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 1dd8_1_B 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 SACATSAHCI 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 0.011 0.000 1.140 1 M CA 0.000 55.309 55.300 0.014 0.000 0.988 1 M CB 0.000 32.608 32.600 0.013 0.000 1.302 2 K N 1.739 122.143 120.400 0.008 0.000 2.319 2 K HA 0.436 4.756 4.320 -0.000 0.000 0.265 2 K C -0.125 176.477 176.600 0.003 0.000 1.000 2 K CA 0.256 56.545 56.287 0.004 0.000 0.943 2 K CB 0.549 33.047 32.500 -0.003 0.000 0.950 2 K HN 0.270 nan 8.250 nan 0.000 0.485 3 R N 0.637 121.137 120.500 0.000 0.000 2.486 3 R HA 0.490 4.830 4.340 -0.000 0.000 0.286 3 R C -0.829 175.465 176.300 -0.011 0.000 0.999 3 R CA -0.841 55.258 56.100 -0.002 0.000 0.993 3 R CB 1.208 31.507 30.300 -0.001 0.000 1.084 3 R HN 0.208 nan 8.270 nan 0.000 0.487 4 V N 3.387 123.291 119.914 -0.015 0.000 2.540 4 V HA 0.461 4.581 4.120 -0.000 0.000 0.302 4 V C -0.196 175.879 176.094 -0.032 0.000 1.035 4 V CA -0.750 61.531 62.300 -0.031 0.000 0.873 4 V CB 1.708 33.507 31.823 -0.040 0.000 0.992 4 V HN 0.616 nan 8.190 nan 0.000 0.428 5 V N 2.352 122.243 119.914 -0.039 0.000 3.074 5 V HA 0.694 4.814 4.120 -0.000 0.000 0.314 5 V C -0.661 175.410 176.094 -0.038 0.000 1.117 5 V CA -0.955 61.325 62.300 -0.033 0.000 1.014 5 V CB 2.393 34.198 31.823 -0.031 0.000 1.057 5 V HN 0.655 nan 8.190 nan 0.000 0.438 6 I N 2.348 122.911 120.570 -0.012 0.000 2.339 6 I HA 0.427 4.597 4.170 -0.000 0.000 0.290 6 I C 0.964 177.142 176.117 0.102 0.000 0.994 6 I CA -0.061 61.241 61.300 0.004 0.000 1.191 6 I CB 2.129 40.117 38.000 -0.020 0.000 1.343 6 I HN 0.990 nan 8.210 nan 0.000 0.458 7 T N 0.726 115.329 114.554 0.082 0.000 3.085 7 T HA 0.442 4.792 4.350 -0.000 0.000 0.264 7 T C 0.402 175.251 174.700 0.249 0.000 1.019 7 T CA -0.398 61.784 62.100 0.136 0.000 0.910 7 T CB 0.459 69.349 68.868 0.036 0.000 1.059 7 T HN 0.730 nan 8.240 nan 0.000 0.542 8 G N 1.349 110.287 108.800 0.230 0.000 2.616 8 G HA2 0.547 4.507 3.960 -0.000 0.000 0.294 8 G HA3 0.547 4.507 3.960 -0.000 0.000 0.294 8 G C -2.098 172.811 174.900 0.015 0.000 1.489 8 G CA -0.940 44.287 45.100 0.212 0.000 0.836 8 G HN 0.659 nan 8.290 nan 0.000 0.527 9 L N -1.210 119.999 121.223 -0.022 0.000 2.465 9 L HA 1.054 5.394 4.340 -0.000 0.000 0.257 9 L C -0.073 176.759 176.870 -0.062 0.000 0.988 9 L CA -0.880 53.891 54.840 -0.116 0.000 0.827 9 L CB 1.910 43.801 42.059 -0.279 0.000 1.397 9 L HN 1.248 nan 8.230 nan 0.000 0.410 10 G N 1.032 109.788 108.800 -0.075 0.000 2.719 10 G HA2 0.779 4.739 3.960 -0.000 0.000 0.298 10 G HA3 0.779 4.739 3.960 -0.000 0.000 0.298 10 G C -2.023 172.842 174.900 -0.058 0.000 1.411 10 G CA -0.657 44.412 45.100 -0.052 0.000 0.991 10 G HN 0.995 nan 8.290 nan 0.000 0.509 11 I N 0.855 121.403 120.570 -0.037 0.000 2.787 11 I HA 0.588 4.758 4.170 -0.000 0.000 0.294 11 I C -1.546 174.555 176.117 -0.027 0.000 1.365 11 I CA -0.899 60.376 61.300 -0.042 0.000 1.029 11 I CB 2.338 40.310 38.000 -0.048 0.000 1.313 11 I HN 0.350 nan 8.210 nan 0.000 0.431 12 V N 6.634 126.517 119.914 -0.053 0.000 2.419 12 V HA 0.593 4.713 4.120 -0.000 0.000 0.287 12 V C -0.307 175.694 176.094 -0.155 0.000 1.017 12 V CA -0.113 62.133 62.300 -0.089 0.000 0.844 12 V CB 1.407 33.178 31.823 -0.088 0.000 1.011 12 V HN 0.853 nan 8.190 nan 0.000 0.429 13 S N 2.488 118.124 115.700 -0.107 0.000 2.806 13 S HA 0.451 4.921 4.470 -0.000 0.000 0.306 13 S C 1.174 175.716 174.600 -0.097 0.000 1.167 13 S CA 0.111 58.251 58.200 -0.101 0.000 0.847 13 S CB 1.633 64.849 63.200 0.027 0.000 1.216 13 S HN 0.836 nan 8.310 nan 0.000 0.532 14 S N 0.404 116.058 115.700 -0.076 0.000 2.447 14 S HA -0.064 4.406 4.470 -0.000 0.000 0.233 14 S C 1.500 176.078 174.600 -0.037 0.000 1.006 14 S CA 1.035 59.194 58.200 -0.069 0.000 0.957 14 S CB -1.138 62.032 63.200 -0.050 0.000 0.773 14 S HN 0.990 nan 8.310 nan 0.000 0.507 15 I N -2.325 118.231 120.570 -0.023 0.000 3.941 15 I HA 0.655 4.825 4.170 -0.000 0.000 0.335 15 I C 0.597 176.703 176.117 -0.019 0.000 1.402 15 I CA -0.373 60.909 61.300 -0.031 0.000 1.112 15 I CB 0.132 38.089 38.000 -0.072 0.000 1.043 15 I HN 0.307 nan 8.210 nan 0.000 0.395 16 G N 1.052 109.845 108.800 -0.011 0.000 2.402 16 G HA2 0.063 4.023 3.960 -0.000 0.000 0.301 16 G HA3 0.063 4.023 3.960 -0.000 0.000 0.301 16 G C -0.833 174.061 174.900 -0.010 0.000 1.615 16 G CA -0.615 44.482 45.100 -0.005 0.000 0.889 16 G HN -0.006 nan 8.290 nan 0.000 0.647 17 N N 0.326 119.021 118.700 -0.009 0.000 2.280 17 N HA 0.090 4.829 4.740 -0.000 0.000 0.192 17 N C 0.512 176.025 175.510 0.004 0.000 1.109 17 N CA 0.528 53.572 53.050 -0.010 0.000 0.855 17 N CB 0.241 38.726 38.487 -0.004 0.000 0.974 17 N HN 0.830 nan 8.380 nan 0.000 0.482 18 N N -1.093 117.613 118.700 0.010 0.000 3.020 18 N HA 0.010 4.750 4.740 -0.000 0.000 0.248 18 N C 0.299 175.825 175.510 0.026 0.000 1.480 18 N CA -0.481 52.579 53.050 0.017 0.000 0.874 18 N CB 1.036 39.534 38.487 0.018 0.000 1.433 18 N HN -0.181 nan 8.380 nan 0.000 0.530 19 Q N -0.253 119.567 119.800 0.034 0.000 2.226 19 Q HA -0.164 4.176 4.340 -0.000 0.000 0.204 19 Q C 0.960 176.984 176.000 0.039 0.000 0.975 19 Q CA 1.650 57.483 55.803 0.051 0.000 0.866 19 Q CB -0.214 28.565 28.738 0.068 0.000 0.915 19 Q HN 0.546 nan 8.270 nan 0.000 0.440 20 Q N 1.275 121.088 119.800 0.022 0.000 2.079 20 Q HA -0.105 4.235 4.340 -0.000 0.000 0.200 20 Q C 1.723 177.710 176.000 -0.022 0.000 0.974 20 Q CA 1.903 57.702 55.803 -0.007 0.000 0.840 20 Q CB 0.078 28.813 28.738 -0.005 0.000 0.898 20 Q HN 0.572 nan 8.270 nan 0.000 0.430 21 E N -0.410 119.785 120.200 -0.009 0.000 2.106 21 E HA -0.116 4.234 4.350 -0.000 0.000 0.192 21 E C 1.954 178.545 176.600 -0.015 0.000 0.984 21 E CA 1.074 57.464 56.400 -0.016 0.000 0.806 21 E CB 0.038 29.733 29.700 -0.008 0.000 0.750 21 E HN 0.104 nan 8.360 nan 0.000 0.458 22 V N 1.506 121.426 119.914 0.011 0.000 2.343 22 V HA -0.236 3.884 4.120 -0.000 0.000 0.247 22 V C 2.294 178.393 176.094 0.009 0.000 1.051 22 V CA 1.368 63.685 62.300 0.029 0.000 1.036 22 V CB -0.329 31.567 31.823 0.122 0.000 0.654 22 V HN 0.229 nan 8.190 nan 0.000 0.451 23 L N 0.856 122.083 121.223 0.007 0.000 2.046 23 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 23 L C 2.428 179.230 176.870 -0.113 0.000 1.077 23 L CA 2.448 57.271 54.840 -0.027 0.000 0.747 23 L CB -0.866 41.119 42.059 -0.122 0.000 0.896 23 L HN 0.219 nan 8.230 nan 0.000 0.432 24 A N -1.423 121.330 122.820 -0.111 0.000 1.902 24 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 24 A C 2.374 179.894 177.584 -0.106 0.000 1.181 24 A CA 1.966 53.928 52.037 -0.125 0.000 0.623 24 A CB -0.983 17.962 19.000 -0.091 0.000 0.818 24 A HN 0.537 nan 8.150 nan 0.000 0.443 25 S N 0.019 115.673 115.700 -0.076 0.000 2.356 25 S HA -0.111 4.359 4.470 -0.000 0.000 0.223 25 S C 1.839 176.395 174.600 -0.073 0.000 1.032 25 S CA 1.507 59.665 58.200 -0.071 0.000 1.005 25 S CB -0.511 62.647 63.200 -0.071 0.000 0.867 25 S HN 0.502 nan 8.310 nan 0.000 0.449 26 L N 0.865 122.053 121.223 -0.058 0.000 2.042 26 L HA -0.115 4.225 4.340 -0.000 0.000 0.210 26 L C 2.730 179.631 176.870 0.051 0.000 1.076 26 L CA 1.284 56.134 54.840 0.016 0.000 0.749 26 L CB -0.428 41.724 42.059 0.155 0.000 0.893 26 L HN 0.223 nan 8.230 nan 0.000 0.432 27 R N -0.050 120.373 120.500 -0.129 0.000 2.115 27 R HA -0.131 4.209 4.340 -0.000 0.000 0.230 27 R C 1.814 178.033 176.300 -0.136 0.000 1.111 27 R CA 1.139 57.070 56.100 -0.282 0.000 0.976 27 R CB -0.045 29.966 30.300 -0.481 0.000 0.870 27 R HN 0.463 nan 8.270 nan 0.000 0.445 28 E N -0.955 119.186 120.200 -0.099 0.000 2.474 28 E HA 0.088 4.438 4.350 -0.000 0.000 0.194 28 E C 0.562 177.138 176.600 -0.041 0.000 1.041 28 E CA 0.294 56.654 56.400 -0.067 0.000 0.874 28 E CB 0.764 30.425 29.700 -0.065 0.000 0.914 28 E HN 0.431 nan 8.360 nan 0.000 0.498 29 G N 2.634 111.413 108.800 -0.033 0.000 2.246 29 G HA2 -0.352 3.607 3.960 -0.000 0.000 0.273 29 G HA3 -0.352 3.607 3.960 -0.000 0.000 0.273 29 G C -0.001 174.880 174.900 -0.031 0.000 1.055 29 G CA 0.220 45.305 45.100 -0.025 0.000 0.851 29 G HN 0.167 nan 8.290 nan 0.000 0.500 30 R N 0.403 120.878 120.500 -0.040 0.000 2.347 30 R HA 0.440 4.780 4.340 -0.000 0.000 0.304 30 R C 0.775 177.054 176.300 -0.034 0.000 1.072 30 R CA 0.313 56.393 56.100 -0.034 0.000 0.980 30 R CB 0.532 30.810 30.300 -0.037 0.000 0.986 30 R HN 0.273 nan 8.270 nan 0.000 0.448 31 S N 1.817 117.506 115.700 -0.018 0.000 2.565 31 S HA 0.241 4.711 4.470 -0.000 0.000 0.276 31 S C 0.914 175.515 174.600 0.002 0.000 1.326 31 S CA -0.280 57.914 58.200 -0.009 0.000 1.045 31 S CB 1.287 64.490 63.200 0.005 0.000 0.918 31 S HN 0.774 nan 8.310 nan 0.000 0.505 32 G N 3.904 112.706 108.800 0.004 0.000 3.393 32 G HA2 0.240 4.200 3.960 -0.000 0.000 0.255 32 G HA3 0.240 4.200 3.960 -0.000 0.000 0.255 32 G C 0.092 175.024 174.900 0.053 0.000 1.097 32 G CA -0.265 44.844 45.100 0.015 0.000 0.780 32 G HN 0.614 nan 8.290 nan 0.000 0.540 33 I N 2.608 123.223 120.570 0.075 0.000 2.395 33 I HA 0.384 4.553 4.170 -0.000 0.000 0.289 33 I C 0.635 176.850 176.117 0.163 0.000 1.023 33 I CA -0.315 61.064 61.300 0.131 0.000 1.350 33 I CB 0.482 38.551 38.000 0.115 0.000 1.409 33 I HN 0.076 nan 8.210 nan 0.000 0.507 34 T N 2.657 117.360 114.554 0.249 0.000 2.887 34 T HA 0.558 4.908 4.350 -0.000 0.000 0.292 34 T C -0.570 174.279 174.700 0.248 0.000 1.087 34 T CA -0.731 61.524 62.100 0.258 0.000 1.009 34 T CB 1.850 70.887 68.868 0.282 0.000 1.203 34 T HN 0.224 nan 8.240 nan 0.000 0.518 35 F N 1.576 121.569 119.950 0.072 0.000 2.443 35 F HA 0.586 5.113 4.527 -0.000 0.000 0.353 35 F C 0.396 176.096 175.800 -0.166 0.000 1.101 35 F CA -0.213 57.772 58.000 -0.024 0.000 1.226 35 F CB 1.037 40.035 39.000 -0.003 0.000 1.140 35 F HN 0.677 nan 8.300 nan 0.000 0.557 36 S N 4.730 119.628 115.700 -1.335 0.000 2.474 36 S HA 0.191 4.660 4.470 -0.000 0.000 0.321 36 S C 0.522 174.329 174.600 -1.322 0.000 1.080 36 S CA -0.661 56.696 58.200 -1.404 0.000 1.106 36 S CB 1.342 63.229 63.200 -2.188 0.000 0.984 36 S HN 0.879 nan 8.310 nan 0.000 0.464 37 Q N 3.423 122.793 119.800 -0.716 0.000 2.167 37 Q HA -0.045 4.295 4.340 -0.000 0.000 0.202 37 Q C 1.756 177.543 176.000 -0.356 0.000 0.970 37 Q CA 2.015 57.604 55.803 -0.357 0.000 0.855 37 Q CB -0.140 28.581 28.738 -0.029 0.000 0.911 37 Q HN 0.909 nan 8.270 nan 0.000 0.438 38 E N -0.539 119.437 120.200 -0.373 0.000 2.051 38 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 38 E C 1.773 178.214 176.600 -0.264 0.000 0.991 38 E CA 1.195 57.463 56.400 -0.219 0.000 0.799 38 E CB -0.136 29.543 29.700 -0.036 0.000 0.748 38 E HN 0.440 nan 8.360 nan 0.000 0.449 39 L N 0.662 121.622 121.223 -0.438 0.000 2.056 39 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 39 L C 2.865 179.580 176.870 -0.259 0.000 1.078 39 L CA 1.403 56.084 54.840 -0.264 0.000 0.749 39 L CB -0.547 41.329 42.059 -0.305 0.000 0.901 39 L HN 0.156 nan 8.230 nan 0.000 0.433 40 K N 0.390 120.503 120.400 -0.479 0.000 2.002 40 K HA -0.217 4.103 4.320 -0.000 0.000 0.209 40 K C 1.686 178.077 176.600 -0.348 0.000 1.048 40 K CA 1.930 57.835 56.287 -0.637 0.000 0.930 40 K CB -0.028 32.009 32.500 -0.772 0.000 0.714 40 K HN 0.186 nan 8.250 nan 0.000 0.438 41 D N 0.285 120.510 120.400 -0.291 0.000 2.221 41 D HA -0.134 4.506 4.640 -0.000 0.000 0.204 41 D C 1.910 178.037 176.300 -0.288 0.000 0.982 41 D CA 1.533 55.392 54.000 -0.236 0.000 0.857 41 D CB -0.161 40.519 40.800 -0.199 0.000 0.934 41 D HN 0.376 nan 8.370 nan 0.000 0.475 42 S N -0.942 114.547 115.700 -0.352 0.000 2.481 42 S HA 0.113 4.583 4.470 -0.000 0.000 0.231 42 S C 1.750 176.170 174.600 -0.300 0.000 0.996 42 S CA 1.013 58.912 58.200 -0.502 0.000 0.942 42 S CB 0.187 63.030 63.200 -0.594 0.000 0.768 42 S HN 0.328 nan 8.310 nan 0.000 0.520 43 G N 0.482 109.178 108.800 -0.173 0.000 2.148 43 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.203 43 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.203 43 G C -0.034 174.867 174.900 0.001 0.000 0.993 43 G CA 0.066 45.117 45.100 -0.082 0.000 0.661 43 G HN 0.479 nan 8.290 nan 0.000 0.518 44 M N -0.584 119.038 119.600 0.037 0.000 2.227 44 M HA 0.460 4.939 4.480 -0.000 0.000 0.316 44 M C 1.806 178.201 176.300 0.158 0.000 1.144 44 M CA -0.151 55.205 55.300 0.094 0.000 1.121 44 M CB 0.646 33.312 32.600 0.109 0.000 1.440 44 M HN 0.138 nan 8.290 nan 0.000 0.473 45 R N -0.507 120.017 120.500 0.040 0.000 2.223 45 R HA 0.131 4.471 4.340 -0.000 0.000 0.198 45 R C 0.334 176.418 176.300 -0.360 0.000 0.984 45 R CA 0.150 56.189 56.100 -0.103 0.000 1.018 45 R CB 0.299 30.555 30.300 -0.073 0.000 0.945 45 R HN 0.513 nan 8.270 nan 0.000 0.479 46 S N 0.448 116.046 115.700 -0.169 0.000 2.452 46 S HA 0.151 4.621 4.470 -0.000 0.000 0.284 46 S C -0.173 174.385 174.600 -0.070 0.000 1.171 46 S CA -0.577 57.524 58.200 -0.165 0.000 1.064 46 S CB 0.300 63.463 63.200 -0.062 0.000 0.967 46 S HN 0.340 nan 8.310 nan 0.000 0.484 47 H N 2.669 121.676 119.070 -0.104 0.000 2.512 47 H HA 0.328 4.884 4.556 -0.000 0.000 0.276 47 H C -0.085 175.017 175.328 -0.378 0.000 1.126 47 H CA -0.621 55.249 56.048 -0.295 0.000 1.060 47 H CB 0.509 30.142 29.762 -0.214 0.000 1.646 47 H HN 0.430 nan 8.280 nan 0.000 0.571 48 V N -1.503 118.362 119.914 -0.081 0.000 2.769 48 V HA 0.631 4.751 4.120 -0.000 0.000 0.312 48 V C -1.190 174.976 176.094 0.121 0.000 1.061 48 V CA -0.947 61.348 62.300 -0.009 0.000 0.931 48 V CB 2.023 33.910 31.823 0.107 0.000 1.010 48 V HN 0.407 nan 8.190 nan 0.000 0.433 49 W N 1.201 122.512 121.300 0.019 0.000 3.146 49 W HA 0.804 5.464 4.660 -0.000 0.000 0.319 49 W C -0.355 176.181 176.519 0.029 0.000 1.258 49 W CA -1.693 55.666 57.345 0.023 0.000 1.189 49 W CB 0.893 30.362 29.460 0.014 0.000 1.412 49 W HN 1.016 nan 8.180 nan 0.000 0.567 50 G N 2.143 111.045 108.800 0.171 0.000 2.857 50 G HA2 0.402 4.361 3.960 -0.000 0.000 0.326 50 G HA3 0.402 4.361 3.960 -0.000 0.000 0.326 50 G C -0.499 174.276 174.900 -0.208 0.000 0.950 50 G CA -0.783 44.325 45.100 0.014 0.000 1.400 50 G HN 0.623 nan 8.290 nan 0.000 0.473 51 N N 0.113 118.615 118.700 -0.329 0.000 2.508 51 N HA 0.452 5.192 4.740 -0.000 0.000 0.285 51 N C -0.475 174.868 175.510 -0.279 0.000 1.144 51 N CA -0.895 51.847 53.050 -0.515 0.000 0.978 51 N CB 2.148 40.217 38.487 -0.698 0.000 1.180 51 N HN -0.004 nan 8.380 nan 0.000 0.484 52 V N 1.510 121.241 119.914 -0.306 0.000 2.455 52 V HA 