187 4.356 4.170 -0.002 0.000 0.285 190 I C 0.526 176.629 176.117 -0.023 0.000 1.182 190 I CA -0.661 60.648 61.300 0.015 0.000 1.388 190 I CB 0.927 38.909 38.000 -0.030 0.000 1.390 190 I HN -0.356 nan 8.210 nan 0.000 0.600 191 R N 4.274 124.742 120.500 -0.054 0.000 2.288 191 R HA 0.415 4.754 4.340 -0.002 0.000 0.330 191 R C -1.360 174.855 176.300 -0.142 0.000 1.069 191 R CA -0.535 55.511 56.100 -0.091 0.000 0.941 191 R CB 0.501 30.747 30.300 -0.090 0.000 0.998 191 R HN 0.675 nan 8.270 nan 0.000 0.452 192 L N 4.550 125.679 121.223 -0.157 0.000 2.341 192 L HA 0.532 4.870 4.340 -0.002 0.000 0.278 192 L C -0.709 175.988 176.870 -0.288 0.000 1.005 192 L CA -0.007 54.721 54.840 -0.186 0.000 0.818 192 L CB 2.129 44.120 42.059 -0.113 0.000 1.259 192 L HN 0.842 nan 8.230 nan 0.000 0.418 193 T N 1.764 116.110 114.554 -0.348 0.000 2.865 193 T HA 0.862 5.211 4.350 -0.002 0.000 0.294 193 T C -0.641 173.905 174.700 -0.256 0.000 1.119 193 T CA -0.261 61.549 62.100 -0.485 0.000 1.007 193 T CB 1.541 69.844 68.868 -0.943 0.000 1.225 193 T HN 0.947 nan 8.240 nan 0.000 0.515 194 V N -1.517 118.297 119.914 -0.166 0.000 3.007 194 V HA 0.806 4.925 4.120 -0.002 0.000 0.311 194 V C -1.739 174.410 176.094 0.092 0.000 1.120 194 V CA -0.922 61.360 62.300 -0.030 0.000 0.980 194 V CB 1.996 33.804 31.823 -0.026 0.000 1.033 194 V HN 1.036 nan 8.190 nan 0.000 0.429 195 D N 2.576 123.050 120.400 0.123 0.000 2.427 195 D HA 0.714 5.353 4.640 -0.002 0.000 0.226 195 D C 0.615 177.034 176.300 0.198 0.000 1.076 195 D CA 0.176 54.290 54.000 0.190 0.000 0.849 195 D CB 1.770 42.681 40.800 0.185 0.000 1.052 195 D HN 0.920 nan 8.370 nan 0.000 0.515 196 A N 4.136 127.093 122.820 0.229 0.000 2.178 196 A HA 0.057 4.376 4.320 -0.002 0.000 0.211 196 A C 1.169 178.949 177.584 0.327 0.000 1.157 196 A CA 0.346 52.575 52.037 0.320 0.000 0.780 196 A CB -0.424 18.729 19.000 0.256 0.000 0.828 196 A HN 0.690 nan 8.150 nan 0.000 0.476 197 N N -0.834 118.017 118.700 0.251 0.000 2.754 197 N HA -0.203 4.536 4.740 -0.002 0.000 0.248 197 N C 0.121 175.746 175.510 0.192 0.000 1.093 197 N CA 1.059 54.232 53.050 0.204 0.000 0.699 197 N CB -2.093 36.495 38.487 0.168 0.000 1.016 197 N HN 0.386 nan 8.380 nan 0.000 0.552 198 S N -2.844 112.996 115.700 0.234 0.000 3.477 198 S HA -0.242 4.227 4.470 -0.002 0.000 0.357 198 S C 0.992 175.687 174.600 0.157 0.000 1.083 198 S CA 1.136 59.468 58.200 0.220 0.000 1.042 198 S CB -1.641 61.693 63.200 0.223 0.000 0.911 198 S HN 0.955 nan 8.310 nan 0.000 0.490 199 A N -1.407 121.498 122.820 0.141 0.000 2.348 199 A HA 0.529 4.848 4.320 -0.002 0.000 0.224 199 A C 0.242 177.673 177.584 -0.254 0.000 1.227 199 A CA 0.228 52.217 52.037 -0.079 0.000 0.885 199 A CB 0.237 19.122 19.000 -0.192 0.000 0.933 199 A HN 0.533 nan 8.150 nan 0.000 0.506 200 Y N -0.676 119.653 120.300 0.048 0.000 2.650 200 Y HA 0.585 5.134 4.550 -0.002 0.000 0.331 200 Y C 0.909 176.808 175.900 -0.000 0.000 1.082 200 Y CA -0.107 58.009 58.100 0.026 0.000 1.171 200 Y CB 1.578 40.053 38.460 0.024 0.000 1.326 200 Y HN 0.125 nan 8.280 nan 0.000 0.513 201 T N -2.885 111.769 114.554 0.168 0.000 2.831 201 T HA 0.397 4.746 4.350 -0.002 0.000 0.287 201 T C 0.392 175.123 174.700 0.052 0.000 1.070 201 T CA -0.853 61.287 62.100 0.067 0.000 1.010 201 T CB 0.731 69.624 68.868 0.041 0.000 1.264 201 T HN 0.570 nan 8.240 nan 0.000 0.532 202 L N 0.599 121.828 121.223 0.009 0.000 2.201 202 L HA 0.072 4.411 4.340 -0.002 0.000 0.212 202 L C 3.059 179.939 176.870 0.016 0.000 1.105 202 L CA 1.306 56.145 54.840 -0.002 0.000 0.775 202 L CB -0.769 41.279 42.059 -0.018 0.000 0.913 202 L HN 0.948 nan 8.230 nan 0.000 0.440 203 A N -0.581 122.256 122.820 0.028 0.000 2.131 203 A HA -0.198 4.121 4.320 -0.002 0.000 0.220 203 A C 1.611 179.227 177.584 0.053 0.000 1.158 203 A CA 1.580 53.638 52.037 0.034 0.000 0.665 203 A CB -0.339 18.680 19.000 0.033 0.000 0.795 203 A HN 0.367 nan 8.150 nan 0.000 0.460 204 D N -0.383 120.066 120.400 0.081 0.000 2.339 204 D HA 0.272 4.911 4.640 -0.002 0.000 0.217 204 D C 1.895 178.223 176.300 0.047 0.000 1.050 204 D CA 0.759 54.829 54.000 0.117 0.000 0.856 204 D CB 0.071 41.043 40.800 0.287 0.000 0.922 204 D HN 0.428 nan 8.370 nan 0.000 0.518 205 A N 1.088 123.918 122.820 0.018 0.000 1.917 205 A HA -0.135 4.184 4.320 -0.002 0.000 0.219 205 A C 2.345 179.923 177.584 -0.010 0.000 1.182 205 A CA 2.094 54.125 52.037 -0.010 0.000 0.633 205 A CB -1.014 17.980 19.000 -0.009 0.000 0.819 205 A HN 0.318 nan 8.150 nan 0.000 0.448 206 G N -0.874 107.930 108.800 0.005 0.000 2.408 206 G HA2 -0.210 3.749 3.960 -0.002 0.000 0.217 206 G HA3 -0.210 3.749 3.960 -0.002 0.000 0.217 206 G C 1.688 176.593 174.900 0.008 0.000 1.150 206 G CA 1.220 46.323 45.100 0.005 0.000 0.776 206 G HN 0.533 nan 8.290 nan 0.000 0.542 207 R N 0.450 120.963 120.500 0.022 0.000 2.066 207 R HA 0.113 4.452 4.340 -0.002 0.000 0.232 207 R C 2.540 178.833 176.300 -0.012 0.000 1.131 207 R CA 1.133 57.250 56.100 0.028 0.000 0.955 207 R CB -0.870 29.476 30.300 0.077 0.000 0.851 207 R HN 0.376 nan 8.270 nan 0.000 0.432 208 L N 0.082 121.268 121.223 -0.062 0.000 2.079 208 L HA -0.118 4.220 4.340 -0.002 0.000 0.210 208 L C 2.735 179.569 176.870 -0.061 0.000 1.081 208 L CA 1.714 56.482 54.840 -0.120 0.000 0.752 208 L CB -0.464 41.480 42.059 -0.191 0.000 0.896 208 L HN 0.250 nan 8.230 nan 0.000 0.433 209 R N 0.283 120.760 120.500 -0.039 0.000 2.127 209 R HA -0.201 4.138 4.340 -0.002 0.000 0.238 209 R C 2.193 178.476 176.300 -0.028 0.000 1.134 209 R CA 1.315 57.397 56.100 -0.031 0.000 0.975 209 R CB -0.090 30.195 30.300 -0.024 0.000 0.865 209 R HN 0.465 nan 8.270 nan 0.000 0.447 210 Q N 0.028 119.821 119.800 -0.011 0.000 2.443 210 Q HA -0.135 4.204 4.340 -0.002 0.000 0.213 210 Q C 1.784 177.813 176.000 0.048 0.000 0.982 210 Q CA 0.914 56.722 55.803 0.008 0.000 0.894 210 Q CB 0.032 28.793 28.738 0.038 0.000 0.947 210 Q HN 0.438 nan 8.270 nan 0.000 0.480 211 L N 0.105 121.355 121.223 0.045 0.000 2.418 211 L HA -0.098 4.241 4.340 -0.002 0.000 0.218 211 L C 1.291 178.186 176.870 0.043 0.000 1.125 211 L CA 0.214 55.125 54.840 0.117 0.000 0.835 211 L CB -0.147 41.935 42.059 0.038 0.000 0.953 211 L HN 0.106 nan 8.230 nan 0.000 0.454 212 D N 0.938 121.313 120.400 -0.042 0.000 2.149 212 D HA -0.236 4.403 4.640 -0.002 0.000 0.198 212 D C 1.942 178.155 176.300 -0.145 0.000 0.990 212 D CA 1.530 55.488 54.000 -0.071 0.000 0.839 212 D CB -0.032 40.728 40.800 -0.067 0.000 0.948 212 D HN 0.572 nan 8.370 nan 0.000 0.460 213 E N -0.383 119.636 120.200 -0.302 0.000 2.409 213 E HA -0.178 4.171 4.350 -0.002 0.000 0.198 213 E C 0.956 177.253 176.600 -0.505 0.000 1.024 213 E CA 0.727 56.860 56.400 -0.446 0.000 0.861 213 E CB -0.455 28.889 29.700 -0.594 0.000 0.788 213 E HN 0.436 nan 8.360 nan 0.000 0.521 214 Y N 1.238 121.514 120.300 -0.039 0.000 2.468 214 Y HA 0.112 4.659 4.550 -0.004 0.000 0.268 214 Y C -0.154 175.720 175.900 -0.044 0.000 1.177 214 Y CA -0.256 57.819 58.100 -0.042 0.000 1.265 214 Y CB 0.300 38.728 38.460 -0.053 0.000 1.103 214 Y HN -0.100 nan 8.280 nan 0.000 0.522 215 D N 0.940 121.357 120.400 0.029 0.000 2.689 215 D HA -0.205 4.434 4.640 -0.002 0.000 0.237 215 D C -0.431 175.867 176.300 -0.003 0.000 1.148 215 D CA 0.633 54.636 54.000 0.005 0.000 0.656 215 D CB -1.244 39.557 40.800 0.003 0.000 1.050 215 D HN 0.374 nan 8.370 nan 0.000 0.426 216 L N 0.135 121.352 121.223 -0.011 0.000 2.456 216 L HA 0.027 4.366 4.340 -0.002 0.000 0.272 216 L C 2.229 179.043 176.870 -0.093 0.000 1.189 216 L CA 0.020 54.815 54.840 -0.076 0.000 0.846 216 L CB 0.426 42.437 42.059 -0.081 0.000 1.111 216 L HN -0.036 nan 8.230 nan 0.000 0.475 217 T N 1.130 115.572 114.554 -0.186 0.000 2.788 217 T HA -0.081 4.268 4.350 -0.002 0.000 0.268 217 T C -0.405 174.279 174.700 -0.027 0.000 1.044 217 T CA 1.499 63.514 62.100 -0.142 0.000 1.139 217 T CB -0.158 68.575 68.868 -0.225 0.000 0.867 217 T HN 0.614 nan 8.240 nan 0.000 0.454 218 Y N -2.069 118.220 120.300 -0.018 0.000 2.702 218 Y HA 0.613 5.162 4.550 -0.001 0.000 0.336 218 Y C -1.856 174.055 175.900 0.018 0.000 1.203 218 Y CA -2.244 55.864 58.100 0.014 0.000 1.072 218 Y CB 0.478 38.971 38.460 0.054 0.000 1.327 218 Y HN -0.142 nan 8.280 nan 0.000 0.456 219 I N 2.144 122.868 120.570 0.257 0.000 2.354 219 I HA 0.306 4.475 4.170 -0.002 0.000 0.292 219 I C -0.358 175.940 176.117 0.302 0.000 0.989 219 I CA -0.655 60.761 61.300 0.194 0.000 1.188 219 I CB 1.747 39.792 38.000 0.075 0.000 1.342 219 I HN 0.686 nan 8.210 nan 0.000 0.457 220 E N 6.001 126.403 120.200 0.337 0.000 2.229 220 E HA 0.095 4.444 4.350 -0.002 0.000 0.283 220 E C -0.207 176.532 176.600 0.232 0.000 1.030 220 E CA -0.621 55.963 56.400 0.307 0.000 0.836 220 E CB 0.751 30.688 29.700 0.396 0.000 1.068 220 E HN 0.493 nan 8.360 nan 0.000 0.401 221 Q N 3.867 123.772 119.800 0.175 0.000 2.413 221 Q HA -0.171 4.168 4.340 -0.002 0.000 0.364 221 Q C -1.912 174.299 176.000 0.352 0.000 1.359 221 Q CA 0.564 56.492 55.803 0.208 0.000 1.097 221 Q CB -0.125 28.691 28.738 0.129 0.000 1.286 221 Q HN 0.504 nan 8.270 nan 0.000 0.358 222 P HA -0.133 nan 4.420 nan 0.000 0.219 222 P C 0.254 177.708 177.300 0.256 0.000 1.150 222 P CA 1.165 64.434 63.100 0.283 0.000 0.814 222 P CB 0.279 32.037 31.700 0.097 0.000 0.787 223 L N -1.346 119.954 121.223 0.129 0.000 2.793 223 L HA 0.604 4.943 4.340 -0.002 0.000 0.242 223 L C 0.822 177.787 176.870 0.158 0.000 1.315 223 L CA -1.610 53.199 54.840 -0.053 0.000 1.263 223 L CB -0.561 41.184 42.059 -0.522 0.000 2.076 223 L HN -0.263 nan 8.230 nan 0.000 0.575 224 A N 0.517 123.384 122.820 0.079 0.000 2.565 224 A HA -0.078 4.241 4.320 -0.002 0.000 0.237 224 A C 0.939 178.605 177.584 0.138 0.000 1.053 224 A CA 0.021 52.111 52.037 0.088 0.000 0.755 224 A CB -0.261 18.706 19.000 -0.054 0.000 0.980 224 A HN 0.878 nan 8.150 nan 0.000 0.506 225 W N 2.694 124.028 121.300 0.056 0.000 2.350 225 W HA -0.180 4.479 4.660 -0.002 0.000 0.289 225 W C -0.010 176.489 176.519 -0.033 0.000 1.215 225 W CA 1.476 58.816 57.345 -0.008 0.000 1.236 225 W CB -0.511 28.903 29.460 -0.077 0.000 1.130 225 W HN 0.753 nan 8.180 nan 0.000 0.541 226 D N -0.181 119.694 120.400 -0.876 0.000 2.388 226 D HA 0.022 4.661 4.640 -0.002 0.000 0.221 226 D C -0.159 175.891 176.300 -0.417 0.000 1.133 226 D CA -0.156 53.305 54.000 -0.897 0.000 0.831 226 D CB -0.714 39.103 40.800 -1.638 0.000 0.962 226 D HN 0.127 nan 8.370 nan 0.000 0.502 227 D N 0.590 120.867 120.400 -0.204 0.000 2.163 227 D HA 0.211 4.850 4.640 -0.002 0.000 0.248 227 D C 0.504 176.824 176.300 0.034 0.000 1.035 227 D CA -0.557 53.409 54.000 -0.057 0.000 0.872 227 D CB 2.074 42.892 40.800 0.030 0.000 1.183 227 D HN 0.011 nan 8.370 nan 0.000 0.445 228 L N 2.584 123.809 121.223 0.005 0.000 2.653 228 L HA 0.056 4.394 4.340 -0.002 0.000 0.230 228 L C 2.278 179.178 176.870 0.050 0.000 1.055 228 L CA -0.088 54.758 54.840 0.010 0.000 0.880 228 L CB 0.144 42.170 42.059 -0.055 0.000 1.195 228 L HN 0.287 nan 8.230 nan 0.000 0.492 229 V N 0.491 120.414 119.914 0.016 0.000 2.261 229 V HA -0.260 3.859 4.120 -0.002 0.000 0.246 229 V C 1.996 178.094 176.094 0.007 0.000 1.047 229 V CA 2.100 64.401 62.300 0.003 0.000 1.015 229 V CB -0.323 31.490 31.823 -0.017 0.000 0.642 229 V HN 0.398 nan 8.190 nan 0.000 0.446 230 D N -1.398 118.997 120.400 -0.007 0.000 2.144 230 D HA -0.137 4.502 4.640 -0.002 0.000 0.200 230 D C 2.086 178.343 176.300 -0.072 0.000 0.978 230 D CA 1.062 55.031 54.000 -0.053 0.000 0.833 230 D CB -0.372 40.371 40.800 -0.095 0.000 0.961 230 D HN 0.525 nan 8.370 nan 0.000 0.470 231 H N 0.630 119.686 119.070 -0.024 0.000 2.352 231 H HA -0.070 4.485 4.556 -0.002 0.000 0.299 231 H C 2.055 177.370 175.328 -0.021 0.000 1.097 231 H CA 1.407 57.444 56.048 -0.018 0.000 1.311 231 H CB -0.014 29.734 29.762 -0.023 0.000 1.377 231 H HN 0.109 nan 8.280 nan 0.000 0.504 232 A N 1.093 123.966 122.820 0.087 0.000 1.902 232 A HA -0.215 4.103 4.320 -0.002 0.000 0.217 232 A C 2.376 179.969 177.584 0.015 0.000 1.181 232 A CA 1.900 53.958 52.037 0.034 0.000 0.623 232 A CB -0.308 18.700 19.000 0.013 0.000 0.818 232 A HN 0.356 nan 8.150 nan 0.000 0.443 233 E N -0.114 120.088 120.200 0.003 0.000 2.051 233 E HA -0.167 4.182 4.350 -0.002 0.000 0.192 233 E C 1.795 178.389 176.600 -0.011 0.000 0.991 233 E CA 1.413 57.808 56.400 -0.008 0.000 0.799 233 E CB -0.465 29.224 29.700 -0.018 0.000 0.748 233 E HN 0.438 nan 8.360 nan 0.000 0.449 234 L N 0.210 121.422 121.223 -0.020 0.000 2.093 234 L HA 0.036 4.375 4.340 -0.002 0.000 0.208 234 L C 2.177 179.046 176.870 -0.002 0.000 1.085 234 L CA 2.119 56.945 54.840 -0.023 0.000 0.755 234 L CB -0.848 41.179 42.059 -0.053 0.000 0.904 234 L HN 0.180 nan 8.230 nan 0.000 0.435 235 A N -0.373 122.457 122.820 0.017 0.000 2.019 235 A HA -0.196 4.123 4.320 -0.002 0.000 0.219 235 A C 2.359 179.948 177.584 0.009 0.000 1.164 235 A CA 1.628 53.677 52.037 0.020 0.000 0.644 235 A CB -0.567 18.451 19.000 0.028 0.000 0.805 235 A HN 0.552 nan 8.150 nan 0.000 0.449 236 R N -0.924 119.579 120.500 0.005 0.000 2.193 236 R HA 0.034 4.373 4.340 -0.002 0.000 0.213 236 R C 1.903 178.202 176.300 -0.002 0.000 1.055 236 R CA 0.984 57.085 56.100 0.001 0.000 0.995 236 R CB -0.102 30.198 30.300 0.001 0.000 0.893 236 R HN 0.476 nan 8.270 nan 0.000 0.459 237 R N 0.490 120.987 120.500 -0.005 0.000 2.254 237 R HA 0.204 4.543 4.340 -0.002 0.000 0.195 237 R C 0.957 177.250 176.300 -0.012 0.000 0.957 237 R CA 0.378 56.472 56.100 -0.009 0.000 1.024 237 R CB 0.271 30.564 30.300 -0.011 0.000 0.952 237 R HN 0.214 nan 8.270 nan 0.000 0.484 238 I N -3.497 117.067 120.570 -0.010 0.000 2.934 238 I HA 0.376 4.545 4.170 -0.002 0.000 0.306 238 I C 0.267 176.379 176.117 -0.007 0.000 1.110 238 I CA -1.134 60.158 61.300 -0.014 0.000 1.019 238 I CB 2.425 40.413 38.000 -0.021 0.000 1.227 238 I HN -0.238 nan 8.210 nan 0.000 0.434 239 R N 0.718 121.211 120.500 -0.011 0.000 2.265 239 R HA 0.178 4.517 4.340 -0.002 0.000 0.194 239 R C 0.070 176.371 176.300 0.002 0.000 0.931 239 R CA 0.153 56.249 56.100 -0.006 0.000 1.032 239 R CB 0.150 30.441 30.300 -0.015 0.000 0.980 239 R HN 0.678 nan 8.270 nan 0.000 0.497 240 T N 4.033 118.588 114.554 0.001 0.000 2.867 240 T HA 0.099 4.448 4.350 -0.002 0.000 0.297 240 T C -2.353 172.371 174.700 0.040 0.000 0.989 240 T CA -0.921 61.188 62.100 0.015 0.000 1.159 240 T CB 0.959 69.831 68.868 0.008 0.000 0.928 240 T HN -0.049 nan 8.240 nan 0.000 0.538 241 P HA 0.148 nan 4.420 nan 0.000 0.266 241 P C -0.413 176.963 177.300 0.127 0.000 1.195 241 P CA -0.184 62.970 63.100 0.090 0.000 0.768 241 P CB 0.406 32.175 31.700 0.115 0.000 0.838 242 L N 2.622 123.904 121.223 0.098 0.000 2.312 242 L HA 0.414 4.752 4.340 -0.002 0.000 0.281 242 L C 0.373 177.281 176.870 0.063 0.000 1.070 242 L CA -0.603 54.302 54.840 0.109 0.000 0.805 242 L CB 1.295 43.418 42.059 0.106 0.000 1.174 242 L HN 0.440 nan 8.230 nan 0.000 0.434 243 C N 5.269 124.608 119.300 0.065 0.000 2.322 243 C HA 0.571 5.030 4.460 -0.002 0.000 0.324 243 C C -0.125 174.815 174.990 -0.082 0.000 1.284 243 C CA -0.749 58.228 59.018 -0.068 0.000 1.606 243 C CB 0.354 27.953 27.740 -0.235 0.000 2.251 243 C HN 0.557 nan 8.230 nan 0.000 0.502 244 L N 5.705 126.832 121.223 -0.160 0.000 2.334 244 L HA 0.472 4.811 4.340 -0.002 0.000 0.277 244 L C 0.570 177.342 176.870 -0.163 0.000 1.075 244 L CA 0.621 55.344 54.840 -0.195 0.000 0.804 244 L CB 1.216 43.139 42.059 -0.228 0.000 1.174 244 L HN 0.844 nan 8.230 nan 0.000 0.438 245 D N 0.894 121.233 120.400 -0.100 0.000 3.051 245 D HA -0.003 4.636 4.640 -0.002 0.000 0.216 245 D C 1.227 177.526 176.300 -0.001 0.000 1.454 245 D CA 0.286 54.258 54.000 -0.046 0.000 1.400 245 D CB 0.375 41.208 40.800 0.055 0.000 0.975 245 D HN 0.441 nan 8.370 nan 0.000 0.212 246 E N 0.246 120.469 120.200 0.040 0.000 2.209 246 E HA -0.095 4.254 4.350 -0.002 0.000 0.196 246 E C 1.857 178.500 176.600 0.072 0.000 0.993 246 E CA 1.563 57.987 56.400 0.040 0.000 0.819 246 E CB -0.134 29.595 29.700 0.050 0.000 0.745 246 E HN 0.310 nan 8.360 nan 0.000 0.477 247 S N -0.587 115.108 115.700 -0.007 0.000 2.603 247 S HA 0.050 4.519 4.470 -0.002 0.000 0.220 247 S C 0.713 175.269 174.600 -0.073 0.000 0.967 247 S CA -0.211 57.949 58.200 -0.068 0.000 0.920 247 S CB 0.295 63.413 63.200 -0.138 0.000 0.773 247 S HN -0.047 nan 8.310 nan 0.000 0.529 248 V N 2.169 122.044 119.914 -0.064 0.000 2.259 248 V HA 0.665 4.784 4.120 -0.002 0.000 0.267 248 V C 0.677 176.754 176.094 -0.028 0.000 1.051 248 V CA -0.006 62.254 62.300 -0.067 0.000 0.830 248 V CB 0.206 31.966 31.823 -0.106 0.000 1.080 248 V HN 0.486 nan 8.190 nan 0.000 0.467 249 A N 3.654 126.469 122.820 -0.008 0.000 2.503 249 A HA 0.673 4.992 4.320 -0.002 0.000 0.263 249 A C 0.672 178.264 177.584 0.012 0.000 1.258 249 A CA 0.481 52.528 52.037 0.017 0.000 0.936 249 A CB 0.164 19.191 19.000 0.045 0.000 1.070 249 A HN 0.909 nan 8.150 nan 0.000 0.522 250 S N -3.414 112.286 115.700 -0.001 0.000 2.636 250 S HA 0.587 5.056 4.470 -0.002 0.000 0.266 250 S C 0.746 175.346 174.600 -0.000 0.000 1.147 250 S CA 0.063 58.267 58.200 0.006 0.000 0.815 250 S CB 0.746 63.953 63.200 0.012 0.000 1.119 250 S HN 1.048 nan 8.310 nan 0.000 0.470 251 A N 1.541 124.370 122.820 0.015 0.000 1.930 251 A HA 0.041 4.360 4.320 -0.002 0.000 0.217 251 A C 2.278 179.873 177.584 0.018 0.000 1.175 251 A CA 2.244 54.294 52.037 0.021 0.000 0.627 251 A CB -1.511 17.515 19.000 0.042 0.000 0.815 251 A HN 1.636 nan 8.150 nan 0.000 0.443 252 S N 0.119 115.828 115.700 0.016 0.000 2.406 252 S HA -0.151 4.318 4.470 -0.002 0.000 0.228 252 S C 1.373 175.966 174.600 -0.012 0.000 1.020 252 S CA 1.266 59.474 58.200 0.013 0.000 0.965 252 S CB -0.466 62.742 63.200 0.014 0.000 0.798 252 S HN 0.472 nan 8.310 nan 0.000 0.488 253 D N 2.621 123.007 120.400 -0.024 0.000 2.123 253 D HA 0.037 4.676 4.640 -0.002 0.000 0.196 253 D C 2.250 178.502 176.300 -0.079 0.000 0.992 253 D CA 1.500 55.470 54.000 -0.049 0.000 0.833 253 D CB -0.680 40.092 40.800 -0.046 0.000 0.954 253 D HN 0.543 nan 8.370 nan 0.000 0.455 254 A N 0.952 123.727 122.820 -0.075 0.000 1.902 254 A HA -0.179 4.140 4.320 -0.002 0.000 0.217 254 A C 2.175 179.655 177.584 -0.174 0.000 1.181 254 A CA 1.389 53.353 52.037 -0.120 0.000 0.623 254 A CB -0.394 18.553 19.000 -0.088 0.000 0.818 254 A HN 0.050 nan 8.150 nan 0.000 0.443 255 R N 0.407 120.861 120.500 -0.077 0.000 2.081 255 R HA -0.126 4.213 4.340 -0.002 0.000 0.235 255 R C 1.846 178.068 176.300 -0.129 0.000 1.131 255 R CA 2.080 58.159 56.100 -0.034 0.000 0.960 255 R CB -0.430 29.951 30.300 0.135 0.000 0.856 255 R HN 0.569 nan 8.270 nan 0.000 0.436 256 K N 0.018 120.368 120.400 -0.084 0.000 2.057 256 K HA -0.032 4.287 4.320 -0.002 0.000 0.206 256 K C 2.197 178.717 176.600 -0.132 0.000 1.050 256 K CA 1.419 57.660 56.287 -0.076 0.000 0.935 256 K CB -0.211 32.259 32.500 -0.051 0.000 0.715 256 K HN 0.223 nan 8.250 nan 0.000 0.439 257 A N 1.364 124.082 122.820 -0.169 0.000 1.883 257 A HA -0.167 4.152 4.320 -0.002 0.000 0.217 257 A C 2.121 179.551 177.584 -0.256 0.000 1.186 257 A CA 1.455 53.380 52.037 -0.187 0.000 0.624 257 A CB -0.691 18.194 19.000 -0.191 0.000 0.822 257 A HN 0.165 nan 8.150 nan 0.000 0.444 258 L N -1.170 119.783 121.223 -0.449 0.000 2.072 258 L HA -0.084 4.255 4.340 -0.002 0.000 0.205 258 L C 3.050 179.608 176.870 -0.520 0.000 1.079 258 L CA 0.892 55.335 54.840 -0.661 0.000 0.752 258 L CB -0.505 40.772 42.059 -1.304 0.000 0.906 258 L HN 0.419 nan 8.230 nan 0.000 0.436 259 A N 0.044 122.616 122.820 -0.412 0.000 1.930 259 A HA -0.098 4.221 4.320 -0.002 0.000 0.217 259 A C 2.195 179.775 177.584 -0.007 