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 1ek4_1_C DATA FIRST_RESID 1 DATA SEQUENCE MKRVVITGLG IVSSIGNNQQ EVLASLREGR SGITFSQELK DSGMRSHVWG DATA SEQUENCE NVKLDTTGLI DRKVVRFMSD ASIYAFLSME QAIADAGLSP EAYQNNPRVG DATA SEQUENCE LIAGSGGGSP RFQVFGADAM RGPRGLKAVG PYVVTKAMAS GVSACLATPF DATA SEQUENCE KIHGVNYSIS SASATSAHCI GNAVEQIQLG KQDIVFAGGG EELCWEMACE DATA SEQUENCE FDAMGALSTK YNDTPEKASR TYDAHRDGFV IAGGGGMVVV EELEHALARG DATA SEQUENCE AHIYAEIVGY GATSDGADMV APSGEGAVRC MKMAMHGVDT PIDYLNSHGT DATA SEQUENCE STPVGDVKEL AAIREVFGDK SPAISATKAM TGHSLGAAGV QEAIYSLLML DATA SEQUENCE EHGFIAPSIN IEELDEQAAG LNIVTETTDR ELTTVMSNSF GFGGTNATLV DATA SEQUENCE MRKLKD 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.307 176.300 0.012 0.000 1.140 1 M CA 0.000 55.309 55.300 0.015 0.000 0.988 1 M CB 0.000 32.607 32.600 0.012 0.000 1.302 2 K N 1.743 122.149 120.400 0.009 0.000 2.258 2 K HA 0.424 4.744 4.320 -0.000 0.000 0.264 2 K C -0.431 176.171 176.600 0.004 0.000 1.007 2 K CA 0.178 56.468 56.287 0.004 0.000 0.941 2 K CB 0.497 32.996 32.500 -0.001 0.000 0.966 2 K HN 0.207 nan 8.250 nan 0.000 0.480 3 R N 0.642 121.143 120.500 0.001 0.000 2.486 3 R HA 0.477 4.817 4.340 -0.000 0.000 0.286 3 R C -0.813 175.480 176.300 -0.011 0.000 0.999 3 R CA -0.844 55.255 56.100 -0.002 0.000 0.993 3 R CB 1.176 31.475 30.300 -0.002 0.000 1.084 3 R HN 0.211 nan 8.270 nan 0.000 0.487 4 V N 3.292 123.197 119.914 -0.016 0.000 2.604 4 V HA 0.493 4.613 4.120 -0.000 0.000 0.305 4 V C -0.101 175.973 176.094 -0.033 0.000 1.043 4 V CA -0.749 61.532 62.300 -0.032 0.000 0.888 4 V CB 1.710 33.508 31.823 -0.041 0.000 0.995 4 V HN 0.628 nan 8.190 nan 0.000 0.429 5 V N 2.036 121.925 119.914 -0.042 0.000 3.141 5 V HA 0.695 4.815 4.120 -0.000 0.000 0.312 5 V C -0.712 175.357 176.094 -0.041 0.000 1.157 5 V CA -0.991 61.288 62.300 -0.036 0.000 1.041 5 V CB 2.389 34.191 31.823 -0.035 0.000 1.071 5 V HN 0.654 nan 8.190 nan 0.000 0.441 6 I N 2.009 122.571 120.570 -0.013 0.000 2.339 6 I HA 0.459 4.628 4.170 -0.000 0.000 0.290 6 I C 0.896 177.077 176.117 0.107 0.000 0.994 6 I CA -0.045 61.261 61.300 0.009 0.000 1.191 6 I CB 2.112 40.108 38.000 -0.007 0.000 1.343 6 I HN 0.984 nan 8.210 nan 0.000 0.458 7 T N 0.662 115.267 114.554 0.085 0.000 3.084 7 T HA 0.463 4.813 4.350 -0.000 0.000 0.270 7 T C 0.366 175.206 174.700 0.233 0.000 1.008 7 T CA -0.406 61.768 62.100 0.124 0.000 0.900 7 T CB 0.456 69.340 68.868 0.027 0.000 1.084 7 T HN 0.741 nan 8.240 nan 0.000 0.538 8 G N 1.351 110.294 108.800 0.239 0.000 2.616 8 G HA2 0.549 4.509 3.960 -0.000 0.000 0.294 8 G HA3 0.549 4.509 3.960 -0.000 0.000 0.294 8 G C -2.091 172.831 174.900 0.036 0.000 1.489 8 G CA -0.904 44.327 45.100 0.218 0.000 0.836 8 G HN 0.657 nan 8.290 nan 0.000 0.527 9 L N -1.311 119.910 121.223 -0.003 0.000 2.469 9 L HA 1.063 5.403 4.340 -0.000 0.000 0.256 9 L C -0.058 176.777 176.870 -0.058 0.000 1.006 9 L CA -0.867 53.910 54.840 -0.104 0.000 0.832 9 L CB 1.784 43.685 42.059 -0.263 0.000 1.421 9 L HN 1.345 nan 8.230 nan 0.000 0.410 10 G N 0.601 109.357 108.800 -0.073 0.000 2.746 10 G HA2 0.761 4.721 3.960 -0.000 0.000 0.297 10 G HA3 0.761 4.721 3.960 -0.000 0.000 0.297 10 G C -2.083 172.783 174.900 -0.057 0.000 1.426 10 G CA -0.606 44.463 45.100 -0.051 0.000 0.989 10 G HN 1.040 nan 8.290 nan 0.000 0.520 11 I N 0.670 121.219 120.570 -0.035 0.000 2.787 11 I HA 0.612 4.782 4.170 -0.000 0.000 0.294 11 I C -1.576 174.528 176.117 -0.022 0.000 1.365 11 I CA -0.946 60.329 61.300 -0.041 0.000 1.029 11 I CB 2.329 40.297 38.000 -0.053 0.000 1.313 11 I HN 0.364 nan 8.210 nan 0.000 0.431 12 V N 6.300 126.187 119.914 -0.045 0.000 2.419 12 V HA 0.583 4.703 4.120 -0.000 0.000 0.287 12 V C -0.291 175.715 176.094 -0.148 0.000 1.017 12 V CA -0.201 62.053 62.300 -0.078 0.000 0.844 12 V CB 1.307 33.089 31.823 -0.068 0.000 1.011 12 V HN 0.834 nan 8.190 nan 0.000 0.429 13 S N 2.299 117.939 115.700 -0.101 0.000 2.732 13 S HA 0.471 4.941 4.470 -0.000 0.000 0.293 13 S C 1.139 175.682 174.600 -0.095 0.000 1.159 13 S CA 0.085 58.230 58.200 -0.092 0.000 0.847 13 S CB 1.738 64.966 63.200 0.047 0.000 1.169 13 S HN 0.891 nan 8.310 nan 0.000 0.501 14 S N 0.337 115.988 115.700 -0.081 0.000 2.442 14 S HA -0.072 4.398 4.470 -0.000 0.000 0.236 14 S C 1.410 175.984 174.600 -0.043 0.000 1.007 14 S CA 1.032 59.186 58.200 -0.076 0.000 0.965 14 S CB -1.135 62.030 63.200 -0.058 0.000 0.773 14 S HN 1.004 nan 8.310 nan 0.000 0.504 15 I N -2.452 118.101 120.570 -0.028 0.000 3.927 15 I HA 0.679 4.849 4.170 -0.000 0.000 0.332 15 I C 0.544 176.649 176.117 -0.021 0.000 1.485 15 I CA -0.430 60.849 61.300 -0.035 0.000 1.131 15 I CB 0.159 38.113 38.000 -0.076 0.000 1.092 15 I HN 0.293 nan 8.210 nan 0.000 0.410 16 G N 1.079 109.872 108.800 -0.013 0.000 2.386 16 G HA2 0.037 3.997 3.960 -0.000 0.000 0.302 16 G HA3 0.037 3.997 3.960 -0.000 0.000 0.302 16 G C -0.866 174.030 174.900 -0.006 0.000 1.629 16 G CA -0.642 44.456 45.100 -0.004 0.000 0.917 16 G HN 0.007 nan 8.290 nan 0.000 0.676 17 N N 0.437 119.135 118.700 -0.004 0.000 2.270 17 N HA 0.106 4.846 4.740 -0.000 0.000 0.198 17 N C 0.487 176.003 175.510 0.010 0.000 1.117 17 N CA 0.556 53.604 53.050 -0.002 0.000 0.845 17 N CB 0.155 38.644 38.487 0.004 0.000 0.980 17 N HN 0.850 nan 8.380 nan 0.000 0.486 18 N N -1.349 117.360 118.700 0.015 0.000 3.046 18 N HA -0.018 4.722 4.740 -0.000 0.000 0.243 18 N C 0.299 175.827 175.510 0.030 0.000 1.452 18 N CA -0.481 52.581 53.050 0.020 0.000 0.882 18 N CB 0.938 39.438 38.487 0.021 0.000 1.425 18 N HN -0.192 nan 8.380 nan 0.000 0.517 19 Q N -0.218 119.604 119.800 0.037 0.000 2.226 19 Q HA -0.185 4.155 4.340 -0.000 0.000 0.204 19 Q C 1.027 177.055 176.000 0.047 0.000 0.975 19 Q CA 1.670 57.507 55.803 0.056 0.000 0.866 19 Q CB -0.192 28.590 28.738 0.072 0.000 0.915 19 Q HN 0.540 nan 8.270 nan 0.000 0.440 20 Q N 1.261 121.077 119.800 0.027 0.000 2.046 20 Q HA -0.111 4.229 4.340 -0.000 0.000 0.200 20 Q C 1.796 177.784 176.000 -0.019 0.000 0.975 20 Q CA 1.993 57.795 55.803 -0.003 0.000 0.836 20 Q CB 0.017 28.753 28.738 -0.003 0.000 0.896 20 Q HN 0.592 nan 8.270 nan 0.000 0.428 21 E N -0.502 119.694 120.200 -0.007 0.000 2.106 21 E HA -0.132 4.218 4.350 -0.000 0.000 0.192 21 E C 1.968 178.559 176.600 -0.015 0.000 0.984 21 E CA 1.235 57.626 56.400 -0.015 0.000 0.806 21 E CB -0.021 29.675 29.700 -0.007 0.000 0.750 21 E HN 0.113 nan 8.360 nan 0.000 0.458 22 V N 1.599 121.521 119.914 0.013 0.000 2.343 22 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 22 V C 2.314 178.416 176.094 0.013 0.000 1.051 22 V CA 1.398 63.717 62.300 0.032 0.000 1.036 22 V CB -0.415 31.481 31.823 0.122 0.000 0.654 22 V HN 0.226 nan 8.190 nan 0.000 0.451 23 L N 1.110 122.340 121.223 0.012 0.000 2.012 23 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 23 L C 2.455 179.253 176.870 -0.120 0.000 1.073 23 L CA 2.558 57.382 54.840 -0.027 0.000 0.748 23 L CB -1.088 40.899 42.059 -0.120 0.000 0.891 23 L HN 0.227 nan 8.230 nan 0.000 0.431 24 A N -1.469 121.281 122.820 -0.118 0.000 1.883 24 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 24 A C 2.398 179.911 177.584 -0.118 0.000 1.186 24 A CA 2.109 54.066 52.037 -0.133 0.000 0.624 24 A CB -1.082 17.861 19.000 -0.095 0.000 0.822 24 A HN 0.552 nan 8.150 nan 0.000 0.444 25 S N -0.178 115.471 115.700 -0.085 0.000 2.368 25 S HA -0.105 4.365 4.470 -0.000 0.000 0.225 25 S C 1.835 176.380 174.600 -0.091 0.000 1.030 25 S CA 1.481 59.632 58.200 -0.082 0.000 0.999 25 S CB -0.470 62.685 63.200 -0.076 0.000 0.844 25 S HN 0.505 nan 8.310 nan 0.000 0.459 26 L N 0.702 121.878 121.223 -0.079 0.000 2.046 26 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 26 L C 2.733 179.590 176.870 -0.021 0.000 1.077 26 L CA 1.275 56.105 54.840 -0.017 0.000 0.747 26 L CB -0.404 41.740 42.059 0.142 0.000 0.896 26 L HN 0.210 nan 8.230 nan 0.000 0.432 27 R N -0.026 120.347 120.500 -0.212 0.000 2.115 27 R HA -0.133 4.207 4.340 -0.000 0.000 0.230 27 R C 1.799 177.990 176.300 -0.181 0.000 1.111 27 R CA 1.130 57.014 56.100 -0.361 0.000 0.976 27 R CB -0.020 29.954 30.300 -0.543 0.000 0.870 27 R HN 0.447 nan 8.270 nan 0.000 0.445 28 E N -0.887 119.234 120.200 -0.133 0.000 2.479 28 E HA 0.078 4.428 4.350 -0.000 0.000 0.193 28 E C 0.526 177.091 176.600 -0.059 0.000 1.049 28 E CA 0.269 56.616 56.400 -0.089 0.000 0.870 28 E CB 0.705 30.356 29.700 -0.082 0.000 0.944 28 E HN 0.437 nan 8.360 nan 0.000 0.492 29 G N 2.932 111.700 108.800 -0.053 0.000 2.273 29 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.280 29 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.280 29 G C 0.062 174.938 174.900 -0.041 0.000 1.047 29 G CA 0.471 45.548 45.100 -0.038 0.000 0.869 29 G HN 0.215 nan 8.290 nan 0.000 0.502 30 R N 0.230 120.700 120.500 -0.050 0.000 2.340 30 R HA 0.472 4.812 4.340 -0.000 0.000 0.300 30 R C 0.722 176.998 176.300 -0.040 0.000 1.069 30 R CA 0.237 56.313 56.100 -0.041 0.000 0.984 30 R CB 0.559 30.833 30.300 -0.043 0.000 1.003 30 R HN 0.263 nan 8.270 nan 0.000 0.459 31 S N 1.845 117.532 115.700 -0.022 0.000 2.580 31 S HA 0.278 4.748 4.470 -0.000 0.000 0.274 31 S C 0.835 175.433 174.600 -0.002 0.000 1.329 31 S CA -0.183 58.009 58.200 -0.012 0.000 1.036 31 S CB 1.273 64.476 63.200 0.004 0.000 0.919 31 S HN 0.782 nan 8.310 nan 0.000 0.515 32 G N 3.612 112.412 108.800 0.001 0.000 3.324 32 G HA2 0.243 4.203 3.960 -0.000 0.000 0.251 32 G HA3 0.243 4.203 3.960 -0.000 0.000 0.251 32 G C 0.057 174.986 174.900 0.049 0.000 1.072 32 G CA -0.256 44.850 45.100 0.010 0.000 0.787 32 G HN 0.598 nan 8.290 nan 0.000 0.537 33 I N 2.671 123.284 120.570 0.072 0.000 2.428 33 I HA 0.386 4.556 4.170 -0.000 0.000 0.289 33 I C 0.641 176.860 176.117 0.169 0.000 1.019 33 I CA -0.273 61.106 61.300 0.132 0.000 1.351 33 I CB 0.544 38.614 38.000 0.117 0.000 1.412 33 I HN 0.088 nan 8.210 nan 0.000 0.513 34 T N 2.686 117.397 114.554 0.262 0.000 2.865 34 T HA 0.539 4.889 4.350 -0.000 0.000 0.294 34 T C -0.543 174.317 174.700 0.268 0.000 1.119 34 T CA -0.737 61.525 62.100 0.270 0.000 1.007 34 T CB 1.802 70.844 68.868 0.290 0.000 1.225 34 T HN 0.214 nan 8.240 nan 0.000 0.515 35 F N 1.667 121.670 119.950 0.089 0.000 2.429 35 F HA 0.569 5.096 4.527 -0.000 0.000 0.348 35 F C 0.433 176.154 175.800 -0.132 0.000 1.109 35 F CA -0.165 57.832 58.000 -0.006 0.000 1.232 35 F CB 0.964 39.968 39.000 0.006 0.000 1.157 35 F HN 0.689 nan 8.300 nan 0.000 0.564 36 S N 4.783 119.670 115.700 -1.355 0.000 2.566 36 S HA 0.197 4.667 4.470 -0.000 0.000 0.324 36 S C 0.497 174.274 174.600 -1.371 0.000 1.081 36 S CA -0.665 56.693 58.200 -1.404 0.000 1.105 36 S CB 1.340 63.207 63.200 -2.221 0.000 0.981 36 S HN 0.880 nan 8.310 nan 0.000 0.464 37 Q N 3.441 122.789 119.800 -0.753 0.000 2.167 37 Q HA -0.051 4.289 4.340 -0.000 0.000 0.202 37 Q C 1.747 177.521 176.000 -0.377 0.000 0.970 37 Q CA 2.083 57.655 55.803 -0.384 0.000 0.855 37 Q CB -0.135 28.582 28.738 -0.034 0.000 0.911 37 Q HN 0.910 nan 8.270 nan 0.000 0.438 38 E N -0.437 119.533 120.200 -0.385 0.000 2.031 38 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 38 E C 1.799 178.225 176.600 -0.290 0.000 0.994 38 E CA 1.333 57.591 56.400 -0.236 0.000 0.800 38 E CB -0.186 29.480 29.700 -0.056 0.000 0.752 38 E HN 0.450 nan 8.360 nan 0.000 0.447 39 L N 0.639 121.583 121.223 -0.466 0.000 2.046 39 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 39 L C 2.854 179.546 176.870 -0.297 0.000 1.077 39 L CA 1.480 56.146 54.840 -0.289 0.000 0.747 39 L CB -0.511 41.350 42.059 -0.330 0.000 0.896 39 L HN 0.166 nan 8.230 nan 0.000 0.432 40 K N 0.279 120.371 120.400 -0.513 0.000 2.026 40 K HA -0.200 4.120 4.320 -0.000 0.000 0.208 40 K C 1.668 178.055 176.600 -0.354 0.000 1.048 40 K CA 1.771 57.673 56.287 -0.642 0.000 0.929 40 K CB 0.014 32.059 32.500 -0.760 0.000 0.713 40 K HN 0.175 nan 8.250 nan 0.000 0.439 41 D N 0.262 120.483 120.400 -0.297 0.000 2.218 41 D HA -0.131 4.509 4.640 -0.000 0.000 0.204 41 D C 1.911 178.035 176.300 -0.294 0.000 0.976 41 D CA 1.493 55.348 54.000 -0.241 0.000 0.853 41 D CB -0.144 40.534 40.800 -0.203 0.000 0.939 41 D HN 0.363 nan 8.370 nan 0.000 0.481 42 S N -0.935 114.546 115.700 -0.364 0.000 2.474 42 S HA 0.086 4.556 4.470 -0.000 0.000 0.235 42 S C 1.785 176.209 174.600 -0.294 0.000 0.997 42 S CA 1.107 59.005 58.200 -0.503 0.000 0.949 42 S CB 0.142 63.019 63.200 -0.537 0.000 0.766 42 S HN 0.330 nan 8.310 nan 0.000 0.517 43 G N 0.475 109.171 108.800 -0.175 0.000 2.163 43 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.213 43 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.213 43 G C 0.017 174.917 174.900 0.000 0.000 0.991 43 G CA 0.049 45.099 45.100 -0.083 0.000 0.653 43 G HN 0.480 nan 8.290 nan 0.000 0.518 44 M N -0.522 119.095 119.600 0.029 0.000 2.163 44 M HA 0.435 4.915 4.480 -0.000 0.000 0.305 44 M C 1.813 178.216 176.300 0.172 0.000 1.166 44 M CA 0.052 55.410 55.300 0.096 0.000 1.132 44 M CB 0.528 33.194 32.600 0.111 0.000 1.413 44 M HN 0.124 nan 8.290 nan 0.000 0.478 45 R N -0.509 120.032 120.500 0.069 0.000 2.237 45 R HA 0.127 4.467 4.340 -0.000 0.000 0.195 45 R C 0.365 176.504 176.300 -0.269 0.000 0.956 45 R CA 0.131 56.194 56.100 -0.062 0.000 1.029 45 R CB 0.369 30.637 30.300 -0.054 0.000 0.972 45 R HN 0.557 nan 8.270 nan 0.000 0.493 46 S N 0.416 116.063 115.700 -0.088 0.000 2.452 46 S HA 0.149 4.619 4.470 -0.000 0.000 0.284 46 S C -0.107 174.515 174.600 0.036 0.000 1.171 46 S CA -0.583 57.562 58.200 -0.091 0.000 1.064 46 S CB 0.340 63.527 63.200 -0.023 0.000 0.967 46 S HN 0.338 nan 8.310 nan 0.000 0.484 47 H N 2.899 121.921 119.070 -0.079 0.000 2.512 47 H HA 0.333 4.889 4.556 -0.000 0.000 0.276 47 H C -0.007 175.122 175.328 -0.331 0.000 1.126 47 H CA -0.581 55.320 56.048 -0.245 0.000 1.060 47 H CB 0.546 30.245 29.762 -0.105 0.000 1.646 47 H HN 0.455 nan 8.280 nan 0.000 0.571 48 V N -1.666 118.215 119.914 -0.055 0.000 2.823 48 V HA 0.626 4.746 4.120 -0.000 0.000 0.312 48 V C -1.329 174.846 176.094 0.136 0.000 1.072 48 V CA -0.920 61.381 62.300 0.002 0.000 0.937 48 V CB 2.108 34.004 31.823 0.122 0.000 1.013 48 V HN 0.389 nan 8.190 nan 0.000 0.430 49 W N 1.487 122.805 121.300 0.031 0.000 3.066 49 W HA 0.837 5.497 4.660 -0.000 0.000 0.330 49 W C -0.328 176.212 176.519 0.035 0.000 1.253 49 W CA -1.776 55.590 57.345 0.036 0.000 1.187 49 W CB 0.909 30.385 29.460 0.027 0.000 1.434 49 W HN 1.034 nan 8.180 nan 0.000 0.572 50 G N 2.030 110.936 108.800 0.177 0.000 2.922 50 G HA2 0.398 4.358 3.960 -0.000 0.000 0.335 50 G HA3 