0.067 4.187 4.120 -0.000 0.000 0.273 52 V C 0.229 176.245 176.094 -0.130 0.000 1.045 52 V CA -0.458 61.693 62.300 -0.250 0.000 0.976 52 V CB 0.569 32.130 31.823 -0.438 0.000 0.993 52 V HN 0.726 nan 8.190 nan 0.000 0.475 53 K N 6.310 126.665 120.400 -0.076 0.000 2.333 53 K HA 0.492 4.812 4.320 -0.000 0.000 0.241 53 K C -0.912 175.684 176.600 -0.006 0.000 1.193 53 K CA -0.354 55.920 56.287 -0.021 0.000 1.142 53 K CB 0.583 33.082 32.500 -0.003 0.000 1.731 53 K HN 0.423 nan 8.250 nan 0.000 0.344 54 L N 0.446 121.674 121.223 0.007 0.000 2.549 54 L HA 0.333 4.673 4.340 -0.000 0.000 0.259 54 L C -1.898 175.002 176.870 0.050 0.000 0.934 54 L CA -0.461 54.396 54.840 0.028 0.000 0.865 54 L CB 2.311 44.386 42.059 0.027 0.000 1.352 54 L HN 0.168 nan 8.230 nan 0.000 0.410 55 D N 1.664 122.091 120.400 0.045 0.000 2.359 55 D HA 0.310 4.950 4.640 -0.000 0.000 0.230 55 D C 0.762 177.089 176.300 0.046 0.000 1.118 55 D CA 0.316 54.343 54.000 0.045 0.000 0.844 55 D CB 1.477 42.297 40.800 0.034 0.000 1.059 55 D HN 0.680 nan 8.370 nan 0.000 0.493 56 T N -0.056 114.529 114.554 0.052 0.000 3.169 56 T HA 0.058 4.407 4.350 -0.000 0.000 0.250 56 T C 0.748 175.452 174.700 0.006 0.000 1.111 56 T CA -0.309 61.817 62.100 0.043 0.000 1.010 56 T CB -0.417 68.483 68.868 0.054 0.000 0.984 56 T HN 0.218 nan 8.240 nan 0.000 0.537 57 T N 2.501 117.058 114.554 0.004 0.000 2.829 57 T HA 0.431 4.781 4.350 -0.000 0.000 0.293 57 T C 1.528 176.219 174.700 -0.015 0.000 0.970 57 T CA 0.728 62.821 62.100 -0.013 0.000 1.168 57 T CB 0.205 69.070 68.868 -0.005 0.000 0.911 57 T HN 0.690 nan 8.240 nan 0.000 0.535 58 G N 2.806 111.586 108.800 -0.034 0.000 2.184 58 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.264 58 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.264 58 G C 0.873 175.758 174.900 -0.025 0.000 0.975 58 G CA 0.274 45.355 45.100 -0.033 0.000 0.642 58 G HN 0.689 nan 8.290 nan 0.000 0.536 59 L N -0.241 120.972 121.223 -0.017 0.000 2.478 59 L HA 0.347 4.687 4.340 -0.000 0.000 0.223 59 L C 1.167 178.036 176.870 -0.002 0.000 1.140 59 L CA 0.731 55.576 54.840 0.010 0.000 0.842 59 L CB -0.084 41.999 42.059 0.040 0.000 0.953 59 L HN 0.308 nan 8.230 nan 0.000 0.452 60 I N -1.104 119.417 120.570 -0.081 0.000 2.647 60 I HA 0.173 4.343 4.170 -0.000 0.000 0.295 60 I C -0.456 175.558 176.117 -0.172 0.000 1.078 60 I CA -0.986 60.205 61.300 -0.182 0.000 1.048 60 I CB 2.299 40.054 38.000 -0.409 0.000 1.239 60 I HN -0.208 nan 8.210 nan 0.000 0.421 61 D N 4.070 124.374 120.400 -0.160 0.000 2.533 61 D HA -0.014 4.626 4.640 -0.000 0.000 0.236 61 D C 1.295 177.502 176.300 -0.156 0.000 1.137 61 D CA 0.643 54.568 54.000 -0.126 0.000 0.867 61 D CB 0.952 41.691 40.800 -0.101 0.000 1.170 61 D HN 0.407 nan 8.370 nan 0.000 0.474 62 R N 2.767 123.190 120.500 -0.129 0.000 2.113 62 R HA -0.213 4.127 4.340 -0.000 0.000 0.244 62 R C 1.838 178.027 176.300 -0.185 0.000 1.142 62 R CA 1.854 57.863 56.100 -0.152 0.000 0.953 62 R CB -0.061 30.167 30.300 -0.119 0.000 0.860 62 R HN 0.494 nan 8.270 nan 0.000 0.438 63 K N -0.169 120.151 120.400 -0.134 0.000 2.283 63 K HA -0.059 4.260 4.320 -0.000 0.000 0.202 63 K C 1.860 178.423 176.600 -0.063 0.000 1.048 63 K CA 0.885 57.107 56.287 -0.107 0.000 0.948 63 K CB 0.231 32.708 32.500 -0.038 0.000 0.742 63 K HN 0.045 nan 8.250 nan 0.000 0.458 64 V N -0.118 119.732 119.914 -0.106 0.000 2.500 64 V HA -0.104 4.015 4.120 -0.000 0.000 0.243 64 V C 1.894 177.895 176.094 -0.154 0.000 1.039 64 V CA 0.911 63.154 62.300 -0.095 0.000 1.053 64 V CB 0.282 31.969 31.823 -0.228 0.000 0.695 64 V HN 0.080 nan 8.190 nan 0.000 0.463 65 V N 1.973 121.728 119.914 -0.266 0.000 2.759 65 V HA -0.203 3.917 4.120 -0.000 0.000 0.256 65 V C 2.696 178.586 176.094 -0.339 0.000 1.080 65 V CA 2.022 64.143 62.300 -0.299 0.000 1.101 65 V CB -0.588 31.062 31.823 -0.288 0.000 0.698 65 V HN 0.726 nan 8.190 nan 0.000 0.477 66 R N -0.860 119.358 120.500 -0.469 0.000 2.193 66 R HA -0.101 4.239 4.340 -0.000 0.000 0.229 66 R C 1.772 177.530 176.300 -0.904 0.000 1.110 66 R CA 2.058 57.670 56.100 -0.813 0.000 0.988 66 R CB -0.714 28.854 30.300 -1.221 0.000 0.871 66 R HN 0.501 nan 8.270 nan 0.000 0.458 67 F N 0.603 120.305 119.950 -0.412 0.000 2.754 67 F HA 0.326 4.853 4.527 -0.000 0.000 0.297 67 F C 0.849 176.504 175.800 -0.241 0.000 1.122 67 F CA -0.358 57.496 58.000 -0.243 0.000 1.400 67 F CB 0.237 39.156 39.000 -0.135 0.000 1.117 67 F HN -0.109 nan 8.300 nan 0.000 0.587 68 M N -0.146 119.368 119.600 -0.143 0.000 2.409 68 M HA 0.344 4.824 4.480 -0.000 0.000 0.329 68 M C 0.348 176.475 176.300 -0.289 0.000 1.180 68 M CA -0.650 54.544 55.300 -0.177 0.000 1.053 68 M CB 1.567 34.066 32.600 -0.168 0.000 1.586 68 M HN -0.062 nan 8.290 nan 0.000 0.461 69 S N -0.522 115.047 115.700 -0.219 0.000 2.758 69 S HA 0.360 4.830 4.470 -0.000 0.000 0.292 69 S C 0.267 174.780 174.600 -0.145 0.000 1.131 69 S CA -0.812 57.294 58.200 -0.156 0.000 0.997 69 S CB 1.115 64.306 63.200 -0.014 0.000 1.111 69 S HN 0.665 nan 8.310 nan 0.000 0.552 70 D N 1.115 121.429 120.400 -0.143 0.000 2.123 70 D HA -0.054 4.586 4.640 -0.000 0.000 0.196 70 D C 2.205 178.172 176.300 -0.556 0.000 0.992 70 D CA 1.840 55.572 54.000 -0.447 0.000 0.833 70 D CB -0.919 39.612 40.800 -0.447 0.000 0.954 70 D HN 0.674 nan 8.370 nan 0.000 0.455 71 A N 0.553 123.244 122.820 -0.214 0.000 1.917 71 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 71 A C 2.453 180.023 177.584 -0.022 0.000 1.182 71 A CA 2.163 54.170 52.037 -0.049 0.000 0.633 71 A CB -0.639 18.377 19.000 0.026 0.000 0.819 71 A HN 0.199 nan 8.150 nan 0.000 0.448 72 S N -0.323 115.352 115.700 -0.043 0.000 2.368 72 S HA -0.070 4.400 4.470 -0.000 0.000 0.224 72 S C 1.804 176.426 174.600 0.037 0.000 1.029 72 S CA 1.333 59.543 58.200 0.017 0.000 0.988 72 S CB -0.468 62.730 63.200 -0.003 0.000 0.838 72 S HN 0.540 nan 8.310 nan 0.000 0.462 73 I N 0.444 120.957 120.570 -0.095 0.000 2.179 73 I HA -0.216 3.954 4.170 -0.000 0.000 0.242 73 I C 2.099 178.282 176.117 0.110 0.000 1.088 73 I CA 1.338 62.596 61.300 -0.069 0.000 1.357 73 I CB -0.436 37.432 38.000 -0.219 0.000 1.051 73 I HN 0.254 nan 8.210 nan 0.000 0.409 74 Y N 0.847 121.185 120.300 0.062 0.000 2.181 74 Y HA -0.194 4.356 4.550 -0.000 0.000 0.288 74 Y C 2.675 178.613 175.900 0.064 0.000 1.146 74 Y CA 0.781 58.910 58.100 0.049 0.000 1.164 74 Y CB -1.354 37.114 38.460 0.013 0.000 0.982 74 Y HN 0.133 nan 8.280 nan 0.000 0.515 75 A N -0.668 122.290 122.820 0.230 0.000 1.930 75 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 75 A C 2.217 179.891 177.584 0.150 0.000 1.175 75 A CA 1.191 53.314 52.037 0.143 0.000 0.627 75 A CB -1.315 17.750 19.000 0.108 0.000 0.815 75 A HN 0.445 nan 8.150 nan 0.000 0.443 76 F N 0.603 120.601 119.950 0.079 0.000 2.134 76 F HA -0.124 4.403 4.527 -0.000 0.000 0.299 76 F C 1.893 177.767 175.800 0.123 0.000 1.097 76 F CA 1.679 59.757 58.000 0.130 0.000 1.264 76 F CB -0.123 38.941 39.000 0.106 0.000 1.001 76 F HN 0.135 nan 8.300 nan 0.000 0.479 77 L N -0.713 120.724 121.223 0.356 0.000 2.083 77 L HA -0.217 4.122 4.340 -0.000 0.000 0.209 77 L C 2.471 179.382 176.870 0.069 0.000 1.083 77 L CA 1.300 56.276 54.840 0.227 0.000 0.752 77 L CB -0.903 41.288 42.059 0.221 0.000 0.899 77 L HN 0.079 nan 8.230 nan 0.000 0.433 78 S N -0.362 115.364 115.700 0.043 0.000 2.383 78 S HA -0.190 4.280 4.470 -0.000 0.000 0.227 78 S C 1.920 176.454 174.600 -0.110 0.000 1.026 78 S CA 1.429 59.614 58.200 -0.024 0.000 0.981 78 S CB -0.182 63.007 63.200 -0.017 0.000 0.818 78 S HN 0.352 nan 8.310 nan 0.000 0.472 79 M N 1.531 121.008 119.600 -0.204 0.000 2.132 79 M HA -0.091 4.388 4.480 -0.000 0.000 0.263 79 M C 1.965 177.990 176.300 -0.459 0.000 1.065 79 M CA 1.435 56.477 55.300 -0.431 0.000 1.122 79 M CB -0.150 32.008 32.600 -0.737 0.000 1.365 79 M HN 0.207 nan 8.290 nan 0.000 0.411 80 E N -0.153 119.853 120.200 -0.322 0.000 2.085 80 E HA -0.270 4.080 4.350 -0.000 0.000 0.194 80 E C 2.055 178.591 176.600 -0.106 0.000 0.994 80 E CA 1.696 57.995 56.400 -0.168 0.000 0.801 80 E CB -0.199 29.485 29.700 -0.027 0.000 0.743 80 E HN 0.692 nan 8.360 nan 0.000 0.453 81 Q N -0.014 119.741 119.800 -0.074 0.000 2.079 81 Q HA -0.120 4.220 4.340 -0.000 0.000 0.200 81 Q C 2.198 178.174 176.000 -0.040 0.000 0.974 81 Q CA 1.251 57.034 55.803 -0.033 0.000 0.840 81 Q CB -0.122 28.606 28.738 -0.017 0.000 0.898 81 Q HN 0.217 nan 8.270 nan 0.000 0.430 82 A N 0.765 123.538 122.820 -0.077 0.000 1.930 82 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 82 A C 2.006 179.573 177.584 -0.029 0.000 1.175 82 A CA 1.038 53.049 52.037 -0.044 0.000 0.627 82 A CB -0.540 18.431 19.000 -0.047 0.000 0.815 82 A HN 0.294 nan 8.150 nan 0.000 0.443 83 I N -0.350 120.149 120.570 -0.118 0.000 2.252 83 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 83 I C 2.953 179.053 176.117 -0.028 0.000 1.102 83 I CA 1.034 62.259 61.300 -0.124 0.000 1.385 83 I CB -0.287 37.517 38.000 -0.327 0.000 1.064 83 I HN 0.353 nan 8.210 nan 0.000 0.414 84 A N 0.223 123.033 122.820 -0.016 0.000 1.898 84 A HA -0.281 4.038 4.320 -0.000 0.000 0.216 84 A C 1.993 179.599 177.584 0.036 0.000 1.181 84 A CA 2.242 54.292 52.037 0.021 0.000 0.620 84 A CB -0.668 18.345 19.000 0.021 0.000 0.819 84 A HN 0.429 nan 8.150 nan 0.000 0.442 85 D N -0.351 120.075 120.400 0.044 0.000 2.178 85 D HA 0.032 4.672 4.640 -0.000 0.000 0.202 85 D C 1.885 178.248 176.300 0.105 0.000 0.974 85 D CA 1.331 55.382 54.000 0.085 0.000 0.841 85 D CB -0.137 40.733 40.800 0.117 0.000 0.953 85 D HN 0.331 nan 8.370 nan 0.000 0.478 86 A N -0.623 122.248 122.820 0.084 0.000 2.119 86 A HA 0.352 4.672 4.320 -0.000 0.000 0.216 86 A C 1.858 179.481 177.584 0.065 0.000 1.152 86 A CA 1.165 53.251 52.037 0.081 0.000 0.708 86 A CB -0.551 18.478 19.000 0.047 0.000 0.805 86 A HN 0.485 nan 8.150 nan 0.000 0.460 87 G N -1.207 107.628 108.800 0.058 0.000 2.171 87 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.238 87 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.238 87 G C -0.099 174.845 174.900 0.074 0.000 1.039 87 G CA 0.241 45.374 45.100 0.056 0.000 0.759 87 G HN 0.436 nan 8.290 nan 0.000 0.501 88 L N 1.536 122.815 121.223 0.093 0.000 2.292 88 L HA 0.609 4.949 4.340 -0.000 0.000 0.284 88 L C 1.025 178.030 176.870 0.224 0.000 1.065 88 L CA -0.256 54.680 54.840 0.160 0.000 0.806 88 L CB 1.642 43.799 42.059 0.164 0.000 1.175 88 L HN 0.414 nan 8.230 nan 0.000 0.431 89 S N 1.791 117.624 115.700 0.222 0.000 2.608 89 S HA 0.480 4.950 4.470 -0.000 0.000 0.291 89 S C -2.084 172.615 174.600 0.165 0.000 1.146 89 S CA -1.481 56.827 58.200 0.181 0.000 1.043 89 S CB 1.798 65.052 63.200 0.090 0.000 1.037 89 S HN 0.337 nan 8.310 nan 0.000 0.520 90 P HA -0.242 nan 4.420 nan 0.000 0.217 90 P C 1.461 178.574 177.300 -0.312 0.000 1.158 90 P CA 1.625 64.546 63.100 -0.298 0.000 0.887 90 P CB -0.059 31.555 31.700 -0.143 0.000 0.792 91 E N -0.487 119.639 120.200 -0.124 0.000 2.333 91 E HA -0.113 4.237 4.350 -0.000 0.000 0.198 91 E C 1.726 178.293 176.600 -0.056 0.000 1.007 91 E CA 1.466 57.811 56.400 -0.091 0.000 0.845 91 E CB -0.922 28.752 29.700 -0.043 0.000 0.766 91 E HN 0.242 nan 8.360 nan 0.000 0.507 92 A N 0.914 123.732 122.820 -0.003 0.000 1.943 92 A HA -0.011 4.309 4.320 -0.000 0.000 0.213 92 A C 1.808 179.471 177.584 0.132 0.000 1.181 92 A CA 0.882 52.970 52.037 0.085 0.000 0.653 92 A CB -0.471 18.621 19.000 0.153 0.000 0.833 92 A HN 0.440 nan 8.150 nan 0.000 0.451 93 Y N -1.277 119.065 120.300 0.070 0.000 2.444 93 Y HA 0.440 4.990 4.550 -0.000 0.000 0.252 93 Y C 0.678 176.608 175.900 0.051 0.000 1.091 93 Y CA -0.612 57.543 58.100 0.092 0.000 1.276 93 Y CB -0.159 38.422 38.460 0.202 0.000 1.170 93 Y HN 0.172 nan 8.280 nan 0.000 0.517 94 Q N 2.053 121.552 119.800 -0.502 0.000 2.299 94 Q HA 0.175 4.515 4.340 -0.000 0.000 0.246 94 Q C -0.210 175.608 176.000 -0.303 0.000 0.935 94 Q CA -0.464 55.109 55.803 -0.384 0.000 0.887 94 Q CB 0.479 28.950 28.738 -0.445 0.000 1.223 94 Q HN 0.375 nan 8.270 nan 0.000 0.439 95 N N 2.013 120.431 118.700 -0.471 0.000 2.716 95 N HA -0.207 4.533 4.740 -0.000 0.000 0.250 95 N C -1.081 174.179 175.510 -0.415 0.000 1.033 95 N CA 0.728 53.261 53.050 -0.862 0.000 0.727 95 N CB -1.015 37.193 38.487 -0.466 0.000 0.950 95 N HN 0.572 nan 8.380 nan 0.000 0.541 96 N N 0.525 119.095 118.700 -0.217 0.000 2.491 96 N HA 0.260 5.000 4.740 -0.000 0.000 0.274 96 N C -1.730 173.824 175.510 0.073 0.000 1.023 96 N CA -1.911 51.126 53.050 -0.022 0.000 0.902 96 N CB 1.467 39.957 38.487 0.006 0.000 1.267 96 N HN -0.119 nan 8.380 nan 0.000 0.503 97 P HA -0.064 nan 4.420 nan 0.000 0.228 97 P C 0.400 177.737 177.300 0.062 0.000 1.151 97 P CA 0.758 63.928 63.100 0.117 0.000 0.770 97 P CB 0.466 32.226 31.700 0.099 0.000 0.786 98 R N -0.414 120.107 120.500 0.035 0.000 2.359 98 R HA 0.238 4.578 4.340 -0.000 0.000 0.231 98 R C 0.143 176.420 176.300 -0.039 0.000 0.913 98 R CA -0.047 56.048 56.100 -0.008 0.000 1.075 98 R CB 0.317 30.603 30.300 -0.023 0.000 1.087 98 R HN 0.134 nan 8.270 nan 0.000 0.515 99 V N 0.478 120.398 119.914 0.009 0.000 2.444 99 V HA 0.611 4.731 4.120 -0.000 0.000 0.294 99 V C 0.431 176.562 176.094 0.062 0.000 1.022 99 V CA -0.754 61.555 62.300 0.014 0.000 0.850 99 V CB 1.684 33.571 31.823 0.107 0.000 0.992 99 V HN 0.293 nan 8.190 nan 0.000 0.426 100 G N 3.272 112.080 108.800 0.012 0.000 3.042 100 G HA2 0.831 4.791 3.960 -0.000 0.000 0.278 100 G HA3 0.831 4.791 3.960 -0.000 0.000 0.278 100 G C -1.727 173.212 174.900 0.064 0.000 1.371 100 G CA -0.775 44.340 45.100 0.025 0.000 1.009 100 G HN 0.687 nan 8.290 nan 0.000 0.523 101 L N -0.198 121.022 121.223 -0.005 0.000 2.476 101 L HA 0.685 5.024 4.340 -0.000 0.000 0.269 101 L C -1.501 175.290 176.870 -0.132 0.000 0.965 101 L CA -0.663 54.176 54.840 -0.001 0.000 0.845 101 L CB 1.679 43.761 42.059 0.037 0.000 1.259 101 L HN 0.423 nan 8.230 nan 0.000 0.403 102 I N 5.402 125.894 120.570 -0.129 0.000 2.448 102 I HA 0.749 4.919 4.170 -0.000 0.000 0.281 102 I C -0.455 175.633 176.117 -0.049 0.000 1.027 102 I CA -0.293 60.907 61.300 -0.167 0.000 1.111 102 I CB 1.696 39.567 38.000 -0.216 0.000 1.236 102 I HN 0.675 nan 8.210 nan 0.000 0.452 103 A N 4.309 127.125 122.820 -0.007 0.000 2.520 103 A HA 0.966 5.286 4.320 -0.000 0.000 0.298 103 A C -0.618 176.996 177.584 0.050 0.000 1.051 103 A CA -0.453 51.596 52.037 0.019 0.000 0.690 103 A CB 1.881 20.888 19.000 