0.000 1.175 259 A CA 1.165 53.202 52.037 -0.000 0.000 0.627 259 A CB -0.575 18.511 19.000 0.144 0.000 0.815 259 A HN 0.358 nan 8.150 nan 0.000 0.443 260 L N -1.108 120.082 121.223 -0.056 0.000 2.376 260 L HA 0.076 4.415 4.340 -0.002 0.000 0.219 260 L C 1.696 178.548 176.870 -0.030 0.000 1.133 260 L CA 0.613 55.434 54.840 -0.032 0.000 0.816 260 L CB -0.364 41.672 42.059 -0.038 0.000 0.933 260 L HN 0.597 nan 8.230 nan 0.000 0.449 261 G N -0.434 108.333 108.800 -0.056 0.000 2.176 261 G HA2 -0.331 3.628 3.960 -0.002 0.000 0.252 261 G HA3 -0.331 3.628 3.960 -0.002 0.000 0.252 261 G C 0.979 175.863 174.900 -0.027 0.000 1.024 261 G CA 0.418 45.495 45.100 -0.038 0.000 0.755 261 G HN 0.444 nan 8.290 nan 0.000 0.507 262 A N -1.072 121.721 122.820 -0.045 0.000 2.015 262 A HA 0.543 4.862 4.320 -0.002 0.000 0.219 262 A C 1.750 179.319 177.584 -0.025 0.000 1.163 262 A CA 2.022 54.051 52.037 -0.014 0.000 0.646 262 A CB 0.082 19.054 19.000 -0.047 0.000 0.806 262 A HN 2.264 nan 8.150 nan 0.000 0.448 263 G N -4.230 104.529 108.800 -0.069 0.000 2.495 263 G HA2 0.452 4.411 3.960 -0.002 0.000 0.294 263 G HA3 0.452 4.411 3.960 -0.002 0.000 0.294 263 G C 0.149 175.006 174.900 -0.071 0.000 1.397 263 G CA 0.207 45.274 45.100 -0.054 0.000 0.790 263 G HN 0.700 nan 8.290 nan 0.000 0.486 264 G N -1.359 107.418 108.800 -0.039 0.000 3.377 264 G HA2 0.495 4.454 3.960 -0.002 0.000 0.257 264 G HA3 0.495 4.454 3.960 -0.002 0.000 0.257 264 G C -0.374 174.503 174.900 -0.038 0.000 1.038 264 G CA 0.350 45.431 45.100 -0.033 0.000 0.809 264 G HN 1.024 nan 8.290 nan 0.000 0.526 265 V N 0.863 120.735 119.914 -0.070 0.000 2.932 265 V HA 0.517 4.636 4.120 -0.002 0.000 0.307 265 V C -1.069 174.923 176.094 -0.169 0.000 1.147 265 V CA -0.805 61.438 62.300 -0.094 0.000 0.951 265 V CB 2.362 34.119 31.823 -0.111 0.000 1.031 265 V HN 0.100 nan 8.190 nan 0.000 0.426 266 I N 2.616 123.055 120.570 -0.217 0.000 2.436 266 I HA 0.393 4.562 4.170 -0.002 0.000 0.289 266 I C 0.033 175.802 176.117 -0.581 0.000 1.010 266 I CA -0.375 60.734 61.300 -0.318 0.000 1.098 266 I CB 1.826 39.663 38.000 -0.271 0.000 1.266 266 I HN 0.747 nan 8.210 nan 0.000 0.434 267 N N 6.299 124.570 118.700 -0.714 0.000 2.399 267 N HA 0.170 4.909 4.740 -0.002 0.000 0.259 267 N C -0.957 174.165 175.510 -0.645 0.000 1.160 267 N CA -0.611 51.725 53.050 -1.191 0.000 0.946 267 N CB 0.598 38.498 38.487 -0.980 0.000 1.156 267 N HN 0.357 nan 8.380 nan 0.000 0.489 268 L N 4.226 125.116 121.223 -0.555 0.000 2.260 268 L HA 0.333 4.672 4.340 -0.002 0.000 0.289 268 L C -0.695 176.097 176.870 -0.130 0.000 1.057 268 L CA -0.098 54.597 54.840 -0.243 0.000 0.811 268 L CB 0.500 42.463 42.059 -0.161 0.000 1.184 268 L HN 0.419 nan 8.230 nan 0.000 0.429 269 K N 4.361 124.702 120.400 -0.098 0.000 2.339 269 K HA 0.225 4.544 4.320 -0.002 0.000 0.264 269 K C 0.700 177.273 176.600 -0.044 0.000 0.986 269 K CA -0.446 55.801 56.287 -0.068 0.000 0.866 269 K CB 2.267 34.721 32.500 -0.077 0.000 1.103 269 K HN 0.527 nan 8.250 nan 0.000 0.441 270 V N 3.250 123.133 119.914 -0.053 0.000 2.332 270 V HA -0.300 3.819 4.120 -0.002 0.000 0.248 270 V C 1.811 177.833 176.094 -0.120 0.000 1.055 270 V CA 2.792 65.030 62.300 -0.103 0.000 1.038 270 V CB -0.150 31.549 31.823 -0.207 0.000 0.651 270 V HN 0.932 nan 8.190 nan 0.000 0.450 271 A N -0.267 122.487 122.820 -0.109 0.000 1.930 271 A HA -0.130 4.189 4.320 -0.002 0.000 0.215 271 A C 2.393 179.964 177.584 -0.021 0.000 1.176 271 A CA 1.468 53.455 52.037 -0.083 0.000 0.632 271 A CB -0.698 18.250 19.000 -0.085 0.000 0.819 271 A HN 0.564 nan 8.150 nan 0.000 0.445 272 R N 0.204 120.708 120.500 0.007 0.000 2.119 272 R HA -0.165 4.174 4.340 -0.002 0.000 0.246 272 R C 1.839 178.164 176.300 0.041 0.000 1.146 272 R CA 2.229 58.367 56.100 0.064 0.000 0.962 272 R CB -0.407 29.962 30.300 0.115 0.000 0.863 272 R HN 0.553 nan 8.270 nan 0.000 0.442 273 V N -3.493 116.428 119.914 0.012 0.000 3.623 273 V HA 0.349 4.468 4.120 -0.002 0.000 0.271 273 V C 0.982 177.083 176.094 0.012 0.000 1.248 273 V CA 0.919 63.226 62.300 0.012 0.000 1.156 273 V CB 0.394 32.220 31.823 0.004 0.000 0.870 273 V HN 0.498 nan 8.190 nan 0.000 0.453 274 G N -1.663 107.137 108.800 0.000 0.000 2.168 274 G HA2 0.334 4.293 3.960 -0.002 0.000 0.197 274 G HA3 0.334 4.293 3.960 -0.002 0.000 0.197 274 G C 0.948 175.841 174.900 -0.013 0.000 0.997 274 G CA -0.057 45.044 45.100 0.001 0.000 0.658 274 G HN 2.236 nan 8.290 nan 0.000 0.513 275 G N -1.684 107.084 108.800 -0.052 0.000 2.343 275 G HA2 0.228 4.187 3.960 -0.002 0.000 0.562 275 G HA3 0.228 4.187 3.960 -0.002 0.000 0.562 275 G C 0.208 175.051 174.900 -0.094 0.000 1.269 275 G CA 0.434 45.474 45.100 -0.101 0.000 1.011 275 G HN 0.530 nan 8.290 nan 0.000 0.498 276 H N -0.082 118.978 119.070 -0.017 0.000 2.357 276 H HA 0.053 4.608 4.556 -0.002 0.000 0.301 276 H C 3.080 178.326 175.328 -0.137 0.000 1.082 276 H CA 2.361 58.285 56.048 -0.208 0.000 1.342 276 H CB -0.457 28.903 29.762 -0.669 0.000 1.389 276 H HN 0.725 nan 8.280 nan 0.000 0.511 277 A N 1.054 123.999 122.820 0.208 0.000 1.877 277 A HA -0.199 4.120 4.320 -0.002 0.000 0.216 277 A C 2.377 180.044 177.584 0.139 0.000 1.186 277 A CA 1.954 54.138 52.037 0.246 0.000 0.620 277 A CB -0.309 18.939 19.000 0.413 0.000 0.822 277 A HN 0.351 nan 8.150 nan 0.000 0.443 278 E N -0.071 120.196 120.200 0.112 0.000 2.152 278 E HA -0.066 4.283 4.350 -0.002 0.000 0.192 278 E C 2.158 178.796 176.600 0.064 0.000 0.983 278 E CA 1.324 57.770 56.400 0.075 0.000 0.818 278 E CB -0.234 29.498 29.700 0.053 0.000 0.758 278 E HN 0.466 nan 8.360 nan 0.000 0.467 279 S N -0.079 115.655 115.700 0.057 0.000 2.368 279 S HA -0.153 4.316 4.470 -0.002 0.000 0.225 279 S C 1.899 176.567 174.600 0.113 0.000 1.030 279 S CA 1.283 59.527 58.200 0.073 0.000 0.999 279 S CB -0.280 62.963 63.200 0.072 0.000 0.844 279 S HN 0.279 nan 8.310 nan 0.000 0.459 280 R N 0.977 121.526 120.500 0.081 0.000 2.096 280 R HA -0.017 4.322 4.340 -0.002 0.000 0.235 280 R C 2.370 178.752 176.300 0.138 0.000 1.127 280 R CA 1.172 57.314 56.100 0.070 0.000 0.968 280 R CB -0.069 30.227 30.300 -0.007 0.000 0.861 280 R HN 0.287 nan 8.270 nan 0.000 0.440 281 R N -0.354 120.213 120.500 0.110 0.000 2.081 281 R HA -0.089 4.250 4.340 -0.002 0.000 0.235 281 R C 2.290 178.649 176.300 0.098 0.000 1.131 281 R CA 1.571 57.734 56.100 0.105 0.000 0.960 281 R CB -0.363 29.988 30.300 0.084 0.000 0.856 281 R HN 0.084 nan 8.270 nan 0.000 0.436 282 V N 0.448 120.409 119.914 0.078 0.000 2.287 282 V HA -0.308 3.811 4.120 -0.002 