0.398 4.358 3.960 -0.000 0.000 0.335 50 G C -0.510 174.264 174.900 -0.210 0.000 1.016 50 G CA -0.830 44.279 45.100 0.015 0.000 1.306 50 G HN 0.627 nan 8.290 nan 0.000 0.465 51 N N 0.120 118.609 118.700 -0.352 0.000 2.515 51 N HA 0.426 5.166 4.740 -0.000 0.000 0.279 51 N C -0.431 174.906 175.510 -0.288 0.000 1.164 51 N CA -0.894 51.836 53.050 -0.534 0.000 0.982 51 N CB 2.062 40.109 38.487 -0.733 0.000 1.170 51 N HN -0.006 nan 8.380 nan 0.000 0.474 52 V N 1.709 121.438 119.914 -0.308 0.000 2.427 52 V HA 0.054 4.173 4.120 -0.000 0.000 0.268 52 V C 0.220 176.243 176.094 -0.120 0.000 1.046 52 V CA -0.480 61.675 62.300 -0.242 0.000 0.970 52 V CB 0.480 32.065 31.823 -0.397 0.000 1.001 52 V HN 0.695 nan 8.190 nan 0.000 0.476 53 K N 6.063 126.421 120.400 -0.072 0.000 2.278 53 K HA 0.429 4.749 4.320 -0.000 0.000 0.237 53 K C -0.788 175.810 176.600 -0.003 0.000 1.229 53 K CA -0.148 56.127 56.287 -0.019 0.000 1.155 53 K CB 0.053 32.551 32.500 -0.004 0.000 1.590 53 K HN 0.469 nan 8.250 nan 0.000 0.290 54 L N 0.450 121.681 121.223 0.012 0.000 2.592 54 L HA 0.289 4.629 4.340 -0.000 0.000 0.258 54 L C -1.806 175.096 176.870 0.054 0.000 0.926 54 L CA -0.474 54.386 54.840 0.033 0.000 0.885 54 L CB 2.262 44.343 42.059 0.037 0.000 1.380 54 L HN 0.144 nan 8.230 nan 0.000 0.415 55 D N 1.895 122.323 120.400 0.046 0.000 2.380 55 D HA 0.269 4.909 4.640 -0.000 0.000 0.230 55 D C 1.005 177.331 176.300 0.043 0.000 1.154 55 D CA 0.453 54.479 54.000 0.043 0.000 0.859 55 D CB 1.442 42.261 40.800 0.032 0.000 1.045 55 D HN 0.702 nan 8.370 nan 0.000 0.495 56 T N 0.023 114.606 114.554 0.048 0.000 3.160 56 T HA -0.008 4.342 4.350 -0.000 0.000 0.257 56 T C 0.864 175.564 174.700 -0.000 0.000 1.147 56 T CA -0.116 62.005 62.100 0.036 0.000 1.064 56 T CB -0.463 68.427 68.868 0.037 0.000 0.949 56 T HN 0.264 nan 8.240 nan 0.000 0.526 57 T N 2.365 116.916 114.554 -0.004 0.000 2.905 57 T HA 0.378 4.728 4.350 -0.000 0.000 0.299 57 T C 1.566 176.254 174.700 -0.021 0.000 1.024 57 T CA 0.879 62.966 62.100 -0.020 0.000 1.151 57 T CB -0.006 68.855 68.868 -0.012 0.000 0.987 57 T HN 0.738 nan 8.240 nan 0.000 0.535 58 G N 2.488 111.264 108.800 -0.040 0.000 2.196 58 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.268 58 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.268 58 G C 0.849 175.732 174.900 -0.028 0.000 0.975 58 G CA 0.469 45.547 45.100 -0.037 0.000 0.648 58 G HN 0.704 nan 8.290 nan 0.000 0.538 59 L N -0.504 120.706 121.223 -0.022 0.000 2.418 59 L HA 0.364 4.703 4.340 -0.000 0.000 0.218 59 L C 1.265 178.130 176.870 -0.008 0.000 1.125 59 L CA 0.614 55.458 54.840 0.007 0.000 0.835 59 L CB -0.032 42.050 42.059 0.038 0.000 0.953 59 L HN 0.290 nan 8.230 nan 0.000 0.454 60 I N -0.967 119.548 120.570 -0.092 0.000 2.569 60 I HA 0.163 4.333 4.170 -0.000 0.000 0.296 60 I C -0.357 175.652 176.117 -0.180 0.000 1.028 60 I CA -0.939 60.242 61.300 -0.199 0.000 1.082 60 I CB 2.227 39.959 38.000 -0.447 0.000 1.264 60 I HN -0.167 nan 8.210 nan 0.000 0.429 61 D N 3.548 123.849 120.400 -0.166 0.000 2.525 61 D HA -0.010 4.630 4.640 -0.000 0.000 0.235 61 D C 1.301 177.508 176.300 -0.155 0.000 1.137 61 D CA 0.447 54.371 54.000 -0.126 0.000 0.868 61 D CB 0.927 41.667 40.800 -0.099 0.000 1.180 61 D HN 0.395 nan 8.370 nan 0.000 0.465 62 R N 2.728 123.152 120.500 -0.127 0.000 2.112 62 R HA -0.208 4.132 4.340 -0.000 0.000 0.242 62 R C 1.835 178.027 176.300 -0.180 0.000 1.137 62 R CA 1.622 57.633 56.100 -0.149 0.000 0.944 62 R CB -0.231 30.000 30.300 -0.115 0.000 0.857 62 R HN 0.510 nan 8.270 nan 0.000 0.435 63 K N 0.264 120.588 120.400 -0.126 0.000 2.209 63 K HA -0.074 4.246 4.320 -0.000 0.000 0.204 63 K C 2.007 178.584 176.600 -0.038 0.000 1.048 63 K CA 1.127 57.358 56.287 -0.094 0.000 0.940 63 K CB 0.088 32.574 32.500 -0.023 0.000 0.729 63 K HN 0.068 nan 8.250 nan 0.000 0.451 64 V N 0.224 120.088 119.914 -0.083 0.000 2.500 64 V HA -0.106 4.014 4.120 -0.000 0.000 0.243 64 V C 1.966 177.984 176.094 -0.128 0.000 1.039 64 V CA 0.922 63.180 62.300 -0.070 0.000 1.053 64 V CB 0.223 31.923 31.823 -0.206 0.000 0.695 64 V HN 0.085 nan 8.190 nan 0.000 0.463 65 V N 2.275 122.036 119.914 -0.255 0.000 2.970 65 V HA -0.162 3.958 4.120 -0.000 0.000 0.260 65 V C 2.716 178.611 176.094 -0.331 0.000 1.100 65 V CA 1.840 63.964 62.300 -0.295 0.000 1.122 65 V CB -0.651 30.996 31.823 -0.293 0.000 0.721 65 V HN 0.703 nan 8.190 nan 0.000 0.483 66 R N -0.971 119.259 120.500 -0.450 0.000 2.193 66 R HA -0.116 4.223 4.340 -0.000 0.000 0.229 66 R C 1.734 177.507 176.300 -0.879 0.000 1.110 66 R CA 1.992 57.621 56.100 -0.785 0.000 0.988 66 R CB -0.665 28.933 30.300 -1.169 0.000 0.871 66 R HN 0.510 nan 8.270 nan 0.000 0.458 67 F N 0.894 120.600 119.950 -0.408 0.000 2.776 67 F HA 0.339 4.866 4.527 -0.000 0.000 0.300 67 F C 0.862 176.512 175.800 -0.251 0.000 1.116 67 F CA -0.256 57.598 58.000 -0.244 0.000 1.375 67 F CB 0.191 39.115 39.000 -0.126 0.000 1.109 67 F HN -0.121 nan 8.300 nan 0.000 0.585 68 M N -0.109 119.396 119.600 -0.159 0.000 2.423 68 M HA 0.351 4.831 4.480 -0.000 0.000 0.335 68 M C 0.342 176.447 176.300 -0.324 0.000 1.177 68 M CA -0.647 54.534 55.300 -0.198 0.000 1.038 68 M CB 1.634 34.125 32.600 -0.181 0.000 1.641 68 M HN -0.037 nan 8.290 nan 0.000 0.455 69 S N -0.471 115.079 115.700 -0.250 0.000 2.745 69 S HA 0.364 4.834 4.470 -0.000 0.000 0.292 69 S C 0.248 174.757 174.600 -0.152 0.000 1.133 69 S CA -0.838 57.248 58.200 -0.190 0.000 0.998 69 S CB 1.163 64.334 63.200 -0.048 0.000 1.087 69 S HN 0.671 nan 8.310 nan 0.000 0.551 70 D N 1.206 121.524 120.400 -0.137 0.000 2.133 70 D HA -0.078 4.562 4.640 -0.000 0.000 0.195 70 D C 2.198 178.183 176.300 -0.525 0.000 0.997 70 D CA 1.891 55.629 54.000 -0.436 0.000 0.840 70 D CB -0.906 39.639 40.800 -0.425 0.000 0.947 70 D HN 0.687 nan 8.370 nan 0.000 0.452 71 A N 0.501 123.211 122.820 -0.183 0.000 1.892 71 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 71 A C 2.456 180.035 177.584 -0.008 0.000 1.188 71 A CA 2.161 54.187 52.037 -0.019 0.000 0.631 71 A CB -0.655 18.371 19.000 0.043 0.000 0.822 71 A HN 0.198 nan 8.150 nan 0.000 0.447 72 S N -0.413 115.266 115.700 -0.036 0.000 2.383 72 S HA -0.050 4.420 4.470 -0.000 0.000 0.227 72 S C 1.790 176.411 174.600 0.035 0.000 1.026 72 S CA 1.267 59.477 58.200 0.017 0.000 0.981 72 S CB -0.448 62.749 63.200 -0.005 0.000 0.818 72 S HN 0.536 nan 8.310 nan 0.000 0.472 73 I N 0.388 120.897 120.570 -0.100 0.000 2.179 73 I HA -0.207 3.963 4.170 -0.000 0.000 0.242 73 I C 2.035 178.201 176.117 0.082 0.000 1.088 73 I CA 1.321 62.568 61.300 -0.088 0.000 1.357 73 I CB -0.427 37.422 38.000 -0.251 0.000 1.051 73 I HN 0.260 nan 8.210 nan 0.000 0.409 74 Y N 0.865 121.204 120.300 0.065 0.000 2.181 74 Y HA -0.188 4.362 4.550 -0.000 0.000 0.288 74 Y C 2.671 178.613 175.900 0.070 0.000 1.146 74 Y CA 0.787 58.919 58.100 0.053 0.000 1.164 74 Y CB -1.340 37.130 38.460 0.017 0.000 0.982 74 Y HN 0.124 nan 8.280 nan 0.000 0.515 75 A N -0.520 122.439 122.820 0.230 0.000 1.930 75 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 75 A C 2.204 179.879 177.584 0.151 0.000 1.175 75 A CA 1.280 53.404 52.037 0.146 0.000 0.627 75 A CB -1.317 17.751 19.000 0.114 0.000 0.815 75 A HN 0.437 nan 8.150 nan 0.000 0.443 76 F N 0.676 120.674 119.950 0.080 0.000 2.075 76 F HA -0.163 4.364 4.527 -0.000 0.000 0.297 76 F C 1.969 177.844 175.800 0.125 0.000 1.113 76 F CA 1.903 59.982 58.000 0.133 0.000 1.218 76 F CB -0.226 38.831 39.000 0.094 0.000 0.984 76 F HN 0.141 nan 8.300 nan 0.000 0.472 77 L N -0.601 120.843 121.223 0.367 0.000 2.079 77 L HA -0.259 4.081 4.340 -0.000 0.000 0.210 77 L C 2.492 179.404 176.870 0.070 0.000 1.081 77 L CA 1.478 56.457 54.840 0.232 0.000 0.752 77 L CB -0.985 41.210 42.059 0.226 0.000 0.896 77 L HN 0.107 nan 8.230 nan 0.000 0.433 78 S N -0.462 115.268 115.700 0.050 0.000 2.382 78 S HA -0.208 4.262 4.470 -0.000 0.000 0.228 78 S C 1.925 176.463 174.600 -0.102 0.000 1.027 78 S CA 1.514 59.704 58.200 -0.017 0.000 0.991 78 S CB -0.214 62.981 63.200 -0.010 0.000 0.823 78 S HN 0.360 nan 8.310 nan 0.000 0.469 79 M N 1.379 120.864 119.600 -0.191 0.000 2.175 79 M HA -0.096 4.384 4.480 -0.000 0.000 0.264 79 M C 1.968 177.996 176.300 -0.454 0.000 1.063 79 M CA 1.391 56.442 55.300 -0.414 0.000 1.119 79 M CB -0.143 32.035 32.600 -0.704 0.000 1.377 79 M HN 0.242 nan 8.290 nan 0.000 0.415 80 E N -0.134 119.880 120.200 -0.309 0.000 2.085 80 E HA -0.270 4.080 4.350 -0.000 0.000 0.194 80 E C 2.033 178.565 176.600 -0.112 0.000 0.994 80 E CA 1.656 57.955 56.400 -0.168 0.000 0.801 80 E CB -0.190 29.496 29.700 -0.023 0.000 0.743 80 E HN 0.679 nan 8.360 nan 0.000 0.453 81 Q N 0.094 119.849 119.800 -0.075 0.000 2.050 81 Q HA -0.153 4.187 4.340 -0.000 0.000 0.202 81 Q C 2.242 178.215 176.000 -0.045 0.000 0.980 81 Q CA 1.358 57.139 55.803 -0.036 0.000 0.840 81 Q CB -0.180 28.549 28.738 -0.016 0.000 0.898 81 Q HN 0.231 nan 8.270 nan 0.000 0.424 82 A N 0.891 123.664 122.820 -0.080 0.000 1.902 82 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 82 A C 2.038 179.602 177.584 -0.035 0.000 1.181 82 A CA 1.216 53.226 52.037 -0.045 0.000 0.623 82 A CB -0.674 18.300 19.000 -0.043 0.000 0.818 82 A HN 0.313 nan 8.150 nan 0.000 0.443 83 I N -0.317 120.173 120.570 -0.134 0.000 2.179 83 I HA -0.301 3.869 4.170 -0.000 0.000 0.242 83 I C 2.986 179.074 176.117 -0.048 0.000 1.088 83 I CA 1.152 62.361 61.300 -0.151 0.000 1.357 83 I CB -0.351 37.419 38.000 -0.384 0.000 1.051 83 I HN 0.370 nan 8.210 nan 0.000 0.409 84 A N 0.291 123.092 122.820 -0.032 0.000 1.873 84 A HA -0.290 4.030 4.320 -0.000 0.000 0.215 84 A C 2.009 179.609 177.584 0.027 0.000 1.186 84 A CA 2.238 54.281 52.037 0.010 0.000 0.616 84 A CB -0.741 18.267 19.000 0.013 0.000 0.823 84 A HN 0.438 nan 8.150 nan 0.000 0.442 85 D N -0.104 120.318 120.400 0.036 0.000 2.149 85 D HA -0.043 4.597 4.640 -0.000 0.000 0.198 85 D C 1.833 178.188 176.300 0.091 0.000 0.990 85 D CA 1.527 55.572 54.000 0.076 0.000 0.839 85 D CB -0.170 40.699 40.800 0.115 0.000 0.948 85 D HN 0.342 nan 8.370 nan 0.000 0.460 86 A N -0.770 122.096 122.820 0.076 0.000 2.167 86 A HA 0.369 4.689 4.320 -0.000 0.000 0.214 86 A C 1.820 179.438 177.584 0.056 0.000 1.151 86 A CA 1.083 53.164 52.037 0.073 0.000 0.735 86 A CB -0.599 18.427 19.000 0.044 0.000 0.802 86 A HN 0.487 nan 8.150 nan 0.000 0.467 87 G N -0.946 107.883 108.800 0.048 0.000 2.198 87 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.257 87 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.257 87 G C -0.088 174.852 174.900 0.067 0.000 1.042 87 G CA 0.385 45.514 45.100 0.048 0.000 0.791 87 G HN 0.464 nan 8.290 nan 0.000 0.502 88 L N 1.430 122.703 121.223 0.084 0.000 2.289 88 L HA 0.581 4.921 4.340 -0.000 0.000 0.285 88 L C 1.120 178.120 176.870 0.217 0.000 1.049 88 L CA -0.320 54.610 54.840 0.150 0.000 0.804 88 L CB 1.629 43.788 42.059 0.166 0.000 1.195 88 L HN 0.400 nan 8.230 nan 0.000 0.428 89 S N 2.016 117.842 115.700 0.210 0.000 2.646 89 S HA 0.434 4.904 4.470 -0.000 0.000 0.276 89 S C -2.028 172.696 174.600 0.207 0.000 1.222 89 S CA -1.352 56.959 58.200 0.186 0.000 1.014 89 S CB 1.527 64.783 63.200 0.093 0.000 0.991 89 S HN 0.353 nan 8.310 nan 0.000 0.533 90 P HA -0.189 nan 4.420 nan 0.000 0.216 90 P C 1.315 178.426 177.300 -0.314 0.000 1.154 90 P CA 1.379 64.335 63.100 -0.240 0.000 0.865 90 P CB -0.049 31.583 31.700 -0.112 0.000 0.789 91 E N -0.532 119.595 120.200 -0.121 0.000 2.409 91 E HA -0.077 4.273 4.350 -0.000 0.000 0.198 91 E C 1.674 178.238 176.600 -0.060 0.000 1.024 91 E CA 1.253 57.596 56.400 -0.097 0.000 0.861 91 E CB -0.967 28.707 29.700 -0.043 0.000 0.788 91 E HN 0.243 nan 8.360 nan 0.000 0.521 92 A N 0.600 123.420 122.820 -0.000 0.000 2.044 92 A HA 0.028 4.348 4.320 -0.000 0.000 0.213 92 A C 1.663 179.342 177.584 0.157 0.000 1.169 92 A CA 0.742 52.838 52.037 0.099 0.000 0.724 92 A CB -0.349 18.752 19.000 0.167 0.000 0.840 92 A HN 0.418 nan 8.150 nan 0.000 0.463 93 Y N -2.078 118.265 120.300 0.071 0.000 2.423 93 Y HA 0.450 5.000 4.550 -0.000 0.000 0.257 93 Y C 0.619 176.551 175.900 0.053 0.000 1.087 93 Y CA -0.636 57.522 58.100 0.097 0.000 1.258 93 Y CB -0.099 38.491 38.460 0.216 0.000 1.237 93 Y HN 0.130 nan 8.280 nan 0.000 0.517 94 Q N 2.249 121.694 119.800 -0.591 0.000 2.299 94 Q HA 0.190 4.530 4.340 -0.000 0.000 0.246 94 Q C -0.216 175.580 176.000 -0.339 0.000 0.935 94 Q CA -0.373 55.164 55.803 -0.443 0.000 0.887 94 Q CB 0.458 28.883 28.738 -0.521 0.000 1.223 94 Q HN 0.354 nan 8.270 nan 0.000 0.439 95 N N 1.919 120.314 118.700 -0.509 0.000 2.716 95 N HA -0.211 4.529 4.740 -0.000 0.000 0.250 95 N C -1.110 174.138 175.510 -0.437 0.000 1.033 95 N CA 0.751 53.247 53.050 -0.923 0.000 0.727 95 N CB -1.029 37.159 38.487 -0.498 0.000 0.950 95 N HN 0.565 nan 8.380 nan 0.000 0.541 96 N N 0.166 118.731 118.700 -0.225 0.000 2.483 96 N HA 0.323 5.063 4.740 -0.000 0.000 0.267 96 N C -1.979 173.574 175.510 0.072 0.000 0.998 96 N CA -1.930 51.105 53.050 -0.027 0.000 0.918 96 N CB 1.616 40.103 38.487 0.000 0.000 1.215 96 N HN -0.183 nan 8.380 nan 0.000 0.500 97 P HA -0.013 nan 4.420 nan 0.000 0.223 97 P C 0.645 177.981 177.300 0.061 0.000 1.144 97 P CA 0.902 64.070 63.100 0.114 0.000 0.783 97 P CB 0.374 32.129 31.700 0.091 0.000 0.771 98 R N -0.980 119.540 120.500 0.034 0.000 2.334 98 R HA 0.196 4.536 4.340 -0.000 0.000 0.220 98 R C -0.074 176.203 176.300 -0.038 0.000 0.917 98 R CA 0.117 56.211 56.100 -0.009 0.000 1.073 98 R CB -0.025 30.261 30.300 -0.025 0.000 1.056 98 R HN 0.148 nan 8.270 nan 0.000 0.506 99 V N 0.206 120.126 119.914 0.009 0.000 2.487 99 V HA 0.638 4.758 4.120 -0.000 0.000 0.298 99 V C 0.448 176.579 176.094 0.061 0.000 1.028 99 V CA -0.784 61.525 62.300 0.014 0.000 0.860 99 V CB 1.785 33.672 31.823 0.106 0.000 0.991 99 V HN 0.291 nan 8.190 nan 0.000 0.427 100 G N 3.115 111.923 108.800 0.013 0.000 3.140 100 G HA2 0.843 4.803 3.960 -0.000 0.000 0.271 100 G HA3 0.843 4.803 3.960 -0.000 0.000 0.271 100 G C -1.738 173.198 174.900 0.060 0.000 1.370 100 G CA -0.774 44.338 45.100 0.021 0.000 1.014 100 G HN 0.722 nan 8.290 nan 0.000 0.541 101 L N -0.296 120.918 121.223 -0.015 0.000 2.505 101 L HA 0.690 5.030 4.340 -0.000 0.000 0.266 101 L C -1.571 175.214 176.870 -0.141 0.000 0.954 101 L CA -0.693 54.145 54.840 -0.003 0.000 0.852 101 L CB 1.726 43.814 42.059 0.049 0.000 1.282 101 L HN 0.436 nan 8.230 nan 0.000 0.403 102 I N 5.350 125.842 120.570 -0.130 0.000 2.476 102 I HA 0.752 4.922 4.170 -0.000 0.000 