0.012 0.000 1.281 103 A HN 0.743 nan 8.150 nan 0.000 0.402 104 G N -0.246 108.587 108.800 0.056 0.000 2.788 104 G HA2 0.821 4.781 3.960 -0.000 0.000 0.293 104 G HA3 0.821 4.781 3.960 -0.000 0.000 0.293 104 G C -0.602 174.334 174.900 0.061 0.000 1.392 104 G CA 0.157 45.298 45.100 0.068 0.000 0.810 104 G HN 1.882 nan 8.290 nan 0.000 0.508 105 S N -1.909 113.829 115.700 0.064 0.000 2.595 105 S HA 0.660 5.130 4.470 -0.000 0.000 0.281 105 S C 0.969 175.607 174.600 0.063 0.000 1.117 105 S CA 0.247 58.483 58.200 0.059 0.000 0.873 105 S CB 1.596 64.832 63.200 0.060 0.000 1.108 105 S HN 1.501 nan 8.310 nan 0.000 0.477 106 G N 0.025 108.859 108.800 0.056 0.000 2.430 106 G HA2 0.311 4.271 3.960 -0.000 0.000 0.216 106 G HA3 0.311 4.271 3.960 -0.000 0.000 0.216 106 G C 0.878 175.825 174.900 0.079 0.000 1.146 106 G CA 0.414 45.553 45.100 0.064 0.000 0.793 106 G HN 1.199 nan 8.290 nan 0.000 0.537 107 G N -1.323 107.524 108.800 0.078 0.000 3.274 107 G HA2 0.460 4.419 3.960 -0.000 0.000 0.250 107 G HA3 0.460 4.419 3.960 -0.000 0.000 0.250 107 G C 1.042 175.983 174.900 0.068 0.000 1.024 107 G CA 0.818 45.967 45.100 0.081 0.000 0.840 107 G HN 1.100 nan 8.290 nan 0.000 0.522 108 G N 0.374 109.213 108.800 0.066 0.000 2.557 108 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.292 108 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.292 108 G C 0.370 175.313 174.900 0.071 0.000 1.162 108 G CA 0.704 45.843 45.100 0.065 0.000 0.964 108 G HN 1.408 nan 8.290 nan 0.000 0.541 109 S N 1.464 117.215 115.700 0.084 0.000 2.312 109 S HA 0.645 5.115 4.470 -0.000 0.000 0.173 109 S C -1.422 173.226 174.600 0.081 0.000 1.488 109 S CA 0.088 58.354 58.200 0.110 0.000 1.239 109 S CB 1.696 65.020 63.200 0.207 0.000 1.215 109 S HN 0.266 nan 8.310 nan 0.000 0.438 110 P HA -0.080 nan 4.420 nan 0.000 0.218 110 P C 1.516 178.755 177.300 -0.101 0.000 1.149 110 P CA 0.625 63.703 63.100 -0.037 0.000 0.817 110 P CB 0.139 31.798 31.700 -0.068 0.000 0.785 111 R N -0.817 119.594 120.500 -0.149 0.000 2.091 111 R HA -0.128 4.212 4.340 -0.000 0.000 0.238 111 R C 1.736 177.838 176.300 -0.330 0.000 1.136 111 R CA 1.705 57.625 56.100 -0.301 0.000 0.959 111 R CB -0.913 29.161 30.300 -0.377 0.000 0.856 111 R HN 0.118 nan 8.270 nan 0.000 0.437 112 F N 0.666 120.624 119.950 0.014 0.000 2.615 112 F HA 0.040 4.567 4.527 -0.000 0.000 0.297 112 F C 2.454 178.344 175.800 0.150 0.000 1.124 112 F CA 0.357 58.414 58.000 0.094 0.000 1.451 112 F CB 0.143 39.160 39.000 0.029 0.000 1.103 112 F HN 0.047 nan 8.300 nan 0.000 0.569 113 Q N 0.054 119.967 119.800 0.187 0.000 2.016 113 Q HA -0.115 4.225 4.340 -0.000 0.000 0.200 113 Q C 2.607 178.663 176.000 0.094 0.000 0.978 113 Q CA 1.490 57.369 55.803 0.128 0.000 0.833 113 Q CB -0.864 27.913 28.738 0.066 0.000 0.895 113 Q HN 0.294 nan 8.270 nan 0.000 0.427 114 V N 1.196 121.135 119.914 0.042 0.000 2.358 114 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 114 V C 2.124 178.244 176.094 0.043 0.000 1.047 114 V CA 1.800 64.107 62.300 0.012 0.000 1.035 114 V CB -0.812 30.976 31.823 -0.058 0.000 0.658 114 V HN 0.248 nan 8.190 nan 0.000 0.452 115 F N 2.251 122.159 119.950 -0.070 0.000 2.095 115 F HA -0.091 4.436 4.527 -0.000 0.000 0.298 115 F C 2.168 177.987 175.800 0.032 0.000 1.104 115 F CA 1.904 59.880 58.000 -0.041 0.000 1.232 115 F CB -0.869 38.066 39.000 -0.108 0.000 0.987 115 F HN 0.127 nan 8.300 nan 0.000 0.475 116 G N -0.238 108.596 108.800 0.055 0.000 2.418 116 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 116 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 116 G C 1.793 176.617 174.900 -0.127 0.000 1.158 116 G CA 0.816 45.877 45.100 -0.065 0.000 0.771 116 G HN 0.653 nan 8.290 nan 0.000 0.545 117 A N 1.034 123.818 122.820 -0.059 0.000 1.898 117 A HA -0.022 4.297 4.320 -0.000 0.000 0.216 117 A C 2.101 179.633 177.584 -0.086 0.000 1.181 117 A CA 2.055 54.062 52.037 -0.050 0.000 0.620 117 A CB -0.381 18.611 19.000 -0.013 0.000 0.819 117 A HN 0.264 nan 8.150 nan 0.000 0.442 118 D N 0.146 120.478 120.400 -0.114 0.000 2.117 118 D HA -0.040 4.600 4.640 -0.000 0.000 0.197 118 D C 2.225 178.421 176.300 -0.174 0.000 0.987 118 D CA 1.517 55.448 54.000 -0.114 0.000 0.829 118 D CB -0.431 40.315 40.800 -0.090 0.000 0.961 118 D HN 0.413 nan 8.370 nan 0.000 0.460 119 A N 0.636 123.260 122.820 -0.326 0.000 1.902 119 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 119 A C 2.139 179.617 177.584 -0.177 0.000 1.181 119 A CA 1.684 53.525 52.037 -0.327 0.000 0.623 119 A CB -0.528 18.123 19.000 -0.581 0.000 0.818 119 A HN 0.167 nan 8.150 nan 0.000 0.443 120 M N -0.211 119.300 119.600 -0.148 0.000 2.213 120 M HA -0.079 4.401 4.480 -0.000 0.000 0.263 120 M C 1.755 178.019 176.300 -0.060 0.000 1.062 120 M CA 1.578 56.828 55.300 -0.084 0.000 1.105 120 M CB -0.410 32.153 32.600 -0.062 0.000 1.385 120 M HN 0.338 nan 8.290 nan 0.000 0.417 121 R N -0.036 120.428 120.500 -0.061 0.000 2.299 121 R HA 0.252 4.592 4.340 -0.000 0.000 0.197 121 R C 1.174 177.452 176.300 -0.037 0.000 0.971 121 R CA 0.420 56.496 56.100 -0.040 0.000 1.030 121 R CB -0.464 29.817 30.300 -0.031 0.000 0.932 121 R HN 0.471 nan 8.270 nan 0.000 0.477 122 G N 0.857 109.628 108.800 -0.049 0.000 2.563 122 G HA2 0.121 4.081 3.960 -0.000 0.000 0.283 122 G HA3 0.121 4.081 3.960 -0.000 0.000 0.283 122 G C -1.446 173.436 174.900 -0.029 0.000 1.309 122 G CA -1.020 44.057 45.100 -0.038 0.000 1.022 122 G HN -0.038 nan 8.290 nan 0.000 0.501 123 P HA -0.030 nan 4.420 nan 0.000 0.226 123 P C 1.160 178.451 177.300 -0.016 0.000 1.153 123 P CA 0.626 63.717 63.100 -0.015 0.000 0.777 123 P CB 0.353 32.048 31.700 -0.009 0.000 0.794 124 R N -0.584 119.904 120.500 -0.020 0.000 2.300 124 R HA 0.167 4.507 4.340 -0.000 0.000 0.199 124 R C 1.684 177.970 176.300 -0.023 0.000 0.920 124 R CA 0.716 56.805 56.100 -0.017 0.000 1.046 124 R CB -0.501 29.792 30.300 -0.013 0.000 0.984 124 R HN 0.204 nan 8.270 nan 0.000 0.493 125 G N 1.991 110.772 108.800 -0.033 0.000 2.634 125 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.309 125 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.309 125 G C 0.886 175.763 174.900 -0.038 0.000 1.265 125 G CA 0.454 45.533 45.100 -0.035 0.000 0.998 125 G HN 0.257 nan 8.290 nan 0.000 0.551 126 L N 0.324 121.530 121.223 -0.027 0.000 2.187 126 L HA -0.081 4.259 4.340 -0.000 0.000 0.213 126 L C 2.974 179.833 176.870 -0.019 0.000 1.100 126 L CA 2.130 56.956 54.840 -0.023 0.000 0.765 126 L CB -0.445 41.603 42.059 -0.019 0.000 0.904 126 L HN 0.533 nan 8.230 nan 0.000 0.437 127 K N -0.125 120.266 120.400 -0.016 0.000 2.148 127 K HA -0.086 4.234 4.320 -0.000 0.000 0.204 127 K C 2.184 178.787 176.600 0.006 0.000 1.050 127 K CA 1.188 57.471 56.287 -0.007 0.000 0.942 127 K CB -0.155 32.343 32.500 -0.004 0.000 0.724 127 K HN 0.285 nan 8.250 nan 0.000 0.446 128 A N 0.641 123.455 122.820 -0.009 0.000 1.970 128 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 128 A C 2.240 179.822 177.584 -0.003 0.000 1.170 128 A CA 0.826 52.859 52.037 -0.007 0.000 0.645 128 A CB -0.291 18.675 19.000 -0.056 0.000 0.816 128 A HN 0.039 nan 8.150 nan 0.000 0.447 129 V N -0.422 119.474 119.914 -0.029 0.000 2.270 129 V HA 0.213 4.332 4.120 -0.000 0.000 0.245 129 V C 1.618 177.802 176.094 0.149 0.000 1.043 129 V CA 1.164 63.474 62.300 0.017 0.000 1.014 129 V CB -1.962 29.858 31.823 -0.006 0.000 0.645 129 V HN 1.249 nan 8.190 nan 0.000 0.447 130 G N 0.478 109.311 108.800 0.055 0.000 2.746 130 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.685 130 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.685 130 G C -1.616 173.218 174.900 -0.109 0.000 1.350 130 G CA -0.108 44.988 45.100 -0.005 0.000 0.837 130 G HN 0.317 nan 8.290 nan 0.000 0.564 131 P HA 0.173 nan 4.420 nan 0.000 0.257 131 P C 0.344 177.335 177.300 -0.515 0.000 1.281 131 P CA 0.821 63.662 63.100 -0.431 0.000 0.826 131 P CB 0.020 31.403 31.700 -0.528 0.000 1.237 132 Y N -1.480 118.802 120.300 -0.030 0.000 2.467 132 Y HA 0.101 4.651 4.550 -0.000 0.000 0.250 132 Y C 2.283 178.153 175.900 -0.049 0.000 1.155 132 Y CA -0.220 57.832 58.100 -0.079 0.000 1.249 132 Y CB -0.555 37.746 38.460 -0.264 0.000 1.146 132 Y HN -0.278 nan 8.280 nan 0.000 0.524 133 V N -1.156 118.827 119.914 0.116 0.000 2.515 133 V HA -0.227 3.893 4.120 -0.000 0.000 0.250 133 V C 2.140 178.297 176.094 0.104 0.000 1.058 133 V CA 1.453 63.832 62.300 0.131 0.000 1.064 133 V CB -0.731 31.244 31.823 0.253 0.000 0.675 133 V HN 0.230 nan 8.190 nan 0.000 0.461 134 V N 1.235 121.209 119.914 0.099 0.000 2.287 134 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 134 V C 2.809 178.953 176.094 0.084 0.000 1.053 134 V CA 2.748 65.100 62.300 0.087 0.000 1.027 134 V CB -1.168 30.700 31.823 0.074 0.000 0.646 134 V HN 0.830 nan 8.190 nan 0.000 0.447 135 T N -2.378 112.246 114.554 0.117 0.000 2.995 135 T HA -0.142 4.208 4.350 -0.000 0.000 0.269 135 T C 1.742 176.468 174.700 0.042 0.000 1.091 135 T CA 1.121 63.280 62.100 0.099 0.000 1.128 135 T CB -0.220 68.755 68.868 0.179 0.000 0.891 135 T HN 0.455 nan 8.240 nan 0.000 0.492 136 K N 1.104 121.498 120.400 -0.009 0.000 2.076 136 K HA 0.289 4.609 4.320 -0.000 0.000 0.204 136 K C 2.625 179.230 176.600 0.010 0.000 1.051 136 K CA 1.070 57.284 56.287 -0.121 0.000 0.949 136 K CB -0.173 32.063 32.500 -0.440 0.000 0.726 136 K HN 0.428 nan 8.250 nan 0.000 0.443 137 A N 1.703 124.566 122.820 0.072 0.000 2.044 137 A HA 0.093 4.413 4.320 -0.000 0.000 0.213 137 A C 1.199 178.830 177.584 0.079 0.000 1.169 137 A CA -0.139 51.964 52.037 0.110 0.000 0.724 137 A CB -0.351 18.735 19.000 0.143 0.000 0.840 137 A HN 0.318 nan 8.150 nan 0.000 0.463 138 M N -1.425 118.214 119.600 0.064 0.000 2.252 138 M HA 0.434 4.914 4.480 -0.000 0.000 0.329 138 M C 0.929 177.261 176.300 0.054 0.000 1.101 138 M CA 0.491 55.824 55.300 0.055 0.000 1.117 138 M CB 0.459 33.088 32.600 0.048 0.000 1.563 138 M HN 0.063 nan 8.290 nan 0.000 0.445 139 A N 2.081 124.932 122.820 0.052 0.000 2.070 139 A HA -0.089 4.230 4.320 -0.000 0.000 0.220 139 A C 1.977 179.596 177.584 0.058 0.000 1.159 139 A CA 1.779 53.848 52.037 0.054 0.000 0.656 139 A CB -0.861 18.170 19.000 0.051 0.000 0.800 139 A HN 1.007 nan 8.150 nan 0.000 0.453 140 S N -1.088 114.646 115.700 0.056 0.000 2.614 140 S HA 0.314 4.784 4.470 -0.000 0.000 0.230 140 S C 1.605 176.237 174.600 0.053 0.000 0.952 140 S CA 0.535 58.773 58.200 0.062 0.000 0.949 140 S CB -0.231 63.009 63.200 0.067 0.000 0.786 140 S HN 0.546 nan 8.310 nan 0.000 0.478 141 G N 2.177 111.005 108.800 0.047 0.000 2.469 141 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.219 141 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.219 141 G C 1.292 176.216 174.900 0.041 0.000 1.150 141 G CA 1.242 46.365 45.100 0.037 0.000 0.763 141 G HN 0.482 nan 8.290 nan 0.000 0.561 142 V N 1.712 121.656 119.914 0.050 0.000 2.332 142 V HA -0.223 3.896 4.120 -0.000 0.000 0.248 142 V C 3.252 179.385 176.094 0.064 0.000 1.055 142 V CA 2.521 64.856 62.300 0.058 0.000 1.038 142 V CB -0.495 31.363 31.823 0.059 0.000 0.651 142 V HN 0.646 nan 8.190 nan 0.000 0.450 143 S N 0.592 116.327 115.700 0.058 0.000 2.388 143 S HA 0.010 4.480 4.470 -0.000 0.000 0.223 143 S C 2.143 176.775 174.600 0.053 0.000 1.034 143 S CA 0.954 59.185 58.200 0.052 0.000 0.963 143 S CB -0.424 62.805 63.200 0.049 0.000 0.827 143 S HN 0.526 nan 8.310 nan 0.000 0.481 144 A N 1.012 123.858 122.820 0.043 0.000 1.908 144 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 144 A C 2.386 179.975 177.584 0.008 0.000 1.181 144 A CA 1.647 53.696 52.037 0.019 0.000 0.627 144 A CB -1.545 17.457 19.000 0.002 0.000 0.818 144 A HN 0.698 nan 8.150 nan 0.000 0.445 145 C N -1.349 117.967 119.300 0.026 0.000 2.456 145 C HA 0.133 4.593 4.460 -0.000 0.000 0.279 145 C C 2.302 177.368 174.990 0.128 0.000 1.427 145 C CA 0.729 59.769 59.018 0.036 0.000 1.778 145 C CB -1.239 26.525 27.740 0.039 0.000 1.842 145 C HN 0.536 nan 8.230 nan 0.000 0.531 146 L N 0.354 121.677 121.223 0.166 0.000 2.388 146 L HA 0.254 4.594 4.340 -0.000 0.000 0.209 146 L C 2.620 179.650 176.870 0.267 0.000 1.061 146 L CA 1.498 56.513 54.840 0.292 0.000 0.834 146 L CB -1.066 41.122 42.059 0.216 0.000 1.029 146 L HN 0.165 nan 8.230 nan 0.000 0.473 147 A N -0.898 122.009 122.820 0.145 0.000 1.933 147 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 147 A C 2.300 179.962 177.584 0.130 0.000 1.175 147 A CA 2.376 54.490 52.037 0.129 0.000 0.628 147 A CB -0.924 18.125 19.000 0.081 0.000 0.814 147 A HN 0.400 nan 8.150 nan 0.000 0.444 148 T N 0.419 115.018 114.554 0.075 0.000 2.668 148 T HA -0.056 4.294 4.350 -0.000 0.000 0.262 148 T C -0.013 174.702 174.700 0.024 0.000 1.045 148 T CA 1.764 63.881 62.100 0.027 0.000 1.152 148 T CB -1.181 67.653 68.868 -0.056 0.000 0.864 148 T HN 0.405 nan 8.240 nan 0.000 0.419 149 P HA 0.022 nan 4.420 nan 0.000 0.217 149 P C 0.849 178.064 177.300 -0.141 0.000 1.150 149 P CA 0.949 63.992 63.100 -0.095 0.000 0.832 149 P CB -0.198 31.430 31.700 -0.121 0.000 0.787 150 F N -0.392 119.594 119.950 0.060 0.000 2.811 150 F HA 0.088 4.615 4.527 -0.000 0.000 0.301 150 F C 0.716 176.551 175.800 0.057 0.000 1.151 150 F CA 0.159 58.192 58.000 0.055 0.000 1.412 150 F CB -0.372 38.607 39.000 -0.035 0.000 1.113 150 F HN -0.238 nan 8.300 nan 0.000 0.579 151 K N 0.547 121.041 120.400 0.157 0.000 3.150 151 K HA -0.195 4.125 4.320 -0.000 0.000 0.267 151 K C -0.457 176.206 176.600 0.105 0.000 1.028 151 K CA 0.330 56.670 56.287 0.089 0.000 0.753 151 K CB -2.315 30.166 32.500 -0.032 0.000 1.288 151 K HN 0.204 nan 8.250 nan 0.000 0.473 152 I N 1.175 121.863 120.570 0.196 0.000 2.496 152 I HA 0.047 4.217 4.170 -0.000 0.000 0.285 152 I C 1.933 178.238 176.117 0.314 0.000 1.080 152 I CA 0.268 61.694 61.300 0.210 0.000 1.404 152 I CB 0.430 38.538 38.000 0.179 0.000 1.403 152 I HN 0.263 nan 8.210 nan 0.000 0.539 153 H N 3.239 122.349 119.070 0.067 0.000 2.874 153 H HA 0.169 4.725 4.556 -0.000 0.000 0.264 153 H C 1.355 176.702 175.328 0.033 0.000 1.007 153 H CA 0.003 56.076 56.048 0.042 0.000 1.207 153 H CB 1.428 31.210 29.762 0.033 0.000 1.487 153 H HN 0.770 nan 8.280 nan 0.000 0.505 154 G N 1.169 110.059 108.800 0.150 0.000 2.735 154 G HA2 0.204 4.164 3.960 -0.000 0.000 0.192 154 G HA3 0.204 4.164 3.960 -0.000 0.000 0.192 154 G C 0.233 175.154 174.900 0.036 0.000 1.547 154 G CA 0.104 45.248 45.100 0.073 0.000 1.080 154 G HN 