0.000 0.248 282 V C 2.271 178.388 176.094 0.037 0.000 1.053 282 V CA 2.328 64.651 62.300 0.037 0.000 1.027 282 V CB -0.707 31.116 31.823 0.001 0.000 0.646 282 V HN 0.465 nan 8.190 nan 0.000 0.447 283 H N 0.224 119.267 119.070 -0.045 0.000 2.353 283 H HA -0.208 4.347 4.556 -0.002 0.000 0.298 283 H C 1.974 177.288 175.328 -0.023 0.000 1.103 283 H CA 2.247 58.244 56.048 -0.084 0.000 1.293 283 H CB -0.045 29.708 29.762 -0.015 0.000 1.372 283 H HN 0.412 nan 8.280 nan 0.000 0.501 284 D N -0.166 120.344 120.400 0.183 0.000 2.162 284 D HA -0.094 4.545 4.640 -0.002 0.000 0.203 284 D C 2.471 178.802 176.300 0.052 0.000 0.967 284 D CA 1.006 55.081 54.000 0.124 0.000 0.840 284 D CB -0.213 40.695 40.800 0.179 0.000 0.972 284 D HN 0.307 nan 8.370 nan 0.000 0.482 285 V N 1.705 121.665 119.914 0.077 0.000 2.255 285 V HA -0.268 3.851 4.120 -0.002 0.000 0.247 285 V C 2.584 178.791 176.094 0.189 0.000 1.051 285 V CA 1.925 64.305 62.300 0.134 0.000 1.018 285 V CB -0.881 31.021 31.823 0.132 0.000 0.641 285 V HN 0.177 nan 8.190 nan 0.000 0.445 286 A N -0.838 122.012 122.820 0.051 0.000 1.873 286 A HA -0.382 3.937 4.320 -0.002 0.000 0.218 286 A C 2.252 179.850 177.584 0.023 0.000 1.193 286 A CA 2.543 54.583 52.037 0.004 0.000 0.629 286 A CB -0.759 18.160 19.000 -0.135 0.000 0.826 286 A HN 0.613 nan 8.150 nan 0.000 0.447 287 Q N 0.020 119.765 119.800 -0.091 0.000 2.112 287 Q HA -0.227 4.112 4.340 -0.002 0.000 0.206 287 Q C 2.253 178.245 176.000 -0.012 0.000 0.987 287 Q CA 2.563 58.310 55.803 -0.093 0.000 0.858 287 Q CB -0.237 28.403 28.738 -0.162 0.000 0.905 287 Q HN 0.832 nan 8.270 nan 0.000 0.420 288 S N -1.055 114.650 115.700 0.008 0.000 2.447 288 S HA -0.095 4.374 4.470 -0.002 0.000 0.233 288 S C 1.344 175.878 174.600 -0.109 0.000 1.006 288 S CA 0.681 58.849 58.200 -0.053 0.000 0.957 288 S CB -0.341 62.804 63.200 -0.091 0.000 0.773 288 S HN 0.424 nan 8.310 nan 0.000 0.507 289 F N 1.995 121.920 119.950 -0.042 0.000 2.797 289 F HA 0.372 4.898 4.527 -0.002 0.000 0.302 289 F C 1.926 177.705 175.800 -0.035 0.000 1.130 289 F CA 0.197 58.176 58.000 -0.035 0.000 1.387 289 F CB -0.142 38.834 39.000 -0.040 0.000 1.107 289 F HN 0.396 nan 8.300 nan 0.000 0.577 290 G N 0.896 109.757 108.800 0.102 0.000 2.179 290 G HA2 -0.160 3.799 3.960 -0.002 0.000 0.257 290 G HA3 -0.160 3.799 3.960 -0.002 0.000 0.257 290 G C 0.140 175.069 174.900 0.048 0.000 1.010 290 G CA 0.092 45.224 45.100 0.054 0.000 0.736 290 G HN 0.648 nan 8.290 nan 0.000 0.513 291 A N 0.498 123.346 122.820 0.047 0.000 2.305 291 A HA 0.889 5.208 4.320 -0.002 0.000 0.322 291 A C -1.673 175.881 177.584 -0.049 0.000 1.187 291 A CA -1.442 50.594 52.037 -0.000 0.000 0.825 291 A CB 1.735 20.718 19.000 -0.029 0.000 1.164 291 A HN 0.199 nan 8.150 nan 0.000 0.498 292 P HA 0.412 nan 4.420 nan 0.000 0.281 292 P C -0.297 176.940 177.300 -0.106 0.000 1.249 292 P CA -0.139 62.928 63.100 -0.055 0.000 0.810 292 P CB 1.376 33.092 31.700 0.026 0.000 1.008 293 V N -0.755 119.032 119.914 -0.212 0.000 2.994 293 V HA 0.833 4.952 4.120 -0.002 0.000 0.318 293 V C -0.688 175.314 176.094 -0.153 0.000 1.085 293 V CA -0.833 61.269 62.300 -0.331 0.000 0.998 293 V CB 2.134 33.574 31.823 -0.639 0.000 1.063 293 V HN 0.802 nan 8.190 nan 0.000 0.447 294 W N 0.119 121.286 121.300 -0.222 0.000 3.062 294 W HA 0.649 5.308 4.660 -0.001 0.000 0.336 294 W C -1.302 175.359 176.519 0.237 0.000 1.224 294 W CA -1.425 55.960 57.345 0.068 0.000 1.159 294 W CB 1.139 30.651 29.460 0.086 0.000 1.454 294 W HN 0.866 nan 8.180 nan 0.000 0.569 295 C N 3.137 122.817 119.300 0.634 0.000 2.349 295 C HA 0.654 5.112 4.460 -0.002 0.000 0.348 295 C C 1.158 176.265 174.990 0.195 0.000 1.223 295 C CA 0.521 59.767 59.018 0.380 0.000 1.746 295 C CB -1.005 26.897 27.740 0.271 0.000 2.360 295 C HN 0.789 nan 8.230 nan 0.000 0.533 296 G N 4.156 112.884 108.800 -0.120 0.000 2.599 296 G HA2 0.568 4.527 3.960 -0.002 0.000 0.264 296 G HA3 0.568 4.527 3.960 -0.002 0.000 0.264 296 G C 0.077 174.977 174.900 0.001 0.000 1.200 296 G CA 0.131 45.166 45.100 -0.109 0.000 0.896 296 G HN 1.193 nan 8.290 nan 0.000 0.536 297 G N -0.999 107.805 108.800 0.007 0.000 2.519 297 G HA2 0.507 4.466 3.960 -0.002 0.000 0.307 297 G HA3 0.507 4.466 3.960 -0.002 0.000 0.307 297 G C -0.187 174.639 174.900 -0.124 0.000 1.266 297 G CA -0.629 44.446 45.100 -0.041 0.000 0.970 297 G HN 0.383 nan 8.290 nan 0.000 0.481 298 M N 2.164 121.673 119.600 -0.151 0.000 3.181 298 M HA 0.223 4.702 4.480 -0.002 0.000 0.422 298 M C 0.161 176.376 176.300 -0.142 0.000 1.481 298 M CA -0.504 54.686 55.300 -0.183 0.000 0.783 298 M CB 0.257 32.736 32.600 -0.202 0.000 1.437 298 M HN 0.514 nan 8.290 nan 0.000 0.505 299 L N 1.521 122.613 121.223 -0.218 0.000 3.608 299 L HA -0.222 4.117 4.340 -0.002 0.000 0.422 299 L C -0.414 176.443 176.870 -0.022 0.000 1.260 299 L CA 0.751 55.423 54.840 -0.281 0.000 0.889 299 L CB -1.322 40.651 42.059 -0.142 0.000 1.821 299 L HN 0.414 nan 8.230 nan 0.000 0.884 300 E N -0.285 119.900 120.200 -0.026 0.000 2.366 300 E HA 0.544 4.893 4.350 -0.002 0.000 0.266 300 E C 0.852 177.662 176.600 0.350 0.000 1.051 300 E CA 0.507 56.985 56.400 0.130 0.000 0.884 300 E CB 0.693 30.421 29.700 0.047 0.000 1.006 300 E HN 0.516 nan 8.360 nan 0.000 0.417 301 S N 1.035 116.850 115.700 0.192 0.000 2.612 301 S HA 0.106 4.575 4.470 -0.002 0.000 0.253 301 S C 1.523 176.157 174.600 0.057 0.000 1.346 301 S CA -0.220 57.944 58.200 -0.061 0.000 0.976 301 S CB 0.755 63.778 63.200 -0.295 0.000 0.949 301 S HN 0.636 nan 8.310 nan 0.000 0.584 302 G N 0.339 109.138 108.800 -0.001 0.000 2.475 302 G HA2 -0.146 3.813 3.960 -0.002 0.000 0.220 302 G HA3 -0.146 3.813 3.960 -0.002 0.000 0.220 302 G C 1.288 176.226 174.900 0.064 0.000 1.125 302 G CA 0.949 46.083 45.100 0.057 0.000 0.755 302 G HN 0.622 nan 8.290 nan 0.000 0.565 303 I N 1.731 122.331 120.570 0.050 0.000 2.099 303 I HA -0.124 4.045 4.170 -0.002 0.000 0.239 303 I C 3.079 179.318 176.117 0.204 0.000 1.066 303 I CA 1.670 63.034 61.300 0.108 0.000 1.324 303 I CB -1.597 36.454 38.000 0.085 0.000 1.037 303 I HN 0.240 nan 8.210 nan 0.000 0.401 304 G N 0.259 109.140 108.800 0.135 0.000 2.418 304 G HA2 -0.280 3.679 3.960 -0.002 0.000 0.217 304 G HA3 -0.280 3.679 3.960 -0.002 0.000 0.217 304 G C 1.919 176.899 174.900 0.133 0.000 1.158 304 G CA 0.805 45.979 45.100 0.122 0.000 0.771 304 G HN 0.310 nan 8.290 nan 0.000 0.545 305 R N 0.486 121.052 120.500 0.109 0.000 2.081 305 R HA 0.004 4.343 4.340 -0.002 0.000 0.235 305 R C 2.867 179.229 176.300 0.103 0.000 