0.281 102 I C -0.488 175.601 176.117 -0.046 0.000 1.040 102 I CA -0.329 60.873 61.300 -0.163 0.000 1.094 102 I CB 1.705 39.585 38.000 -0.200 0.000 1.219 102 I HN 0.683 nan 8.210 nan 0.000 0.450 103 A N 4.261 127.079 122.820 -0.004 0.000 2.574 103 A HA 0.973 5.293 4.320 -0.000 0.000 0.297 103 A C -0.641 176.975 177.584 0.052 0.000 1.062 103 A CA -0.443 51.607 52.037 0.022 0.000 0.686 103 A CB 1.949 20.958 19.000 0.016 0.000 1.285 103 A HN 0.755 nan 8.150 nan 0.000 0.403 104 G N -0.308 108.526 108.800 0.057 0.000 2.721 104 G HA2 0.819 4.779 3.960 -0.000 0.000 0.296 104 G HA3 0.819 4.779 3.960 -0.000 0.000 0.296 104 G C -0.533 174.404 174.900 0.063 0.000 1.383 104 G CA 0.209 45.350 45.100 0.069 0.000 0.788 104 G HN 1.875 nan 8.290 nan 0.000 0.500 105 S N -1.998 113.742 115.700 0.066 0.000 2.667 105 S HA 0.696 5.166 4.470 -0.000 0.000 0.292 105 S C 1.005 175.643 174.600 0.064 0.000 1.126 105 S CA 0.255 58.492 58.200 0.062 0.000 0.881 105 S CB 1.554 64.793 63.200 0.065 0.000 1.132 105 S HN 1.482 nan 8.310 nan 0.000 0.492 106 G N -0.231 108.603 108.800 0.058 0.000 2.426 106 G HA2 0.339 4.299 3.960 -0.000 0.000 0.214 106 G HA3 0.339 4.299 3.960 -0.000 0.000 0.214 106 G C 0.857 175.802 174.900 0.075 0.000 1.156 106 G CA 0.360 45.497 45.100 0.061 0.000 0.802 106 G HN 1.220 nan 8.290 nan 0.000 0.534 107 G N -1.166 107.682 108.800 0.079 0.000 3.695 107 G HA2 0.472 4.432 3.960 -0.000 0.000 0.277 107 G HA3 0.472 4.432 3.960 -0.000 0.000 0.277 107 G C 1.020 175.963 174.900 0.072 0.000 1.001 107 G CA 0.788 45.937 45.100 0.081 0.000 0.837 107 G HN 1.087 nan 8.290 nan 0.000 0.492 108 G N 0.491 109.333 108.800 0.070 0.000 2.574 108 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.301 108 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.301 108 G C 0.421 175.367 174.900 0.077 0.000 1.166 108 G CA 0.763 45.905 45.100 0.069 0.000 0.971 108 G HN 1.468 nan 8.290 nan 0.000 0.542 109 S N 1.447 117.201 115.700 0.091 0.000 2.383 109 S HA 0.641 5.111 4.470 -0.000 0.000 0.196 109 S C -1.381 173.277 174.600 0.096 0.000 1.364 109 S CA 0.086 58.358 58.200 0.120 0.000 1.212 109 S CB 1.712 65.038 63.200 0.210 0.000 1.171 109 S HN 0.275 nan 8.310 nan 0.000 0.456 110 P HA -0.095 nan 4.420 nan 0.000 0.218 110 P C 1.508 178.761 177.300 -0.079 0.000 1.148 110 P CA 0.671 63.759 63.100 -0.020 0.000 0.822 110 P CB 0.140 31.811 31.700 -0.048 0.000 0.784 111 R N -0.882 119.547 120.500 -0.117 0.000 2.073 111 R HA -0.121 4.219 4.340 -0.000 0.000 0.234 111 R C 1.874 178.024 176.300 -0.251 0.000 1.134 111 R CA 1.688 57.635 56.100 -0.256 0.000 0.952 111 R CB -0.936 29.164 30.300 -0.334 0.000 0.850 111 R HN 0.098 nan 8.270 nan 0.000 0.433 112 F N 0.390 120.352 119.950 0.021 0.000 2.456 112 F HA -0.019 4.508 4.527 -0.000 0.000 0.298 112 F C 2.511 178.404 175.800 0.155 0.000 1.104 112 F CA 0.821 58.884 58.000 0.104 0.000 1.435 112 F CB -0.091 38.936 39.000 0.045 0.000 1.078 112 F HN 0.183 nan 8.300 nan 0.000 0.546 113 Q N 0.583 120.503 119.800 0.200 0.000 2.083 113 Q HA -0.102 4.238 4.340 -0.000 0.000 0.198 113 Q C 2.076 178.128 176.000 0.086 0.000 0.969 113 Q CA 1.714 57.598 55.803 0.135 0.000 0.838 113 Q CB -0.581 28.205 28.738 0.081 0.000 0.900 113 Q HN 0.248 nan 8.270 nan 0.000 0.436 114 V N 0.772 120.708 119.914 0.038 0.000 2.427 114 V HA -0.174 3.946 4.120 -0.000 0.000 0.248 114 V C 2.029 178.144 176.094 0.035 0.000 1.051 114 V CA 1.722 64.025 62.300 0.007 0.000 1.048 114 V CB -0.825 30.959 31.823 -0.065 0.000 0.666 114 V HN 0.457 nan 8.190 nan 0.000 0.456 115 F N 2.217 122.127 119.950 -0.067 0.000 2.095 115 F HA -0.084 4.442 4.527 -0.000 0.000 0.298 115 F C 2.164 177.978 175.800 0.024 0.000 1.104 115 F CA 1.837 59.810 58.000 -0.045 0.000 1.232 115 F CB -0.909 38.026 39.000 -0.108 0.000 0.987 115 F HN 0.131 nan 8.300 nan 0.000 0.475 116 G N -0.227 108.550 108.800 -0.038 0.000 2.418 116 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 116 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 116 G C 1.818 176.621 174.900 -0.162 0.000 1.158 116 G CA 0.904 45.927 45.100 -0.127 0.000 0.771 116 G HN 0.652 nan 8.290 nan 0.000 0.545 117 A N 0.966 123.738 122.820 -0.081 0.000 1.902 117 A HA -0.036 4.284 4.320 -0.000 0.000 0.217 117 A C 2.110 179.636 177.584 -0.096 0.000 1.181 117 A CA 2.123 54.122 52.037 -0.063 0.000 0.623 117 A CB -0.407 18.581 19.000 -0.021 0.000 0.818 117 A HN 0.276 nan 8.150 nan 0.000 0.443 118 D N 0.072 120.396 120.400 -0.126 0.000 2.097 118 D HA -0.034 4.606 4.640 -0.000 0.000 0.195 118 D C 2.262 178.452 176.300 -0.183 0.000 0.989 118 D CA 1.573 55.502 54.000 -0.119 0.000 0.827 118 D CB -0.461 40.288 40.800 -0.086 0.000 0.966 118 D HN 0.403 nan 8.370 nan 0.000 0.456 119 A N 0.591 123.198 122.820 -0.355 0.000 1.902 119 A HA -0.177 4.142 4.320 -0.000 0.000 0.217 119 A C 2.145 179.614 177.584 -0.190 0.000 1.181 119 A CA 1.775 53.599 52.037 -0.355 0.000 0.623 119 A CB -0.564 18.048 19.000 -0.647 0.000 0.818 119 A HN 0.168 nan 8.150 nan 0.000 0.443 120 M N -0.028 119.474 119.600 -0.163 0.000 2.149 120 M HA -0.092 4.388 4.480 -0.000 0.000 0.261 120 M C 1.803 178.064 176.300 -0.065 0.000 1.064 120 M CA 1.538 56.783 55.300 -0.092 0.000 1.102 120 M CB -0.422 32.136 32.600 -0.070 0.000 1.369 120 M HN 0.365 nan 8.290 nan 0.000 0.408 121 R N -0.122 120.339 120.500 -0.065 0.000 2.313 121 R HA 0.202 4.542 4.340 -0.000 0.000 0.199 121 R C 1.048 177.326 176.300 -0.037 0.000 0.958 121 R CA 0.283 56.358 56.100 -0.042 0.000 1.047 121 R CB -0.387 29.893 30.300 -0.033 0.000 0.955 121 R HN 0.466 nan 8.270 nan 0.000 0.481 122 G N 1.081 109.851 108.800 -0.049 0.000 2.532 122 G HA2 0.139 4.099 3.960 -0.000 0.000 0.291 122 G HA3 0.139 4.099 3.960 -0.000 0.000 0.291 122 G C -1.461 173.423 174.900 -0.026 0.000 1.349 122 G CA -0.959 44.119 45.100 -0.036 0.000 1.038 122 G HN -0.077 nan 8.290 nan 0.000 0.518 123 P HA -0.036 nan 4.420 nan 0.000 0.225 123 P C 0.924 178.218 177.300 -0.011 0.000 1.148 123 P CA 0.787 63.881 63.100 -0.011 0.000 0.779 123 P CB 0.376 32.073 31.700 -0.005 0.000 0.780 124 R N -1.002 119.489 120.500 -0.016 0.000 2.437 124 R HA 0.239 4.579 4.340 -0.000 0.000 0.257 124 R C 1.570 177.858 176.300 -0.020 0.000 0.927 124 R CA 0.466 56.559 56.100 -0.013 0.000 1.078 124 R CB 0.146 30.443 30.300 -0.004 0.000 1.161 124 R HN 0.138 nan 8.270 nan 0.000 0.529 125 G N 2.423 111.204 108.800 -0.031 0.000 2.684 125 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.342 125 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.342 125 G C 0.961 175.839 174.900 -0.038 0.000 1.316 125 G CA 0.699 45.778 45.100 -0.036 0.000 0.994 125 G HN 0.233 nan 8.290 nan 0.000 0.541 126 L N 0.449 121.655 121.223 -0.028 0.000 2.089 126 L HA -0.167 4.173 4.340 -0.000 0.000 0.213 126 L C 3.027 179.887 176.870 -0.017 0.000 1.079 126 L CA 2.374 57.200 54.840 -0.023 0.000 0.758 126 L CB -0.525 41.522 42.059 -0.019 0.000 0.891 126 L HN 0.560 nan 8.230 nan 0.000 0.433 127 K N -0.043 120.350 120.400 -0.012 0.000 2.097 127 K HA -0.122 4.198 4.320 -0.000 0.000 0.206 127 K C 2.195 178.805 176.600 0.016 0.000 1.049 127 K CA 1.339 57.625 56.287 -0.001 0.000 0.933 127 K CB -0.245 32.256 32.500 0.001 0.000 0.717 127 K HN 0.312 nan 8.250 nan 0.000 0.442 128 A N 1.019 123.841 122.820 0.004 0.000 1.970 128 A HA -0.041 4.279 4.320 -0.000 0.000 0.216 128 A C 2.335 179.936 177.584 0.029 0.000 1.170 128 A CA 0.797 52.844 52.037 0.016 0.000 0.645 128 A CB -0.351 18.627 19.000 -0.037 0.000 0.816 128 A HN 0.046 nan 8.150 nan 0.000 0.447 129 V N -0.433 119.470 119.914 -0.018 0.000 2.343 129 V HA 0.165 4.285 4.120 -0.000 0.000 0.247 129 V C 1.629 177.825 176.094 0.170 0.000 1.051 129 V CA 1.143 63.453 62.300 0.017 0.000 1.036 129 V CB -1.925 29.890 31.823 -0.014 0.000 0.654 129 V HN 1.214 nan 8.190 nan 0.000 0.451 130 G N 0.563 109.412 108.800 0.081 0.000 2.781 130 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.683 130 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.683 130 G C -1.622 173.235 174.900 -0.072 0.000 1.390 130 G CA -0.075 45.045 45.100 0.034 0.000 0.850 130 G HN 0.321 nan 8.290 nan 0.000 0.557 131 P HA 0.241 nan 4.420 nan 0.000 0.261 131 P C 0.109 177.124 177.300 -0.475 0.000 1.352 131 P CA 0.599 63.453 63.100 -0.411 0.000 0.891 131 P CB 0.046 31.426 31.700 -0.533 0.000 1.383 132 Y N -1.460 118.828 120.300 -0.021 0.000 2.481 132 Y HA 0.119 4.669 4.550 -0.000 0.000 0.247 132 Y C 2.196 178.074 175.900 -0.037 0.000 1.151 132 Y CA -0.187 57.872 58.100 -0.067 0.000 1.238 132 Y CB -0.310 38.009 38.460 -0.236 0.000 1.179 132 Y HN -0.280 nan 8.280 nan 0.000 0.524 133 V N -1.224 118.775 119.914 0.142 0.000 2.427 133 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 133 V C 2.106 178.267 176.094 0.111 0.000 1.051 133 V CA 1.571 63.961 62.300 0.151 0.000 1.048 133 V CB -0.754 31.214 31.823 0.241 0.000 0.666 133 V HN 0.230 nan 8.190 nan 0.000 0.456 134 V N 1.324 121.299 119.914 0.102 0.000 2.287 134 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 134 V C 2.820 178.963 176.094 0.082 0.000 1.053 134 V CA 2.705 65.057 62.300 0.086 0.000 1.027 134 V CB -1.398 30.469 31.823 0.073 0.000 0.646 134 V HN 0.815 nan 8.190 nan 0.000 0.447 135 T N -2.128 112.492 114.554 0.110 0.000 2.962 135 T HA -0.146 4.204 4.350 -0.000 0.000 0.270 135 T C 1.726 176.450 174.700 0.040 0.000 1.088 135 T CA 1.189 63.346 62.100 0.095 0.000 1.127 135 T CB -0.233 68.742 68.868 0.179 0.000 0.883 135 T HN 0.477 nan 8.240 nan 0.000 0.493 136 K N 1.051 121.444 120.400 -0.012 0.000 2.116 136 K HA 0.321 4.641 4.320 -0.000 0.000 0.203 136 K C 2.593 179.189 176.600 -0.008 0.000 1.052 136 K CA 0.996 57.207 56.287 -0.127 0.000 0.952 136 K CB -0.130 32.098 32.500 -0.453 0.000 0.729 136 K HN 0.422 nan 8.250 nan 0.000 0.446 137 A N 1.716 124.573 122.820 0.061 0.000 2.095 137 A HA 0.106 4.426 4.320 -0.000 0.000 0.212 137 A C 1.171 178.801 177.584 0.076 0.000 1.162 137 A CA -0.197 51.902 52.037 0.103 0.000 0.753 137 A CB -0.341 18.744 19.000 0.141 0.000 0.840 137 A HN 0.308 nan 8.150 nan 0.000 0.468 138 M N -1.467 118.170 119.600 0.063 0.000 2.252 138 M HA 0.447 4.927 4.480 -0.000 0.000 0.333 138 M C 0.988 177.320 176.300 0.054 0.000 1.111 138 M CA 0.448 55.781 55.300 0.055 0.000 1.140 138 M CB 0.417 33.046 32.600 0.049 0.000 1.538 138 M HN 0.069 nan 8.290 nan 0.000 0.448 139 A N 2.254 125.105 122.820 0.053 0.000 1.978 139 A HA -0.132 4.188 4.320 -0.000 0.000 0.220 139 A C 2.059 179.679 177.584 0.059 0.000 1.170 139 A CA 2.123 54.194 52.037 0.056 0.000 0.636 139 A CB -1.020 18.011 19.000 0.052 0.000 0.810 139 A HN 1.024 nan 8.150 nan 0.000 0.448 140 S N -0.789 114.946 115.700 0.058 0.000 2.660 140 S HA 0.304 4.774 4.470 -0.000 0.000 0.227 140 S C 1.620 176.254 174.600 0.057 0.000 0.948 140 S CA 0.570 58.809 58.200 0.066 0.000 0.948 140 S CB -0.381 62.861 63.200 0.071 0.000 0.779 140 S HN 0.608 nan 8.310 nan 0.000 0.487 141 G N 2.298 111.128 108.800 0.049 0.000 2.513 141 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.219 141 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.219 141 G C 1.315 176.241 174.900 0.044 0.000 1.160 141 G CA 1.266 46.390 45.100 0.039 0.000 0.767 141 G HN 0.485 nan 8.290 nan 0.000 0.571 142 V N 1.761 121.706 119.914 0.052 0.000 2.332 142 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 142 V C 3.270 179.405 176.094 0.068 0.000 1.055 142 V CA 2.568 64.906 62.300 0.063 0.000 1.038 142 V CB -0.563 31.299 31.823 0.063 0.000 0.651 142 V HN 0.657 nan 8.190 nan 0.000 0.450 143 S N 0.600 116.338 115.700 0.062 0.000 2.377 143 S HA -0.010 4.460 4.470 -0.000 0.000 0.223 143 S C 2.143 176.777 174.600 0.058 0.000 1.030 143 S CA 0.998 59.231 58.200 0.056 0.000 0.970 143 S CB -0.447 62.786 63.200 0.055 0.000 0.830 143 S HN 0.537 nan 8.310 nan 0.000 0.473 144 A N 1.035 123.884 122.820 0.049 0.000 1.883 144 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 144 A C 2.362 179.955 177.584 0.015 0.000 1.186 144 A CA 1.630 53.682 52.037 0.026 0.000 0.624 144 A CB -1.540 17.466 19.000 0.011 0.000 0.822 144 A HN 0.707 nan 8.150 nan 0.000 0.444 145 C N -1.159 118.160 119.300 0.030 0.000 2.491 145 C HA 0.182 4.642 4.460 -0.000 0.000 0.277 145 C C 2.191 177.260 174.990 0.131 0.000 1.455 145 C CA 0.619 59.658 59.018 0.036 0.000 1.758 145 C CB -1.365 26.395 27.740 0.033 0.000 1.745 145 C HN 0.524 nan 8.230 nan 0.000 0.558 146 L N 0.280 121.605 121.223 0.170 0.000 2.445 146 L HA 0.281 4.621 4.340 -0.000 0.000 0.207 146 L C 2.615 179.649 176.870 0.274 0.000 1.053 146 L CA 1.509 56.529 54.840 0.300 0.000 0.841 146 L CB -1.177 41.017 42.059 0.225 0.000 1.074 146 L HN 0.135 nan 8.230 nan 0.000 0.479 147 A N -0.790 122.120 122.820 0.150 0.000 1.940 147 A HA -0.202 4.117 4.320 -0.000 0.000 0.219 147 A C 2.278 179.939 177.584 0.128 0.000 1.176 147 A CA 2.489 54.605 52.037 0.131 0.000 0.631 147 A CB -0.982 18.067 19.000 0.082 0.000 0.814 147 A HN 0.419 nan 8.150 nan 0.000 0.446 148 T N 0.417 115.015 114.554 0.073 0.000 2.639 148 T HA -0.067 4.283 4.350 -0.000 0.000 0.261 148 T C -0.049 174.662 174.700 0.019 0.000 1.053 148 T CA 1.635 63.749 62.100 0.023 0.000 1.158 148 T CB -1.109 67.722 68.868 -0.061 0.000 0.863 148 T HN 0.513 nan 8.240 nan 0.000 0.413 149 P HA -0.003 nan 4.420 nan 0.000 0.221 149 P C 0.849 178.064 177.300 -0.142 0.000 1.150 149 P CA 1.062 64.108 63.100 -0.089 0.000 0.800 149 P CB -0.271 31.366 31.700 -0.106 0.000 0.787 150 F N 0.435 120.420 119.950 0.059 0.000 2.773 150 F HA 0.143 4.670 4.527 -0.000 0.000 0.304 150 F C 0.826 176.659 175.800 0.055 0.000 1.129 150 F CA -0.055 57.978 58.000 0.055 0.000 1.378 150 F CB -0.165 38.808 39.000 -0.044 0.000 1.095 150 F HN -0.235 nan 8.300 nan 0.000 0.565 151 K N 0.605 121.095 120.400 0.151 0.000 3.150 151 K HA -0.196 4.124 4.320 -0.000 0.000 0.267 151 K C -0.483 176.172 176.600 0.091 0.000 1.028 151 K CA 0.352 56.686 56.287 0.077 0.000 0.753 151 K CB -2.320 30.154 32.500 -0.043 0.000 1.288 151 K HN 0.197 nan 8.250 nan 0.000 0.473 152 I N 1.099 121.780 120.570 0.185 0.000 2.441 152 I HA 0.060 4.230 4.170 -0.000 0.000 0.287 152 I C 1.923 178.214 176.117 0.291 0.000 1.049 152 I CA 0.190 61.610 61.300 0.200 0.000 1.381 152 I CB 0.481 38.589 38.000 0.180 0.000 1.409 152 I HN 0.256 nan 8.210 nan 0.000 0.523 153 H N 3.203 122.311 119.070 0.063 0.000 2.874 153 H HA 0.180 4.736 4.556 -0.000 0.000 0.264 153 H C 1.323 176.670 175.328 0.031 0.000 1.007 153 H CA -0.020 56.051 56.048 0.038 0.000 1.207 153 H CB 1.448 