0.122 nan 8.290 nan 0.000 0.569 155 V N -0.860 119.047 119.914 -0.011 0.000 2.999 155 V HA 0.465 4.585 4.120 -0.000 0.000 0.307 155 V C -0.211 175.814 176.094 -0.114 0.000 1.084 155 V CA -0.278 61.986 62.300 -0.061 0.000 1.155 155 V CB 1.217 32.947 31.823 -0.155 0.000 0.975 155 V HN 0.770 nan 8.190 nan 0.000 0.490 156 N N 3.093 121.727 118.700 -0.109 0.000 2.699 156 N HA 0.482 5.222 4.740 -0.000 0.000 0.271 156 N C -1.215 174.310 175.510 0.024 0.000 1.216 156 N CA -0.571 52.432 53.050 -0.077 0.000 0.844 156 N CB 1.150 39.648 38.487 0.018 0.000 1.462 156 N HN 1.031 nan 8.380 nan 0.000 0.555 157 Y N -1.065 119.254 120.300 0.030 0.000 2.741 157 Y HA 0.681 5.231 4.550 -0.000 0.000 0.339 157 Y C -1.274 174.642 175.900 0.028 0.000 1.226 157 Y CA -1.157 56.958 58.100 0.025 0.000 1.072 157 Y CB 0.564 39.035 38.460 0.019 0.000 1.331 157 Y HN 0.112 nan 8.280 nan 0.000 0.453 158 S N 1.641 117.526 115.700 0.308 0.000 2.501 158 S HA 0.687 5.157 4.470 -0.000 0.000 0.301 158 S C -0.826 173.906 174.600 0.220 0.000 1.096 158 S CA -0.709 57.612 58.200 0.203 0.000 1.063 158 S CB 1.047 64.321 63.200 0.123 0.000 1.042 158 S HN 0.517 nan 8.310 nan 0.000 0.494 159 I N 1.923 122.604 120.570 0.184 0.000 2.441 159 I HA 0.464 4.634 4.170 -0.000 0.000 0.295 159 I C -0.058 176.129 176.117 0.117 0.000 0.994 159 I CA -0.304 61.084 61.300 0.147 0.000 1.144 159 I CB 1.969 40.069 38.000 0.167 0.000 1.314 159 I HN 0.467 nan 8.210 nan 0.000 0.445 160 S N 3.035 118.792 115.700 0.094 0.000 2.557 160 S HA 0.602 5.072 4.470 -0.000 0.000 0.291 160 S C -0.356 174.308 174.600 0.108 0.000 1.116 160 S CA -0.422 57.837 58.200 0.097 0.000 0.992 160 S CB 1.104 64.351 63.200 0.078 0.000 1.028 160 S HN 0.684 nan 8.310 nan 0.000 0.484 161 S N 2.694 118.482 115.700 0.145 0.000 2.589 161 S HA 0.600 5.070 4.470 -0.000 0.000 0.210 161 S C 0.596 175.296 174.600 0.167 0.000 0.803 161 S CA 0.106 58.413 58.200 0.179 0.000 1.061 161 S CB -0.249 63.133 63.200 0.303 0.000 1.637 161 S HN 1.892 nan 8.310 nan 0.000 0.462 162 A N 0.848 123.742 122.820 0.123 0.000 5.236 162 A HA -0.354 3.966 4.320 -0.000 0.000 0.326 162 A C 1.775 179.388 177.584 0.049 0.000 1.825 162 A CA 1.488 53.573 52.037 0.080 0.000 0.710 162 A CB -2.270 16.791 19.000 0.101 0.000 1.383 162 A HN 1.475 nan 8.150 nan 0.000 0.386 163 C N 0.218 119.546 119.300 0.047 0.000 2.437 163 C HA 0.376 4.835 4.460 -0.000 0.000 0.283 163 C C 2.857 177.890 174.990 0.072 0.000 1.424 163 C CA 1.218 60.300 59.018 0.106 0.000 1.782 163 C CB -1.696 26.195 27.740 0.252 0.000 1.833 163 C HN 1.338 nan 8.230 nan 0.000 0.532 164 A N 0.238 123.088 122.820 0.049 0.000 2.308 164 A HA 0.116 4.435 4.320 -0.000 0.000 0.217 164 A C 1.907 179.490 177.584 -0.002 0.000 1.216 164 A CA 0.953 52.964 52.037 -0.043 0.000 0.864 164 A CB -0.652 18.296 19.000 -0.087 0.000 0.902 164 A HN 0.463 nan 8.150 nan 0.000 0.499 165 T N 1.481 116.091 114.554 0.093 0.000 2.527 165 T HA -0.273 4.077 4.350 -0.000 0.000 0.258 165 T C 2.178 176.930 174.700 0.085 0.000 1.175 165 T CA 2.697 64.870 62.100 0.122 0.000 1.168 165 T CB -0.541 68.378 68.868 0.084 0.000 0.860 165 T HN 0.811 nan 8.240 nan 0.000 0.429 166 S N 1.182 116.896 115.700 0.023 0.000 2.561 166 S HA 0.311 4.781 4.470 -0.000 0.000 0.225 166 S C 2.135 176.708 174.600 -0.044 0.000 0.977 166 S CA 0.603 58.799 58.200 -0.006 0.000 0.926 166 S CB -0.263 62.921 63.200 -0.027 0.000 0.769 166 S HN 0.560 nan 8.310 nan 0.000 0.533 167 A N 1.509 124.284 122.820 -0.074 0.000 1.935 167 A HA 0.111 4.431 4.320 -0.000 0.000 0.214 167 A C 1.867 179.395 177.584 -0.093 0.000 1.178 167 A CA 0.933 52.898 52.037 -0.120 0.000 0.640 167 A CB -0.826 18.069 19.000 -0.175 0.000 0.825 167 A HN 0.651 nan 8.150 nan 0.000 0.447 168 H N -1.616 117.478 119.070 0.040 0.000 2.389 168 H HA -0.115 4.440 4.556 -0.000 0.000 0.299 168 H C 2.168 177.482 175.328 -0.023 0.000 1.081 168 H CA 1.294 57.386 56.048 0.074 0.000 1.345 168 H CB -0.092 29.744 29.762 0.125 0.000 1.393 168 H HN 0.531 nan 8.280 nan 0.000 0.520 169 C N 0.299 119.657 119.300 0.096 0.000 2.429 169 C HA -0.138 4.322 4.460 -0.000 0.000 0.277 169 C C 2.679 177.628 174.990 -0.068 0.000 1.262 169 C CA 0.823 59.858 59.018 0.028 0.000 1.733 169 C CB -0.789 26.962 27.740 0.019 0.000 2.010 169 C HN 0.524 nan 8.230 nan 0.000 0.483 170 I N 0.942 121.440 120.570 -0.120 0.000 2.252 170 I HA -0.088 4.082 4.170 -0.000 0.000 0.245 170 I C 2.722 178.648 176.117 -0.318 0.000 1.102 170 I CA 1.768 62.957 61.300 -0.185 0.000 1.385 170 I CB -0.921 36.976 38.000 -0.171 0.000 1.064 170 I HN 0.440 nan 8.210 nan 0.000 0.414 171 G N 0.421 108.887 108.800 -0.556 0.000 2.408 171 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.217 171 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.217 171 G C 1.447 175.948 174.900 -0.664 0.000 1.150 171 G CA 0.717 45.045 45.100 -1.287 0.000 0.776 171 G HN 0.399 nan 8.290 nan 0.000 0.542 172 N N 0.832 119.374 118.700 -0.263 0.000 2.270 172 N HA -0.041 4.699 4.740 -0.000 0.000 0.181 172 N C 2.526 178.002 175.510 -0.057 0.000 1.016 172 N CA 0.888 53.919 53.050 -0.033 0.000 0.870 172 N CB -0.071 38.474 38.487 0.098 0.000 0.979 172 N HN 0.251 nan 8.380 nan 0.000 0.431 173 A N 0.792 123.543 122.820 -0.115 0.000 1.902 173 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 173 A C 2.399 179.915 177.584 -0.113 0.000 1.181 173 A CA 1.101 53.067 52.037 -0.119 0.000 0.623 173 A CB -0.763 18.152 19.000 -0.142 0.000 0.818 173 A HN 0.172 nan 8.150 nan 0.000 0.443 174 V N 0.280 120.110 119.914 -0.139 0.000 2.332 174 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 174 V C 2.396 178.465 176.094 -0.042 0.000 1.055 174 V CA 2.413 64.653 62.300 -0.101 0.000 1.038 174 V CB -0.904 30.843 31.823 -0.128 0.000 0.651 174 V HN 0.669 nan 8.190 nan 0.000 0.450 175 E N -0.619 119.571 120.200 -0.017 0.000 2.153 175 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 175 E C 2.349 178.960 176.600 0.017 0.000 0.988 175 E CA 0.929 57.350 56.400 0.034 0.000 0.811 175 E CB -0.159 29.590 29.700 0.082 0.000 0.746 175 E HN 0.540 nan 8.360 nan 0.000 0.466 176 Q N 0.244 120.043 119.800 -0.002 0.000 2.170 176 Q HA -0.100 4.240 4.340 -0.000 0.000 0.203 176 Q C 2.200 178.186 176.000 -0.024 0.000 0.976 176 Q CA 1.040 56.839 55.803 -0.007 0.000 0.858 176 Q CB -0.036 28.685 28.738 -0.028 0.000 0.907 176 Q HN 0.425 nan 8.270 nan 0.000 0.433 177 I N 0.332 120.878 120.570 -0.040 0.000 2.333 177 I HA -0.233 3.937 4.170 -0.000 0.000 0.246 177 I C 2.271 178.374 176.117 -0.023 0.000 1.106 177 I CA 0.738 62.009 61.300 -0.047 0.000 1.411 177 I CB -0.146 37.812 38.000 -0.070 0.000 1.082 177 I HN 0.182 nan 8.210 nan 0.000 0.420 178 Q N 0.100 119.895 119.800 -0.009 0.000 2.170 178 Q HA -0.179 4.161 4.340 -0.000 0.000 0.203 178 Q C 1.933 177.938 176.000 0.010 0.000 0.976 178 Q CA 1.116 56.923 55.803 0.006 0.000 0.858 178 Q CB -0.008 28.743 28.738 0.022 0.000 0.907 178 Q HN 0.328 nan 8.270 nan 0.000 0.433 179 L N -0.810 120.419 121.223 0.010 0.000 2.478 179 L HA 0.086 4.426 4.340 -0.000 0.000 0.223 179 L C 1.268 178.142 176.870 0.007 0.000 1.140 179 L CA 1.617 56.465 54.840 0.013 0.000 0.842 179 L CB -0.537 41.533 42.059 0.019 0.000 0.953 179 L HN 0.388 nan 8.230 nan 0.000 0.452 180 G N -0.834 107.965 108.800 -0.001 0.000 2.143 180 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.248 180 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.248 180 G C 1.355 176.252 174.900 -0.006 0.000 0.991 180 G CA 0.703 45.800 45.100 -0.004 0.000 0.689 180 G HN 0.392 nan 8.290 nan 0.000 0.522 181 K N -0.922 119.474 120.400 -0.007 0.000 2.262 181 K HA 0.128 4.448 4.320 -0.000 0.000 0.200 181 K C 1.024 177.612 176.600 -0.020 0.000 1.049 181 K CA 0.773 57.057 56.287 -0.005 0.000 0.979 181 K CB 0.087 32.591 32.500 0.007 0.000 0.773 181 K HN 0.435 nan 8.250 nan 0.000 0.474 182 Q N -0.392 119.382 119.800 -0.044 0.000 2.456 182 Q HA 0.159 4.499 4.340 -0.000 0.000 0.283 182 Q C -0.480 175.448 176.000 -0.120 0.000 1.084 182 Q CA -0.384 55.374 55.803 -0.075 0.000 0.801 182 Q CB 1.923 30.609 28.738 -0.087 0.000 1.434 182 Q HN -0.060 nan 8.270 nan 0.000 0.419 183 D N 0.012 120.299 120.400 -0.189 0.000 2.379 183 D HA 0.300 4.940 4.640 -0.000 0.000 0.218 183 D C 0.233 176.301 176.300 -0.387 0.000 1.006 183 D CA 0.731 54.537 54.000 -0.325 0.000 0.893 183 D CB 1.378 41.853 40.800 -0.540 0.000 1.019 183 D HN 0.348 nan 8.370 nan 0.000 0.503 184 I N 0.677 121.043 120.570 -0.340 0.000 2.619 184 I HA 0.278 4.448 4.170 -0.000 0.000 0.292 184 I C -1.210 174.689 176.117 -0.363 0.000 1.100 184 I CA -0.815 60.255 61.300 -0.385 0.000 1.043 184 I CB 3.362 41.088 38.000 -0.456 0.000 1.239 184 I HN -0.414 nan 8.210 nan 0.000 0.420 185 V N 5.576 125.245 119.914 -0.408 0.000 2.569 185 V HA 0.379 4.499 4.120 -0.000 0.000 0.301 185 V C -0.756 175.107 176.094 -0.386 0.000 1.044 185 V CA -0.594 61.517 62.300 -0.314 0.000 0.874 185 V CB 1.719 33.425 31.823 -0.196 0.000 1.002 185 V HN 0.388 nan 8.190 nan 0.000 0.424 186 F N 3.451 123.300 119.950 -0.169 0.000 2.445 186 F HA 0.667 5.194 4.527 -0.000 0.000 0.359 186 F C 0.770 176.471 175.800 -0.165 0.000 1.101 186 F CA 0.043 57.927 58.000 -0.193 0.000 1.177 186 F CB 1.085 39.934 39.000 -0.251 0.000 1.110 186 F HN 0.582 nan 8.300 nan 0.000 0.522 187 A N 2.677 125.487 122.820 -0.017 0.000 2.386 187 A HA 0.942 5.262 4.320 -0.000 0.000 0.311 187 A C 0.010 177.566 177.584 -0.047 0.000 1.068 187 A CA 0.090 52.098 52.037 -0.049 0.000 0.743 187 A CB 1.430 20.375 19.000 -0.092 0.000 1.258 187 A HN 1.006 nan 8.150 nan 0.000 0.429 188 G N -0.279 108.499 108.800 -0.037 0.000 2.512 188 G HA2 0.723 4.683 3.960 -0.000 0.000 0.181 188 G HA3 0.723 4.683 3.960 -0.000 0.000 0.181 188 G C -0.150 174.742 174.900 -0.014 0.000 1.173 188 G CA 0.425 45.502 45.100 -0.039 0.000 0.988 188 G HN 2.342 nan 8.290 nan 0.000 0.485 189 G N -2.164 106.633 108.800 -0.006 0.000 2.320 189 G HA2 0.804 4.764 3.960 -0.000 0.000 0.296 189 G HA3 0.804 4.764 3.960 -0.000 0.000 0.296 189 G C -0.516 174.408 174.900 0.039 0.000 1.306 189 G CA 0.715 45.827 45.100 0.021 0.000 0.836 189 G HN 2.115 nan 8.290 nan 0.000 0.517 190 G N -1.327 107.511 108.800 0.064 0.000 2.660 190 G HA2 0.700 4.659 3.960 -0.000 0.000 0.290 190 G HA3 0.700 4.659 3.960 -0.000 0.000 0.290 190 G C -1.952 173.012 174.900 0.107 0.000 1.432 190 G CA -0.258 44.909 45.100 0.112 0.000 0.807 190 G HN 0.747 nan 8.290 nan 0.000 0.485 191 E N -0.374 119.923 120.200 0.161 0.000 2.347 191 E HA 0.358 4.708 4.350 -0.000 0.000 0.285 191 E C -0.330 176.380 176.600 0.183 0.000 0.925 191 E CA -0.671 55.799 56.400 0.116 0.000 0.779 191 E CB 1.553 31.283 29.700 0.051 0.000 1.233 191 E HN 0.717 nan 8.360 nan 0.000 0.414 192 E N 3.073 123.337 120.200 0.107 0.000 2.345 192 E HA 0.409 4.759 4.350 -0.000 0.000 0.259 192 E C -0.774 175.870 176.600 0.073 0.000 1.117 192 E CA -0.819 55.637 56.400 0.094 0.000 0.913 192 E CB 1.133 30.843 29.700 0.016 0.000 1.057 192 E HN 0.247 nan 8.360 nan 0.000 0.432 193 L N 2.619 123.864 121.223 0.037 0.000 2.342 193 L HA 0.434 4.774 4.340 -0.000 0.000 0.276 193 L C -1.281 175.608 176.870 0.032 0.000 0.997 193 L CA -0.379 54.439 54.840 -0.036 0.000 0.838 193 L CB 0.707 42.596 42.059 -0.283 0.000 1.224 193 L HN 0.921 nan 8.230 nan 0.000 0.416 194 C N 2.123 121.502 119.300 0.132 0.000 3.285 194 C HA 0.450 4.910 4.460 -0.000 0.000 0.325 194 C C 1.078 176.166 174.990 0.164 0.000 1.304 194 C CA -0.975 58.128 59.018 0.142 0.000 1.319 194 C CB 0.743 28.439 27.740 -0.073 0.000 1.640 194 C HN 1.035 nan 8.230 nan 0.000 0.477 195 W N 0.922 122.329 121.300 0.178 0.000 2.425 195 W HA 0.039 4.699 4.660 -0.000 0.000 0.277 195 W C 1.019 177.599 176.519 0.101 0.000 1.231 195 W CA 1.754 59.171 57.345 0.120 0.000 1.248 195 W CB -0.925 28.571 29.460 0.059 0.000 1.117 195 W HN 0.867 nan 8.180 nan 0.000 0.568 196 E N 0.896 120.530 120.200 -0.943 0.000 2.118 196 E HA -0.247 4.103 4.350 -0.000 0.000 0.195 196 E C 2.315 178.765 176.600 -0.250 0.000 0.992 196 E CA 2.566 58.425 56.400 -0.902 0.000 0.804 196 E CB -0.598 28.579 29.700 -0.872 0.000 0.741 196 E HN 0.389 nan 8.360 nan 0.000 0.458 197 M N -0.687 118.859 119.600 -0.090 0.000 2.447 197 M HA 0.151 4.631 4.480 -0.000 0.000 0.266 197 M C 2.045 178.494 176.300 0.248 0.000 1.120 197 M CA 1.062 56.410 55.300 0.080 0.000 1.166 197 M CB 0.181 32.850 32.600 0.115 0.000 1.349 197 M HN 0.141 nan 8.290 nan 0.000 0.463 198 A N 0.501 123.477 122.820 0.260 0.000 1.933 198 A HA -0.217 4.102 4.320 -0.000 0.000 0.218 198 A C 2.340 180.109 177.584 0.308 0.000 1.175 198 A CA 1.755 53.991 52.037 0.331 0.000 0.628 198 A CB -1.726 17.441 19.000 0.279 0.000 0.814 198 A HN 0.874 nan 8.150 nan 0.000 0.444 199 C N -0.419 119.044 119.300 0.273 0.000 2.411 199 C HA -0.089 4.371 4.460 -0.000 0.000 0.279 199 C C 2.178 177.263 174.990 0.158 0.000 1.288 199 C CA 1.110 60.268 59.018 0.234 0.000 1.764 199 C CB -1.584 26.345 27.740 0.314 0.000 1.974 199 C HN 0.660 nan 8.230 nan 0.000 0.498 200 E N 0.446 120.713 120.200 0.110 0.000 2.110 200 E HA -0.114 4.235 4.350 -0.000 0.000 0.193 200 E C 1.761 178.313 176.600 -0.079 0.000 0.988 200 E CA 1.514 57.896 56.400 -0.030 0.000 0.804 200 E CB -0.326 29.279 29.700 -0.159 0.000 0.745 200 E HN 0.795 nan 8.360 nan 0.000 0.458 201 F N 0.903 120.911 119.950 0.096 0.000 2.293 201 F HA -0.090 4.437 4.527 -0.000 0.000 0.297 201 F C 2.172 177.990 175.800 0.031 0.000 1.089 201 F CA 0.848 58.903 58.000 0.092 0.000 1.377 201 F CB -0.030 39.004 39.000 0.056 0.000 1.051 201 F HN -0.046 nan 8.300 nan 0.000 0.511 202 D N 0.283 120.796 120.400 0.189 0.000 2.117 202 D HA -0.108 4.531 4.640 -0.000 0.000 0.198 202 D C 2.274 178.621 176.300 0.079 0.000 0.982 202 D CA 1.209 55.268 54.000 0.098 0.000 0.828 202 D CB -0.200 40.654 40.800 0.090 0.000 0.967 202 D HN 0.144 nan 8.370 nan 0.000 0.464 203 A N 0.421 123.288 122.820 0.078 0.000 2.019 203 A HA -0.117 4.203 4.320 -0.000 0.000 0.219 203 A C 2.231 179.845 177.584 0.050 0.000 1.164 203 A CA 1.418 53.488 52.037 0.055 0.000 0.644 203 A CB -0.674 18.354 19.000 0.047 0.000 0.805 203 A HN 0.406 nan 8.150 nan 0.000 0.449 204 M N -1.226 118.414 119.600 0.067 0.000 2.561 204 M HA 0.245 4.725 4.480 -0.000 0.000 0.238 204 M C 1.145 177.499 176.300 0.091 0.000 1.131 204 M CA 1.068 56.414 55.300 0.077 0.000 1.046 204 M CB 0.125 32.788 32.600 0.106 0.000 1.532 204 M HN 0.610 nan 8.290 nan 0.000 