1.131 305 R CA 1.538 57.696 56.100 0.095 0.000 0.960 305 R CB -0.380 29.984 30.300 0.106 0.000 0.856 305 R HN 0.287 nan 8.270 nan 0.000 0.436 306 A N 0.442 123.327 122.820 0.109 0.000 1.902 306 A HA -0.193 4.126 4.320 -0.002 0.000 0.217 306 A C 1.930 179.593 177.584 0.131 0.000 1.181 306 A CA 1.501 53.600 52.037 0.104 0.000 0.623 306 A CB -0.891 18.140 19.000 0.051 0.000 0.818 306 A HN 0.467 nan 8.150 nan 0.000 0.443 307 H N 0.007 119.146 119.070 0.116 0.000 2.352 307 H HA -0.121 4.434 4.556 -0.002 0.000 0.299 307 H C 1.938 177.362 175.328 0.160 0.000 1.097 307 H CA 1.795 57.944 56.048 0.169 0.000 1.311 307 H CB -0.134 29.729 29.762 0.168 0.000 1.377 307 H HN 0.444 nan 8.280 nan 0.000 0.504 308 N N 0.786 119.602 118.700 0.194 0.000 2.120 308 N HA -0.107 4.632 4.740 -0.002 0.000 0.188 308 N C 2.193 177.693 175.510 -0.017 0.000 1.024 308 N CA 0.758 53.850 53.050 0.070 0.000 0.852 308 N CB -0.421 38.093 38.487 0.045 0.000 1.003 308 N HN 0.360 nan 8.380 nan 0.000 0.424 309 I N 0.417 120.987 120.570 -0.001 0.000 2.252 309 I HA -0.244 3.925 4.170 -0.002 0.000 0.245 309 I C 2.183 178.187 176.117 -0.188 0.000 1.102 309 I CA 0.969 62.212 61.300 -0.094 0.000 1.385 309 I CB -0.304 37.647 38.000 -0.081 0.000 1.064 309 I HN 0.261 nan 8.210 nan 0.000 0.414 310 H N 0.139 119.129 119.070 -0.134 0.000 2.321 310 H HA -0.190 4.365 4.556 -0.002 0.000 0.300 310 H C 2.215 177.394 175.328 -0.249 0.000 1.087 310 H CA 1.816 57.750 56.048 -0.190 0.000 1.319 310 H CB -0.213 29.412 29.762 -0.228 0.000 1.379 310 H HN 0.205 nan 8.280 nan 0.000 0.501 311 L N 0.978 122.132 121.223 -0.115 0.000 2.042 311 L HA -0.142 4.196 4.340 -0.002 0.000 0.210 311 L C 2.302 178.793 176.870 -0.631 0.000 1.076 311 L CA 1.442 56.137 54.840 -0.241 0.000 0.749 311 L CB -0.678 41.347 42.059 -0.057 0.000 0.893 311 L HN -0.009 nan 8.230 nan 0.000 0.432 312 S N -1.619 113.646 115.700 -0.725 0.000 2.465 312 S HA -0.197 4.272 4.470 -0.002 0.000 0.241 312 S C 1.953 176.251 174.600 -0.503 0.000 1.000 312 S CA 1.160 58.784 58.200 -0.961 0.000 0.964 312 S CB -0.877 62.051 63.200 -0.453 0.000 0.763 312 S HN 0.641 nan 8.310 nan 0.000 0.512 313 C N 1.177 120.272 119.300 -0.343 0.000 2.437 313 C HA 0.124 4.583 4.460 -0.002 0.000 0.283 313 C C 0.945 175.847 174.990 -0.146 0.000 1.424 313 C CA -0.496 58.394 59.018 -0.212 0.000 1.782 313 C CB -1.493 26.124 27.740 -0.205 0.000 1.833 313 C HN 0.340 nan 8.230 nan 0.000 0.532 314 L N 1.835 122.985 121.223 -0.121 0.000 2.485 314 L HA 0.053 4.392 4.340 -0.002 0.000 0.275 314 L C 1.766 178.806 176.870 0.282 0.000 1.207 314 L CA 0.774 55.615 54.840 0.001 0.000 0.855 314 L CB 0.263 42.170 42.059 -0.253 0.000 1.114 314 L HN 0.306 nan 8.230 nan 0.000 0.485 315 S N 0.983 116.841 115.700 0.263 0.000 2.419 315 S HA -0.159 4.309 4.470 -0.002 0.000 0.233 315 S C 1.267 176.020 174.600 0.254 0.000 1.016 315 S CA 1.203 59.526 58.200 0.205 0.000 0.974 315 S CB -0.465 62.814 63.200 0.132 0.000 0.786 315 S HN 0.777 nan 8.310 nan 0.000 0.492 316 N N -0.228 118.702 118.700 0.383 0.000 2.336 316 N HA 0.107 4.846 4.740 -0.002 0.000 0.189 316 N C -0.962 174.554 175.510 0.010 0.000 1.113 316 N CA -0.229 52.806 53.050 -0.025 0.000 0.858 316 N CB 0.021 38.158 38.487 -0.582 0.000 0.970 316 N HN 0.322 nan 8.380 nan 0.000 0.471 317 F N 1.339 121.400 119.950 0.185 0.000 2.679 317 F HA 0.210 4.736 4.527 -0.002 0.000 0.351 317 F C 1.453 177.326 175.800 0.123 0.000 1.279 317 F CA -0.047 58.048 58.000 0.159 0.000 1.227 317 F CB 0.295 39.382 39.000 0.145 0.000 1.623 317 F HN -0.127 nan 8.300 nan 0.000 0.666 318 R N 1.132 121.743 120.500 0.185 0.000 2.334 318 R HA 0.306 4.645 4.340 -0.002 0.000 0.216 318 R C -0.165 176.217 176.300 0.137 0.000 0.905 318 R CA 0.172 56.353 56.100 0.136 0.000 1.064 318 R CB 0.399 30.746 30.300 0.078 0.000 1.046 318 R HN 0.399 nan 8.270 nan 0.000 0.508 319 L N 0.490 121.827 121.223 0.191 0.000 2.341 319 L HA 0.506 4.845 4.340 -0.002 0.000 0.267 319 L C -2.384 174.597 176.870 0.184 0.000 1.009 319 L CA -2.657 52.269 54.840 0.144 0.000 0.819 319 L CB 1.999 44.124 42.059 0.111 0.000 1.323 319 L HN -0.233 nan 8.230 nan 0.000 0.425 320 P HA 0.157 nan 4.420 nan 0.000 0.269 320 P C -0.501 176.911 177.300 0.187 0.000 1.215 320 P CA -0.178 62.988 63.100 0.111 0.000 0.780 320 P CB 0.642 32.367 31.700 0.043 0.000 0.898 321 G N 0.241 109.192 108.800 0.252 0.000 2.489 321 G HA2 0.301 4.260 3.960 -0.002 0.000 0.327 321 G HA3 0.301 4.260 3.960 -0.002 0.000 0.327 321 G C -0.774 174.292 174.900 0.277 0.000 1.189 321 G CA -0.484 44.846 45.100 0.383 0.000 0.962 321 G HN 0.295 nan 8.290 nan 0.000 0.486 322 D N 1.215 121.811 120.400 0.327 0.000 2.994 322 D HA 0.159 4.798 4.640 -0.002 0.000 0.240 322 D C 0.898 177.288 176.300 0.150 0.000 1.195 322 D CA 0.189 54.319 54.000 0.217 0.000 0.957 322 D CB 0.170 41.109 40.800 0.231 0.000 1.105 322 D HN 0.383 nan 8.370 nan 0.000 0.477 323 T N -2.303 112.340 114.554 0.148 0.000 3.438 323 T HA 0.275 4.623 4.350 -0.002 0.000 0.244 323 T C 0.660 175.450 174.700 0.151 0.000 1.269 323 T CA -0.782 61.389 62.100 0.117 0.000 1.371 323 T CB 0.007 68.922 68.868 0.079 0.000 1.002 323 T HN 0.023 nan 8.240 nan 0.000 0.637 324 S N 1.133 116.960 115.700 0.212 0.000 2.641 324 S HA 0.503 4.972 4.470 -0.002 0.000 0.261 324 S C 0.431 175.186 174.600 0.258 0.000 1.257 324 S CA -0.676 57.679 58.200 0.259 0.000 0.983 324 S CB 0.333 63.716 63.200 0.304 0.000 0.990 324 S HN 0.463 nan 8.310 nan 0.000 0.572 325 S N 0.773 116.597 115.700 0.207 0.000 2.558 325 S HA 0.289 4.758 4.470 -0.002 0.000 0.293 325 S C 1.539 176.287 174.600 0.248 0.000 1.292 325 S CA -0.118 58.182 58.200 0.167 0.000 1.063 325 S CB 0.399 63.656 63.200 0.095 0.000 0.831 325 S HN 0.957 nan 8.310 nan 0.000 0.499 326 A N 3.370 126.341 122.820 0.252 0.000 1.972 326 A HA -0.103 4.216 4.320 -0.002 0.000 0.219 326 A C 2.301 180.063 177.584 0.296 0.000 1.169 326 A CA 1.651 53.909 52.037 0.368 0.000 0.635 326 A CB -1.012 18.191 19.000 0.339 0.000 0.810 326 A HN 0.939 nan 8.150 nan 0.000 0.446 327 S N 0.104 115.901 115.700 0.162 0.000 2.465 327 S HA -0.188 4.281 4.470 -0.002 0.000 0.241 327 S C 1.766 176.351 174.600 -0.026 0.000 1.000 327 S CA 1.164 59.414 58.200 0.082 0.000 0.964 327 S CB -0.507 62.721 63.200 0.047 0.000 0.763 327 S HN 0.665 nan 8.310 nan 0.000 0.512 328 R N -0.527 119.899 120.500 -0.124 0.000 2.189 328 R HA 0.055 4.394 4.340 -0.002 0.000 0.218 328 R C 1.211 177.128 176.300 -0.639 0.000 1.074 328 R CA 1.370 57.228 56.100 -0.404 0.000 0.991 328 R CB -0.277 29.671 