31.228 29.762 0.028 0.000 1.487 153 H HN 0.774 nan 8.280 nan 0.000 0.505 154 G N 1.065 109.953 108.800 0.147 0.000 2.783 154 G HA2 0.223 4.183 3.960 -0.000 0.000 0.182 154 G HA3 0.223 4.183 3.960 -0.000 0.000 0.182 154 G C 0.166 175.087 174.900 0.035 0.000 1.516 154 G CA 0.050 45.194 45.100 0.072 0.000 1.079 154 G HN 0.119 nan 8.290 nan 0.000 0.573 155 V N -0.749 119.158 119.914 -0.012 0.000 2.872 155 V HA 0.433 4.553 4.120 -0.000 0.000 0.307 155 V C -0.219 175.796 176.094 -0.132 0.000 1.072 155 V CA -0.217 62.041 62.300 -0.070 0.000 1.148 155 V CB 1.121 32.844 31.823 -0.167 0.000 0.954 155 V HN 0.748 nan 8.190 nan 0.000 0.490 156 N N 3.362 121.982 118.700 -0.133 0.000 2.747 156 N HA 0.477 5.217 4.740 -0.000 0.000 0.262 156 N C -1.177 174.351 175.510 0.029 0.000 1.261 156 N CA -0.555 52.443 53.050 -0.087 0.000 0.809 156 N CB 1.036 39.535 38.487 0.020 0.000 1.450 156 N HN 1.021 nan 8.380 nan 0.000 0.560 157 Y N -1.169 119.151 120.300 0.034 0.000 2.779 157 Y HA 0.683 5.233 4.550 -0.000 0.000 0.340 157 Y C -1.282 174.636 175.900 0.030 0.000 1.252 157 Y CA -1.179 56.938 58.100 0.028 0.000 1.072 157 Y CB 0.452 38.925 38.460 0.022 0.000 1.343 157 Y HN 0.089 nan 8.280 nan 0.000 0.450 158 S N 1.366 117.263 115.700 0.329 0.000 2.503 158 S HA 0.714 5.184 4.470 -0.000 0.000 0.301 158 S C -0.950 173.788 174.600 0.229 0.000 1.087 158 S CA -0.741 57.588 58.200 0.215 0.000 1.042 158 S CB 1.259 64.536 63.200 0.129 0.000 1.043 158 S HN 0.518 nan 8.310 nan 0.000 0.489 159 I N 1.903 122.585 120.570 0.187 0.000 2.404 159 I HA 0.476 4.646 4.170 -0.000 0.000 0.293 159 I C -0.112 176.074 176.117 0.116 0.000 0.992 159 I CA -0.314 61.074 61.300 0.145 0.000 1.149 159 I CB 1.959 40.058 38.000 0.165 0.000 1.315 159 I HN 0.477 nan 8.210 nan 0.000 0.446 160 S N 3.223 118.977 115.700 0.090 0.000 2.521 160 S HA 0.649 5.119 4.470 -0.000 0.000 0.295 160 S C -0.351 174.306 174.600 0.096 0.000 1.098 160 S CA -0.405 57.850 58.200 0.092 0.000 0.999 160 S CB 1.216 64.461 63.200 0.075 0.000 1.034 160 S HN 0.686 nan 8.310 nan 0.000 0.483 161 S N 2.504 118.281 115.700 0.129 0.000 2.584 161 S HA 0.601 5.071 4.470 -0.000 0.000 0.189 161 S C 0.490 175.178 174.600 0.145 0.000 0.869 161 S CA 0.049 58.341 58.200 0.154 0.000 1.097 161 S CB -0.303 63.048 63.200 0.253 0.000 1.677 161 S HN 1.953 nan 8.310 nan 0.000 0.460 162 A N 2.187 125.066 122.820 0.099 0.000 5.382 162 A HA -0.261 4.059 4.320 -0.000 0.000 0.307 162 A C 1.648 179.245 177.584 0.022 0.000 1.937 162 A CA 1.365 53.429 52.037 0.044 0.000 0.715 162 A CB -2.191 16.830 19.000 0.035 0.000 1.293 162 A HN 1.461 nan 8.150 nan 0.000 0.374 163 S N 0.340 116.040 115.700 -0.001 0.000 2.603 163 S HA 0.351 4.821 4.470 -0.000 0.000 0.229 163 S C 1.456 176.094 174.600 0.062 0.000 0.972 163 S CA 1.356 59.596 58.200 0.067 0.000 0.935 163 S CB -0.195 63.130 63.200 0.209 0.000 0.769 163 S HN 1.738 nan 8.310 nan 0.000 0.536 164 A N 0.644 123.496 122.820 0.053 0.000 2.390 164 A HA 0.248 4.568 4.320 -0.000 0.000 0.232 164 A C 1.851 179.454 177.584 0.032 0.000 1.233 164 A CA 0.176 52.203 52.037 -0.017 0.000 0.907 164 A CB -0.565 18.432 19.000 -0.005 0.000 0.967 164 A HN 0.318 nan 8.150 nan 0.000 0.512 165 T N 1.595 116.211 114.554 0.102 0.000 2.531 165 T HA -0.271 4.079 4.350 -0.000 0.000 0.261 165 T C 2.239 176.989 174.700 0.084 0.000 1.141 165 T CA 2.773 64.946 62.100 0.123 0.000 1.176 165 T CB -0.537 68.380 68.868 0.083 0.000 0.863 165 T HN 0.806 nan 8.240 nan 0.000 0.424 166 S N 1.452 117.166 115.700 0.022 0.000 2.507 166 S HA 0.191 4.661 4.470 -0.000 0.000 0.235 166 S C 2.217 176.789 174.600 -0.047 0.000 0.988 166 S CA 0.757 58.952 58.200 -0.009 0.000 0.944 166 S CB -0.400 62.780 63.200 -0.033 0.000 0.762 166 S HN 0.567 nan 8.310 nan 0.000 0.526 167 A N 1.759 124.532 122.820 -0.078 0.000 1.898 167 A HA 0.046 4.365 4.320 -0.000 0.000 0.214 167 A C 1.910 179.432 177.584 -0.105 0.000 1.183 167 A CA 1.194 53.152 52.037 -0.132 0.000 0.622 167 A CB -0.996 17.885 19.000 -0.199 0.000 0.824 167 A HN 0.658 nan 8.150 nan 0.000 0.444 168 H N -1.512 117.582 119.070 0.039 0.000 2.423 168 H HA -0.129 4.427 4.556 -0.000 0.000 0.297 168 H C 2.166 177.484 175.328 -0.017 0.000 1.075 168 H CA 1.297 57.391 56.048 0.076 0.000 1.342 168 H CB -0.150 29.686 29.762 0.124 0.000 1.395 168 H HN 0.537 nan 8.280 nan 0.000 0.530 169 C N 0.198 119.553 119.300 0.091 0.000 2.429 169 C HA -0.125 4.335 4.460 -0.000 0.000 0.277 169 C C 2.679 177.626 174.990 -0.072 0.000 1.262 169 C CA 0.745 59.779 59.018 0.028 0.000 1.733 169 C CB -0.773 26.978 27.740 0.018 0.000 2.010 169 C HN 0.534 nan 8.230 nan 0.000 0.483 170 I N 1.054 121.550 120.570 -0.124 0.000 2.252 170 I HA -0.096 4.074 4.170 -0.000 0.000 0.245 170 I C 2.720 178.641 176.117 -0.327 0.000 1.102 170 I CA 1.758 62.944 61.300 -0.190 0.000 1.385 170 I CB -0.922 36.971 38.000 -0.178 0.000 1.064 170 I HN 0.445 nan 8.210 nan 0.000 0.414 171 G N 0.492 108.957 108.800 -0.558 0.000 2.418 171 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.217 171 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.217 171 G C 1.461 175.962 174.900 -0.665 0.000 1.158 171 G CA 0.716 45.026 45.100 -1.317 0.000 0.771 171 G HN 0.383 nan 8.290 nan 0.000 0.545 172 N N 0.896 119.447 118.700 -0.247 0.000 2.188 172 N HA -0.069 4.671 4.740 -0.000 0.000 0.184 172 N C 2.555 178.035 175.510 -0.050 0.000 1.018 172 N CA 0.998 54.037 53.050 -0.018 0.000 0.858 172 N CB -0.086 38.464 38.487 0.105 0.000 0.989 172 N HN 0.253 nan 8.380 nan 0.000 0.426 173 A N 0.855 123.608 122.820 -0.112 0.000 1.902 173 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 173 A C 2.444 179.960 177.584 -0.113 0.000 1.181 173 A CA 1.214 53.180 52.037 -0.118 0.000 0.623 173 A CB -0.830 18.084 19.000 -0.144 0.000 0.818 173 A HN 0.170 nan 8.150 nan 0.000 0.443 174 V N 0.169 119.996 119.914 -0.144 0.000 2.287 174 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 174 V C 2.424 178.492 176.094 -0.043 0.000 1.053 174 V CA 2.451 64.689 62.300 -0.104 0.000 1.027 174 V CB -0.928 30.819 31.823 -0.126 0.000 0.646 174 V HN 0.660 nan 8.190 nan 0.000 0.447 175 E N -0.586 119.605 120.200 -0.016 0.000 2.118 175 E HA -0.253 4.097 4.350 -0.000 0.000 0.195 175 E C 2.385 178.997 176.600 0.020 0.000 0.992 175 E CA 1.169 57.592 56.400 0.038 0.000 0.804 175 E CB -0.166 29.589 29.700 0.091 0.000 0.741 175 E HN 0.552 nan 8.360 nan 0.000 0.458 176 Q N 0.169 119.970 119.800 0.002 0.000 2.124 176 Q HA -0.125 4.215 4.340 -0.000 0.000 0.202 176 Q C 2.234 178.220 176.000 -0.022 0.000 0.977 176 Q CA 1.075 56.876 55.803 -0.004 0.000 0.850 176 Q CB -0.096 28.627 28.738 -0.026 0.000 0.901 176 Q HN 0.439 nan 8.270 nan 0.000 0.429 177 I N 0.395 120.941 120.570 -0.040 0.000 2.333 177 I HA -0.244 3.926 4.170 -0.000 0.000 0.246 177 I C 2.290 178.393 176.117 -0.023 0.000 1.106 177 I CA 0.825 62.096 61.300 -0.047 0.000 1.411 177 I CB -0.232 37.727 38.000 -0.069 0.000 1.082 177 I HN 0.200 nan 8.210 nan 0.000 0.420 178 Q N 0.610 120.405 119.800 -0.009 0.000 2.170 178 Q HA -0.138 4.202 4.340 -0.000 0.000 0.203 178 Q C 2.188 178.194 176.000 0.010 0.000 0.976 178 Q CA 1.211 57.017 55.803 0.006 0.000 0.858 178 Q CB -0.053 28.698 28.738 0.022 0.000 0.907 178 Q HN 0.532 nan 8.270 nan 0.000 0.433 179 L N -0.707 120.522 121.223 0.011 0.000 2.552 179 L HA 0.043 4.383 4.340 -0.000 0.000 0.227 179 L C 1.186 178.060 176.870 0.007 0.000 1.146 179 L CA 0.476 55.324 54.840 0.013 0.000 0.858 179 L CB -0.161 41.910 42.059 0.020 0.000 0.969 179 L HN 0.441 nan 8.230 nan 0.000 0.451 180 G N 0.071 108.871 108.800 -0.001 0.000 2.148 180 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.254 180 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.254 180 G C 0.986 175.882 174.900 -0.006 0.000 0.981 180 G CA 0.592 45.690 45.100 -0.004 0.000 0.670 180 G HN 0.396 nan 8.290 nan 0.000 0.528 181 K N -0.867 119.529 120.400 -0.007 0.000 2.262 181 K HA 0.119 4.439 4.320 -0.000 0.000 0.200 181 K C 0.955 177.543 176.600 -0.019 0.000 1.049 181 K CA 0.748 57.033 56.287 -0.004 0.000 0.979 181 K CB 0.105 32.611 32.500 0.009 0.000 0.773 181 K HN 0.437 nan 8.250 nan 0.000 0.474 182 Q N -0.248 119.526 119.800 -0.042 0.000 2.421 182 Q HA 0.157 4.497 4.340 -0.000 0.000 0.280 182 Q C -0.512 175.416 176.000 -0.119 0.000 1.085 182 Q CA -0.366 55.392 55.803 -0.075 0.000 0.807 182 Q CB 1.986 30.673 28.738 -0.085 0.000 1.405 182 Q HN -0.048 nan 8.270 nan 0.000 0.419 183 D N 0.138 120.425 120.400 -0.189 0.000 2.380 183 D HA 0.294 4.934 4.640 -0.000 0.000 0.212 183 D C 0.256 176.326 176.300 -0.384 0.000 1.021 183 D CA 0.741 54.549 54.000 -0.319 0.000 0.884 183 D CB 1.421 41.901 40.800 -0.534 0.000 1.001 183 D HN 0.354 nan 8.370 nan 0.000 0.506 184 I N 0.682 121.050 120.570 -0.336 0.000 2.656 184 I HA 0.271 4.441 4.170 -0.000 0.000 0.292 184 I C -1.256 174.650 176.117 -0.352 0.000 1.144 184 I CA -0.801 60.275 61.300 -0.374 0.000 1.038 184 I CB 3.364 41.108 38.000 -0.427 0.000 1.244 184 I HN -0.416 nan 8.210 nan 0.000 0.420 185 V N 5.658 125.330 119.914 -0.404 0.000 2.569 185 V HA 0.384 4.504 4.120 -0.000 0.000 0.301 185 V C -0.782 175.072 176.094 -0.400 0.000 1.044 185 V CA -0.587 61.523 62.300 -0.317 0.000 0.874 185 V CB 1.806 33.510 31.823 -0.199 0.000 1.002 185 V HN 0.385 nan 8.190 nan 0.000 0.424 186 F N 3.456 123.308 119.950 -0.164 0.000 2.445 186 F HA 0.680 5.206 4.527 -0.000 0.000 0.359 186 F C 0.753 176.456 175.800 -0.162 0.000 1.101 186 F CA 0.011 57.898 58.000 -0.189 0.000 1.177 186 F CB 1.119 39.971 39.000 -0.248 0.000 1.110 186 F HN 0.577 nan 8.300 nan 0.000 0.522 187 A N 2.612 125.420 122.820 -0.020 0.000 2.371 187 A HA 0.941 5.261 4.320 -0.000 0.000 0.311 187 A C -0.001 177.555 177.584 -0.047 0.000 1.068 187 A CA 0.090 52.098 52.037 -0.049 0.000 0.744 187 A CB 1.423 20.366 19.000 -0.095 0.000 1.239 187 A HN 1.004 nan 8.150 nan 0.000 0.435 188 G N -0.242 108.536 108.800 -0.037 0.000 2.512 188 G HA2 0.736 4.696 3.960 -0.000 0.000 0.181 188 G HA3 0.736 4.696 3.960 -0.000 0.000 0.181 188 G C -0.128 174.764 174.900 -0.013 0.000 1.173 188 G CA 0.451 45.528 45.100 -0.039 0.000 0.988 188 G HN 2.329 nan 8.290 nan 0.000 0.485 189 G N -2.203 106.595 108.800 -0.003 0.000 2.321 189 G HA2 0.803 4.763 3.960 -0.000 0.000 0.296 189 G HA3 0.803 4.763 3.960 -0.000 0.000 0.296 189 G C -0.494 174.432 174.900 0.043 0.000 1.287 189 G CA 0.751 45.866 45.100 0.024 0.000 0.846 189 G HN 2.161 nan 8.290 nan 0.000 0.508 190 G N -1.345 107.495 108.800 0.067 0.000 2.623 190 G HA2 0.685 4.645 3.960 -0.000 0.000 0.290 190 G HA3 0.685 4.645 3.960 -0.000 0.000 0.290 190 G C -2.013 172.954 174.900 0.113 0.000 1.437 190 G CA -0.179 44.990 45.100 0.115 0.000 0.798 190 G HN 0.762 nan 8.290 nan 0.000 0.488 191 E N -0.377 119.923 120.200 0.167 0.000 2.321 191 E HA 0.377 4.727 4.350 -0.000 0.000 0.281 191 E C -0.279 176.444 176.600 0.205 0.000 0.910 191 E CA -0.673 55.804 56.400 0.129 0.000 0.770 191 E CB 1.576 31.313 29.700 0.063 0.000 1.225 191 E HN 0.714 nan 8.360 nan 0.000 0.417 192 E N 2.903 123.187 120.200 0.140 0.000 2.342 192 E HA 0.448 4.798 4.350 -0.000 0.000 0.257 192 E C -0.762 175.903 176.600 0.108 0.000 1.150 192 E CA -0.857 55.627 56.400 0.140 0.000 0.926 192 E CB 1.207 30.939 29.700 0.053 0.000 1.074 192 E HN 0.244 nan 8.360 nan 0.000 0.449 193 L N 1.969 123.235 121.223 0.072 0.000 2.372 193 L HA 0.479 4.818 4.340 -0.000 0.000 0.274 193 L C -1.363 175.545 176.870 0.064 0.000 0.988 193 L CA -0.304 54.541 54.840 0.007 0.000 0.833 193 L CB 0.974 42.898 42.059 -0.224 0.000 1.236 193 L HN 0.948 nan 8.230 nan 0.000 0.410 194 C N 2.033 121.433 119.300 0.167 0.000 3.303 194 C HA 0.412 4.872 4.460 -0.000 0.000 0.340 194 C C 1.022 176.121 174.990 0.181 0.000 1.274 194 C CA -0.929 58.192 59.018 0.171 0.000 1.234 194 C CB 0.537 28.241 27.740 -0.059 0.000 1.532 194 C HN 1.066 nan 8.230 nan 0.000 0.483 195 W N 0.885 122.299 121.300 0.189 0.000 2.402 195 W HA 0.020 4.680 4.660 -0.000 0.000 0.286 195 W C 1.036 177.622 176.519 0.112 0.000 1.221 195 W CA 1.844 59.265 57.345 0.126 0.000 1.257 195 W CB -1.037 28.457 29.460 0.057 0.000 1.120 195 W HN 0.882 nan 8.180 nan 0.000 0.551 196 E N 0.764 120.392 120.200 -0.955 0.000 2.130 196 E HA -0.259 4.091 4.350 -0.000 0.000 0.196 196 E C 2.330 178.791 176.600 -0.232 0.000 0.998 196 E CA 2.668 58.527 56.400 -0.902 0.000 0.806 196 E CB -0.606 28.577 29.700 -0.862 0.000 0.738 196 E HN 0.375 nan 8.360 nan 0.000 0.459 197 M N -0.777 118.781 119.600 -0.071 0.000 2.429 197 M HA 0.122 4.602 4.480 -0.000 0.000 0.265 197 M C 2.091 178.552 176.300 0.267 0.000 1.120 197 M CA 1.115 56.474 55.300 0.098 0.000 1.173 197 M CB 0.124 32.809 32.600 0.140 0.000 1.343 197 M HN 0.161 nan 8.290 nan 0.000 0.464 198 A N 0.570 123.568 122.820 0.296 0.000 1.940 198 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 198 A C 2.317 180.103 177.584 0.336 0.000 1.176 198 A CA 1.809 54.071 52.037 0.375 0.000 0.631 198 A CB -1.713 17.475 19.000 0.313 0.000 0.814 198 A HN 0.872 nan 8.150 nan 0.000 0.446 199 C N -0.964 118.511 119.300 0.290 0.000 2.419 199 C HA -0.040 4.420 4.460 -0.000 0.000 0.281 199 C C 2.176 177.265 174.990 0.166 0.000 1.336 199 C CA 1.144 60.307 59.018 0.243 0.000 1.770 199 C CB -1.415 26.511 27.740 0.311 0.000 1.929 199 C HN 0.578 nan 8.230 nan 0.000 0.509 200 E N 0.773 121.042 120.200 0.115 0.000 2.106 200 E HA -0.003 4.347 4.350 -0.000 0.000 0.192 200 E C 1.746 178.312 176.600 -0.057 0.000 0.984 200 E CA 1.352 57.740 56.400 -0.019 0.000 0.806 200 E CB -0.455 29.158 29.700 -0.144 0.000 0.750 200 E HN 0.757 nan 8.360 nan 0.000 0.458 201 F N 0.704 120.723 119.950 0.115 0.000 2.146 201 F HA -0.125 4.402 4.527 -0.000 0.000 0.298 201 F C 2.177 177.997 175.800 0.033 0.000 1.096 201 F CA 1.260 59.323 58.000 0.105 0.000 1.275 201 F CB -0.287 38.765 39.000 0.087 0.000 1.008 201 F HN 0.021 nan 8.300 nan 0.000 0.480 202 D N 0.148 120.670 120.400 0.204 0.000 2.144 202 D HA -0.133 4.507 4.640 -0.000 0.000 0.199 202 D C 2.219 178.565 176.300 0.077 0.000 0.984 202 D CA 1.209 55.271 54.000 0.103 0.000 0.834 202 D CB -0.233 40.626 40.800 0.098 0.000 0.955 202 D HN 0.170 nan 8.370 nan 0.000 0.465 203 A N 0.634 123.501 122.820 0.078 0.000 2.070 203 A HA -0.105 4.215 4.320 -0.000 0.000 0.220 203 A C 2.190 179.798 177.584 0.041 0.000 1.159 203 A CA 1.606 53.674 52.037 0.051 0.000 0.656 203 A CB -0.728 18.299 19.000 0.045 0.000 0.800 203 A HN 0.513 nan 8.150 nan 0.000 0.453 204 M N -3.160 116.472 119.600 0.054 