0.497 205 G N 0.305 109.154 108.800 0.082 0.000 2.143 205 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.248 205 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.248 205 G C 0.725 175.675 174.900 0.083 0.000 0.991 205 G CA 0.501 45.641 45.100 0.067 0.000 0.689 205 G HN 0.680 nan 8.290 nan 0.000 0.522 206 A N -0.804 122.087 122.820 0.119 0.000 2.067 206 A HA 0.601 4.921 4.320 -0.000 0.000 0.217 206 A C 1.367 178.848 177.584 -0.171 0.000 1.156 206 A CA 0.903 53.013 52.037 0.123 0.000 0.683 206 A CB 0.050 19.283 19.000 0.387 0.000 0.808 206 A HN 0.678 nan 8.150 nan 0.000 0.455 207 L N -0.110 120.977 121.223 -0.226 0.000 2.379 207 L HA 0.321 4.661 4.340 -0.000 0.000 0.269 207 L C 0.766 177.571 176.870 -0.110 0.000 1.084 207 L CA -0.533 54.121 54.840 -0.311 0.000 0.802 207 L CB 1.369 43.277 42.059 -0.252 0.000 1.175 207 L HN 0.163 nan 8.230 nan 0.000 0.448 208 S N -0.042 115.621 115.700 -0.062 0.000 2.549 208 S HA 0.172 4.642 4.470 -0.000 0.000 0.279 208 S C 0.731 175.335 174.600 0.007 0.000 1.321 208 S CA 0.080 58.307 58.200 0.044 0.000 1.054 208 S CB 0.493 63.770 63.200 0.128 0.000 0.899 208 S HN 0.817 nan 8.310 nan 0.000 0.497 209 T N 1.485 116.031 114.554 -0.013 0.000 3.009 209 T HA 0.329 4.679 4.350 -0.000 0.000 0.267 209 T C 0.912 175.526 174.700 -0.143 0.000 0.942 209 T CA -0.411 61.632 62.100 -0.095 0.000 0.883 209 T CB -0.106 68.697 68.868 -0.108 0.000 1.192 209 T HN 0.591 nan 8.240 nan 0.000 0.524 210 K N 0.325 120.601 120.400 -0.207 0.000 2.444 210 K HA 0.205 4.525 4.320 -0.000 0.000 0.193 210 K C -0.268 175.927 176.600 -0.675 0.000 1.024 210 K CA 0.474 56.475 56.287 -0.476 0.000 1.077 210 K CB 0.079 32.166 32.500 -0.688 0.000 0.833 210 K HN 0.504 nan 8.250 nan 0.000 0.517 211 Y N -0.366 119.933 120.300 -0.002 0.000 2.715 211 Y HA 0.205 4.755 4.550 -0.000 0.000 0.255 211 Y C 0.795 176.718 175.900 0.037 0.000 1.139 211 Y CA -0.680 57.431 58.100 0.018 0.000 1.151 211 Y CB 0.112 38.590 38.460 0.029 0.000 1.201 211 Y HN -0.015 nan 8.280 nan 0.000 0.556 212 N N 0.977 119.739 118.700 0.104 0.000 2.272 212 N HA -0.158 4.582 4.740 -0.000 0.000 0.185 212 N C 1.136 176.765 175.510 0.199 0.000 1.014 212 N CA 1.717 54.865 53.050 0.163 0.000 0.870 212 N CB -0.081 38.474 38.487 0.113 0.000 0.975 212 N HN 0.606 nan 8.380 nan 0.000 0.433 213 D N -0.473 119.995 120.400 0.113 0.000 2.347 213 D HA -0.040 4.600 4.640 -0.000 0.000 0.213 213 D C 0.318 176.662 176.300 0.074 0.000 0.985 213 D CA 0.528 54.563 54.000 0.059 0.000 0.879 213 D CB -0.372 40.439 40.800 0.018 0.000 0.919 213 D HN 0.184 nan 8.370 nan 0.000 0.526 214 T N -1.999 112.631 114.554 0.127 0.000 3.542 214 T HA 0.271 4.621 4.350 -0.000 0.000 0.276 214 T C -1.997 172.788 174.700 0.141 0.000 1.412 214 T CA -1.316 60.856 62.100 0.120 0.000 1.664 214 T CB 1.736 70.682 68.868 0.131 0.000 0.863 214 T HN -0.239 nan 8.240 nan 0.000 0.661 215 P HA -0.208 nan 4.420 nan 0.000 0.217 215 P C 1.134 178.495 177.300 0.102 0.000 1.151 215 P CA 1.399 64.591 63.100 0.153 0.000 0.849 215 P CB 0.265 32.078 31.700 0.189 0.000 0.787 216 E N -0.269 119.976 120.200 0.076 0.000 2.472 216 E HA -0.098 4.252 4.350 -0.000 0.000 0.200 216 E C 1.383 177.982 176.600 -0.002 0.000 1.046 216 E CA 0.673 57.097 56.400 0.040 0.000 0.871 216 E CB -0.158 29.563 29.700 0.034 0.000 0.806 216 E HN 0.456 nan 8.360 nan 0.000 0.533 217 K N -0.568 119.819 120.400 -0.021 0.000 2.402 217 K HA 0.240 4.560 4.320 -0.000 0.000 0.204 217 K C 1.537 177.952 176.600 -0.309 0.000 1.056 217 K CA 0.145 56.356 56.287 -0.127 0.000 1.069 217 K CB 0.960 33.399 32.500 -0.101 0.000 0.888 217 K HN -0.045 nan 8.250 nan 0.000 0.546 218 A N 1.182 123.910 122.820 -0.153 0.000 1.898 218 A HA -0.038 4.282 4.320 -0.000 0.000 0.216 218 A C 1.346 178.851 177.584 -0.132 0.000 1.181 218 A CA 1.095 53.055 52.037 -0.129 0.000 0.620 218 A CB -0.032 19.036 19.000 0.114 0.000 0.819 218 A HN 0.141 nan 8.150 nan 0.000 0.442 219 S N 0.440 116.100 115.700 -0.067 0.000 2.416 219 S HA 0.444 4.913 4.470 -0.000 0.000 0.287 219 S C 0.160 174.702 174.600 -0.097 0.000 1.139 219 S CA -0.635 57.540 58.200 -0.042 0.000 1.058 219 S CB -0.146 63.053 63.200 -0.002 0.000 0.967 219 S HN 0.493 nan 8.310 nan 0.000 0.495 220 R N 2.494 122.928 120.500 -0.110 0.000 2.627 220 R HA 0.228 4.568 4.340 -0.000 0.000 0.251 220 R C -0.705 175.526 176.300 -0.114 0.000 1.524 220 R CA -0.659 55.373 56.100 -0.115 0.000 1.606 220 R CB -0.747 29.461 30.300 -0.153 0.000 1.396 220 R HN 0.382 nan 8.270 nan 0.000 0.724 221 T N 2.107 116.549 114.554 -0.187 0.000 2.849 221 T HA -0.076 4.274 4.350 -0.000 0.000 0.289 221 T C 0.008 174.497 174.700 -0.351 0.000 1.010 221 T CA 0.885 62.744 62.100 -0.402 0.000 1.161 221 T CB -0.086 68.406 68.868 -0.627 0.000 0.989 221 T HN 0.575 nan 8.240 nan 0.000 0.523 222 Y N -1.312 118.992 120.300 0.006 0.000 4.766 222 Y HA -0.229 4.321 4.550 -0.000 0.000 0.289 222 Y C 0.785 176.679 175.900 -0.011 0.000 0.965 222 Y CA 0.533 58.634 58.100 0.003 0.000 1.738 222 Y CB -2.238 36.224 38.460 0.003 0.000 1.062 222 Y HN 0.799 nan 8.280 nan 0.000 0.440 223 D N 0.586 121.037 120.400 0.086 0.000 2.399 223 D HA 0.503 5.143 4.640 -0.000 0.000 0.241 223 D C 1.316 177.606 176.300 -0.016 0.000 1.133 223 D CA 0.847 54.869 54.000 0.037 0.000 0.890 223 D CB 1.177 41.989 40.800 0.020 0.000 1.201 223 D HN 0.290 nan 8.370 nan 0.000 0.432 224 A N 2.622 125.368 122.820 -0.123 0.000 2.121 224 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 224 A C 1.079 178.426 177.584 -0.395 0.000 1.154 224 A CA 1.138 53.008 52.037 -0.278 0.000 0.679 224 A CB -0.505 18.257 19.000 -0.395 0.000 0.795 224 A HN 0.773 nan 8.150 nan 0.000 0.458 225 H N -0.326 118.802 119.070 0.096 0.000 2.487 225 H HA 0.167 4.723 4.556 -0.000 0.000 0.290 225 H C 0.492 175.935 175.328 0.191 0.000 1.081 225 H CA -0.481 55.653 56.048 0.143 0.000 1.116 225 H CB 0.119 29.990 29.762 0.181 0.000 1.560 225 H HN 0.555 nan 8.280 nan 0.000 0.548 226 R N 1.450 122.050 120.500 0.166 0.000 2.694 226 R HA 0.026 4.366 4.340 -0.000 0.000 0.268 226 R C -0.467 175.947 176.300 0.191 0.000 1.061 226 R CA 0.242 56.430 56.100 0.147 0.000 1.133 226 R CB 0.506 30.841 30.300 0.059 0.000 1.020 226 R HN 0.236 nan 8.270 nan 0.000 0.475 227 D N 0.195 120.723 120.400 0.214 0.000 2.692 227 D HA 0.232 4.872 4.640 -0.000 0.000 0.290 227 D C 0.107 176.484 176.300 0.128 0.000 1.455 227 D CA -0.001 54.099 54.000 0.168 0.000 0.796 227 D CB 0.550 41.450 40.800 0.168 0.000 1.131 227 D HN 0.893 nan 8.370 nan 0.000 0.467 228 G N 0.361 109.240 108.800 0.133 0.000 2.357 228 G HA2 0.259 4.219 3.960 -0.000 0.000 0.643 228 G HA3 0.259 4.219 3.960 -0.000 0.000 0.643 228 G C -0.652 174.338 174.900 0.151 0.000 1.358 228 G CA -0.715 44.459 45.100 0.124 0.000 0.986 228 G HN 0.271 nan 8.290 nan 0.000 0.620 229 F N -0.554 119.453 119.950 0.094 0.000 2.375 229 F HA 0.812 5.339 4.527 -0.000 0.000 0.313 229 F C 0.230 176.068 175.800 0.063 0.000 1.176 229 F CA -1.354 56.686 58.000 0.067 0.000 1.142 229 F CB 1.190 40.249 39.000 0.100 0.000 1.275 229 F HN 0.376 nan 8.300 nan 0.000 0.544 230 V N 3.917 124.022 119.914 0.318 0.000 2.357 230 V HA 0.266 4.385 4.120 -0.000 0.000 0.284 230 V C 0.157 176.439 176.094 0.314 0.000 1.018 230 V CA -0.880 61.538 62.300 0.197 0.000 0.841 230 V CB 1.166 33.084 31.823 0.158 0.000 0.991 230 V HN 0.842 nan 8.190 nan 0.000 0.437 231 I N 4.741 125.445 120.570 0.223 0.000 2.692 231 I HA 0.507 4.677 4.170 -0.000 0.000 0.284 231 I C 0.514 176.727 176.117 0.160 0.000 1.159 231 I CA 0.571 61.999 61.300 0.212 0.000 1.423 231 I CB 0.863 38.929 38.000 0.111 0.000 1.380 231 I HN 0.807 nan 8.210 nan 0.000 0.580 232 A N 4.759 127.618 122.820 0.064 0.000 2.552 232 A HA 0.934 5.254 4.320 -0.000 0.000 0.288 232 A C -0.611 176.933 177.584 -0.067 0.000 1.193 232 A CA -0.078 51.953 52.037 -0.010 0.000 0.713 232 A CB 1.329 20.335 19.000 0.009 0.000 1.305 232 A HN 0.842 nan 8.150 nan 0.000 0.424 233 G N -2.300 106.425 108.800 -0.125 0.000 2.727 233 G HA2 0.910 4.870 3.960 -0.000 0.000 0.289 233 G HA3 0.910 4.870 3.960 -0.000 0.000 0.289 233 G C -0.109 174.663 174.900 -0.213 0.000 1.418 233 G CA -0.086 44.951 45.100 -0.105 0.000 0.818 233 G HN 2.367 nan 8.290 nan 0.000 0.486 234 G N -2.103 106.557 108.800 -0.233 0.000 2.302 234 G HA2 0.638 4.598 3.960 -0.000 0.000 0.276 234 G HA3 0.638 4.598 3.960 -0.000 0.000 0.276 234 G C -0.254 174.591 174.900 -0.091 0.000 1.316 234 G CA 0.339 45.164 45.100 -0.458 0.000 0.988 234 G HN 2.149 nan 8.290 nan 0.000 0.479 235 G N -1.863 106.887 108.800 -0.084 0.000 2.660 235 G HA2 0.982 4.942 3.960 -0.000 0.000 0.290 235 G HA3 0.982 4.942 3.960 -0.000 0.000 0.290 235 G C -0.392 174.485 174.900 -0.037 0.000 1.432 235 G CA 0.518 45.629 45.100 0.019 0.000 0.807 235 G HN 2.139 nan 8.290 nan 0.000 0.485 236 G N -1.336 107.442 108.800 -0.038 0.000 2.673 236 G HA2 0.699 4.658 3.960 -0.000 0.000 0.292 236 G HA3 0.699 4.658 3.960 -0.000 0.000 0.292 236 G C -1.681 173.178 174.900 -0.067 0.000 1.450 236 G CA -0.600 44.454 45.100 -0.077 0.000 0.837 236 G HN 1.007 nan 8.290 nan 0.000 0.505 237 M N 0.850 120.401 119.600 -0.081 0.000 2.365 237 M HA 0.618 5.098 4.480 -0.000 0.000 0.288 237 M C -1.105 175.148 176.300 -0.078 0.000 1.152 237 M CA -0.626 54.632 55.300 -0.071 0.000 0.948 237 M CB 2.291 34.845 32.600 -0.076 0.000 1.729 237 M HN 1.183 nan 8.290 nan 0.000 0.487 238 V N 1.689 121.559 119.914 -0.073 0.000 2.914 238 V HA 0.904 5.024 4.120 -0.000 0.000 0.314 238 V C -1.140 174.903 176.094 -0.085 0.000 1.084 238 V CA -0.907 61.338 62.300 -0.091 0.000 0.963 238 V CB 1.868 33.615 31.823 -0.127 0.000 1.025 238 V HN 0.611 nan 8.190 nan 0.000 0.432 239 V N 3.834 123.685 119.914 -0.106 0.000 2.334 239 V HA 0.351 4.471 4.120 -0.000 0.000 0.267 239 V C 0.137 176.107 176.094 -0.205 0.000 1.040 239 V CA -0.316 61.850 62.300 -0.224 0.000 0.866 239 V CB 1.070 32.775 31.823 -0.197 0.000 1.019 239 V HN 0.733 nan 8.190 nan 0.000 0.468 240 V N 5.297 125.061 119.914 -0.251 0.000 2.383 240 V HA 0.479 4.598 4.120 -0.000 0.000 0.275 240 V C 0.071 176.032 176.094 -0.220 0.000 1.036 240 V CA -0.276 61.909 62.300 -0.192 0.000 0.889 240 V CB 1.331 33.048 31.823 -0.176 0.000 0.985 240 V HN 0.974 nan 8.190 nan 0.000 0.459 241 E N 2.886 122.991 120.200 -0.158 0.000 2.367 241 E HA 0.363 4.713 4.350 -0.000 0.000 0.273 241 E C -0.852 175.692 176.600 -0.093 0.000 0.903 241 E CA -0.745 55.563 56.400 -0.153 0.000 0.764 241 E CB 1.933 31.565 29.700 -0.114 0.000 1.252 241 E HN 0.677 nan 8.360 nan 0.000 0.446 242 E N 3.222 123.366 120.200 -0.093 0.000 2.373 242 E HA -0.011 4.339 4.350 -0.000 0.000 0.267 242 E C 0.760 177.369 176.600 0.016 0.000 1.032 242 E CA -0.106 56.272 56.400 -0.036 0.000 0.889 242 E CB 1.215 30.894 29.700 -0.034 0.000 0.984 242 E HN 0.620 nan 8.360 nan 0.000 0.425 243 L N 5.116 126.344 121.223 0.008 0.000 1.971 243 L HA -0.230 4.110 4.340 -0.000 0.000 0.215 243 L C 1.956 178.840 176.870 0.023 0.000 1.072 243 L CA 1.950 56.795 54.840 0.009 0.000 0.758 243 L CB -0.430 41.628 42.059 -0.002 0.000 0.889 243 L HN 0.551 nan 8.230 nan 0.000 0.433 244 E N -0.957 119.261 120.200 0.030 0.000 2.058 244 E HA -0.277 4.073 4.350 -0.000 0.000 0.194 244 E C 2.247 178.867 176.600 0.032 0.000 0.997 244 E CA 1.485 57.899 56.400 0.024 0.000 0.801 244 E CB -0.792 28.922 29.700 0.024 0.000 0.746 244 E HN 0.659 nan 8.360 nan 0.000 0.450 245 H N 0.526 119.581 119.070 -0.025 0.000 2.352 245 H HA -0.074 4.482 4.556 -0.000 0.000 0.299 245 H C 1.812 177.124 175.328 -0.028 0.000 1.097 245 H CA 1.857 57.890 56.048 -0.025 0.000 1.311 245 H CB 0.161 29.904 29.762 -0.032 0.000 1.377 245 H HN 0.136 nan 8.280 nan 0.000 0.504 246 A N 0.953 123.838 122.820 0.109 0.000 1.898 246 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 246 A C 2.891 180.467 177.584 -0.015 0.000 1.181 246 A CA 1.022 53.089 52.037 0.049 0.000 0.620 246 A CB -0.756 18.263 19.000 0.031 0.000 0.819 246 A HN 0.400 nan 8.150 nan 0.000 0.442 247 L N -0.705 120.506 121.223 -0.020 0.000 2.056 247 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 247 L C 3.072 179.913 176.870 -0.048 0.000 1.078 247 L CA 0.987 55.808 54.840 -0.032 0.000 0.749 247 L CB -0.555 41.489 42.059 -0.025 0.000 0.901 247 L HN 0.429 nan 8.230 nan 0.000 0.433 248 A N 1.087 123.864 122.820 -0.071 0.000 1.978 248 A HA -0.210 4.110 4.320 -0.000 0.000 0.220 248 A C 2.232 179.755 177.584 -0.102 0.000 1.170 248 A CA 1.845 53.826 52.037 -0.093 0.000 0.636 248 A CB -0.522 18.398 19.000 -0.134 0.000 0.810 248 A HN 0.594 nan 8.150 nan 0.000 0.448 249 R N -1.473 118.958 120.500 -0.115 0.000 2.359 249 R HA 0.367 4.707 4.340 -0.000 0.000 0.231 249 R C 0.952 177.228 176.300 -0.041 0.000 0.913 249 R CA 0.609 56.657 56.100 -0.085 0.000 1.075 249 R CB -0.571 29.667 30.300 -0.102 0.000 1.087 249 R HN 0.734 nan 8.270 nan 0.000 0.515 250 G N 0.814 109.593 108.800 -0.035 0.000 2.221 250 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.265 250 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.265 250 G C 0.283 175.180 174.900 -0.005 0.000 1.041 250 G CA 0.145 45.234 45.100 -0.019 0.000 0.807 250 G HN 0.707 nan 8.290 nan 0.000 0.502 251 A N -0.404 122.413 122.820 -0.005 0.000 2.366 251 A HA 0.586 4.906 4.320 -0.000 0.000 0.249 251 A C 0.387 177.977 177.584 0.010 0.000 1.084 251 A CA 0.396 52.441 52.037 0.013 0.000 0.794 251 A CB 0.305 19.312 19.000 0.013 0.000 1.034 251 A HN 1.438 nan 8.150 nan 0.000 0.491 252 H N 0.774 119.795 119.070 -0.083 0.000 2.668 252 H HA 0.525 5.081 4.556 -0.000 0.000 0.303 252 H C -0.744 174.476 175.328 -0.181 0.000 1.074 252 H CA -0.331 55.622 56.048 -0.158 0.000 1.406 252 H CB 0.164 29.790 29.762 -0.228 0.000 1.442 252 H HN 0.426 nan 8.280 nan 0.000 0.482 253 I N 7.125 127.316 120.570 -0.632 0.000 2.312 253 I HA 0.021 4.191 4.170 -0.000 0.000 0.290 253 I C 0.059 175.823 176.117 -0.589 0.000 1.008 253 I CA -0.380 60.656 61.300 -0.441 0.000 1.226 253 I CB 0.818 38.690 38.000 -0.213 0.000 1.371 253 I HN 0.773 nan 8.210 nan 0.000 0.468 254 Y N 5.189 125.283 120.300 -0.342 0.000 2.220 254 Y HA 0.195 4.745 4.550 -0.000 0.000 0.291 254 Y C 1.269 177.087 175.900 -0.136 0.000 1.129 254 Y CA 0.957 58.932 58.100 -0.209 0.000 1.161 254 Y CB 0.135 38.550 38.460 -0.076 0.000 0.997 254 Y HN 0.668 nan 8.280 nan 0.000 0.522 255 A N -0.836 122.019 122.820 0.058 0.000 2.544 255 A HA 0.407 4.727 4.320 -0.000 0.000 