30.300 -0.587 0.000 0.883 328 R HN 0.609 nan 8.270 nan 0.000 0.457 329 Y N -2.174 117.941 120.300 -0.308 0.000 2.581 329 Y HA 0.152 4.701 4.550 -0.002 0.000 0.271 329 Y C 0.288 175.750 175.900 -0.730 0.000 1.100 329 Y CA -0.475 57.205 58.100 -0.700 0.000 1.281 329 Y CB 0.497 38.265 38.460 -1.152 0.000 1.237 329 Y HN -0.059 nan 8.280 nan 0.000 0.514 330 W N 0.227 121.617 121.300 0.150 0.000 2.739 330 W HA 0.442 5.101 4.660 -0.001 0.000 0.331 330 W C 0.810 177.352 176.519 0.038 0.000 1.049 330 W CA -0.761 56.640 57.345 0.092 0.000 1.234 330 W CB 1.375 30.899 29.460 0.107 0.000 1.404 330 W HN -0.311 nan 8.180 nan 0.000 0.477 331 E N 1.445 121.791 120.200 0.243 0.000 2.110 331 E HA -0.098 4.251 4.350 -0.002 0.000 0.193 331 E C 0.175 176.829 176.600 0.089 0.000 0.988 331 E CA 1.231 57.705 56.400 0.123 0.000 0.804 331 E CB 0.202 29.955 29.700 0.088 0.000 0.745 331 E HN 0.354 nan 8.360 nan 0.000 0.458 332 R N 0.077 120.643 120.500 0.110 0.000 2.564 332 R HA 0.200 4.539 4.340 -0.002 0.000 0.284 332 R C -1.463 174.812 176.300 -0.042 0.000 1.031 332 R CA -0.617 55.425 56.100 -0.096 0.000 0.904 332 R CB 1.155 31.179 30.300 -0.459 0.000 1.199 332 R HN -0.077 nan 8.270 nan 0.000 0.443 333 D N 2.780 123.130 120.400 -0.084 0.000 2.340 333 D HA 0.173 4.812 4.640 -0.002 0.000 0.251 333 D C 0.637 176.922 176.300 -0.026 0.000 1.080 333 D CA -0.504 53.440 54.000 -0.093 0.000 0.971 333 D CB 1.464 42.259 40.800 -0.009 0.000 1.137 333 D HN 0.415 nan 8.370 nan 0.000 0.475 334 L N 0.537 121.760 121.223 -0.000 0.000 2.629 334 L HA 0.331 4.670 4.340 -0.002 0.000 0.230 334 L C 0.596 177.512 176.870 0.077 0.000 1.151 334 L CA -0.101 54.829 54.840 0.150 0.000 0.924 334 L CB -1.326 40.758 42.059 0.042 0.000 1.137 334 L HN 0.280 nan 8.230 nan 0.000 0.457 335 I N -4.088 116.497 120.570 0.025 0.000 2.750 335 I HA 0.436 4.605 4.170 -0.002 0.000 0.308 335 I C 0.691 176.813 176.117 0.008 0.000 1.016 335 I CA -0.780 60.532 61.300 0.021 0.000 1.098 335 I CB 1.565 39.574 38.000 0.014 0.000 1.279 335 I HN -0.073 nan 8.210 nan 0.000 0.454 336 Q N 1.029 120.835 119.800 0.010 0.000 2.167 336 Q HA -0.037 4.302 4.340 -0.002 0.000 0.202 336 Q C -0.354 175.644 176.000 -0.004 0.000 0.970 336 Q CA 1.237 57.039 55.803 -0.001 0.000 0.855 336 Q CB -0.029 28.712 28.738 0.005 0.000 0.911 336 Q HN 0.644 nan 8.270 nan 0.000 0.438 337 E N 1.770 121.972 120.200 0.004 0.000 2.249 337 E HA 0.168 4.517 4.350 -0.002 0.000 0.280 337 E C -2.356 174.253 176.600 0.016 0.000 1.016 337 E CA -2.173 54.232 56.400 0.008 0.000 0.830 337 E CB 0.636 30.343 29.700 0.012 0.000 1.081 337 E HN 0.031 nan 8.360 nan 0.000 0.395 338 P HA 0.136 nan 4.420 nan 0.000 0.280 338 P C -0.860 176.463 177.300 0.038 0.000 1.244 338 P CA -0.230 62.887 63.100 0.029 0.000 0.784 338 P CB 0.690 32.401 31.700 0.019 0.000 0.913 339 L N 3.517 124.777 121.223 0.061 0.000 2.313 339 L HA 0.388 4.726 4.340 -0.002 0.000 0.273 339 L C 0.385 177.298 176.870 0.072 0.000 1.028 339 L CA -0.205 54.673 54.840 0.063 0.000 0.871 339 L CB 0.757 42.866 42.059 0.084 0.000 1.242 339 L HN 0.201 nan 8.230 nan 0.000 0.434 340 E N 2.711 122.937 120.200 0.045 0.000 2.218 340 E HA 0.538 4.887 4.350 -0.002 0.000 0.263 340 E C -0.653 175.956 176.600 0.015 0.000 0.879 340 E CA -0.516 55.907 56.400 0.038 0.000 0.762 340 E CB 2.687 32.401 29.700 0.023 0.000 1.166 340 E HN 0.507 nan 8.360 nan 0.000 0.415 341 A N 2.422 125.250 122.820 0.013 0.000 2.340 341 A HA 0.557 4.876 4.320 -0.002 0.000 0.268 341 A C -0.168 177.376 177.584 -0.065 0.000 1.100 341 A CA -0.419 51.604 52.037 -0.023 0.000 0.803 341 A CB 0.683 19.672 19.000 -0.018 0.000 1.043 341 A HN 0.327 nan 8.150 nan 0.000 0.488 342 V N 2.105 121.972 119.914 -0.078 0.000 2.638 342 V HA 0.369 4.488 4.120 -0.002 0.000 0.306 342 V C 0.064 176.090 176.094 -0.114 0.000 1.052 342 V CA 0.165 62.411 62.300 -0.090 0.000 0.885 342 V CB 1.468 33.258 31.823 -0.056 0.000 0.999 342 V HN 1.135 nan 8.190 nan 0.000 0.424 343 D N 3.737 124.051 120.400 -0.144 0.000 2.737 343 D HA -0.185 4.454 4.640 -0.002 0.000 0.233 343 D C 1.197 177.401 176.300 -0.160 0.000 1.155 343 D CA 2.162 56.078 54.000 -0.140 0.000 0.667 343 D CB -1.032 39.720 40.800 -0.080 0.000 1.060 343 D HN 1.643 nan 8.370 nan 0.000 0.427 344 G N -1.465 107.182 108.800 -0.255 0.000 2.148 344 G HA2 -0.272 3.687 3.960 -0.002 0.000 0.254 344 G HA3 -0.272 3.687 3.960 -0.002 0.000 0.254 344 G C 0.194 175.045 174.900 -0.081 0.000 0.981 344 G CA 0.362 45.339 45.100 -0.206 0.000 0.670 344 G HN 0.582 nan 8.290 nan 0.000 0.528 345 L N -0.307 120.870 121.223 -0.076 0.000 2.376 345 L HA 0.697 5.036 4.340 -0.002 0.000 0.275 345 L C 0.019 176.869 176.870 -0.033 0.000 0.987 345 L CA -1.083 53.733 54.840 -0.039 0.000 0.828 345 L CB 1.873 43.910 42.059 -0.037 0.000 1.249 345 L HN 0.161 nan 8.230 nan 0.000 0.409 346 M N 7.302 126.892 119.600 -0.018 0.000 2.080 346 M HA 0.475 4.954 4.480 -0.002 0.000 0.350 346 M C -2.455 173.823 176.300 -0.036 0.000 1.173 346 M CA -2.151 53.140 55.300 -0.015 0.000 1.052 346 M CB 1.001 33.605 32.600 0.006 0.000 1.577 346 M HN 0.092 nan 8.290 nan 0.000 0.455 347 P HA 0.069 nan 4.420 nan 0.000 0.271 347 P C -0.875 176.377 177.300 -0.081 0.000 1.218 347 P CA -0.279 62.789 63.100 -0.052 0.000 0.780 347 P CB 0.378 32.055 31.700 -0.037 0.000 0.901 348 V N 5.179 125.020 119.914 -0.122 0.000 2.470 348 V HA 0.112 4.231 4.120 -0.002 0.000 0.276 348 V C -1.587 174.427 176.094 -0.134 0.000 1.040 348 V CA -1.242 60.929 62.300 -0.215 0.000 1.008 348 V CB 0.037 31.680 31.823 -0.299 0.000 0.990 348 V HN 0.587 nan 8.190 nan 0.000 0.477 349 P HA 0.163 nan 4.420 nan 0.000 0.267 349 P C -0.711 176.615 177.300 0.043 0.000 1.209 349 P CA -0.393 62.711 63.100 0.007 0.000 0.763 349 P CB 0.568 32.300 31.700 0.052 0.000 0.816 350 Q N 1.616 121.426 119.800 0.017 0.000 2.394 350 Q HA 0.576 4.915 4.340 -0.002 0.000 0.248 350 Q C 1.019 177.033 176.000 0.023 0.000 0.992 350 Q CA 0.539 56.352 55.803 0.017 0.000 0.888 350 Q CB 0.226 28.964 28.738 0.000 0.000 1.257 350 Q HN 0.859 nan 8.270 nan 0.000 0.462 351 G N 0.712 109.520 108.800 0.014 0.000 2.371 351 G HA2 0.010 3.969 3.960 -0.002 0.000 0.663 351 G HA3 0.010 3.969 3.960 -0.002 0.000 0.663 351 G C -2.998 171.884 174.900 -0.030 0.000 1.311 351 G CA -1.031 44.063 45.100 -0.011 0.000 0.985 351 G HN 0.542 nan 8.290 nan 0.000 0.566 352 P HA 0.488 nan 4.420 nan 0.000 0.274 352 P C 1.293 178.502 177.300 -0.151 0.000 1.237 352 P CA 1.507 64.549 63.100 -0.098 0.000 0.793 352 P CB 0.906 32.549 31.700 -0.096 0.000 0.977 