0.000 2.431 204 M HA 0.453 4.933 4.480 -0.000 0.000 0.237 204 M C 1.022 177.360 176.300 0.063 0.000 1.130 204 M CA 0.696 56.026 55.300 0.049 0.000 1.002 204 M CB 0.109 32.739 32.600 0.051 0.000 1.524 204 M HN 0.576 nan 8.290 nan 0.000 0.482 205 G N 0.935 109.771 108.800 0.060 0.000 2.160 205 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.251 205 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.251 205 G C 0.753 175.683 174.900 0.049 0.000 1.008 205 G CA 0.387 45.514 45.100 0.045 0.000 0.724 205 G HN 0.785 nan 8.290 nan 0.000 0.514 206 A N -0.963 121.900 122.820 0.071 0.000 2.169 206 A HA 0.643 4.963 4.320 -0.000 0.000 0.212 206 A C 1.230 178.634 177.584 -0.300 0.000 1.153 206 A CA 0.721 52.778 52.037 0.034 0.000 0.756 206 A CB 0.131 19.303 19.000 0.287 0.000 0.813 206 A HN 0.653 nan 8.150 nan 0.000 0.471 207 L N -0.204 120.863 121.223 -0.261 0.000 2.344 207 L HA 0.366 4.706 4.340 -0.000 0.000 0.272 207 L C 0.711 177.508 176.870 -0.121 0.000 1.035 207 L CA -0.623 54.021 54.840 -0.328 0.000 0.807 207 L CB 1.635 43.556 42.059 -0.229 0.000 1.237 207 L HN 0.139 nan 8.230 nan 0.000 0.442 208 S N 0.063 115.724 115.700 -0.065 0.000 2.549 208 S HA 0.152 4.622 4.470 -0.000 0.000 0.283 208 S C 0.750 175.359 174.600 0.015 0.000 1.320 208 S CA 0.213 58.439 58.200 0.044 0.000 1.058 208 S CB 0.470 63.747 63.200 0.129 0.000 0.882 208 S HN 0.832 nan 8.310 nan 0.000 0.498 209 T N 1.325 115.878 114.554 -0.002 0.000 3.009 209 T HA 0.326 4.676 4.350 -0.000 0.000 0.267 209 T C 0.891 175.514 174.700 -0.129 0.000 0.942 209 T CA -0.439 61.611 62.100 -0.083 0.000 0.883 209 T CB -0.132 68.677 68.868 -0.099 0.000 1.192 209 T HN 0.595 nan 8.240 nan 0.000 0.524 210 K N 0.309 120.604 120.400 -0.174 0.000 2.426 210 K HA 0.221 4.540 4.320 -0.000 0.000 0.193 210 K C -0.212 176.014 176.600 -0.623 0.000 1.028 210 K CA 0.453 56.484 56.287 -0.426 0.000 1.047 210 K CB 0.072 32.209 32.500 -0.605 0.000 0.821 210 K HN 0.486 nan 8.250 nan 0.000 0.513 211 Y N -0.168 120.129 120.300 -0.005 0.000 2.716 211 Y HA 0.200 4.750 4.550 -0.000 0.000 0.260 211 Y C 0.854 176.773 175.900 0.031 0.000 1.141 211 Y CA -0.675 57.432 58.100 0.013 0.000 1.168 211 Y CB 0.087 38.562 38.460 0.025 0.000 1.189 211 Y HN -0.005 nan 8.280 nan 0.000 0.549 212 N N 0.719 119.475 118.700 0.094 0.000 2.272 212 N HA -0.172 4.568 4.740 -0.000 0.000 0.185 212 N C 0.972 176.580 175.510 0.163 0.000 1.014 212 N CA 1.480 54.617 53.050 0.146 0.000 0.870 212 N CB 0.013 38.555 38.487 0.092 0.000 0.975 212 N HN 0.475 nan 8.380 nan 0.000 0.433 213 D N -0.173 120.281 120.400 0.089 0.000 2.269 213 D HA -0.039 4.601 4.640 -0.000 0.000 0.208 213 D C 0.537 176.877 176.300 0.065 0.000 0.963 213 D CA 0.932 54.959 54.000 0.046 0.000 0.864 213 D CB 0.060 40.869 40.800 0.015 0.000 0.936 213 D HN 0.344 nan 8.370 nan 0.000 0.505 214 T N -2.031 112.594 114.554 0.119 0.000 3.410 214 T HA 0.336 4.686 4.350 -0.000 0.000 0.328 214 T C -2.294 172.486 174.700 0.134 0.000 1.567 214 T CA -1.713 60.455 62.100 0.114 0.000 1.626 214 T CB 1.856 70.795 68.868 0.118 0.000 0.939 214 T HN -0.289 nan 8.240 nan 0.000 0.656 215 P HA -0.212 nan 4.420 nan 0.000 0.219 215 P C 1.402 178.764 177.300 0.103 0.000 1.161 215 P CA 1.488 64.680 63.100 0.153 0.000 0.909 215 P CB 0.120 31.931 31.700 0.185 0.000 0.793 216 E N -0.765 119.481 120.200 0.076 0.000 2.401 216 E HA -0.151 4.199 4.350 -0.000 0.000 0.199 216 E C 1.296 177.896 176.600 0.000 0.000 1.023 216 E CA 0.764 57.188 56.400 0.040 0.000 0.859 216 E CB -0.266 29.453 29.700 0.032 0.000 0.780 216 E HN 0.429 nan 8.360 nan 0.000 0.523 217 K N -0.348 120.043 120.400 -0.014 0.000 2.358 217 K HA 0.222 4.542 4.320 -0.000 0.000 0.200 217 K C 1.692 178.121 176.600 -0.285 0.000 1.030 217 K CA 0.218 56.436 56.287 -0.116 0.000 1.097 217 K CB 0.778 33.224 32.500 -0.091 0.000 0.862 217 K HN -0.025 nan 8.250 nan 0.000 0.534 218 A N 1.382 124.123 122.820 -0.131 0.000 1.877 218 A HA -0.075 4.245 4.320 -0.000 0.000 0.216 218 A C 1.423 178.924 177.584 -0.137 0.000 1.186 218 A CA 1.163 53.131 52.037 -0.114 0.000 0.620 218 A CB -0.174 18.891 19.000 0.109 0.000 0.822 218 A HN 0.172 nan 8.150 nan 0.000 0.443 219 S N 0.525 116.188 115.700 -0.062 0.000 2.422 219 S HA 0.399 4.869 4.470 -0.000 0.000 0.283 219 S C 0.269 174.812 174.600 -0.095 0.000 1.163 219 S CA -0.532 57.642 58.200 -0.042 0.000 1.054 219 S CB -0.197 63.001 63.200 -0.003 0.000 0.967 219 S HN 0.490 nan 8.310 nan 0.000 0.499 220 R N 2.642 123.079 120.500 -0.106 0.000 2.638 220 R HA 0.236 4.576 4.340 -0.000 0.000 0.261 220 R C -0.676 175.565 176.300 -0.099 0.000 1.515 220 R CA -0.648 55.389 56.100 -0.105 0.000 1.623 220 R CB -0.691 29.523 30.300 -0.145 0.000 1.347 220 R HN 0.386 nan 8.270 nan 0.000 0.705 221 T N 2.232 116.682 114.554 -0.172 0.000 2.849 221 T HA -0.083 4.267 4.350 -0.000 0.000 0.289 221 T C -0.081 174.427 174.700 -0.320 0.000 1.010 221 T CA 0.936 62.804 62.100 -0.386 0.000 1.161 221 T CB -0.104 68.392 68.868 -0.620 0.000 0.989 221 T HN 0.582 nan 8.240 nan 0.000 0.523 222 Y N -1.153 119.159 120.300 0.021 0.000 4.894 222 Y HA -0.208 4.341 4.550 -0.000 0.000 0.270 222 Y C 0.668 176.581 175.900 0.021 0.000 0.930 222 Y CA 0.438 58.551 58.100 0.022 0.000 1.814 222 Y CB -2.245 36.226 38.460 0.018 0.000 1.235 222 Y HN 0.773 nan 8.280 nan 0.000 0.480 223 D N 0.577 121.047 120.400 0.118 0.000 2.350 223 D HA 0.578 5.218 4.640 -0.000 0.000 0.249 223 D C 1.275 177.621 176.300 0.078 0.000 1.119 223 D CA 0.734 54.794 54.000 0.099 0.000 0.886 223 D CB 1.329 42.171 40.800 0.070 0.000 1.195 223 D HN 0.265 nan 8.370 nan 0.000 0.437 224 A N 3.249 126.098 122.820 0.050 0.000 2.076 224 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 224 A C 1.059 178.485 177.584 -0.263 0.000 1.160 224 A CA 1.420 53.393 52.037 -0.106 0.000 0.653 224 A CB -0.574 18.318 19.000 -0.179 0.000 0.801 224 A HN 0.778 nan 8.150 nan 0.000 0.455 225 H N -0.482 118.645 119.070 0.096 0.000 2.488 225 H HA 0.202 4.758 4.556 -0.000 0.000 0.294 225 H C 0.475 175.914 175.328 0.184 0.000 1.088 225 H CA -0.319 55.814 56.048 0.141 0.000 1.086 225 H CB 0.023 29.894 29.762 0.182 0.000 1.569 225 H HN 0.601 nan 8.280 nan 0.000 0.548 226 R N 1.218 121.817 120.500 0.165 0.000 2.694 226 R HA 0.063 4.403 4.340 -0.000 0.000 0.268 226 R C -0.453 175.951 176.300 0.174 0.000 1.061 226 R CA 0.207 56.389 56.100 0.137 0.000 1.133 226 R CB 0.532 30.867 30.300 0.059 0.000 1.020 226 R HN 0.233 nan 8.270 nan 0.000 0.475 227 D N 0.109 120.626 120.400 0.194 0.000 2.785 227 D HA 0.225 4.865 4.640 -0.000 0.000 0.324 227 D C 0.023 176.389 176.300 0.110 0.000 1.523 227 D CA -0.004 54.088 54.000 0.153 0.000 0.789 227 D CB 0.445 41.344 40.800 0.165 0.000 1.171 227 D HN 0.908 nan 8.370 nan 0.000 0.447 228 G N 0.417 109.283 108.800 0.110 0.000 2.406 228 G HA2 0.246 4.206 3.960 -0.000 0.000 0.680 228 G HA3 0.246 4.206 3.960 -0.000 0.000 0.680 228 G C -0.610 174.355 174.900 0.109 0.000 1.338 228 G CA -0.702 44.447 45.100 0.082 0.000 0.941 228 G HN 0.293 nan 8.290 nan 0.000 0.633 229 F N -0.498 119.505 119.950 0.088 0.000 2.368 229 F HA 0.818 5.345 4.527 -0.000 0.000 0.315 229 F C 0.249 176.085 175.800 0.059 0.000 1.145 229 F CA -1.460 56.577 58.000 0.061 0.000 1.095 229 F CB 1.162 40.217 39.000 0.092 0.000 1.286 229 F HN 0.396 nan 8.300 nan 0.000 0.530 230 V N 3.964 124.096 119.914 0.363 0.000 2.347 230 V HA 0.260 4.380 4.120 -0.000 0.000 0.280 230 V C 0.236 176.546 176.094 0.360 0.000 1.021 230 V CA -0.876 61.569 62.300 0.241 0.000 0.847 230 V CB 1.070 32.998 31.823 0.175 0.000 0.990 230 V HN 0.850 nan 8.190 nan 0.000 0.444 231 I N 4.654 125.398 120.570 0.291 0.000 2.754 231 I HA 0.495 4.665 4.170 -0.000 0.000 0.285 231 I C 0.490 176.716 176.117 0.183 0.000 1.166 231 I CA 0.557 62.007 61.300 0.250 0.000 1.417 231 I CB 0.871 38.968 38.000 0.163 0.000 1.382 231 I HN 0.805 nan 8.210 nan 0.000 0.588 232 A N 4.755 127.621 122.820 0.077 0.000 2.593 232 A HA 0.871 5.191 4.320 -0.000 0.000 0.290 232 A C -0.675 176.876 177.584 -0.053 0.000 1.126 232 A CA -0.068 51.970 52.037 0.002 0.000 0.695 232 A CB 1.304 20.310 19.000 0.010 0.000 1.290 232 A HN 0.845 nan 8.150 nan 0.000 0.414 233 G N -1.818 106.907 108.800 -0.125 0.000 2.798 233 G HA2 0.958 4.918 3.960 -0.000 0.000 0.286 233 G HA3 0.958 4.918 3.960 -0.000 0.000 0.286 233 G C -0.042 174.711 174.900 -0.244 0.000 1.389 233 G CA -0.239 44.795 45.100 -0.109 0.000 0.894 233 G HN 2.345 nan 8.290 nan 0.000 0.488 234 G N -2.183 106.440 108.800 -0.295 0.000 2.320 234 G HA2 0.618 4.578 3.960 -0.000 0.000 0.274 234 G HA3 0.618 4.578 3.960 -0.000 0.000 0.274 234 G C -0.330 174.487 174.900 -0.139 0.000 1.324 234 G CA 0.239 45.016 45.100 -0.540 0.000 0.957 234 G HN 2.012 nan 8.290 nan 0.000 0.481 235 G N -1.885 106.852 108.800 -0.104 0.000 2.684 235 G HA2 1.015 4.975 3.960 -0.000 0.000 0.290 235 G HA3 1.015 4.975 3.960 -0.000 0.000 0.290 235 G C -0.369 174.511 174.900 -0.034 0.000 1.425 235 G CA 0.381 45.494 45.100 0.021 0.000 0.822 235 G HN 2.137 nan 8.290 nan 0.000 0.482 236 G N -1.317 107.463 108.800 -0.033 0.000 2.667 236 G HA2 0.673 4.633 3.960 -0.000 0.000 0.294 236 G HA3 0.673 4.633 3.960 -0.000 0.000 0.294 236 G C -1.708 173.152 174.900 -0.066 0.000 1.467 236 G CA -0.554 44.501 45.100 -0.075 0.000 0.852 236 G HN 0.984 nan 8.290 nan 0.000 0.521 237 M N 0.816 120.368 119.600 -0.080 0.000 2.414 237 M HA 0.670 5.150 4.480 -0.000 0.000 0.287 237 M C -1.149 175.104 176.300 -0.078 0.000 1.181 237 M CA -0.656 54.603 55.300 -0.069 0.000 0.933 237 M CB 2.357 34.915 32.600 -0.070 0.000 1.732 237 M HN 1.254 nan 8.290 nan 0.000 0.486 238 V N 1.409 121.280 119.914 -0.072 0.000 2.962 238 V HA 0.893 5.013 4.120 -0.000 0.000 0.313 238 V C -1.207 174.832 176.094 -0.091 0.000 1.099 238 V CA -0.933 61.312 62.300 -0.093 0.000 0.971 238 V CB 1.841 33.587 31.823 -0.129 0.000 1.028 238 V HN 0.614 nan 8.190 nan 0.000 0.430 239 V N 3.739 123.586 119.914 -0.111 0.000 2.334 239 V HA 0.356 4.476 4.120 -0.000 0.000 0.267 239 V C 0.177 176.144 176.094 -0.211 0.000 1.040 239 V CA -0.322 61.836 62.300 -0.237 0.000 0.866 239 V CB 1.051 32.754 31.823 -0.201 0.000 1.019 239 V HN 0.732 nan 8.190 nan 0.000 0.468 240 V N 5.149 124.908 119.914 -0.258 0.000 2.432 240 V HA 0.486 4.606 4.120 -0.000 0.000 0.275 240 V C 0.069 176.032 176.094 -0.219 0.000 1.043 240 V CA -0.274 61.909 62.300 -0.195 0.000 0.925 240 V CB 1.356 33.070 31.823 -0.181 0.000 0.985 240 V HN 0.971 nan 8.190 nan 0.000 0.466 241 E N 2.613 122.721 120.200 -0.153 0.000 2.356 241 E HA 0.313 4.663 4.350 -0.000 0.000 0.275 241 E C -0.885 175.662 176.600 -0.087 0.000 0.904 241 E CA -0.725 55.588 56.400 -0.145 0.000 0.757 241 E CB 1.882 31.519 29.700 -0.104 0.000 1.232 241 E HN 0.703 nan 8.360 nan 0.000 0.442 242 E N 3.646 123.792 120.200 -0.088 0.000 2.384 242 E HA -0.033 4.317 4.350 -0.000 0.000 0.266 242 E C 0.781 177.388 176.600 0.013 0.000 1.012 242 E CA -0.088 56.291 56.400 -0.036 0.000 0.901 242 E CB 1.118 30.797 29.700 -0.035 0.000 0.967 242 E HN 0.625 nan 8.360 nan 0.000 0.435 243 L N 5.499 126.725 121.223 0.005 0.000 1.990 243 L HA -0.231 4.109 4.340 -0.000 0.000 0.213 243 L C 1.930 178.812 176.870 0.020 0.000 1.072 243 L CA 1.968 56.812 54.840 0.006 0.000 0.755 243 L CB -0.416 41.641 42.059 -0.004 0.000 0.889 243 L HN 0.559 nan 8.230 nan 0.000 0.432 244 E N -1.088 119.129 120.200 0.028 0.000 2.077 244 E HA -0.264 4.086 4.350 -0.000 0.000 0.193 244 E C 2.218 178.839 176.600 0.034 0.000 0.989 244 E CA 1.354 57.769 56.400 0.023 0.000 0.800 244 E CB -0.695 29.018 29.700 0.023 0.000 0.746 244 E HN 0.678 nan 8.360 nan 0.000 0.452 245 H N 0.582 119.637 119.070 -0.026 0.000 2.353 245 H HA -0.033 4.523 4.556 -0.000 0.000 0.300 245 H C 1.807 177.118 175.328 -0.029 0.000 1.090 245 H CA 1.722 57.754 56.048 -0.027 0.000 1.327 245 H CB 0.215 29.957 29.762 -0.033 0.000 1.383 245 H HN 0.126 nan 8.280 nan 0.000 0.508 246 A N 0.994 123.874 122.820 0.099 0.000 1.930 246 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 246 A C 2.849 180.419 177.584 -0.024 0.000 1.175 246 A CA 0.917 52.977 52.037 0.039 0.000 0.627 246 A CB -0.697 18.318 19.000 0.025 0.000 0.815 246 A HN 0.403 nan 8.150 nan 0.000 0.443 247 L N -0.827 120.380 121.223 -0.027 0.000 2.093 247 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 247 L C 3.042 179.881 176.870 -0.052 0.000 1.085 247 L CA 0.936 55.754 54.840 -0.037 0.000 0.755 247 L CB -0.513 41.529 42.059 -0.028 0.000 0.904 247 L HN 0.431 nan 8.230 nan 0.000 0.435 248 A N 1.064 123.839 122.820 -0.076 0.000 1.972 248 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 248 A C 2.234 179.755 177.584 -0.105 0.000 1.169 248 A CA 1.570 53.550 52.037 -0.095 0.000 0.635 248 A CB -0.456 18.467 19.000 -0.128 0.000 0.810 248 A HN 0.566 nan 8.150 nan 0.000 0.446 249 R N -1.233 119.192 120.500 -0.125 0.000 2.359 249 R HA 0.349 4.689 4.340 -0.000 0.000 0.231 249 R C 0.925 177.196 176.300 -0.049 0.000 0.913 249 R CA 0.609 56.652 56.100 -0.096 0.000 1.075 249 R CB -0.598 29.630 30.300 -0.120 0.000 1.087 249 R HN 0.707 nan 8.270 nan 0.000 0.515 250 G N 0.843 109.618 108.800 -0.042 0.000 2.246 250 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.273 250 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.273 250 G C 0.260 175.153 174.900 -0.012 0.000 1.055 250 G CA 0.166 45.251 45.100 -0.025 0.000 0.851 250 G HN 0.708 nan 8.290 nan 0.000 0.500 251 A N -0.386 122.426 122.820 -0.013 0.000 2.366 251 A HA 0.601 4.921 4.320 -0.000 0.000 0.249 251 A C 0.390 177.972 177.584 -0.003 0.000 1.084 251 A CA 0.321 52.360 52.037 0.004 0.000 0.794 251 A CB 0.333 19.335 19.000 0.003 0.000 1.034 251 A HN 1.413 nan 8.150 nan 0.000 0.491 252 H N 0.777 119.791 119.070 -0.093 0.000 2.668 252 H HA 0.524 5.080 4.556 -0.000 0.000 0.303 252 H C -0.732 174.480 175.328 -0.193 0.000 1.074 252 H CA -0.305 55.642 56.048 -0.168 0.000 1.406 252 H CB 0.161 29.781 29.762 -0.236 0.000 1.442 252 H HN 0.422 nan 8.280 nan 0.000 0.482 253 I N 7.104 127.267 120.570 -0.678 0.000 2.330 253 I HA 0.029 4.199 4.170 -0.000 0.000 0.289 253 I C 0.040 175.783 176.117 -0.624 0.000 1.001 253 I CA -0.475 60.541 61.300 -0.473 0.000 1.193 253 I CB 0.899 38.760 38.000 -0.233 0.000 1.345 253 I HN 0.754 nan 8.210 nan 0.000 0.461 254 Y N 5.116 125.208 120.300 -0.347 0.000 2.184 254 Y HA 0.179 4.729 4.550 -0.000 0.000 0.290 254 Y C 1.281 177.098 175.900 -0.139 0.000 1.129 254 Y CA 1.049 59.027 58.100 -0.204 0.000 1.144 254 Y CB 0.136 38.551 