0.291 255 A C -1.516 176.067 177.584 -0.002 0.000 1.055 255 A CA -0.852 51.194 52.037 0.016 0.000 0.651 255 A CB 0.736 19.755 19.000 0.033 0.000 1.296 255 A HN 0.054 nan 8.150 nan 0.000 0.431 256 E N 0.486 120.682 120.200 -0.007 0.000 2.179 256 E HA 0.601 4.950 4.350 -0.000 0.000 0.275 256 E C -1.158 175.441 176.600 -0.003 0.000 0.945 256 E CA -0.597 55.798 56.400 -0.009 0.000 0.792 256 E CB 0.919 30.614 29.700 -0.009 0.000 1.125 256 E HN 0.491 nan 8.360 nan 0.000 0.397 257 I N 5.808 126.373 120.570 -0.007 0.000 2.308 257 I HA 0.023 4.193 4.170 -0.000 0.000 0.293 257 I C 1.159 177.288 176.117 0.020 0.000 1.078 257 I CA -0.252 61.049 61.300 0.001 0.000 1.292 257 I CB 0.895 38.884 38.000 -0.019 0.000 1.423 257 I HN 0.500 nan 8.210 nan 0.000 0.493 258 V N 2.769 122.701 119.914 0.031 0.000 3.650 258 V HA 0.491 4.611 4.120 -0.000 0.000 0.271 258 V C 0.727 176.859 176.094 0.063 0.000 1.281 258 V CA 0.278 62.602 62.300 0.040 0.000 1.120 258 V CB -0.089 31.752 31.823 0.030 0.000 0.856 258 V HN 0.715 nan 8.190 nan 0.000 0.443 259 G N -0.567 108.283 108.800 0.083 0.000 2.759 259 G HA2 0.545 4.505 3.960 -0.000 0.000 0.297 259 G HA3 0.545 4.505 3.960 -0.000 0.000 0.297 259 G C -2.333 172.676 174.900 0.183 0.000 1.434 259 G CA -0.574 44.595 45.100 0.115 0.000 0.980 259 G HN 0.367 nan 8.290 nan 0.000 0.531 260 Y N 1.018 121.337 120.300 0.032 0.000 2.362 260 Y HA 0.679 5.229 4.550 -0.000 0.000 0.326 260 Y C -0.233 175.692 175.900 0.042 0.000 1.083 260 Y CA -1.076 57.042 58.100 0.030 0.000 1.073 260 Y CB 1.791 40.269 38.460 0.029 0.000 1.211 260 Y HN 0.881 nan 8.280 nan 0.000 0.433 261 G N 3.057 111.708 108.800 -0.249 0.000 2.452 261 G HA2 0.755 4.715 3.960 -0.000 0.000 0.324 261 G HA3 0.755 4.715 3.960 -0.000 0.000 0.324 261 G C -1.743 172.915 174.900 -0.404 0.000 1.214 261 G CA -0.648 44.257 45.100 -0.325 0.000 0.947 261 G HN 1.149 nan 8.290 nan 0.000 0.478 262 A N 1.572 124.182 122.820 -0.350 0.000 2.446 262 A HA 0.840 5.160 4.320 -0.000 0.000 0.282 262 A C 0.036 177.603 177.584 -0.030 0.000 1.102 262 A CA -0.116 51.864 52.037 -0.095 0.000 0.737 262 A CB 1.137 20.084 19.000 -0.088 0.000 1.212 262 A HN 1.488 nan 8.150 nan 0.000 0.434 263 T N -1.396 113.182 114.554 0.040 0.000 2.831 263 T HA 0.868 5.217 4.350 -0.000 0.000 0.287 263 T C -0.210 174.513 174.700 0.038 0.000 1.070 263 T CA -0.555 61.552 62.100 0.011 0.000 1.010 263 T CB 1.794 70.652 68.868 -0.017 0.000 1.264 263 T HN 1.247 nan 8.240 nan 0.000 0.532 264 S N -1.078 114.626 115.700 0.007 0.000 2.541 264 S HA 0.461 4.931 4.470 -0.000 0.000 0.280 264 S C -0.234 174.358 174.600 -0.013 0.000 1.112 264 S CA -0.617 57.590 58.200 0.012 0.000 0.925 264 S CB 1.686 64.891 63.200 0.008 0.000 1.067 264 S HN 0.708 nan 8.310 nan 0.000 0.479 265 D N 2.545 122.937 120.400 -0.014 0.000 2.120 265 D HA 0.160 4.800 4.640 -0.000 0.000 0.202 265 D C 1.419 177.706 176.300 -0.023 0.000 0.972 265 D CA 1.540 55.520 54.000 -0.032 0.000 0.837 265 D CB -0.531 40.248 40.800 -0.035 0.000 0.989 265 D HN 1.057 nan 8.370 nan 0.000 0.469 266 G N 0.198 108.991 108.800 -0.011 0.000 2.295 266 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.287 266 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.287 266 G C 0.586 175.478 174.900 -0.014 0.000 1.055 266 G CA 0.906 46.000 45.100 -0.010 0.000 0.922 266 G HN 0.632 nan 8.290 nan 0.000 0.503 267 A N -0.862 121.949 122.820 -0.015 0.000 1.758 267 A HA 0.686 5.006 4.320 -0.000 0.000 0.172 267 A C 0.378 177.952 177.584 -0.017 0.000 1.924 267 A CA 1.047 53.073 52.037 -0.018 0.000 1.449 267 A CB 0.254 19.239 19.000 -0.024 0.000 1.075 267 A HN 0.525 nan 8.150 nan 0.000 0.777 268 D N -1.409 118.978 120.400 -0.022 0.000 2.181 268 D HA 0.492 5.132 4.640 -0.000 0.000 0.248 268 D C 0.672 176.951 176.300 -0.034 0.000 1.020 268 D CA -0.441 53.541 54.000 -0.029 0.000 0.891 268 D CB 1.481 42.259 40.800 -0.036 0.000 1.187 268 D HN 0.184 nan 8.370 nan 0.000 0.443 269 M N 2.465 122.037 119.600 -0.047 0.000 2.349 269 M HA 0.109 4.588 4.480 -0.000 0.000 0.266 269 M C 0.461 176.679 176.300 -0.136 0.000 1.076 269 M CA 1.334 56.604 55.300 -0.051 0.000 1.126 269 M CB 0.406 32.981 32.600 -0.041 0.000 1.392 269 M HN 0.406 nan 8.290 nan 0.000 0.440 270 V N -1.264 118.518 119.914 -0.220 0.000 3.473 270 V HA 0.461 4.581 4.120 -0.000 0.000 0.253 270 V C 0.447 176.338 176.094 -0.338 0.000 1.340 270 V CA 0.375 62.372 62.300 -0.506 0.000 1.103 270 V CB 0.445 31.976 31.823 -0.486 0.000 0.881 270 V HN 0.314 nan 8.190 nan 0.000 0.451 271 A N 2.108 124.846 122.820 -0.136 0.000 2.325 271 A HA 0.804 5.124 4.320 -0.000 0.000 0.333 271 A C -2.694 174.884 177.584 -0.008 0.000 1.155 271 A CA -1.596 50.417 52.037 -0.039 0.000 0.814 271 A CB 0.679 19.668 19.000 -0.018 0.000 1.206 271 A HN 0.157 nan 8.150 nan 0.000 0.482 272 P HA 0.148 nan 4.420 nan 0.000 0.278 272 P C 0.568 177.842 177.300 -0.044 0.000 1.238 272 P CA -0.104 62.984 63.100 -0.020 0.000 0.794 272 P CB 1.554 33.240 31.700 -0.023 0.000 0.955 273 S N 1.079 116.736 115.700 -0.073 0.000 2.478 273 S HA 0.154 4.624 4.470 -0.000 0.000 0.222 273 S C 1.643 176.194 174.600 -0.081 0.000 1.008 273 S CA 0.851 59.013 58.200 -0.064 0.000 0.928 273 S CB -1.015 62.150 63.200 -0.059 0.000 0.781 273 S HN 0.742 nan 8.310 nan 0.000 0.518 274 G N 1.745 110.463 108.800 -0.136 0.000 2.396 274 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.242 274 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.242 274 G C 0.922 175.736 174.900 -0.143 0.000 1.069 274 G CA 0.590 45.603 45.100 -0.145 0.000 0.633 274 G HN 0.500 nan 8.290 nan 0.000 0.517 275 E N 1.553 121.688 120.200 -0.109 0.000 2.106 275 E HA -0.022 4.328 4.350 -0.000 0.000 0.192 275 E C 2.621 179.156 176.600 -0.109 0.000 0.984 275 E CA 1.882 58.227 56.400 -0.091 0.000 0.806 275 E CB -0.824 28.836 29.700 -0.065 0.000 0.750 275 E HN 0.604 nan 8.360 nan 0.000 0.458 276 G N 0.553 109.273 108.800 -0.133 0.000 2.448 276 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.218 276 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.218 276 G C 1.659 176.450 174.900 -0.180 0.000 1.135 276 G CA 0.872 45.893 45.100 -0.131 0.000 0.784 276 G HN 0.388 nan 8.290 nan 0.000 0.543 277 A N 0.216 122.844 122.820 -0.321 0.000 1.929 277 A HA 0.170 4.490 4.320 -0.000 0.000 0.216 277 A C 2.562 180.060 177.584 -0.143 0.000 1.176 277 A CA 1.489 53.267 52.037 -0.431 0.000 0.628 277 A CB -0.495 18.003 19.000 -0.838 0.000 0.816 277 A HN 0.199 nan 8.150 nan 0.000 0.444 278 V N 0.189 120.028 119.914 -0.125 0.000 2.255 278 V HA -0.292 3.828 4.120 -0.000 0.000 0.247 278 V C 2.655 178.707 176.094 -0.070 0.000 1.051 278 V CA 2.351 64.603 62.300 -0.081 0.000 1.018 278 V CB -0.801 30.975 31.823 -0.078 0.000 0.641 278 V HN 0.527 nan 8.190 nan 0.000 0.445 279 R N -1.140 119.318 120.500 -0.070 0.000 2.096 279 R HA -0.193 4.147 4.340 -0.000 0.000 0.235 279 R C 2.401 178.675 176.300 -0.043 0.000 1.127 279 R CA 1.696 57.761 56.100 -0.058 0.000 0.968 279 R CB -0.866 29.398 30.300 -0.059 0.000 0.861 279 R HN 0.573 nan 8.270 nan 0.000 0.440 280 C N 0.704 119.990 119.300 -0.025 0.000 2.432 280 C HA -0.069 4.391 4.460 -0.000 0.000 0.277 280 C C 2.607 177.616 174.990 0.032 0.000 1.249 280 C CA 0.866 59.894 59.018 0.016 0.000 1.725 280 C CB -0.652 27.150 27.740 0.102 0.000 2.028 280 C HN 0.461 nan 8.230 nan 0.000 0.477 281 M N 0.049 119.679 119.600 0.051 0.000 2.175 281 M HA -0.134 4.346 4.480 -0.000 0.000 0.264 281 M C 2.253 178.543 176.300 -0.017 0.000 1.063 281 M CA 1.694 57.020 55.300 0.042 0.000 1.119 281 M CB -0.464 32.165 32.600 0.048 0.000 1.377 281 M HN 0.377 nan 8.290 nan 0.000 0.415 282 K N 0.115 120.486 120.400 -0.048 0.000 2.097 282 K HA -0.122 4.198 4.320 -0.000 0.000 0.205 282 K C 2.002 178.608 176.600 0.010 0.000 1.050 282 K CA 1.297 57.557 56.287 -0.045 0.000 0.938 282 K CB -0.202 32.266 32.500 -0.054 0.000 0.718 282 K HN 0.350 nan 8.250 nan 0.000 0.442 283 M N 0.463 120.058 119.600 -0.009 0.000 2.159 283 M HA -0.134 4.346 4.480 -0.000 0.000 0.263 283 M C 2.030 178.349 176.300 0.031 0.000 1.063 283 M CA 1.610 56.900 55.300 -0.016 0.000 1.110 283 M CB -0.038 32.518 32.600 -0.074 0.000 1.374 283 M HN 0.149 nan 8.290 nan 0.000 0.411 284 A N -0.062 122.774 122.820 0.026 0.000 2.014 284 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 284 A C 1.903 179.532 177.584 0.075 0.000 1.163 284 A CA 1.143 53.214 52.037 0.056 0.000 0.652 284 A CB -0.527 18.511 19.000 0.063 0.000 0.808 284 A HN 0.624 nan 8.150 nan 0.000 0.449 285 M N -0.920 118.718 119.600 0.064 0.000 2.556 285 M HA 0.047 4.527 4.480 -0.000 0.000 0.245 285 M C 0.471 176.797 176.300 0.042 0.000 1.128 285 M CA 0.073 55.403 55.300 0.050 0.000 1.069 285 M CB -0.001 32.609 32.600 0.016 0.000 1.469 285 M HN 0.407 nan 8.290 nan 0.000 0.494 286 H N 0.715 119.780 119.070 -0.008 0.000 3.145 286 H HA 0.006 4.561 4.556 -0.000 0.000 0.288 286 H C 1.022 176.351 175.328 0.003 0.000 0.969 286 H CA 1.741 57.784 56.048 -0.009 0.000 1.444 286 H CB 0.352 30.105 29.762 -0.014 0.000 1.500 286 H HN 0.617 nan 8.280 nan 0.000 0.552 287 G N 3.988 112.557 108.800 -0.385 0.000 2.179 287 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.260 287 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.260 287 G C 0.189 175.041 174.900 -0.080 0.000 0.977 287 G CA 0.260 45.236 45.100 -0.206 0.000 0.641 287 G HN 0.585 nan 8.290 nan 0.000 0.533 288 V N 2.915 122.799 119.914 -0.050 0.000 2.389 288 V HA 0.292 4.412 4.120 -0.000 0.000 0.264 288 V C 1.271 177.355 176.094 -0.016 0.000 1.049 288 V CA 0.221 62.515 62.300 -0.010 0.000 0.932 288 V CB 1.322 33.157 31.823 0.021 0.000 1.011 288 V HN 0.474 nan 8.190 nan 0.000 0.475 289 D N 2.658 123.049 120.400 -0.015 0.000 2.363 289 D HA -0.044 4.596 4.640 -0.000 0.000 0.220 289 D C 0.811 177.112 176.300 0.003 0.000 0.994 289 D CA 0.257 54.250 54.000 -0.013 0.000 0.890 289 D CB 0.066 40.856 40.800 -0.015 0.000 0.906 289 D HN 0.590 nan 8.370 nan 0.000 0.530 290 T N -1.120 113.442 114.554 0.013 0.000 2.925 290 T HA 0.523 4.873 4.350 -0.000 0.000 0.285 290 T C -2.549 172.174 174.700 0.038 0.000 1.021 290 T CA -1.772 60.340 62.100 0.021 0.000 1.042 290 T CB 2.226 71.105 68.868 0.019 0.000 1.037 290 T HN -0.158 nan 8.240 nan 0.000 0.481 291 P HA 0.279 nan 4.420 nan 0.000 0.274 291 P C -0.471 176.862 177.300 0.055 0.000 1.237 291 P CA -0.632 62.504 63.100 0.061 0.000 0.793 291 P CB 0.569 32.296 31.700 0.044 0.000 0.977 292 I N 2.893 123.505 120.570 0.069 0.000 2.396 292 I HA 0.030 4.200 4.170 -0.000 0.000 0.289 292 I C 1.323 177.417 176.117 -0.038 0.000 1.056 292 I CA 0.297 61.611 61.300 0.023 0.000 1.365 292 I CB 0.239 38.258 38.000 0.032 0.000 1.407 292 I HN 0.330 nan 8.210 nan 0.000 0.509 293 D N 5.006 125.406 120.400 0.001 0.000 2.240 293 D HA -0.073 4.566 4.640 -0.000 0.000 0.206 293 D C 0.007 176.343 176.300 0.060 0.000 0.963 293 D CA 1.346 55.356 54.000 0.018 0.000 0.863 293 D CB 0.453 41.277 40.800 0.040 0.000 0.973 293 D HN 0.519 nan 8.370 nan 0.000 0.501 294 Y N 0.229 120.475 120.300 -0.091 0.000 2.479 294 Y HA 0.464 5.014 4.550 -0.000 0.000 0.338 294 Y C -2.020 173.826 175.900 -0.090 0.000 1.055 294 Y CA -1.102 56.940 58.100 -0.097 0.000 1.023 294 Y CB 1.390 39.798 38.460 -0.087 0.000 1.287 294 Y HN -0.243 nan 8.280 nan 0.000 0.447 295 L N 7.052 127.690 121.223 -0.975 0.000 2.343 295 L HA 0.475 4.815 4.340 -0.000 0.000 0.278 295 L C -1.051 175.242 176.870 -0.962 0.000 0.996 295 L CA -0.504 53.885 54.840 -0.752 0.000 0.831 295 L CB 0.871 42.690 42.059 -0.400 0.000 1.232 295 L HN 0.788 nan 8.230 nan 0.000 0.413 296 N N 3.651 121.923 118.700 -0.713 0.000 2.439 296 N HA 0.104 4.844 4.740 -0.000 0.000 0.243 296 N C -0.298 175.112 175.510 -0.167 0.000 1.088 296 N CA -0.204 52.653 53.050 -0.322 0.000 0.940 296 N CB 0.936 39.398 38.487 -0.042 0.000 1.180 296 N HN 0.708 nan 8.380 nan 0.000 0.505 297 S N 2.626 118.268 115.700 -0.097 0.000 2.589 297 S HA -0.016 4.454 4.470 -0.000 0.000 0.265 297 S C 1.328 175.900 174.600 -0.047 0.000 1.342 297 S CA -0.216 57.971 58.200 -0.021 0.000 1.005 297 S CB 1.144 64.417 63.200 0.121 0.000 0.909 297 S HN 0.727 nan 8.310 nan 0.000 0.555 298 H N 2.135 121.100 119.070 -0.175 0.000 2.326 298 H HA 0.134 4.690 4.556 -0.000 0.000 0.301 298 H C 1.563 176.781 175.328 -0.183 0.000 1.081 298 H CA 1.350 57.250 56.048 -0.247 0.000 1.334 298 H CB -1.096 28.483 29.762 -0.305 0.000 1.385 298 H HN 1.062 nan 8.280 nan 0.000 0.504 299 G N 0.827 109.548 108.800 -0.131 0.000 2.394 299 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.264 299 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.264 299 G C 1.010 175.671 174.900 -0.398 0.000 0.282 299 G CA 0.982 45.925 45.100 -0.262 0.000 1.090 299 G HN 0.770 nan 8.290 nan 0.000 0.486 300 T N -1.220 113.097 114.554 -0.395 0.000 3.100 300 T HA 0.355 4.705 4.350 -0.000 0.000 0.253 300 T C 1.370 176.017 174.700 -0.088 0.000 1.118 300 T CA 1.027 62.920 62.100 -0.345 0.000 1.058 300 T CB 0.283 68.929 68.868 -0.370 0.000 0.953 300 T HN 1.889 nan 8.240 nan 0.000 0.515 301 S N 0.720 116.355 115.700 -0.108 0.000 3.619 301 S HA -0.132 4.338 4.470 -0.000 0.000 0.287 301 S C 0.207 174.843 174.600 0.059 0.000 1.222 301 S CA 0.579 58.748 58.200 -0.053 0.000 0.821 301 S CB -2.176 61.006 63.200 -0.030 0.000 0.985 301 S HN 1.264 nan 8.310 nan 0.000 0.611 302 T N -1.260 113.349 114.554 0.092 0.000 2.925 302 T HA 0.707 5.057 4.350 -0.000 0.000 0.285 302 T C -1.466 173.303 174.700 0.114 0.000 1.021 302 T CA -1.560 60.628 62.100 0.147 0.000 1.042 302 T CB 1.666 70.669 68.868 0.226 0.000 1.037 302 T HN -0.058 nan 8.240 nan 0.000 0.481 303 P HA -0.127 nan 4.420 nan 0.000 0.213 303 P C 1.686 179.043 177.300 0.095 0.000 1.170 303 P CA 0.731 63.888 63.100 0.094 0.000 0.902 303 P CB -0.045 31.707 31.700 0.088 0.000 0.789 304 V N -0.565 119.409 119.914 0.101 0.000 2.346 304 V HA -0.099 4.021 4.120 -0.000 0.000 0.244 304 V C 2.548 178.710 176.094 0.114 0.000 1.037 304 V CA 2.400 64.757 62.300 0.094 0.000 1.029 304 V CB -1.852 30.019 31.823 0.079 0.000 0.663 304 V HN 0.186 nan 8.190 nan 0.000 0.454 305 G N 0.002 108.889 108.800 0.145 0.000 2.459 305 G HA2 -0.286 3.673 3.960 -0.000 0.000 0.217 305 G HA3 -0.286 3.673 3.960 -0.000 0.000 0.217 305 G C 1.197 176.207 174.900 0.184 0.000 1.183 305 G CA 1.194 46.403 45.100 0.181 0.000 0.776 305 G HN 0.495 nan 8.290 nan 0.000 0.552 306 D N 0.047 120.537 120.400 