353 G N 1.836 110.519 108.800 -0.196 0.000 2.611 353 G HA2 -0.369 3.590 3.960 -0.002 0.000 0.301 353 G HA3 -0.369 3.590 3.960 -0.002 0.000 0.301 353 G C 1.127 175.711 174.900 -0.528 0.000 1.233 353 G CA 1.376 46.309 45.100 -0.277 0.000 0.993 353 G HN 0.728 nan 8.290 nan 0.000 0.553 354 T N -0.919 113.319 114.554 -0.527 0.000 3.007 354 T HA 0.325 4.674 4.350 -0.002 0.000 0.270 354 T C 2.699 177.233 174.700 -0.276 0.000 1.107 354 T CA 1.851 63.551 62.100 -0.668 0.000 1.118 354 T CB -0.442 68.123 68.868 -0.505 0.000 0.889 354 T HN 2.783 nan 8.240 nan 0.000 0.506 355 G N 0.725 109.431 108.800 -0.157 0.000 2.168 355 G HA2 -0.198 3.761 3.960 -0.002 0.000 0.257 355 G HA3 -0.198 3.761 3.960 -0.002 0.000 0.257 355 G C 0.186 175.082 174.900 -0.006 0.000 0.997 355 G CA 0.560 45.650 45.100 -0.018 0.000 0.708 355 G HN 1.636 nan 8.290 nan 0.000 0.520 356 V N -3.572 116.322 119.914 -0.035 0.000 3.046 356 V HA 1.006 5.125 4.120 -0.002 0.000 0.316 356 V C -0.120 175.963 176.094 -0.018 0.000 1.104 356 V CA -0.210 62.082 62.300 -0.014 0.000 1.006 356 V CB 2.284 34.108 31.823 0.002 0.000 1.058 356 V HN 0.626 nan 8.190 nan 0.000 0.440 357 T N 3.332 117.884 114.554 -0.003 0.000 2.937 357 T HA 0.556 4.905 4.350 -0.002 0.000 0.297 357 T C -0.401 174.307 174.700 0.014 0.000 0.991 357 T CA -0.419 61.682 62.100 0.002 0.000 0.990 357 T CB 1.226 70.096 68.868 0.003 0.000 0.991 357 T HN 0.772 nan 8.240 nan 0.000 0.440 358 L N 2.773 124.007 121.223 0.018 0.000 2.525 358 L HA 0.122 4.461 4.340 -0.002 0.000 0.278 358 L C 0.772 177.668 176.870 0.043 0.000 1.218 358 L CA -0.082 54.776 54.840 0.030 0.000 0.878 358 L CB 0.321 42.395 42.059 0.026 0.000 1.127 358 L HN 0.655 nan 8.230 nan 0.000 0.492 359 D N 3.402 123.844 120.400 0.069 0.000 2.422 359 D HA 0.049 4.688 4.640 -0.002 0.000 0.227 359 D C 0.993 177.353 176.300 0.099 0.000 1.190 359 D CA -0.323 53.732 54.000 0.092 0.000 0.905 359 D CB 0.706 41.586 40.800 0.133 0.000 1.034 359 D HN 0.301 nan 8.370 nan 0.000 0.507 360 R N 2.509 123.047 120.500 0.063 0.000 2.148 360 R HA -0.057 4.282 4.340 -0.002 0.000 0.227 360 R C 1.493 177.816 176.300 0.039 0.000 1.103 360 R CA 0.734 56.859 56.100 0.042 0.000 0.983 360 R CB -0.001 30.321 30.300 0.036 0.000 0.874 360 R HN 0.620 nan 8.270 nan 0.000 0.451 361 E N -0.537 119.702 120.200 0.065 0.000 2.072 361 E HA -0.144 4.205 4.350 -0.002 0.000 0.190 361 E C 1.685 178.338 176.600 0.089 0.000 0.982 361 E CA 0.793 57.232 56.400 0.065 0.000 0.803 361 E CB -0.239 29.504 29.700 0.072 0.000 0.755 361 E HN 0.164 nan 8.360 nan 0.000 0.453 362 F N 1.953 121.899 119.950 -0.005 0.000 2.113 362 F HA -0.156 4.370 4.527 -0.002 0.000 0.297 362 F C 2.151 177.942 175.800 -0.015 0.000 1.103 362 F CA 0.748 58.743 58.000 -0.009 0.000 1.248 362 F CB -0.378 38.614 39.000 -0.014 0.000 0.999 362 F HN -0.042 nan 8.300 nan 0.000 0.475 363 L N 1.333 122.455 121.223 -0.168 0.000 2.021 363 L HA -0.193 4.146 4.340 -0.002 0.000 0.215 363 L C 2.452 179.181 176.870 -0.234 0.000 1.074 363 L CA 2.328 57.023 54.840 -0.242 0.000 0.760 363 L CB -1.574 40.440 42.059 -0.076 0.000 0.889 363 L HN 0.212 nan 8.230 nan 0.000 0.433 364 A N -1.470 121.268 122.820 -0.135 0.000 1.978 364 A HA -0.242 4.077 4.320 -0.002 0.000 0.220 364 A C 2.300 179.806 177.584 -0.131 0.000 1.170 364 A CA 2.276 54.253 52.037 -0.100 0.000 0.636 364 A CB -1.339 17.633 19.000 -0.047 0.000 0.810 364 A HN 0.673 nan 8.150 nan 0.000 0.448 365 T N -2.514 111.926 114.554 -0.189 0.000 3.072 365 T HA 0.075 4.423 4.350 -0.002 0.000 0.266 365 T C 0.966 175.539 174.700 -0.211 0.000 1.127 365 T CA 1.316 63.314 62.100 -0.169 0.000 1.107 365 T CB -0.347 68.449 68.868 -0.120 0.000 0.910 365 T HN 0.873 nan 8.240 nan 0.000 0.513 366 V N -2.431 117.301 119.914 -0.303 0.000 3.166 366 V HA 0.421 4.540 4.120 -0.002 0.000 0.332 366 V C 0.203 176.203 176.094 -0.156 0.000 1.434 366 V CA -0.689 61.472 62.300 -0.233 0.000 1.121 366 V CB -0.405 31.214 31.823 -0.340 0.000 1.062 366 V HN 0.192 nan 8.190 nan 0.000 0.489 367 T N 1.775 116.248 114.554 -0.136 0.000 2.749 367 T HA 0.321 4.670 4.350 -0.002 0.000 0.295 367 T C 0.909 175.570 174.700 -0.066 0.000 0.936 367 T CA 0.147 62.192 62.100 -0.092 0.000 1.060 367 T CB 1.595 70.416 68.868 -0.079 0.000 0.904 367 T HN 0.519 nan 8.240 nan 0.000 0.500 368 E N 1.539 121.708 120.200 -0.053 0.000 2.216 368 E HA 0.288 4.637 4.350 -0.002 0.000 0.192 368 E C 0.571 177.151 176.600 -0.034 0.000 0.973 368 E CA 0.047 56.421 56.400 -0.043 0.000 0.851 368 E CB 0.449 30.126 29.700 -0.039 0.000 0.804 368 E HN 0.665 nan 8.360 nan 0.000 0.477 369 A N 1.420 124.223 122.820 -0.029 0.000 2.547 369 A HA 0.437 4.756 4.320 -0.002 0.000 0.297 369 A C -1.410 176.165 177.584 -0.015 0.000 1.056 369 A CA -0.804 51.221 52.037 -0.020 0.000 0.688 369 A CB 1.535 20.527 19.000 -0.014 0.000 1.282 369 A HN 0.071 nan 8.150 nan 0.000 0.400 370 Q N 0.959 120.752 119.800 -0.012 0.000 2.462 370 Q HA 0.771 5.110 4.340 -0.002 0.000 0.285 370 Q C -1.317 174.679 176.000 -0.007 0.000 1.035 370 Q CA -0.818 54.983 55.803 -0.003 0.000 0.799 370 Q CB 2.241 30.975 28.738 -0.006 0.000 1.452 370 Q HN 0.904 nan 8.270 nan 0.000 0.404 371 E N 0.462 120.663 120.200 0.002 0.000 2.390 371 E HA 0.481 4.830 4.350 -0.002 0.000 0.280 371 E C -1.602 174.970 176.600 -0.046 0.000 0.992 371 E CA -0.864 55.507 56.400 -0.048 0.000 0.790 371 E CB 2.548 32.225 29.700 -0.039 0.000 1.248 371 E HN 0.658 nan 8.360 nan 0.000 0.447 372 E N 1.110 121.215 120.200 -0.159 0.000 2.266 372 E HA 0.398 4.747 4.350 -0.002 0.000 0.268 372 E C -1.629 174.810 176.600 -0.267 0.000 0.879 372 E CA -0.689 55.657 56.400 -0.089 0.000 0.762 372 E CB 1.586 31.260 29.700 -0.044 0.000 1.199 372 E HN 0.574 nan 8.360 nan 0.000 0.422 373 H N 1.700 120.797 119.070 0.044 0.000 2.637 373 H HA 0.544 5.099 4.556 -0.002 0.000 0.363 373 H C -0.437 174.921 175.328 0.049 0.000 1.131 373 H CA -0.670 55.403 56.048 0.040 0.000 1.183 373 H CB 1.610 31.398 29.762 0.043 0.000 1.637 373 H HN 0.301 nan 8.280 nan 0.000 0.531 374 R N 0.902 121.491 120.500 0.148 0.000 2.905 374 R HA 0.766 5.105 4.340 -0.002 0.000 0.260 374 R C -0.386 175.973 176.300 0.098 0.000 1.086 374 R CA -1.217 54.945 56.100 0.104 0.000 0.978 374 R CB 1.740 32.073 30.300 0.056 0.000 1.215 374 R HN 0.654 nan 8.270 nan 0.000 0.480 375 A N 0.000 122.865 122.820 0.076 0.000 2.254 375 A HA 0.000 4.319 4.320 -0.002 0.000 0.244 375 A CA 0.000 52.075 52.037 0.063 0.000 0.836 375 A CB 0.000 19.028 19.000 0.047 0.000 0.831 375 A HN 0.000 nan 8.150 nan 0.000 0.486