38.460 -0.075 0.000 0.995 254 Y HN 0.674 nan 8.280 nan 0.000 0.513 255 A N -0.804 122.049 122.820 0.055 0.000 2.544 255 A HA 0.422 4.742 4.320 -0.000 0.000 0.291 255 A C -1.492 176.089 177.584 -0.005 0.000 1.055 255 A CA -0.826 51.218 52.037 0.012 0.000 0.651 255 A CB 0.703 19.721 19.000 0.029 0.000 1.296 255 A HN 0.076 nan 8.150 nan 0.000 0.431 256 E N 0.554 120.749 120.200 -0.009 0.000 2.191 256 E HA 0.603 4.953 4.350 -0.000 0.000 0.278 256 E C -1.163 175.435 176.600 -0.004 0.000 0.972 256 E CA -0.596 55.798 56.400 -0.011 0.000 0.804 256 E CB 0.903 30.597 29.700 -0.010 0.000 1.110 256 E HN 0.492 nan 8.360 nan 0.000 0.394 257 I N 5.943 126.507 120.570 -0.009 0.000 2.308 257 I HA 0.026 4.196 4.170 -0.000 0.000 0.293 257 I C 1.053 177.181 176.117 0.019 0.000 1.078 257 I CA -0.280 61.019 61.300 -0.001 0.000 1.292 257 I CB 0.845 38.831 38.000 -0.023 0.000 1.423 257 I HN 0.522 nan 8.210 nan 0.000 0.493 258 V N 2.688 122.620 119.914 0.031 0.000 3.647 258 V HA 0.503 4.623 4.120 -0.000 0.000 0.279 258 V C 0.697 176.829 176.094 0.063 0.000 1.314 258 V CA 0.167 62.491 62.300 0.040 0.000 1.125 258 V CB -0.084 31.758 31.823 0.031 0.000 0.907 258 V HN 0.711 nan 8.190 nan 0.000 0.434 259 G N -0.455 108.394 108.800 0.082 0.000 2.759 259 G HA2 0.543 4.503 3.960 -0.000 0.000 0.297 259 G HA3 0.543 4.503 3.960 -0.000 0.000 0.297 259 G C -2.310 172.697 174.900 0.179 0.000 1.434 259 G CA -0.583 44.584 45.100 0.111 0.000 0.980 259 G HN 0.376 nan 8.290 nan 0.000 0.531 260 Y N 1.148 121.463 120.300 0.026 0.000 2.330 260 Y HA 0.673 5.223 4.550 -0.000 0.000 0.324 260 Y C -0.212 175.709 175.900 0.035 0.000 1.093 260 Y CA -1.110 57.004 58.100 0.023 0.000 1.103 260 Y CB 1.705 40.178 38.460 0.022 0.000 1.183 260 Y HN 0.869 nan 8.280 nan 0.000 0.433 261 G N 3.064 111.735 108.800 -0.215 0.000 2.452 261 G HA2 0.767 4.727 3.960 -0.000 0.000 0.324 261 G HA3 0.767 4.727 3.960 -0.000 0.000 0.324 261 G C -1.697 172.978 174.900 -0.375 0.000 1.214 261 G CA -0.624 44.289 45.100 -0.311 0.000 0.947 261 G HN 1.171 nan 8.290 nan 0.000 0.478 262 A N 1.473 124.100 122.820 -0.322 0.000 2.476 262 A HA 0.850 5.170 4.320 -0.000 0.000 0.280 262 A C -0.007 177.562 177.584 -0.025 0.000 1.081 262 A CA -0.059 51.933 52.037 -0.075 0.000 0.753 262 A CB 1.229 20.182 19.000 -0.079 0.000 1.248 262 A HN 1.546 nan 8.150 nan 0.000 0.424 263 T N -1.454 113.130 114.554 0.049 0.000 2.716 263 T HA 0.869 5.219 4.350 -0.000 0.000 0.286 263 T C -0.278 174.446 174.700 0.040 0.000 1.052 263 T CA -0.477 61.633 62.100 0.016 0.000 1.024 263 T CB 1.727 70.590 68.868 -0.008 0.000 1.349 263 T HN 1.411 nan 8.240 nan 0.000 0.525 264 S N -1.012 114.694 115.700 0.010 0.000 2.547 264 S HA 0.454 4.924 4.470 -0.000 0.000 0.281 264 S C -0.276 174.319 174.600 -0.009 0.000 1.118 264 S CA -0.606 57.602 58.200 0.012 0.000 0.947 264 S CB 1.624 64.828 63.200 0.007 0.000 1.053 264 S HN 0.688 nan 8.310 nan 0.000 0.482 265 D N 2.838 123.232 120.400 -0.011 0.000 2.123 265 D HA 0.148 4.787 4.640 -0.000 0.000 0.200 265 D C 1.482 177.771 176.300 -0.018 0.000 0.976 265 D CA 1.543 55.526 54.000 -0.028 0.000 0.831 265 D CB -0.518 40.263 40.800 -0.032 0.000 0.974 265 D HN 1.074 nan 8.370 nan 0.000 0.469 266 G N 0.138 108.934 108.800 -0.006 0.000 2.323 266 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.292 266 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.292 266 G C 0.615 175.510 174.900 -0.008 0.000 1.040 266 G CA 0.905 46.002 45.100 -0.005 0.000 0.942 266 G HN 0.627 nan 8.290 nan 0.000 0.506 267 A N -0.849 121.966 122.820 -0.008 0.000 1.795 267 A HA 0.691 5.011 4.320 -0.000 0.000 0.182 267 A C 0.435 178.014 177.584 -0.009 0.000 2.073 267 A CA 1.071 53.102 52.037 -0.011 0.000 1.402 267 A CB 0.262 19.252 19.000 -0.017 0.000 0.977 267 A HN 0.545 nan 8.150 nan 0.000 0.648 268 D N -1.153 119.240 120.400 -0.010 0.000 2.181 268 D HA 0.475 5.115 4.640 -0.000 0.000 0.248 268 D C 1.089 177.379 176.300 -0.017 0.000 1.020 268 D CA -0.490 53.500 54.000 -0.017 0.000 0.891 268 D CB 0.822 41.610 40.800 -0.021 0.000 1.187 268 D HN 0.127 nan 8.370 nan 0.000 0.443 269 M N 2.169 121.747 119.600 -0.036 0.000 2.254 269 M HA -0.019 4.461 4.480 -0.000 0.000 0.265 269 M C 1.028 177.252 176.300 -0.127 0.000 1.066 269 M CA 0.939 56.212 55.300 -0.045 0.000 1.123 269 M CB -0.020 32.548 32.600 -0.053 0.000 1.388 269 M HN 0.374 nan 8.290 nan 0.000 0.425 270 V N -1.548 118.237 119.914 -0.215 0.000 3.572 270 V HA 0.308 4.428 4.120 -0.000 0.000 0.260 270 V C 0.636 176.623 176.094 -0.179 0.000 1.324 270 V CA 0.241 62.254 62.300 -0.478 0.000 1.068 270 V CB 0.490 31.968 31.823 -0.575 0.000 0.837 270 V HN 0.260 nan 8.190 nan 0.000 0.450 271 A N 1.955 124.745 122.820 -0.050 0.000 2.325 271 A HA 0.814 5.134 4.320 -0.000 0.000 0.333 271 A C -2.728 174.880 177.584 0.040 0.000 1.155 271 A CA -1.665 50.392 52.037 0.034 0.000 0.814 271 A CB 0.791 19.804 19.000 0.022 0.000 1.206 271 A HN 0.143 nan 8.150 nan 0.000 0.482 272 P HA 0.154 nan 4.420 nan 0.000 0.278 272 P C 0.540 177.813 177.300 -0.044 0.000 1.238 272 P CA -0.106 62.980 63.100 -0.024 0.000 0.794 272 P CB 1.580 33.243 31.700 -0.062 0.000 0.955 273 S N 1.197 116.852 115.700 -0.075 0.000 2.478 273 S HA 0.170 4.640 4.470 -0.000 0.000 0.222 273 S C 1.610 176.167 174.600 -0.073 0.000 1.008 273 S CA 0.864 59.029 58.200 -0.058 0.000 0.928 273 S CB -0.926 62.242 63.200 -0.053 0.000 0.781 273 S HN 0.734 nan 8.310 nan 0.000 0.518 274 G N 1.827 110.550 108.800 -0.129 0.000 2.454 274 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.225 274 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.225 274 G C 0.932 175.763 174.900 -0.116 0.000 1.138 274 G CA 0.537 45.563 45.100 -0.124 0.000 0.667 274 G HN 0.452 nan 8.290 nan 0.000 0.512 275 E N 1.774 121.922 120.200 -0.086 0.000 2.077 275 E HA -0.078 4.272 4.350 -0.000 0.000 0.193 275 E C 2.644 179.194 176.600 -0.084 0.000 0.989 275 E CA 2.287 58.646 56.400 -0.069 0.000 0.800 275 E CB -0.985 28.685 29.700 -0.050 0.000 0.746 275 E HN 0.652 nan 8.360 nan 0.000 0.452 276 G N 0.638 109.374 108.800 -0.107 0.000 2.422 276 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.218 276 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.218 276 G C 1.720 176.542 174.900 -0.130 0.000 1.146 276 G CA 1.205 46.242 45.100 -0.104 0.000 0.769 276 G HN 0.423 nan 8.290 nan 0.000 0.547 277 A N 0.136 122.814 122.820 -0.236 0.000 1.930 277 A HA 0.130 4.450 4.320 -0.000 0.000 0.217 277 A C 2.579 180.127 177.584 -0.059 0.000 1.175 277 A CA 1.623 53.513 52.037 -0.247 0.000 0.627 277 A CB -0.477 18.213 19.000 -0.516 0.000 0.815 277 A HN 0.232 nan 8.150 nan 0.000 0.443 278 V N 0.029 119.903 119.914 -0.067 0.000 2.295 278 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 278 V C 2.635 178.703 176.094 -0.043 0.000 1.049 278 V CA 2.283 64.558 62.300 -0.043 0.000 1.024 278 V CB -0.783 31.011 31.823 -0.047 0.000 0.648 278 V HN 0.530 nan 8.190 nan 0.000 0.447 279 R N -1.103 119.370 120.500 -0.045 0.000 2.096 279 R HA -0.181 4.159 4.340 -0.000 0.000 0.235 279 R C 2.400 178.682 176.300 -0.030 0.000 1.127 279 R CA 1.662 57.738 56.100 -0.040 0.000 0.968 279 R CB -0.837 29.438 30.300 -0.042 0.000 0.861 279 R HN 0.564 nan 8.270 nan 0.000 0.440 280 C N 0.680 119.974 119.300 -0.010 0.000 2.432 280 C HA -0.054 4.406 4.460 -0.000 0.000 0.277 280 C C 2.598 177.604 174.990 0.027 0.000 1.249 280 C CA 0.820 59.849 59.018 0.018 0.000 1.725 280 C CB -0.642 27.153 27.740 0.091 0.000 2.028 280 C HN 0.461 nan 8.230 nan 0.000 0.477 281 M N 0.073 119.700 119.600 0.045 0.000 2.175 281 M HA -0.139 4.341 4.480 -0.000 0.000 0.264 281 M C 2.270 178.554 176.300 -0.027 0.000 1.063 281 M CA 1.739 57.060 55.300 0.035 0.000 1.119 281 M CB -0.444 32.184 32.600 0.047 0.000 1.377 281 M HN 0.379 nan 8.290 nan 0.000 0.415 282 K N 0.048 120.416 120.400 -0.054 0.000 2.057 282 K HA -0.134 4.186 4.320 -0.000 0.000 0.206 282 K C 1.991 178.588 176.600 -0.005 0.000 1.050 282 K CA 1.338 57.590 56.287 -0.058 0.000 0.935 282 K CB -0.215 32.250 32.500 -0.058 0.000 0.715 282 K HN 0.345 nan 8.250 nan 0.000 0.439 283 M N 0.514 120.106 119.600 -0.014 0.000 2.159 283 M HA -0.146 4.333 4.480 -0.000 0.000 0.263 283 M C 2.023 178.331 176.300 0.015 0.000 1.063 283 M CA 1.656 56.946 55.300 -0.017 0.000 1.110 283 M CB -0.055 32.504 32.600 -0.069 0.000 1.374 283 M HN 0.158 nan 8.290 nan 0.000 0.411 284 A N -0.025 122.803 122.820 0.013 0.000 2.066 284 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 284 A C 1.831 179.452 177.584 0.062 0.000 1.157 284 A CA 1.140 53.204 52.037 0.044 0.000 0.670 284 A CB -0.541 18.492 19.000 0.055 0.000 0.804 284 A HN 0.645 nan 8.150 nan 0.000 0.453 285 M N -0.826 118.802 119.600 0.046 0.000 2.428 285 M HA 0.082 4.562 4.480 -0.000 0.000 0.239 285 M C 0.486 176.805 176.300 0.031 0.000 1.121 285 M CA 0.004 55.323 55.300 0.031 0.000 1.019 285 M CB 0.031 32.619 32.600 -0.020 0.000 1.485 285 M HN 0.390 nan 8.290 nan 0.000 0.484 286 H N 0.909 119.969 119.070 -0.017 0.000 3.046 286 H HA 0.075 4.631 4.556 -0.000 0.000 0.303 286 H C 1.036 176.362 175.328 -0.003 0.000 1.002 286 H CA 1.941 57.980 56.048 -0.016 0.000 1.460 286 H CB 0.579 30.329 29.762 -0.019 0.000 1.493 286 H HN 0.591 nan 8.280 nan 0.000 0.559 287 G N 4.012 112.611 108.800 -0.335 0.000 2.179 287 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.260 287 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.260 287 G C 0.117 174.979 174.900 -0.064 0.000 0.977 287 G CA 0.286 45.290 45.100 -0.159 0.000 0.641 287 G HN 0.589 nan 8.290 nan 0.000 0.533 288 V N 1.962 121.849 119.914 -0.045 0.000 2.334 288 V HA 0.323 4.443 4.120 -0.000 0.000 0.267 288 V C 0.375 176.458 176.094 -0.018 0.000 1.040 288 V CA -0.089 62.206 62.300 -0.009 0.000 0.866 288 V CB 1.400 33.234 31.823 0.019 0.000 1.019 288 V HN 0.266 nan 8.190 nan 0.000 0.468 289 D N 2.707 123.097 120.400 -0.017 0.000 2.358 289 D HA 0.075 4.715 4.640 -0.000 0.000 0.224 289 D C 0.950 177.252 176.300 0.003 0.000 1.123 289 D CA 0.232 54.223 54.000 -0.014 0.000 0.833 289 D CB 0.761 41.547 40.800 -0.024 0.000 0.946 289 D HN 0.674 nan 8.370 nan 0.000 0.505 290 T N -0.711 113.852 114.554 0.015 0.000 2.925 290 T HA 0.519 4.869 4.350 -0.000 0.000 0.285 290 T C -2.460 172.265 174.700 0.043 0.000 1.021 290 T CA -1.725 60.389 62.100 0.024 0.000 1.042 290 T CB 2.465 71.346 68.868 0.021 0.000 1.037 290 T HN -0.201 nan 8.240 nan 0.000 0.481 291 P HA 0.302 nan 4.420 nan 0.000 0.274 291 P C -0.541 176.801 177.300 0.071 0.000 1.237 291 P CA -0.663 62.480 63.100 0.071 0.000 0.793 291 P CB 0.552 32.284 31.700 0.053 0.000 0.977 292 I N 2.892 123.521 120.570 0.099 0.000 2.379 292 I HA 0.032 4.202 4.170 -0.000 0.000 0.290 292 I C 1.315 177.422 176.117 -0.017 0.000 1.063 292 I CA 0.254 61.586 61.300 0.053 0.000 1.351 292 I CB 0.107 38.154 38.000 0.077 0.000 1.410 292 I HN 0.321 nan 8.210 nan 0.000 0.505 293 D N 5.103 125.512 120.400 0.016 0.000 2.213 293 D HA -0.088 4.552 4.640 -0.000 0.000 0.205 293 D C 0.064 176.408 176.300 0.073 0.000 0.961 293 D CA 1.378 55.394 54.000 0.027 0.000 0.853 293 D CB 0.428 41.253 40.800 0.042 0.000 0.967 293 D HN 0.515 nan 8.370 nan 0.000 0.496 294 Y N 0.152 120.402 120.300 -0.083 0.000 2.513 294 Y HA 0.474 5.024 4.550 -0.000 0.000 0.340 294 Y C -2.043 173.807 175.900 -0.084 0.000 1.055 294 Y CA -1.173 56.873 58.100 -0.091 0.000 1.020 294 Y CB 1.443 39.853 38.460 -0.083 0.000 1.301 294 Y HN -0.233 nan 8.280 nan 0.000 0.453 295 L N 6.795 127.439 121.223 -0.965 0.000 2.372 295 L HA 0.490 4.830 4.340 -0.000 0.000 0.274 295 L C -1.265 175.005 176.870 -1.000 0.000 0.988 295 L CA -0.548 53.837 54.840 -0.758 0.000 0.833 295 L CB 1.081 42.901 42.059 -0.398 0.000 1.236 295 L HN 0.809 nan 8.230 nan 0.000 0.410 296 N N 3.623 121.893 118.700 -0.716 0.000 2.469 296 N HA 0.130 4.870 4.740 -0.000 0.000 0.239 296 N C -0.363 175.044 175.510 -0.172 0.000 1.053 296 N CA -0.203 52.642 53.050 -0.342 0.000 0.937 296 N CB 1.049 39.497 38.487 -0.065 0.000 1.163 296 N HN 0.724 nan 8.380 nan 0.000 0.509 297 S N 2.643 118.286 115.700 -0.095 0.000 2.600 297 S HA -0.002 4.468 4.470 -0.000 0.000 0.265 297 S C 1.324 175.893 174.600 -0.051 0.000 1.325 297 S CA -0.223 57.966 58.200 -0.018 0.000 1.002 297 S CB 1.198 64.474 63.200 0.127 0.000 0.921 297 S HN 0.733 nan 8.310 nan 0.000 0.554 298 H N 2.148 121.111 119.070 -0.178 0.000 2.357 298 H HA 0.134 4.690 4.556 -0.000 0.000 0.301 298 H C 1.553 176.768 175.328 -0.188 0.000 1.082 298 H CA 1.293 57.184 56.048 -0.262 0.000 1.342 298 H CB -1.096 28.467 29.762 -0.331 0.000 1.389 298 H HN 1.046 nan 8.280 nan 0.000 0.511 299 G N 0.882 109.599 108.800 -0.138 0.000 2.500 299 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.309 299 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.309 299 G C 1.022 175.678 174.900 -0.407 0.000 0.236 299 G CA 1.007 45.942 45.100 -0.275 0.000 1.128 299 G HN 0.774 nan 8.290 nan 0.000 0.495 300 T N -1.213 113.098 114.554 -0.405 0.000 3.100 300 T HA 0.358 4.708 4.350 -0.000 0.000 0.253 300 T C 1.332 175.979 174.700 -0.088 0.000 1.118 300 T CA 1.006 62.900 62.100 -0.344 0.000 1.058 300 T CB 0.270 68.930 68.868 -0.346 0.000 0.953 300 T HN 1.829 nan 8.240 nan 0.000 0.515 301 S N 0.761 116.392 115.700 -0.114 0.000 3.807 301 S HA -0.127 4.343 4.470 -0.000 0.000 0.304 301 S C 0.171 174.805 174.600 0.056 0.000 1.152 301 S CA 0.557 58.724 58.200 -0.055 0.000 0.852 301 S CB -2.150 61.033 63.200 -0.028 0.000 0.924 301 S HN 1.277 nan 8.310 nan 0.000 0.545 302 T N -1.093 113.512 114.554 0.085 0.000 2.888 302 T HA 0.704 5.054 4.350 -0.000 0.000 0.284 302 T C -1.455 173.309 174.700 0.107 0.000 1.017 302 T CA -1.632 60.552 62.100 0.140 0.000 1.022 302 T CB 1.738 70.741 68.868 0.224 0.000 1.013 302 T HN -0.059 nan 8.240 nan 0.000 0.465 303 P HA -0.151 nan 4.420 nan 0.000 0.214 303 P C 1.675 179.028 177.300 0.088 0.000 1.169 303 P CA 0.798 63.947 63.100 0.082 0.000 0.908 303 P CB -0.038 31.705 31.700 0.072 0.000 0.791 304 V N -0.495 119.477 119.914 0.097 0.000 2.302 304 V HA -0.102 4.018 4.120 -0.000 0.000 0.243 304 V C 2.608 178.773 176.094 0.118 0.000 1.036 304 V CA 2.429 64.786 62.300 0.095 0.000 1.020 304 V CB -1.960 29.915 31.823 0.085 0.000 0.657 304 V HN 0.175 nan 8.190 nan 0.000 0.453 305 G N -0.023 108.868 108.800 0.152 0.000 2.476 305 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.218 305 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.218 305 G C 1.194 176.209 174.900 0.193 0.000 