0.150 0.000 2.133 306 D HA -0.110 4.530 4.640 -0.000 0.000 0.195 306 D C 2.690 179.145 176.300 0.258 0.000 0.997 306 D CA 0.842 54.950 54.000 0.180 0.000 0.840 306 D CB -0.480 40.379 40.800 0.098 0.000 0.947 306 D HN 0.225 nan 8.370 nan 0.000 0.452 307 V N 1.070 121.093 119.914 0.181 0.000 2.323 307 V HA -0.185 3.935 4.120 -0.000 0.000 0.244 307 V C 2.325 178.486 176.094 0.112 0.000 1.041 307 V CA 1.367 63.750 62.300 0.138 0.000 1.025 307 V CB -0.257 31.626 31.823 0.100 0.000 0.656 307 V HN 0.187 nan 8.190 nan 0.000 0.451 308 K N 0.073 120.533 120.400 0.100 0.000 2.063 308 K HA -0.269 4.051 4.320 -0.000 0.000 0.208 308 K C 2.116 178.758 176.600 0.070 0.000 1.048 308 K CA 1.886 58.210 56.287 0.062 0.000 0.928 308 K CB -0.270 32.253 32.500 0.039 0.000 0.713 308 K HN 0.612 nan 8.250 nan 0.000 0.442 309 E N 1.302 121.587 120.200 0.142 0.000 2.106 309 E HA -0.133 4.217 4.350 -0.000 0.000 0.192 309 E C 2.140 178.847 176.600 0.177 0.000 0.984 309 E CA 0.548 57.071 56.400 0.204 0.000 0.806 309 E CB 0.016 29.935 29.700 0.364 0.000 0.750 309 E HN 0.204 nan 8.360 nan 0.000 0.458 310 L N 0.379 121.698 121.223 0.160 0.000 2.083 310 L HA -0.147 4.193 4.340 -0.000 0.000 0.209 310 L C 2.641 179.551 176.870 0.067 0.000 1.083 310 L CA 1.014 55.908 54.840 0.091 0.000 0.752 310 L CB -0.415 41.672 42.059 0.047 0.000 0.899 310 L HN 0.242 nan 8.230 nan 0.000 0.433 311 A N -0.100 122.756 122.820 0.061 0.000 1.898 311 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 311 A C 2.521 180.127 177.584 0.036 0.000 1.181 311 A CA 1.529 53.589 52.037 0.038 0.000 0.620 311 A CB -0.597 18.419 19.000 0.027 0.000 0.819 311 A HN 0.387 nan 8.150 nan 0.000 0.442 312 A N -0.021 122.821 122.820 0.037 0.000 1.902 312 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 312 A C 2.091 179.715 177.584 0.065 0.000 1.181 312 A CA 1.485 53.535 52.037 0.021 0.000 0.623 312 A CB -0.601 18.393 19.000 -0.010 0.000 0.818 312 A HN 0.490 nan 8.150 nan 0.000 0.443 313 I N -0.874 119.777 120.570 0.135 0.000 2.286 313 I HA -0.275 3.895 4.170 -0.000 0.000 0.248 313 I C 2.781 179.043 176.117 0.241 0.000 1.115 313 I CA 1.277 62.727 61.300 0.250 0.000 1.392 313 I CB -0.303 37.831 38.000 0.223 0.000 1.065 313 I HN 0.298 nan 8.210 nan 0.000 0.418 314 R N 0.319 120.895 120.500 0.126 0.000 2.073 314 R HA -0.154 4.186 4.340 -0.000 0.000 0.234 314 R C 2.263 178.600 176.300 0.062 0.000 1.134 314 R CA 1.121 57.278 56.100 0.094 0.000 0.952 314 R CB -0.306 30.023 30.300 0.048 0.000 0.850 314 R HN 0.337 nan 8.270 nan 0.000 0.433 315 E N 0.394 120.609 120.200 0.025 0.000 2.070 315 E HA -0.172 4.177 4.350 -0.000 0.000 0.197 315 E C 2.099 178.660 176.600 -0.066 0.000 1.004 315 E CA 1.410 57.799 56.400 -0.017 0.000 0.805 315 E CB -0.043 29.639 29.700 -0.029 0.000 0.744 315 E HN 0.137 nan 8.360 nan 0.000 0.451 316 V N -0.140 119.698 119.914 -0.127 0.000 2.346 316 V HA -0.173 3.947 4.120 -0.000 0.000 0.244 316 V C 1.991 177.815 176.094 -0.451 0.000 1.037 316 V CA 1.556 63.646 62.300 -0.351 0.000 1.029 316 V CB -0.469 31.004 31.823 -0.582 0.000 0.663 316 V HN 0.137 nan 8.190 nan 0.000 0.454 317 F N -0.193 119.757 119.950 0.000 0.000 2.656 317 F HA 0.457 4.983 4.527 -0.000 0.000 0.291 317 F C 1.971 177.768 175.800 -0.005 0.000 1.122 317 F CA 0.765 58.763 58.000 -0.003 0.000 1.427 317 F CB -0.390 38.607 39.000 -0.006 0.000 1.125 317 F HN 0.277 nan 8.300 nan 0.000 0.583 318 G N 1.013 109.897 108.800 0.140 0.000 2.677 318 G HA2 -0.378 3.581 3.960 -0.000 0.000 0.321 318 G HA3 -0.378 3.581 3.960 -0.000 0.000 0.321 318 G C 0.839 175.790 174.900 0.086 0.000 1.181 318 G CA 0.821 45.970 45.100 0.082 0.000 0.965 318 G HN 0.275 nan 8.290 nan 0.000 0.548 319 D N 0.971 121.413 120.400 0.070 0.000 2.367 319 D HA 0.068 4.708 4.640 -0.000 0.000 0.207 319 D C 1.525 177.857 176.300 0.053 0.000 1.034 319 D CA 0.397 54.427 54.000 0.050 0.000 0.861 319 D CB 0.182 41.001 40.800 0.031 0.000 0.943 319 D HN 0.353 nan 8.370 nan 0.000 0.515 320 K N 2.233 122.688 120.400 0.092 0.000 3.006 320 K HA 0.040 4.360 4.320 -0.000 0.000 0.262 320 K C -0.144 176.475 176.600 0.032 0.000 1.289 320 K CA -0.061 56.272 56.287 0.077 0.000 1.245 320 K CB -0.272 32.309 32.500 0.134 0.000 1.614 320 K HN -0.159 nan 8.250 nan 0.000 0.322 321 S N 2.847 118.538 115.700 -0.015 0.000 2.516 321 S HA 0.204 4.674 4.470 -0.000 0.000 0.282 321 S C -1.965 172.493 174.600 -0.237 0.000 1.286 321 S CA -1.066 57.053 58.200 -0.135 0.000 1.066 321 S CB 0.517 63.670 63.200 -0.078 0.000 0.884 321 S HN 0.371 nan 8.310 nan 0.000 0.491 322 P HA 0.330 nan 4.420 nan 0.000 0.279 322 P C -0.734 176.445 177.300 -0.201 0.000 1.276 322 P CA -0.657 62.248 63.100 -0.326 0.000 0.801 322 P CB 0.453 31.859 31.700 -0.491 0.000 1.127 323 A N 0.754 123.524 122.820 -0.084 0.000 2.462 323 A HA 0.418 4.738 4.320 -0.000 0.000 0.243 323 A C 0.263 177.841 177.584 -0.010 0.000 1.076 323 A CA 0.076 52.119 52.037 0.010 0.000 0.773 323 A CB -0.766 18.304 19.000 0.118 0.000 1.010 323 A HN 0.447 nan 8.150 nan 0.000 0.493 324 I N 1.364 121.936 120.570 0.003 0.000 2.647 324 I HA 0.534 4.704 4.170 -0.000 0.000 0.295 324 I C -0.048 176.135 176.117 0.109 0.000 1.078 324 I CA -0.243 61.034 61.300 -0.039 0.000 1.048 324 I CB 2.552 40.490 38.000 -0.103 0.000 1.239 324 I HN 0.773 nan 8.210 nan 0.000 0.421 325 S N 3.812 119.612 115.700 0.167 0.000 2.533 325 S HA 0.837 5.307 4.470 -0.000 0.000 0.271 325 S C -1.130 173.580 174.600 0.184 0.000 1.143 325 S CA -0.765 57.572 58.200 0.228 0.000 0.891 325 S CB 1.992 65.342 63.200 0.251 0.000 1.105 325 S HN 0.807 nan 8.310 nan 0.000 0.468 326 A N 2.267 125.179 122.820 0.153 0.000 2.273 326 A HA 0.601 4.921 4.320 -0.000 0.000 0.320 326 A C 1.151 178.732 177.584 -0.004 0.000 1.358 326 A CA -0.215 51.840 52.037 0.030 0.000 0.910 326 A CB -0.057 18.873 19.000 -0.117 0.000 1.159 326 A HN 1.377 nan 8.150 nan 0.000 0.526 327 T N 0.025 114.585 114.554 0.010 0.000 3.051 327 T HA -0.084 4.266 4.350 -0.000 0.000 0.269 327 T C 1.335 175.998 174.700 -0.062 0.000 1.127 327 T CA 1.187 63.266 62.100 -0.035 0.000 1.107 327 T CB -0.281 68.559 68.868 -0.046 0.000 0.898 327 T HN 0.630 nan 8.240 nan 0.000 0.517 328 K N 1.101 121.456 120.400 -0.075 0.000 2.360 328 K HA 0.142 4.462 4.320 -0.000 0.000 0.201 328 K C 2.576 179.133 176.600 -0.072 0.000 1.046 328 K CA 0.872 57.105 56.287 -0.090 0.000 0.945 328 K CB -0.329 32.059 32.500 -0.186 0.000 0.750 328 K HN 0.500 nan 8.250 nan 0.000 0.464 329 A N 0.861 123.632 122.820 -0.081 0.000 2.015 329 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 329 A C 1.988 179.544 177.584 -0.046 0.000 1.163 329 A CA 1.291 53.288 52.037 -0.067 0.000 0.646 329 A CB -0.223 18.737 19.000 -0.066 0.000 0.806 329 A HN 0.190 nan 8.150 nan 0.000 0.448 330 M N -1.240 118.327 119.600 -0.054 0.000 2.429 330 M HA -0.035 4.445 4.480 -0.000 0.000 0.265 330 M C 2.286 178.560 176.300 -0.044 0.000 1.120 330 M CA 1.666 56.933 55.300 -0.055 0.000 1.173 330 M CB -0.017 32.527 32.600 -0.093 0.000 1.343 330 M HN 0.603 nan 8.290 nan 0.000 0.464 331 T N -2.516 112.011 114.554 -0.045 0.000 3.040 331 T HA 0.454 4.803 4.350 -0.000 0.000 0.252 331 T C 1.026 175.742 174.700 0.028 0.000 1.064 331 T CA 0.480 62.574 62.100 -0.010 0.000 1.110 331 T CB 0.167 69.046 68.868 0.018 0.000 0.921 331 T HN 0.530 nan 8.240 nan 0.000 0.480 332 G N 1.029 109.849 108.800 0.034 0.000 2.685 332 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.387 332 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.387 332 G C -1.029 173.926 174.900 0.091 0.000 1.324 332 G CA -0.392 44.758 45.100 0.084 0.000 0.878 332 G HN 0.821 nan 8.290 nan 0.000 0.527 333 H N 0.626 119.687 119.070 -0.014 0.000 2.641 333 H HA 0.623 5.178 4.556 -0.000 0.000 0.295 333 H C 1.539 176.783 175.328 -0.140 0.000 1.070 333 H CA -0.076 55.875 56.048 -0.163 0.000 1.257 333 H CB 0.792 30.307 29.762 -0.412 0.000 1.393 333 H HN 0.863 nan 8.280 nan 0.000 0.464 334 S N 4.777 120.563 115.700 0.144 0.000 2.671 334 S HA 0.134 4.604 4.470 -0.000 0.000 0.220 334 S C 1.284 175.838 174.600 -0.077 0.000 0.951 334 S CA 0.049 58.246 58.200 -0.005 0.000 0.932 334 S CB -0.558 62.637 63.200 -0.008 0.000 0.777 334 S HN 0.727 nan 8.310 nan 0.000 0.508 335 L N -0.034 121.065 121.223 -0.206 0.000 5.154 335 L HA -0.346 3.994 4.340 -0.000 0.000 0.053 335 L C 2.241 179.083 176.870 -0.048 0.000 3.137 335 L CA 1.448 56.117 54.840 -0.285 0.000 1.466 335 L CB -2.043 39.806 42.059 -0.351 0.000 2.980 335 L HN 0.421 nan 8.230 nan 0.000 0.938 336 G N -1.122 107.656 108.800 -0.036 0.000 2.470 336 G HA2 0.045 4.005 3.960 -0.000 0.000 0.220 336 G HA3 0.045 4.005 3.960 -0.000 0.000 0.220 336 G C 1.246 176.150 174.900 0.007 0.000 1.121 336 G CA 1.294 46.399 45.100 0.009 0.000 0.766 336 G HN 0.859 nan 8.290 nan 0.000 0.553 337 A N 0.279 123.097 122.820 -0.004 0.000 2.195 337 A HA 0.653 4.973 4.320 -0.000 0.000 0.210 337 A C 2.563 180.119 177.584 -0.046 0.000 1.165 337 A CA 1.266 53.291 52.037 -0.020 0.000 0.806 337 A CB -0.211 18.779 19.000 -0.016 0.000 0.847 337 A HN 0.521 nan 8.150 nan 0.000 0.482 338 A N 0.244 123.053 122.820 -0.019 0.000 1.883 338 A HA 0.043 4.363 4.320 -0.000 0.000 0.217 338 A C 2.365 179.897 177.584 -0.087 0.000 1.186 338 A CA 2.037 54.054 52.037 -0.032 0.000 0.624 338 A CB -1.387 17.629 19.000 0.026 0.000 0.822 338 A HN 0.704 nan 8.150 nan 0.000 0.444 339 G N -0.897 107.859 108.800 -0.074 0.000 2.491 339 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.218 339 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.218 339 G C 1.669 176.487 174.900 -0.136 0.000 1.180 339 G CA 1.443 46.481 45.100 -0.103 0.000 0.774 339 G HN 0.666 nan 8.290 nan 0.000 0.562 340 V N 0.125 119.959 119.914 -0.133 0.000 2.453 340 V HA -0.108 4.012 4.120 -0.000 0.000 0.247 340 V C 2.729 178.676 176.094 -0.245 0.000 1.048 340 V CA 2.486 64.691 62.300 -0.159 0.000 1.049 340 V CB -0.239 31.512 31.823 -0.121 0.000 0.672 340 V HN 0.524 nan 8.190 nan 0.000 0.457 341 Q N -0.408 119.215 119.800 -0.295 0.000 2.079 341 Q HA -0.234 4.106 4.340 -0.000 0.000 0.200 341 Q C 2.159 177.618 176.000 -0.903 0.000 0.974 341 Q CA 2.101 57.577 55.803 -0.545 0.000 0.840 341 Q CB -0.131 28.346 28.738 -0.435 0.000 0.898 341 Q HN 0.712 nan 8.270 nan 0.000 0.430 342 E N 0.302 120.193 120.200 -0.516 0.000 2.208 342 E HA -0.103 4.247 4.350 -0.000 0.000 0.193 342 E C 1.811 178.292 176.600 -0.198 0.000 0.988 342 E CA 0.682 56.895 56.400 -0.311 0.000 0.828 342 E CB 0.013 29.662 29.700 -0.086 0.000 0.763 342 E HN 0.325 nan 8.360 nan 0.000 0.478 343 A N 0.858 123.552 122.820 -0.210 0.000 1.929 343 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 343 A C 2.090 179.581 177.584 -0.156 0.000 1.176 343 A CA 0.764 52.716 52.037 -0.142 0.000 0.628 343 A CB -0.333 18.584 19.000 -0.139 0.000 0.816 343 A HN 0.132 nan 8.150 nan 0.000 0.444 344 I N -1.460 118.959 120.570 -0.252 0.000 2.252 344 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 344 I C 2.193 178.261 176.117 -0.083 0.000 1.102 344 I CA 1.067 62.233 61.300 -0.223 0.000 1.385 344 I CB -0.373 37.463 38.000 -0.272 0.000 1.064 344 I HN 0.354 nan 8.210 nan 0.000 0.414 345 Y N 0.792 121.069 120.300 -0.038 0.000 2.224 345 Y HA -0.181 4.369 4.550 -0.000 0.000 0.289 345 Y C 2.920 178.796 175.900 -0.039 0.000 1.146 345 Y CA 0.759 58.846 58.100 -0.022 0.000 1.182 345 Y CB -1.282 37.172 38.460 -0.010 0.000 0.983 345 Y HN 0.107 nan 8.280 nan 0.000 0.524 346 S N -0.035 115.740 115.700 0.126 0.000 2.387 346 S HA -0.093 4.377 4.470 -0.000 0.000 0.226 346 S C 2.145 176.763 174.600 0.029 0.000 1.026 346 S CA 0.884 59.143 58.200 0.098 0.000 0.972 346 S CB -0.551 62.721 63.200 0.120 0.000 0.814 346 S HN 0.345 nan 8.310 nan 0.000 0.477 347 L N 1.038 122.263 121.223 0.003 0.000 2.083 347 L HA -0.053 4.287 4.340 -0.000 0.000 0.209 347 L C 2.138 179.048 176.870 0.066 0.000 1.083 347 L CA 0.952 55.791 54.840 -0.002 0.000 0.752 347 L CB -0.537 41.452 42.059 -0.117 0.000 0.899 347 L HN 0.287 nan 8.230 nan 0.000 0.433 348 L N -1.197 120.085 121.223 0.097 0.000 2.156 348 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 348 L C 2.588 179.596 176.870 0.230 0.000 1.095 348 L CA 1.093 56.094 54.840 0.270 0.000 0.770 348 L CB -0.282 41.948 42.059 0.285 0.000 0.914 348 L HN 0.310 nan 8.230 nan 0.000 0.439 349 M N -0.915 118.629 119.600 -0.094 0.000 2.156 349 M HA -0.200 4.280 4.480 -0.000 0.000 0.264 349 M C 2.272 178.462 176.300 -0.183 0.000 1.067 349 M CA 1.513 56.532 55.300 -0.467 0.000 1.131 349 M CB -0.223 31.950 32.600 -0.710 0.000 1.368 349 M HN 0.202 nan 8.290 nan 0.000 0.416 350 L N 0.559 121.740 121.223 -0.071 0.000 2.056 350 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 350 L C 2.218 179.094 176.870 0.009 0.000 1.078 350 L CA 1.964 56.794 54.840 -0.017 0.000 0.749 350 L CB -0.501 41.569 42.059 0.018 0.000 0.901 350 L HN 0.216 nan 8.230 nan 0.000 0.433 351 E N -1.367 118.852 120.200 0.033 0.000 2.072 351 E HA -0.192 4.158 4.350 -0.000 0.000 0.190 351 E C 1.882 178.350 176.600 -0.221 0.000 0.982 351 E CA 1.448 57.808 56.400 -0.066 0.000 0.803 351 E CB -0.107 29.584 29.700 -0.014 0.000 0.755 351 E HN 0.621 nan 8.360 nan 0.000 0.453 352 H N -1.285 117.890 119.070 0.176 0.000 2.551 352 H HA 0.264 4.820 4.556 -0.000 0.000 0.271 352 H C 0.677 176.143 175.328 0.230 0.000 0.984 352 H CA 0.640 56.819 56.048 0.218 0.000 1.164 352 H CB 0.709 30.657 29.762 0.311 0.000 1.437 352 H HN 0.299 nan 8.280 nan 0.000 0.550 353 G N 1.783 110.711 108.800 0.214 0.000 2.324 353 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.292 353 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.292 353 G C -0.192 174.841 174.900 0.221 0.000 1.079 353 G CA 0.588 45.776 45.100 0.146 0.000 1.026 353 G HN 0.519 nan 8.290 nan 0.000 0.506 354 F N -1.911 118.021 119.950 -0.031 0.000 2.686 354 F HA 0.833 5.360 4.527 -0.000 0.000 0.311 354 F C -0.781 174.918 175.800 -0.168 0.000 1.128 354 F CA -2.233 55.724 58.000 -0.072 0.000 0.946 354 F CB 1.237 40.209 39.000 -0.047 0.000 1.336 354 F HN 0.035 nan 8.300 nan 0.000 0.457 355 I N 2.729 123.166 120.570 -0.222 0.000 2.389 355 I HA 0.604 4.774 4.170 -0.000 0.000 0.288 355 I C 0.067 176.082 176.117 -0.171 0.000 0.999 355 I CA -1.045 59.980 61.300 -0.459 0.000 1.129 355 I CB 1.676 39.501 38.000 -0.292 0.000 1.288 355 I HN 0.951 nan 8.210 nan 0.000 0.444 356 A N 9.202 131.855 122.820 -0.280 0.000 2.425 356 A HA 0.514 4.834 4.320 -0.000 0.000 0.249 356 A C -2.330 175.268 177.584 0.022 0.000 1.084 356 A CA -1.106 50.945 52.037 0.024 0.000 0.781 356 A CB -0.278 18.717 19.000 -0.009 0.000 1.019 356 A HN 0.434 nan 8.150 nan 0.000 0.490 357 P HA 0.108 nan 4.420 nan 0.000 0.274 357 P C -0.328 177.002 177.300 0.050 0.000 1.231 357 P CA -0.161 62.968 63.100 0.048 0.000 0.790 357 P CB 1.123 32.845 31.700 0.037 0.000 0.951 358 S N 2.504 118.246 115.700 0.071 0.000 2.464 358 S HA 0.368 4.838 4.470 -0.000 0.000 0.313 358 S C 0.604 175.236 174.600 0.054 0.000 1.078 358 S CA -0.812 57.438 58.200 0.082 0.000 1.096 358 S CB -1.377 61.917 63.200 0.156 0.000 1.032 358 S HN 0.340 nan 8.310 nan 0.000 0.498 359 I N 1.999 122.581 120.570 0.021 0.000 3.156 359 I HA 0.513 4.683 4.170 -0.000 0.000 0.306 359 I C 0.472 176.587 176.117 -0.003 0.000 1.048 359 I CA -0.554 60.751 61.300 0.008 0.000 1.207 359 I CB 0.351 38.347 38.000 -0.007 0.000 1.456 359 I HN 0.508 nan 8.210 nan 0.000 0.616 360 N N 0.782 119.477 118.700 -0.008 0.000 2.800 360 N HA -0.172 4.568 4.740 -0.000 0.000 0.250 360 N C -0.545 174.960 175.510 -0.008 0.000 1.078 360 N CA 1.018 54.054 53.050 -0.025 0.000 0.804 360 N CB -1.580 36.867 38.487 -0.065 0.000 1.135 360 N HN 0.626 nan 8.380 nan 0.000 0.565 361 I N 1.297 121.880 120.570 0.022 0.000 2.294 361 I HA 0.044 4.214 4.170 -0.000 0.000 0.295 361 I C 1.427 177.569 176.117 0.042 0.000 1.098 361 I CA 0.053 61.379 61.300 0.043 0.000 1.277 361 I CB 0.599 38.643 38.000 0.073 0.000 1.434 361 I HN 0.035 nan 8.210 nan 0.000 0.498 362 E N 3.869 124.099 120.200 0.050 0.000 2.166 362 E HA 0.013 4.363 4.350 -0.000 0.000 0.192 362 E C 0.428 177.068 176.600 0.067 0.000 0.967 362 E CA 0.518 56.956 56.400 0.063 0.000 0.840 362 E CB 0.510 30.263 29.700 0.087 0.000 0.795 362 E HN 0.543 nan 8.360 nan 0.000 0.470 363 E N 0.985 121.223 120.200 0.063 0.000 2.302 363 E HA 0.164 4.514 4.350 -0.000 0.000 0.263 363 E C -1.457 175.151 176.600 0.013 0.000 0.897 363 E CA -0.610 55.814 56.400 0.040 0.000 0.809 363 E CB 1.039 30.769 29.700 0.050 0.000 1.270 363 E HN -0.063 nan 8.360 nan 0.000 0.410 364 L N 4.255 125.491 121.223 0.021 0.000 2.455 364 L HA 0.117 4.457 4.340 -0.000 0.000 0.272 364 L C 0.312 177.187 176.870 0.009 0.000 1.174 364 L CA 0.525 55.380 54.840 0.025 0.000 0.869 364 L CB 0.676 42.745 42.059 0.016 0.000 1.130 364 L HN 0.608 nan 8.230 nan 0.000 0.474 365 D N 3.229 123.644 120.400 0.025 0.000 2.419 365 D HA -0.074 4.566 4.640 -0.000 0.000 0.236 365 D C 0.714 177.018 176.300 0.007 0.000 1.165 365 D CA 0.233 54.243 54.000 0.016 0.000 0.882 365 D CB 0.884 41.720 40.800 0.060 0.000 1.201 365 D HN 0.703 nan 8.370 nan 0.000 0.443 366 E N 1.337 121.540 120.200 0.004 0.000 2.106 366 E HA -0.201 4.149 4.350 -0.000 0.000 0.192 366 E C 1.679 178.280 176.600 0.001 0.000 0.984 366 E CA 0.840 57.242 56.400 0.002 0.000 0.806 366 E CB 0.085 29.788 29.700 0.005 0.000 0.750 366 E HN 0.532 nan 8.360 nan 0.000 0.458 367 Q N -0.259 119.547 119.800 0.009 0.000 2.488 367 Q HA 0.023 4.362 4.340 -0.000 0.000 0.211 367 Q C 1.604 177.595 176.000 -0.014 0.000 0.967 367 Q CA 0.594 56.401 55.803 0.007 0.000 0.926 367 Q CB 0.249 29.003 28.738 0.025 0.000 0.992 367 Q HN 0.184 nan 8.270 nan 0.000 0.506 368 A N 0.628 123.428 122.820 -0.034 0.000 2.238 368 A HA 0.364 4.684 4.320 -0.000 0.000 0.210 368 A C 1.013 178.549 177.584 -0.080 0.000 1.179 368 A CA 0.094 52.071 52.037 -0.100 0.000 0.827 368 A CB 0.117 19.030 19.000 -0.145 0.000 0.856 368 A HN 0.277 nan 8.150 nan 0.000 0.488 369 A N -0.575 122.220 122.820 -0.042 0.000 2.567 369 A HA 0.416 4.736 4.320 -0.000 0.000 0.240 369 A C 1.637 179.202 177.584 -0.032 0.000 1.053 369 A CA 0.780 52.798 52.037 -0.031 0.000 0.755 369 A CB -0.685 18.306 19.000 -0.016 0.000 0.978 369 A HN 1.970 nan 8.150 nan 0.000 0.507 370 G N 1.020 109.801 108.800 -0.031 0.000 2.176 370 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.253 370 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.253 370 G C 0.054 174.932 174.900 -0.036 0.000 0.979 370 G CA 0.390 45.474 45.100 -0.026 0.000 0.641 370 G HN 0.819 nan 8.290 nan 0.000 0.530 371 L N 0.264 121.451 121.223 -0.060 0.000 2.344 371 L HA 0.498 4.838 4.340 -0.000 0.000 0.272 371 L C 0.446 177.268 176.870 -0.081 0.000 1.035 371 L CA -1.107 53.685 54.840 -0.079 0.000 0.807 371 L CB 1.339 43.326 42.059 -0.120 0.000 1.237 371 L HN 0.071 nan 8.230 nan 0.000 0.442 372 N N 2.926 121.580 118.700 -0.077 0.000 2.968 372 N HA 0.233 4.973 4.740 -0.000 0.000 0.271 372 N C -0.714 174.763 175.510 -0.056 0.000 1.174 372 N CA -0.029 52.987 53.050 -0.056 0.000 1.096 372 N CB -0.237 38.222 38.487 -0.046 0.000 1.403 372 N HN 0.406 nan 8.380 nan 0.000 0.522 373 I N 2.422 122.953 120.570 -0.066 0.000 2.322 373 I HA 0.103 4.273 4.170 -0.000 0.000 0.292 373 I C 0.044 176.166 176.117 0.008 0.000 1.060 373 I CA -0.785 60.484 61.300 -0.051 0.000 1.309 373 I CB 1.009 38.936 38.000 -0.122 0.000 1.415 373 I HN -0.027 nan 8.210 nan 0.000 0.492 374 V N 6.036 125.976 119.914 0.045 0.000 2.439 374 V HA 0.023 4.143 4.120 -0.000 0.000 0.271 374 V C 1.297 177.426 176.094 0.057 0.000 1.040 374 V CA 0.163 62.494 62.300 0.051 0.000 1.002 374 V CB 0.812 32.674 31.823 0.064 0.000 1.000 374 V HN 0.903 nan 8.190 nan 0.000 0.477 375 T N 0.672 115.252 114.554 0.042 0.000 3.092 375 T HA 0.284 4.634 4.350 -0.000 0.000 0.258 375 T C 0.196 174.915 174.700 0.033 0.000 1.031 375 T CA -0.190 61.935 62.100 0.042 0.000 0.925 375 T CB -0.152 68.738 68.868 0.037 0.000 1.036 375 T HN 0.822 nan 8.240 nan 0.000 0.544 376 E N 0.216 120.434 120.200 0.031 0.000 2.366 376 E HA 0.400 4.750 4.350 -0.000 0.000 0.278 376 E C -1.460 175.161 176.600 0.035 0.000 0.923 376 E CA -1.124 55.292 56.400 0.026 0.000 0.761 376 E CB 0.838 30.549 29.700 0.018 0.000 1.231 376 E HN -0.086 nan 8.360 nan 0.000 0.443 377 T N 2.297 116.874 114.554 0.039 0.000 2.866 377 T HA 0.135 4.485 4.350 -0.000 0.000 0.293 377 T C 0.031 174.767 174.700 0.060 0.000 1.005 377 T CA 0.725 62.867 62.100 0.069 0.000 1.162 377 T CB 0.088 68.977 68.868 0.035 0.000 0.968 377 T HN 0.563 nan 8.240 nan 0.000 0.530 378 T N 1.517 116.121 114.554 0.084 0.000 2.879 378 T HA 0.317 4.667 4.350 -0.000 0.000 0.290 378 T C -0.913 173.839 174.700 0.086 0.000 0.993 378 T CA -1.158 60.977 62.100 0.059 0.000 0.975 378 T CB 1.151 70.039 68.868 0.032 0.000 0.981 378 T HN 0.364 nan 8.240 nan 0.000 0.439 379 D N 2.874 123.319 120.400 0.075 0.000 2.389 379 D HA 0.487 5.126 4.640 -0.000 0.000 0.247 379 D C 0.263 176.597 176.300 0.056 0.000 1.128 379 D CA 0.117 54.171 54.000 0.090 0.000 0.884 379 D CB 1.236 42.072 40.800 0.060 0.000 1.194 379 D HN 0.652 nan 8.370 nan 0.000 0.441 380 R N 0.889 121.422 120.500 0.054 0.000 2.644 380 R HA 0.096 4.436 4.340 -0.000 0.000 0.257 380 R C -1.423 174.889 176.300 0.020 0.000 1.082 380 R CA -0.501 55.614 56.100 0.024 0.000 0.927 380 R CB 1.137 31.440 30.300 0.005 0.000 1.258 380 R HN 0.229 nan 8.270 nan 0.000 0.459 381 E N 4.011 124.221 120.200 0.017 0.000 2.257 381 E HA 0.228 4.578 4.350 -0.000 0.000 0.278 381 E C -0.485 176.117 176.600 0.005 0.000 1.049 381 E CA -0.099 56.309 56.400 0.013 0.000 0.876 381 E CB 0.807 30.515 29.700 0.013 0.000 1.035 381 E HN 0.321 nan 8.360 nan 0.000 0.419 382 L N 2.252 123.474 121.223 -0.002 0.000 2.331 382 L HA 0.353 4.693 4.340 -0.000 0.000 0.275 382 L C 0.881 177.756 176.870 0.008 0.000 1.022 382 L CA -0.334 54.506 54.840 -0.000 0.000 0.812 382 L CB 1.831 43.878 42.059 -0.021 0.000 1.257 382 L HN 0.562 nan 8.230 nan 0.000 0.435 383 T N -1.450 113.114 114.554 0.016 0.000 3.075 383 T HA 0.094 4.444 4.350 -0.000 0.000 0.251 383 T C 0.241 174.954 174.700 0.022 0.000 0.979 383 T CA 0.295 62.404 62.100 0.015 0.000 1.033 383 T CB 0.700 69.575 68.868 0.012 0.000 1.104 383 T HN 0.570 nan 8.240 nan 0.000 0.473 384 T N 3.144 117.716 114.554 0.031 0.000 2.840 384 T HA 0.678 5.027 4.350 -0.000 0.000 0.287 384 T C -0.670 174.061 174.700 0.050 0.000 0.991 384 T CA -0.683 61.440 62.100 0.037 0.000 0.964 384 T CB 1.897 70.787 68.868 0.037 0.000 0.954 384 T HN 0.236 nan 8.240 nan 0.000 0.438 385 V N 1.307 121.255 119.914 0.056 0.000 2.864 385 V HA 0.855 4.975 4.120 -0.000 0.000 0.314 385 V C -0.588 175.522 176.094 0.027 0.000 1.073 385 V CA -1.205 61.137 62.300 0.070 0.000 0.956 385 V CB 2.114 34.025 31.823 0.147 0.000 1.023 385 V HN 0.966 nan 8.190 nan 0.000 0.435 386 M N 3.026 122.607 119.600 -0.031 0.000 2.464 386 M HA 0.739 5.219 4.480 -0.000 0.000 0.308 386 M C -1.009 175.237 176.300 -0.090 0.000 1.127 386 M CA -0.286 54.995 55.300 -0.030 0.000 0.913 386 M CB 2.227 34.836 32.600 0.014 0.000 1.689 386 M HN 0.967 nan 8.290 nan 0.000 0.445 387 S N 3.223 118.884 115.700 -0.064 0.000 2.672 387 S HA 0.567 5.037 4.470 -0.000 0.000 0.291 387 S C -1.420 173.099 174.600 -0.135 0.000 1.145 387 S CA -0.780 57.361 58.200 -0.099 0.000 1.013 387 S CB 0.974 64.129 63.200 -0.075 0.000 1.017 387 S HN 0.842 nan 8.310 nan 0.000 0.487 388 N N 2.098 120.669 118.700 -0.215 0.000 2.473 388 N HA 0.547 5.287 4.740 -0.000 0.000 0.291 388 N C -1.266 173.906 175.510 -0.564 0.000 1.083 388 N CA -0.360 52.415 53.050 -0.458 0.000 0.951 388 N CB 1.812 39.938 38.487 -0.601 0.000 1.164 388 N HN 0.476 nan 8.380 nan 0.000 0.480 389 S N 1.579 116.814 115.700 -0.776 0.000 2.775 389 S HA 0.465 4.935 4.470 -0.000 0.000 0.277 389 S C -1.375 172.829 174.600 -0.660 0.000 1.156 389 S CA -0.585 57.269 58.200 -0.576 0.000 1.081 389 S CB 0.171 63.204 63.200 -0.279 0.000 1.054 389 S HN 0.268 nan 8.310 nan 0.000 0.482 390 F N 1.768 121.274 119.950 -0.741 0.000 2.427 390 F HA 0.725 5.252 4.527 -0.000 0.000 0.348 390 F C 0.833 176.426 175.800 -0.345 0.000 1.125 390 F CA -1.016 56.692 58.000 -0.487 0.000 0.989 390 F CB 1.417 40.158 39.000 -0.430 0.000 1.165 390 F HN 0.594 nan 8.300 nan 0.000 0.442 391 G N 2.022 110.899 108.800 0.129 0.000 2.597 391 G HA2 0.548 4.508 3.960 -0.000 0.000 0.317 391 G HA3 0.548 4.508 3.960 -0.000 0.000 0.317 391 G C -0.808 174.329 174.900 0.395 0.000 1.230 391 G CA -0.824 44.412 45.100 0.226 0.000 0.996 391 G HN 0.434 nan 8.290 nan 0.000 0.490 392 F N -0.175 119.875 119.950 0.166 0.000 2.553 392 F HA 0.297 4.824 4.527 -0.000 0.000 0.356 392 F C 1.687 177.555 175.800 0.114 0.000 1.142 392 F CA 1.186 59.277 58.000 0.152 0.000 1.322 392 F CB 0.965 40.073 39.000 0.180 0.000 1.126 392 F HN 0.809 nan 8.300 nan 0.000 0.599 393 G N 1.135 110.077 108.800 0.236 0.000 2.157 393 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.248 393 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.248 393 G C 0.677 175.642 174.900 0.108 0.000 0.979 393 G CA 0.078 45.263 45.100 0.142 0.000 0.650 393 G HN 1.768 nan 8.290 nan 0.000 0.529 394 G N -1.058 107.812 108.800 0.117 0.000 2.246 394 G HA2 0.099 4.059 3.960 -0.000 0.000 0.273 394 G HA3 0.099 4.059 3.960 -0.000 0.000 0.273 394 G C 0.336 175.290 174.900 0.091 0.000 1.055 394 G CA 1.402 46.548 45.100 0.077 0.000 0.851 394 G HN 2.030 nan 8.290 nan 0.000 0.500 395 T N 0.292 114.935 114.554 0.148 0.000 2.758 395 T HA 0.581 4.931 4.350 -0.000 0.000 0.285 395 T C 0.078 174.916 174.700 0.230 0.000 0.981 395 T CA -0.631 61.581 62.100 0.188 0.000 0.965 395 T CB 0.377 69.380 68.868 0.225 0.000 0.927 395 T HN 0.325 nan 8.240 nan 0.000 0.448 396 N N 2.846 121.684 118.700 0.231 0.000 2.335 396 N HA 0.764 5.503 4.740 -0.000 0.000 0.304 396 N C -1.196 174.422 175.510 0.181 0.000 1.135 396 N CA -0.683 52.537 53.050 0.283 0.000 0.817 396 N CB 2.105 40.740 38.487 0.247 0.000 1.294 396 N HN 0.776 nan 8.380 nan 0.000 0.497 397 A N 0.451 123.307 122.820 0.059 0.000 2.517 397 A HA 0.697 5.017 4.320 -0.000 0.000 0.297 397 A C -1.018 176.541 177.584 -0.042 0.000 1.050 397 A CA -0.517 51.481 52.037 -0.065 0.000 0.694 397 A CB 1.346 20.105 19.000 -0.403 0.000 1.277 397 A HN 0.454 nan 8.150 nan 0.000 0.400 398 T N 2.322 116.901 114.554 0.042 0.000 2.921 398 T HA 0.610 4.960 4.350 -0.000 0.000 0.297 398 T C -0.880 173.887 174.700 0.111 0.000 1.013 398 T CA -0.251 61.871 62.100 0.036 0.000 0.990 398 T CB 0.929 69.839 68.868 0.071 0.000 1.023 398 T HN 0.512 nan 8.240 nan 0.000 0.447 399 L N 2.693 123.954 121.223 0.063 0.000 2.346 399 L HA 0.800 5.140 4.340 -0.000 0.000 0.276 399 L C -0.795 176.105 176.870 0.050 0.000 1.006 399 L CA -1.145 53.742 54.840 0.079 0.000 0.817 399 L CB 2.045 44.114 42.059 0.017 0.000 1.272 399 L HN 0.333 nan 8.230 nan 0.000 0.421 400 V N 3.743 123.696 119.914 0.064 0.000 2.444 400 V HA 0.520 4.640 4.120 -0.000 0.000 0.294 400 V C -0.177 175.940 176.094 0.038 0.000 1.022 400 V CA -0.356 61.975 62.300 0.052 0.000 0.850 400 V CB 1.769 33.632 31.823 0.066 0.000 0.992 400 V HN 0.713 nan 8.190 nan 0.000 0.426 401 M N 4.938 124.555 119.600 0.028 0.000 2.465 401 M HA 0.678 5.158 4.480 -0.000 0.000 0.316 401 M C -0.544 175.770 176.300 0.025 0.000 1.121 401 M CA -0.435 54.877 55.300 0.020 0.000 0.934 401 M CB 2.670 35.276 32.600 0.010 0.000 1.692 401 M HN 0.587 nan 8.290 nan 0.000 0.444 402 R N 1.291 121.802 120.500 0.018 0.000 2.725 402 R HA 0.460 4.800 4.340 -0.000 0.000 0.277 402 R C -1.163 175.141 176.300 0.007 0.000 0.987 402 R CA -0.814 55.295 56.100 0.016 0.000 0.901 402 R CB 1.976 32.286 30.300 0.016 0.000 1.207 402 R HN 0.633 nan 8.270 nan 0.000 0.463 403 K N 2.417 122.820 120.400 0.004 0.000 2.448 403 K HA 0.012 4.332 4.320 -0.000 0.000 0.278 403 K C -0.476 176.115 176.600 -0.015 0.000 1.009 403 K CA -0.019 56.263 56.287 -0.008 0.000 0.995 403 K CB 0.468 32.963 32.500 -0.009 0.000 0.917 403 K HN 0.290 nan 8.250 nan 0.000 0.481 404 L N 4.626 125.831 121.223 -0.030 0.000 2.278 404 L HA 0.101 4.441 4.340 -0.000 0.000 0.287 404 L C -0.637 176.214 176.870 -0.032 0.000 1.072 404 L CA -0.231 54.591 54.840 -0.031 0.000 0.819 404 L CB 0.529 42.561 42.059 -0.045 0.000 1.176 404 L HN 0.377 nan 8.230 nan 0.000 0.435 405 K N 5.188 125.575 120.400 -0.022 0.000 2.010 405 K HA -0.143 4.177 4.320 -0.000 0.000 0.237 405 K C 0.281 176.867 176.600 -0.024 0.000 1.338 405 K CA 1.138 57.414 56.287 -0.019 0.000 1.419 405 K CB -1.557 30.934 32.500 -0.014 0.000 0.779 405 K HN 0.840 nan 8.250 nan 0.000 0.455 406 D N 0.000 120.383 120.400 -0.028 0.000 6.856 406 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 406 D CA 0.000 53.982 54.000 -0.031 0.000 0.868 406 D CB 0.000 40.788 40.800 -0.020 0.000 0.688 406 D HN 0.000 nan 8.370 nan 0.000 0.683