1.164 305 G CA 1.317 46.533 45.100 0.193 0.000 0.768 305 G HN 0.500 nan 8.290 nan 0.000 0.560 306 D N 0.095 120.585 120.400 0.150 0.000 2.116 306 D HA -0.150 4.489 4.640 -0.000 0.000 0.193 306 D C 2.910 179.362 176.300 0.254 0.000 0.998 306 D CA 1.913 56.008 54.000 0.158 0.000 0.836 306 D CB -0.597 40.243 40.800 0.067 0.000 0.951 306 D HN 0.376 nan 8.370 nan 0.000 0.449 307 V N -1.543 118.483 119.914 0.188 0.000 2.591 307 V HA -0.029 4.090 4.120 -0.000 0.000 0.249 307 V C 2.010 178.177 176.094 0.122 0.000 1.053 307 V CA 0.929 63.322 62.300 0.154 0.000 1.068 307 V CB -0.332 31.556 31.823 0.109 0.000 0.689 307 V HN -0.074 nan 8.190 nan 0.000 0.462 308 K N 0.919 121.386 120.400 0.113 0.000 2.057 308 K HA -0.187 4.133 4.320 -0.000 0.000 0.207 308 K C 2.210 178.859 176.600 0.083 0.000 1.049 308 K CA 2.133 58.464 56.287 0.074 0.000 0.931 308 K CB -0.339 32.192 32.500 0.052 0.000 0.714 308 K HN 0.779 nan 8.250 nan 0.000 0.440 309 E N 0.788 121.080 120.200 0.154 0.000 2.072 309 E HA -0.124 4.226 4.350 -0.000 0.000 0.191 309 E C 2.119 178.829 176.600 0.183 0.000 0.985 309 E CA 0.653 57.181 56.400 0.213 0.000 0.801 309 E CB 0.019 29.946 29.700 0.378 0.000 0.750 309 E HN 0.162 nan 8.360 nan 0.000 0.452 310 L N 0.405 121.731 121.223 0.172 0.000 2.083 310 L HA -0.166 4.174 4.340 -0.000 0.000 0.209 310 L C 2.683 179.601 176.870 0.080 0.000 1.083 310 L CA 1.031 55.935 54.840 0.106 0.000 0.752 310 L CB -0.533 41.566 42.059 0.068 0.000 0.899 310 L HN 0.249 nan 8.230 nan 0.000 0.433 311 A N 0.062 122.926 122.820 0.074 0.000 1.902 311 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 311 A C 2.535 180.151 177.584 0.053 0.000 1.181 311 A CA 1.657 53.725 52.037 0.052 0.000 0.623 311 A CB -0.594 18.429 19.000 0.039 0.000 0.818 311 A HN 0.401 nan 8.150 nan 0.000 0.443 312 A N -0.095 122.760 122.820 0.058 0.000 1.933 312 A HA -0.057 4.263 4.320 -0.000 0.000 0.218 312 A C 2.105 179.748 177.584 0.098 0.000 1.175 312 A CA 1.453 53.520 52.037 0.050 0.000 0.628 312 A CB -0.574 18.442 19.000 0.028 0.000 0.814 312 A HN 0.498 nan 8.150 nan 0.000 0.444 313 I N -0.913 119.750 120.570 0.154 0.000 2.226 313 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 313 I C 2.773 179.046 176.117 0.260 0.000 1.100 313 I CA 1.326 62.782 61.300 0.260 0.000 1.374 313 I CB -0.341 37.776 38.000 0.195 0.000 1.057 313 I HN 0.301 nan 8.210 nan 0.000 0.413 314 R N 0.378 120.962 120.500 0.141 0.000 2.081 314 R HA -0.161 4.179 4.340 -0.000 0.000 0.235 314 R C 2.250 178.603 176.300 0.088 0.000 1.131 314 R CA 1.141 57.306 56.100 0.109 0.000 0.960 314 R CB -0.242 30.094 30.300 0.059 0.000 0.856 314 R HN 0.329 nan 8.270 nan 0.000 0.436 315 E N 0.304 120.537 120.200 0.055 0.000 2.077 315 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 315 E C 2.136 178.720 176.600 -0.026 0.000 0.989 315 E CA 1.065 57.473 56.400 0.013 0.000 0.800 315 E CB -0.059 29.640 29.700 -0.001 0.000 0.746 315 E HN 0.131 nan 8.360 nan 0.000 0.452 316 V N 0.111 119.990 119.914 -0.059 0.000 2.323 316 V HA -0.184 3.936 4.120 -0.000 0.000 0.244 316 V C 1.908 177.779 176.094 -0.371 0.000 1.041 316 V CA 1.556 63.699 62.300 -0.262 0.000 1.025 316 V CB -0.442 31.123 31.823 -0.431 0.000 0.656 316 V HN 0.136 nan 8.190 nan 0.000 0.451 317 F N -0.282 119.670 119.950 0.003 0.000 2.714 317 F HA 0.481 5.008 4.527 -0.000 0.000 0.294 317 F C 1.882 177.681 175.800 -0.002 0.000 1.120 317 F CA 0.630 58.630 58.000 -0.001 0.000 1.398 317 F CB -0.487 38.511 39.000 -0.003 0.000 1.120 317 F HN 0.265 nan 8.300 nan 0.000 0.589 318 G N 0.999 109.891 108.800 0.152 0.000 2.629 318 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.313 318 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.313 318 G C 0.647 175.601 174.900 0.089 0.000 1.217 318 G CA 0.812 45.966 45.100 0.089 0.000 0.994 318 G HN 0.249 nan 8.290 nan 0.000 0.549 319 D N 1.257 121.697 120.400 0.066 0.000 2.340 319 D HA 0.145 4.785 4.640 -0.000 0.000 0.220 319 D C 1.313 177.645 176.300 0.053 0.000 1.039 319 D CA 0.508 54.536 54.000 0.048 0.000 0.866 319 D CB 0.218 41.038 40.800 0.032 0.000 0.913 319 D HN 0.238 nan 8.370 nan 0.000 0.523 320 K N 1.127 121.582 120.400 0.091 0.000 3.135 320 K HA 0.136 4.456 4.320 -0.000 0.000 0.210 320 K C -0.229 176.421 176.600 0.082 0.000 1.176 320 K CA -0.145 56.195 56.287 0.089 0.000 1.064 320 K CB 0.615 33.186 32.500 0.118 0.000 1.009 320 K HN 0.025 nan 8.250 nan 0.000 0.472 321 S N 1.202 116.905 115.700 0.005 0.000 2.565 321 S HA 0.419 4.889 4.470 -0.000 0.000 0.276 321 S C -1.679 172.758 174.600 -0.271 0.000 1.326 321 S CA -0.948 57.144 58.200 -0.181 0.000 1.045 321 S CB 0.851 63.987 63.200 -0.106 0.000 0.918 321 S HN 0.153 nan 8.310 nan 0.000 0.505 322 P HA 0.391 nan 4.420 nan 0.000 0.282 322 P C -0.544 176.640 177.300 -0.193 0.000 1.287 322 P CA -0.661 62.249 63.100 -0.316 0.000 0.792 322 P CB 0.468 31.908 31.700 -0.433 0.000 1.163 323 A N 0.522 123.295 122.820 -0.078 0.000 2.462 323 A HA 0.463 4.783 4.320 -0.000 0.000 0.243 323 A C 0.270 177.856 177.584 0.004 0.000 1.076 323 A CA -0.094 51.951 52.037 0.014 0.000 0.773 323 A CB -0.708 18.361 19.000 0.115 0.000 1.010 323 A HN 0.452 nan 8.150 nan 0.000 0.493 324 I N 1.380 121.952 120.570 0.004 0.000 2.647 324 I HA 0.556 4.726 4.170 -0.000 0.000 0.295 324 I C -0.031 176.154 176.117 0.112 0.000 1.078 324 I CA -0.279 60.996 61.300 -0.041 0.000 1.048 324 I CB 2.581 40.512 38.000 -0.115 0.000 1.239 324 I HN 0.777 nan 8.210 nan 0.000 0.421 325 S N 3.555 119.360 115.700 0.175 0.000 2.535 325 S HA 0.822 5.292 4.470 -0.000 0.000 0.272 325 S C -1.137 173.585 174.600 0.204 0.000 1.149 325 S CA -0.784 57.564 58.200 0.247 0.000 0.888 325 S CB 1.930 65.303 63.200 0.289 0.000 1.110 325 S HN 0.815 nan 8.310 nan 0.000 0.463 326 A N 2.246 125.175 122.820 0.181 0.000 2.322 326 A HA 0.605 4.925 4.320 -0.000 0.000 0.327 326 A C 1.152 178.740 177.584 0.006 0.000 1.394 326 A CA -0.204 51.862 52.037 0.049 0.000 0.921 326 A CB -0.085 18.857 19.000 -0.096 0.000 1.153 326 A HN 1.402 nan 8.150 nan 0.000 0.523 327 T N -0.054 114.509 114.554 0.015 0.000 3.051 327 T HA -0.085 4.265 4.350 -0.000 0.000 0.269 327 T C 1.342 175.999 174.700 -0.071 0.000 1.127 327 T CA 1.211 63.288 62.100 -0.038 0.000 1.107 327 T CB -0.293 68.538 68.868 -0.061 0.000 0.898 327 T HN 0.625 nan 8.240 nan 0.000 0.517 328 K N 1.088 121.439 120.400 -0.083 0.000 2.280 328 K HA 0.148 4.468 4.320 -0.000 0.000 0.202 328 K C 2.600 179.153 176.600 -0.078 0.000 1.047 328 K CA 0.881 57.108 56.287 -0.101 0.000 0.942 328 K CB -0.349 32.031 32.500 -0.199 0.000 0.739 328 K HN 0.494 nan 8.250 nan 0.000 0.457 329 A N 0.836 123.607 122.820 -0.082 0.000 2.019 329 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 329 A C 1.975 179.530 177.584 -0.048 0.000 1.164 329 A CA 1.375 53.373 52.037 -0.065 0.000 0.644 329 A CB -0.242 18.723 19.000 -0.057 0.000 0.805 329 A HN 0.200 nan 8.150 nan 0.000 0.449 330 M N -1.430 118.135 119.600 -0.059 0.000 2.556 330 M HA -0.031 4.449 4.480 -0.000 0.000 0.264 330 M C 2.334 178.603 176.300 -0.052 0.000 1.163 330 M CA 1.628 56.891 55.300 -0.061 0.000 1.186 330 M CB -0.030 32.511 32.600 -0.099 0.000 1.321 330 M HN 0.584 nan 8.290 nan 0.000 0.485 331 T N -2.218 112.300 114.554 -0.060 0.000 3.044 331 T HA 0.422 4.772 4.350 -0.000 0.000 0.255 331 T C 1.049 175.757 174.700 0.014 0.000 1.073 331 T CA 0.515 62.600 62.100 -0.026 0.000 1.125 331 T CB -0.027 68.837 68.868 -0.006 0.000 0.908 331 T HN 0.546 nan 8.240 nan 0.000 0.480 332 G N 0.959 109.771 108.800 0.019 0.000 2.710 332 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.668 332 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.668 332 G C -0.957 173.979 174.900 0.061 0.000 1.320 332 G CA -0.406 44.735 45.100 0.068 0.000 0.860 332 G HN 0.771 nan 8.290 nan 0.000 0.538 333 H N 0.881 119.922 119.070 -0.047 0.000 2.741 333 H HA 0.579 5.135 4.556 -0.000 0.000 0.282 333 H C 1.686 176.909 175.328 -0.175 0.000 1.122 333 H CA 0.037 55.960 56.048 -0.208 0.000 1.293 333 H CB 0.616 30.065 29.762 -0.522 0.000 1.415 333 H HN 0.838 nan 8.280 nan 0.000 0.472 334 S N 4.817 120.594 115.700 0.128 0.000 2.754 334 S HA 0.100 4.570 4.470 -0.000 0.000 0.223 334 S C 1.338 175.912 174.600 -0.045 0.000 0.951 334 S CA 0.024 58.229 58.200 0.008 0.000 0.954 334 S CB -0.594 62.603 63.200 -0.005 0.000 0.780 334 S HN 0.719 nan 8.310 nan 0.000 0.509 335 L N -0.176 120.964 121.223 -0.139 0.000 5.154 335 L HA -0.349 3.991 4.340 -0.000 0.000 0.053 335 L C 2.254 179.097 176.870 -0.045 0.000 3.137 335 L CA 1.435 56.113 54.840 -0.269 0.000 1.466 335 L CB -2.098 39.773 42.059 -0.313 0.000 2.980 335 L HN 0.425 nan 8.230 nan 0.000 0.938 336 G N -1.046 107.735 108.800 -0.032 0.000 2.462 336 G HA2 0.023 3.983 3.960 -0.000 0.000 0.220 336 G HA3 0.023 3.983 3.960 -0.000 0.000 0.220 336 G C 1.265 176.170 174.900 0.008 0.000 1.121 336 G CA 1.333 46.439 45.100 0.010 0.000 0.758 336 G HN 0.865 nan 8.290 nan 0.000 0.559 337 A N 0.304 123.123 122.820 -0.001 0.000 2.238 337 A HA 0.648 4.968 4.320 -0.000 0.000 0.210 337 A C 2.556 180.111 177.584 -0.048 0.000 1.179 337 A CA 1.275 53.300 52.037 -0.019 0.000 0.827 337 A CB -0.220 18.771 19.000 -0.015 0.000 0.856 337 A HN 0.533 nan 8.150 nan 0.000 0.488 338 A N 0.233 123.040 122.820 -0.021 0.000 1.883 338 A HA 0.056 4.376 4.320 -0.000 0.000 0.217 338 A C 2.364 179.890 177.584 -0.096 0.000 1.186 338 A CA 2.008 54.020 52.037 -0.041 0.000 0.624 338 A CB -1.381 17.620 19.000 0.002 0.000 0.822 338 A HN 0.694 nan 8.150 nan 0.000 0.444 339 G N -0.815 107.935 108.800 -0.083 0.000 2.514 339 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.217 339 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.217 339 G C 1.677 176.491 174.900 -0.145 0.000 1.198 339 G CA 1.497 46.529 45.100 -0.113 0.000 0.780 339 G HN 0.664 nan 8.290 nan 0.000 0.565 340 V N 0.263 120.093 119.914 -0.139 0.000 2.427 340 V HA -0.143 3.977 4.120 -0.000 0.000 0.248 340 V C 2.780 178.719 176.094 -0.258 0.000 1.051 340 V CA 2.617 64.817 62.300 -0.167 0.000 1.048 340 V CB -0.313 31.434 31.823 -0.126 0.000 0.666 340 V HN 0.541 nan 8.190 nan 0.000 0.456 341 Q N -0.488 119.129 119.800 -0.306 0.000 2.084 341 Q HA -0.254 4.086 4.340 -0.000 0.000 0.202 341 Q C 2.174 177.586 176.000 -0.980 0.000 0.978 341 Q CA 2.138 57.599 55.803 -0.569 0.000 0.844 341 Q CB -0.142 28.335 28.738 -0.434 0.000 0.898 341 Q HN 0.716 nan 8.270 nan 0.000 0.426 342 E N 0.330 120.202 120.200 -0.546 0.000 2.208 342 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 342 E C 1.872 178.349 176.600 -0.205 0.000 0.988 342 E CA 0.695 56.910 56.400 -0.309 0.000 0.828 342 E CB -0.005 29.648 29.700 -0.078 0.000 0.763 342 E HN 0.333 nan 8.360 nan 0.000 0.478 343 A N 0.935 123.623 122.820 -0.220 0.000 1.930 343 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 343 A C 2.115 179.598 177.584 -0.169 0.000 1.175 343 A CA 0.915 52.861 52.037 -0.152 0.000 0.627 343 A CB -0.430 18.480 19.000 -0.151 0.000 0.815 343 A HN 0.146 nan 8.150 nan 0.000 0.443 344 I N -1.482 118.924 120.570 -0.274 0.000 2.252 344 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 344 I C 2.301 178.351 176.117 -0.111 0.000 1.102 344 I CA 1.196 62.347 61.300 -0.249 0.000 1.385 344 I CB -0.428 37.390 38.000 -0.304 0.000 1.064 344 I HN 0.375 nan 8.210 nan 0.000 0.414 345 Y N 0.821 121.096 120.300 -0.042 0.000 2.165 345 Y HA -0.212 4.338 4.550 -0.000 0.000 0.286 345 Y C 2.950 178.827 175.900 -0.038 0.000 1.155 345 Y CA 0.911 58.999 58.100 -0.020 0.000 1.164 345 Y CB -1.383 37.075 38.460 -0.003 0.000 0.978 345 Y HN 0.100 nan 8.280 nan 0.000 0.513 346 S N 0.069 115.845 115.700 0.128 0.000 2.382 346 S HA -0.139 4.331 4.470 -0.000 0.000 0.228 346 S C 2.161 176.772 174.600 0.017 0.000 1.027 346 S CA 1.112 59.370 58.200 0.097 0.000 0.991 346 S CB -0.611 62.654 63.200 0.108 0.000 0.823 346 S HN 0.357 nan 8.310 nan 0.000 0.469 347 L N 0.928 122.142 121.223 -0.014 0.000 2.141 347 L HA -0.056 4.284 4.340 -0.000 0.000 0.209 347 L C 2.156 179.043 176.870 0.029 0.000 1.094 347 L CA 0.889 55.713 54.840 -0.027 0.000 0.763 347 L CB -0.495 41.476 42.059 -0.147 0.000 0.908 347 L HN 0.300 nan 8.230 nan 0.000 0.437 348 L N -1.144 120.115 121.223 0.060 0.000 2.056 348 L HA -0.206 4.134 4.340 -0.000 0.000 0.207 348 L C 2.621 179.574 176.870 0.138 0.000 1.078 348 L CA 1.224 56.193 54.840 0.215 0.000 0.749 348 L CB -0.333 41.884 42.059 0.265 0.000 0.901 348 L HN 0.302 nan 8.230 nan 0.000 0.433 349 M N -0.802 118.681 119.600 -0.196 0.000 2.117 349 M HA -0.227 4.253 4.480 -0.000 0.000 0.262 349 M C 2.283 178.417 176.300 -0.276 0.000 1.065 349 M CA 1.559 56.473 55.300 -0.645 0.000 1.114 349 M CB -0.282 31.841 32.600 -0.795 0.000 1.361 349 M HN 0.206 nan 8.290 nan 0.000 0.408 350 L N 0.528 121.681 121.223 -0.116 0.000 2.056 350 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 350 L C 2.243 179.108 176.870 -0.009 0.000 1.078 350 L CA 1.982 56.797 54.840 -0.041 0.000 0.749 350 L CB -0.567 41.493 42.059 0.003 0.000 0.901 350 L HN 0.204 nan 8.230 nan 0.000 0.433 351 E N -1.295 118.915 120.200 0.018 0.000 2.106 351 E HA -0.197 4.153 4.350 -0.000 0.000 0.192 351 E C 1.787 178.255 176.600 -0.220 0.000 0.984 351 E CA 1.509 57.870 56.400 -0.065 0.000 0.806 351 E CB -0.094 29.604 29.700 -0.002 0.000 0.750 351 E HN 0.626 nan 8.360 nan 0.000 0.458 352 H N -1.391 117.775 119.070 0.158 0.000 2.586 352 H HA 0.288 4.844 4.556 -0.000 0.000 0.273 352 H C 0.574 176.037 175.328 0.225 0.000 0.997 352 H CA 0.558 56.734 56.048 0.215 0.000 1.177 352 H CB 0.707 30.669 29.762 0.333 0.000 1.471 352 H HN 0.266 nan 8.280 nan 0.000 0.538 353 G N 1.967 110.877 108.800 0.184 0.000 2.351 353 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.297 353 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.297 353 G C -0.247 174.771 174.900 0.197 0.000 1.054 353 G CA 0.659 45.832 45.100 0.121 0.000 1.123 353 G HN 0.503 nan 8.290 nan 0.000 0.512 354 F N -1.850 118.082 119.950 -0.028 0.000 2.713 354 F HA 0.813 5.340 4.527 -0.000 0.000 0.311 354 F C -0.897 174.803 175.800 -0.166 0.000 1.141 354 F CA -2.307 55.651 58.000 -0.070 0.000 0.939 354 F CB 1.147 40.120 39.000 -0.045 0.000 1.325 354 F HN 0.063 nan 8.300 nan 0.000 0.453 355 I N 2.761 123.228 120.570 -0.171 0.000 2.389 355 I HA 0.611 4.781 4.170 -0.000 0.000 0.288 355 I C 0.080 176.146 176.117 -0.084 0.000 0.999 355 I CA -1.089 59.960 61.300 -0.418 0.000 1.129 355 I CB 1.657 39.477 38.000 -0.301 0.000 1.288 355 I HN 0.965 nan 8.210 nan 0.000 0.444 356 A N 9.320 132.040 122.820 -0.167 0.000 2.425 356 A HA 0.476 4.796 4.320 -0.000 0.000 0.249 356 A C -2.304 175.307 177.584 0.045 0.000 1.084 356 A CA -1.029 51.065 52.037 0.095 0.000 0.781 356 A CB -0.331 18.706 19.000 0.061 0.000 1.019 356 A HN 0.433 nan 8.150 nan 0.000 0.490 357 P HA 0.115 nan 4.420 nan 0.000 0.274 357 P C -0.313 177.020 177.300 0.056 0.000 1.231 357 P CA -0.206 62.925 63.100 0.052 0.000 0.790 357 P CB 1.145 32.866 31.700 0.035 0.000 0.951 358 S N 2.425 118.172 115.700 0.078 0.000 2.464 358 S HA 0.361 4.831 4.470 -0.000 0.000 0.313 358 S C 0.627 175.265 174.600 0.064 0.000 1.078 358 S CA -0.835 57.421 58.200 0.094 0.000 1.096 358 S CB -1.387 61.918 63.200 0.176 0.000 1.032 358 S HN 0.345 nan 8.310 nan 0.000 0.498 359 I N 1.878 122.465 120.570 0.027 0.000 3.156 359 I HA 0.478 4.648 4.170 -0.000 0.000 0.306 359 I C 0.385 176.504 176.117 0.002 0.000 1.048 359 I CA -0.550 60.757 61.300 0.011 0.000 1.207 359 I CB 0.303 38.299 38.000 -0.007 0.000 1.456 359 I HN 0.506 nan 8.210 nan 0.000 0.616 360 N N 0.859 119.554 118.700 -0.007 0.000 2.782 360 N HA -0.170 4.570 4.740 -0.000 0.000 0.251 360 N C -0.625 174.882 175.510 -0.005 0.000 1.101 360 N CA 0.965 54.000 53.050 -0.025 0.000 0.764 360 N CB -1.558 36.889 38.487 -0.066 0.000 1.122 360 N HN 0.605 nan 8.380 nan 0.000 0.561 361 I N 1.198 121.785 120.570 0.029 0.000 2.281 361 I HA 0.065 4.235 4.170 -0.000 0.000 0.293 361 I C 1.405 177.553 176.117 0.050 0.000 1.085 361 I CA -0.074 61.260 61.300 0.056 0.000 1.257 361 I CB 0.594 38.646 38.000 0.086 0.000 1.430 361 I HN 0.028 nan 8.210 nan 0.000 0.489 362 E N 3.982 124.216 120.200 0.057 0.000 2.216 362 E HA 0.028 4.378 4.350 -0.000 0.000 0.192 362 E C 0.437 177.083 176.600 0.077 0.000 0.973 362 E CA 0.468 56.902 56.400 0.058 0.000 0.851 362 E CB 0.568 30.300 29.700 0.052 0.000 0.804 362 E HN 0.530 nan 8.360 nan 0.000 0.477 363 E N 1.317 121.582 120.200 0.107 0.000 2.409 363 E HA 0.150 4.500 4.350 -0.000 0.000 0.259 363 E C -1.428 175.227 176.600 0.092 0.000 0.932 363 E CA -0.566 55.899 56.400 0.108 0.000 0.809 363 E CB 1.060 30.860 29.700 0.168 0.000 1.341 363 E HN -0.066 nan 8.360 nan 0.000 0.405 364 L N 4.248 125.513 121.223 0.069 0.000 2.499 364 L HA 0.089 4.429 4.340 -0.000 0.000 0.273 364 L C 0.237 177.139 176.870 0.053 0.000 1.195 364 L CA 0.535 55.414 54.840 0.065 0.000 0.882 364 L CB 0.610 42.693 42.059 0.039 0.000 1.133 364 L HN 0.561 nan 8.230 nan 0.000 0.483 365 D N 3.559 123.999 120.400 0.067 0.000 2.472 365 D HA -0.082 4.558 4.640 -0.000 0.000 0.237 365 D C 0.832 177.151 176.300 0.031 0.000 1.141 365 D CA 0.288 54.318 54.000 0.049 0.000 0.875 365 D CB 0.872 41.722 40.800 0.083 0.000 1.192 365 D HN 0.728 nan 8.370 nan 0.000 0.450 366 E N 2.005 122.217 120.200 0.020 0.000 2.097 366 E HA -0.251 4.098 4.350 -0.000 0.000 0.196 366 E C 1.680 178.288 176.600 0.013 0.000 1.000 366 E CA 1.141 57.550 56.400 0.015 0.000 0.804 366 E CB 0.032 29.740 29.700 0.013 0.000 0.740 366 E HN 0.588 nan 8.360 nan 0.000 0.454 367 Q N -0.433 119.380 119.800 0.021 0.000 2.488 367 Q HA 0.011 4.351 4.340 -0.000 0.000 0.211 367 Q C 1.534 177.536 176.000 0.004 0.000 0.967 367 Q CA 0.701 56.516 55.803 0.020 0.000 0.926 367 Q CB 0.231 28.990 28.738 0.036 0.000 0.992 367 Q HN 0.210 nan 8.270 nan 0.000 0.506 368 A N 0.516 123.330 122.820 -0.010 0.000 2.308 368 A HA 0.411 4.731 4.320 -0.000 0.000 0.217 368 A C 0.895 178.443 177.584 -0.061 0.000 1.216 368 A CA -0.014 51.983 52.037 -0.067 0.000 0.864 368 A CB 0.194 19.131 19.000 -0.105 0.000 0.902 368 A HN 0.258 nan 8.150 nan 0.000 0.499 369 A N -0.888 121.916 122.820 -0.027 0.000 2.511 369 A HA 0.442 4.762 4.320 -0.000 0.000 0.242 369 A C 1.669 179.238 177.584 -0.025 0.000 1.069 369 A CA 0.734 52.758 52.037 -0.021 0.000 0.763 369 A CB -0.496 18.500 19.000 -0.006 0.000 1.001 369 A HN 1.917 nan 8.150 nan 0.000 0.498 370 G N 0.985 109.770 108.800 -0.025 0.000 2.268 370 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.240 370 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.240 370 G C 0.255 175.134 174.900 -0.034 0.000 1.010 370 G CA 0.354 45.441 45.100 -0.022 0.000 0.618 370 G HN 0.805 nan 8.290 nan 0.000 0.516 371 L N 0.623 121.813 121.223 -0.055 0.000 2.439 371 L HA 0.430 4.770 4.340 -0.000 0.000 0.261 371 L C 0.733 177.556 176.870 -0.079 0.000 1.153 371 L CA -0.711 54.083 54.840 -0.077 0.000 0.808 371 L CB 0.729 42.717 42.059 -0.118 0.000 1.126 371 L HN 0.153 nan 8.230 nan 0.000 0.460 372 N N 2.458 121.109 118.700 -0.080 0.000 3.034 372 N HA 0.248 4.988 4.740 -0.000 0.000 0.265 372 N C -0.773 174.699 175.510 -0.064 0.000 1.166 372 N CA -0.074 52.940 53.050 -0.060 0.000 1.081 372 N CB -0.255 38.203 38.487 -0.048 0.000 1.378 372 N HN 0.382 nan 8.380 nan 0.000 0.520 373 I N 2.286 122.809 120.570 -0.078 0.000 2.301 373 I HA 0.133 4.303 4.170 -0.000 0.000 0.292 373 I C 0.028 176.143 176.117 -0.003 0.000 1.046 373 I CA -0.848 60.410 61.300 -0.070 0.000 1.282 373 I CB 1.084 38.992 38.000 -0.154 0.000 1.409 373 I HN -0.021 nan 8.210 nan 0.000 0.484 374 V N 6.002 125.939 119.914 0.038 0.000 2.479 374 V HA 0.025 4.145 4.120 -0.000 0.000 0.281 374 V C 1.307 177.434 176.094 0.054 0.000 1.031 374 V CA 0.239 62.567 62.300 0.047 0.000 1.038 374 V CB 0.848 32.708 31.823 0.061 0.000 0.981 374 V HN 0.915 nan 8.190 nan 0.000 0.478 375 T N 0.630 115.207 114.554 0.039 0.000 3.054 375 T HA 0.250 4.600 4.350 -0.000 0.000 0.255 375 T C 0.245 174.963 174.700 0.030 0.000 1.035 375 T CA -0.164 61.960 62.100 0.040 0.000 0.941 375 T CB -0.053 68.835 68.868 0.034 0.000 1.026 375 T HN 0.805 nan 8.240 nan 0.000 0.533 376 E N 0.624 120.841 120.200 0.027 0.000 2.314 376 E HA 0.471 4.821 4.350 -0.000 0.000 0.272 376 E C -1.355 175.262 176.600 0.028 0.000 0.884 376 E CA -1.095 55.317 56.400 0.020 0.000 0.753 376 E CB 1.097 30.805 29.700 0.013 0.000 1.213 376 E HN -0.131 nan 8.360 nan 0.000 0.432 377 T N 2.325 116.894 114.554 0.025 0.000 2.905 377 T HA 0.103 4.453 4.350 -0.000 0.000 0.299 377 T C -0.426 174.303 174.700 0.048 0.000 1.024 377 T CA 0.445 62.575 62.100 0.049 0.000 1.151 377 T CB 0.190 69.059 68.868 0.001 0.000 0.987 377 T HN 0.453 nan 8.240 nan 0.000 0.535 378 T N 4.069 118.671 114.554 0.080 0.000 2.881 378 T HA 0.244 4.594 4.350 -0.000 0.000 0.291 378 T C -0.583 174.171 174.700 0.089 0.000 0.990 378 T CA -0.925 61.209 62.100 0.057 0.000 0.976 378 T CB 1.233 70.119 68.868 0.031 0.000 0.970 378 T HN 0.454 nan 8.240 nan 0.000 0.438 379 D N 2.830 123.274 120.400 0.074 0.000 2.351 379 D HA 0.407 5.047 4.640 -0.000 0.000 0.251 379 D C 0.342 176.675 176.300 0.055 0.000 1.137 379 D CA 0.102 54.156 54.000 0.090 0.000 0.879 379 D CB 1.134 41.970 40.800 0.060 0.000 1.181 379 D HN 0.416 nan 8.370 nan 0.000 0.448 380 R N 1.336 121.867 120.500 0.052 0.000 2.633 380 R HA 0.080 4.420 4.340 -0.000 0.000 0.255 380 R C -1.281 175.028 176.300 0.016 0.000 1.106 380 R CA -0.579 55.534 56.100 0.022 0.000 0.959 380 R CB 1.240 31.542 30.300 0.003 0.000 1.259 380 R HN 0.266 nan 8.270 nan 0.000 0.453 381 E N 4.634 124.843 120.200 0.015 0.000 2.217 381 E HA 0.161 4.511 4.350 -0.000 0.000 0.279 381 E C -0.414 176.187 176.600 0.002 0.000 1.068 381 E CA 0.013 56.420 56.400 0.011 0.000 0.882 381 E CB 0.822 30.529 29.700 0.012 0.000 1.039 381 E HN 0.295 nan 8.360 nan 0.000 0.418 382 L N 2.220 123.438 121.223 -0.008 0.000 2.334 382 L HA 0.319 4.659 4.340 -0.000 0.000 0.275 382 L C 0.963 177.835 176.870 0.004 0.000 1.036 382 L CA -0.290 54.547 54.840 -0.006 0.000 0.807 382 L CB 1.669 43.710 42.059 -0.029 0.000 1.231 382 L HN 0.548 nan 8.230 nan 0.000 0.438 383 T N -1.426 113.136 114.554 0.014 0.000 3.075 383 T HA 0.092 4.442 4.350 -0.000 0.000 0.251 383 T C 0.219 174.932 174.700 0.021 0.000 0.979 383 T CA 0.288 62.396 62.100 0.014 0.000 1.033 383 T CB 0.706 69.582 68.868 0.012 0.000 1.104 383 T HN 0.579 nan 8.240 nan 0.000 0.473 384 T N 3.021 117.594 114.554 0.032 0.000 2.841 384 T HA 0.685 5.035 4.350 -0.000 0.000 0.285 384 T C -0.749 173.984 174.700 0.054 0.000 0.991 384 T CA -0.685 61.438 62.100 0.040 0.000 0.966 384 T CB 1.948 70.841 68.868 0.042 0.000 0.962 384 T HN 0.239 nan 8.240 nan 0.000 0.438 385 V N 1.218 121.166 119.914 0.057 0.000 2.914 385 V HA 0.863 4.983 4.120 -0.000 0.000 0.314 385 V C -0.672 175.438 176.094 0.027 0.000 1.084 385 V CA -1.221 61.120 62.300 0.068 0.000 0.963 385 V CB 2.178 34.087 31.823 0.142 0.000 1.025 385 V HN 0.970 nan 8.190 nan 0.000 0.432 386 M N 2.936 122.518 119.600 -0.030 0.000 2.530 386 M HA 0.764 5.244 4.480 -0.000 0.000 0.307 386 M C -0.972 175.274 176.300 -0.090 0.000 1.161 386 M CA -0.312 54.973 55.300 -0.026 0.000 0.903 386 M CB 2.240 34.854 32.600 0.023 0.000 1.711 386 M HN 0.999 nan 8.290 nan 0.000 0.451 387 S N 3.067 118.729 115.700 -0.064 0.000 2.672 387 S HA 0.568 5.038 4.470 -0.000 0.000 0.291 387 S C -1.484 173.039 174.600 -0.127 0.000 1.145 387 S CA -0.793 57.346 58.200 -0.100 0.000 1.013 387 S CB 0.989 64.141 63.200 -0.079 0.000 1.017 387 S HN 0.845 nan 8.310 nan 0.000 0.487 388 N N 2.082 120.664 118.700 -0.197 0.000 2.456 388 N HA 0.585 5.324 4.740 -0.000 0.000 0.296 388 N C -1.266 173.913 175.510 -0.551 0.000 1.102 388 N CA -0.398 52.411 53.050 -0.403 0.000 0.924 388 N CB 1.820 40.002 38.487 -0.508 0.000 1.186 388 N HN 0.497 nan 8.380 nan 0.000 0.492 389 S N 1.348 116.588 115.700 -0.767 0.000 2.720 389 S HA 0.541 5.011 4.470 -0.000 0.000 0.278 389 S C -1.339 172.840 174.600 -0.701 0.000 1.172 389 S CA -0.617 57.231 58.200 -0.586 0.000 1.019 389 S CB 0.346 63.376 63.200 -0.283 0.000 1.049 389 S HN 0.281 nan 8.310 nan 0.000 0.483 390 F N 1.118 120.688 119.950 -0.634 0.000 2.546 390 F HA 0.879 5.406 4.527 -0.000 0.000 0.320 390 F C 0.795 176.419 175.800 -0.294 0.000 1.076 390 F CA -0.951 56.770 58.000 -0.465 0.000 0.928 390 F CB 1.806 40.510 39.000 -0.494 0.000 1.189 390 F HN 0.648 nan 8.300 nan 0.000 0.465 391 G N 0.748 109.646 108.800 0.163 0.000 2.658 391 G HA2 0.561 4.520 3.960 -0.000 0.000 0.292 391 G HA3 0.561 4.520 3.960 -0.000 0.000 0.292 391 G C -1.213 173.897 174.900 0.349 0.000 1.320 391 G CA -0.874 44.342 45.100 0.192 0.000 0.933 391 G HN 0.475 nan 8.290 nan 0.000 0.476 392 F N 0.065 120.114 119.950 0.166 0.000 2.595 392 F HA 0.294 4.821 4.527 -0.000 0.000 0.359 392 F C 1.678 177.542 175.800 0.106 0.000 1.147 392 F CA 1.220 59.306 58.000 0.143 0.000 1.341 392 F CB 0.965 40.058 39.000 0.156 0.000 1.104 392 F HN 0.875 nan 8.300 nan 0.000 0.603 393 G N 1.084 110.035 108.800 0.251 0.000 2.157 393 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.248 393 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.248 393 G C 0.676 175.645 174.900 0.114 0.000 0.979 393 G CA 0.089 45.277 45.100 0.148 0.000 0.650 393 G HN 1.741 nan 8.290 nan 0.000 0.529 394 G N -1.015 107.861 108.800 0.127 0.000 2.273 394 G HA2 0.075 4.035 3.960 -0.000 0.000 0.280 394 G HA3 0.075 4.035 3.960 -0.000 0.000 0.280 394 G C 0.366 175.319 174.900 0.088 0.000 1.047 394 G CA 1.399 46.547 45.100 0.079 0.000 0.869 394 G HN 1.967 nan 8.290 nan 0.000 0.502 395 T N 0.317 114.959 114.554 0.146 0.000 2.799 395 T HA 0.577 4.927 4.350 -0.000 0.000 0.286 395 T C 0.070 174.918 174.700 0.247 0.000 0.973 395 T CA -0.575 61.637 62.100 0.187 0.000 1.035 395 T CB 0.379 69.378 68.868 0.219 0.000 0.932 395 T HN 0.333 nan 8.240 nan 0.000 0.469 396 N N 2.654 121.511 118.700 0.261 0.000 2.272 396 N HA 0.731 5.471 4.740 -0.000 0.000 0.305 396 N C -1.333 174.313 175.510 0.226 0.000 1.103 396 N CA -0.657 52.583 53.050 0.317 0.000 0.791 396 N CB 2.154 40.779 38.487 0.231 0.000 1.356 396 N HN 0.764 nan 8.380 nan 0.000 0.486 397 A N 0.585 123.457 122.820 0.086 0.000 2.488 397 A HA 0.730 5.050 4.320 -0.000 0.000 0.298 397 A C -0.978 176.586 177.584 -0.033 0.000 1.044 397 A CA -0.495 51.501 52.037 -0.067 0.000 0.693 397 A CB 1.402 20.124 19.000 -0.464 0.000 1.272 397 A HN 0.446 nan 8.150 nan 0.000 0.402 398 T N 2.299 116.880 114.554 0.044 0.000 2.921 398 T HA 0.614 4.964 4.350 -0.000 0.000 0.297 398 T C -0.910 173.855 174.700 0.107 0.000 1.013 398 T CA -0.257 61.867 62.100 0.041 0.000 0.990 398 T CB 0.937 69.847 68.868 0.070 0.000 1.023 398 T HN 0.510 nan 8.240 nan 0.000 0.447 399 L N 2.724 123.981 121.223 0.057 0.000 2.365 399 L HA 0.790 5.130 4.340 -0.000 0.000 0.273 399 L C -0.840 176.056 176.870 0.044 0.000 1.000 399 L CA -1.149 53.733 54.840 0.070 0.000 0.819 399 L CB 2.078 44.142 42.059 0.008 0.000 1.284 399 L HN 0.334 nan 8.230 nan 0.000 0.418 400 V N 3.861 123.811 119.914 0.059 0.000 2.487 400 V HA 0.531 4.651 4.120 -0.000 0.000 0.298 400 V C -0.157 175.958 176.094 0.036 0.000 1.028 400 V CA -0.359 61.970 62.300 0.049 0.000 0.860 400 V CB 1.821 33.683 31.823 0.064 0.000 0.991 400 V HN 0.716 nan 8.190 nan 0.000 0.427 401 M N 4.931 124.547 119.600 0.026 0.000 2.465 401 M HA 0.676 5.156 4.480 -0.000 0.000 0.316 401 M C -0.579 175.735 176.300 0.023 0.000 1.121 401 M CA -0.486 54.824 55.300 0.018 0.000 0.934 401 M CB 2.762 35.366 32.600 0.006 0.000 1.692 401 M HN 0.572 nan 8.290 nan 0.000 0.444 402 R N 1.379 121.889 120.500 0.017 0.000 2.673 402 R HA 0.467 4.807 4.340 -0.000 0.000 0.281 402 R C -1.112 175.191 176.300 0.005 0.000 0.991 402 R CA -0.782 55.327 56.100 0.015 0.000 0.896 402 R CB 2.065 32.374 30.300 0.015 0.000 1.201 402 R HN 0.651 nan 8.270 nan 0.000 0.457 403 K N 2.217 122.618 120.400 0.002 0.000 2.414 403 K HA 0.029 4.349 4.320 -0.000 0.000 0.272 403 K C -0.224 176.365 176.600 -0.018 0.000 0.993 403 K CA -0.067 56.214 56.287 -0.011 0.000 0.964 403 K CB 0.483 32.977 32.500 -0.011 0.000 0.925 403 K HN 0.242 nan 8.250 nan 0.000 0.487 404 L N 2.371 123.574 121.223 -0.034 0.000 2.400 404 L HA 0.231 4.571 4.340 -0.000 0.000 0.264 404 L C -0.734 176.116 176.870 -0.033 0.000 1.061 404 L CA -0.308 54.511 54.840 -0.034 0.000 0.799 404 L CB 0.992 43.021 42.059 -0.049 0.000 1.240 404 L HN 0.360 nan 8.230 nan 0.000 0.461 405 K N 2.210 122.593 120.400 -0.027 0.000 2.451 405 K HA 0.401 4.721 4.320 -0.000 0.000 0.280 405 K C -0.384 176.200 176.600 -0.027 0.000 1.020 405 K CA 0.254 56.528 56.287 -0.023 0.000 1.008 405 K CB -0.123 32.366 32.500 -0.018 0.000 0.917 405 K HN 0.619 nan 8.250 nan 0.000 0.478 406 D N 0.000 120.386 120.400 -0.023 0.000 6.856 406 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 406 D CA 0.000 53.987 54.000 -0.022 0.000 0.868 406 D CB 0.000 40.785 40.800 -0.024 0.000 0.688 406 D HN 0.000 nan 8.370 nan 0.000 0.683