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 2bz3_1_C DATA FIRST_RESID 1 DATA SEQUENCE MKRAVITGLG 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 PIDYLNSEGT 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 55.308 55.300 0.014 0.000 0.988 1 M CB 0.000 32.611 32.600 0.019 0.000 1.302 2 K N 2.935 123.341 120.400 0.010 0.000 2.485 2 K HA 0.232 4.551 4.320 -0.000 0.000 0.277 2 K C -0.728 175.874 176.600 0.004 0.000 0.990 2 K CA 0.501 56.791 56.287 0.006 0.000 0.994 2 K CB 0.395 32.896 32.500 0.002 0.000 0.906 2 K HN 0.464 nan 8.250 nan 0.000 0.488 3 R N 0.964 121.464 120.500 0.000 0.000 2.604 3 R HA 0.675 5.015 4.340 -0.000 0.000 0.287 3 R C -0.770 175.523 176.300 -0.013 0.000 0.970 3 R CA -0.901 55.197 56.100 -0.003 0.000 0.946 3 R CB 1.859 32.157 30.300 -0.003 0.000 1.127 3 R HN 0.634 nan 8.270 nan 0.000 0.473 4 A N 2.146 124.954 122.820 -0.019 0.000 2.331 4 A HA 0.648 4.968 4.320 -0.000 0.000 0.320 4 A C -0.404 177.157 177.584 -0.037 0.000 1.138 4 A CA -0.675 51.340 52.037 -0.037 0.000 0.790 4 A CB 1.109 20.079 19.000 -0.050 0.000 1.206 4 A HN 0.530 nan 8.150 nan 0.000 0.470 5 V N -0.075 119.812 119.914 -0.044 0.000 3.074 5 V HA 0.728 4.848 4.120 -0.000 0.000 0.314 5 V C -0.680 175.387 176.094 -0.045 0.000 1.117 5 V CA -1.090 61.188 62.300 -0.038 0.000 1.014 5 V CB 1.787 33.590 31.823 -0.034 0.000 1.057 5 V HN 0.616 nan 8.190 nan 0.000 0.438 6 I N 2.755 123.313 120.570 -0.019 0.000 2.321 6 I HA 0.425 4.594 4.170 -0.000 0.000 0.291 6 I C 1.091 177.264 176.117 0.095 0.000 0.998 6 I CA 0.154 61.452 61.300 -0.003 0.000 1.227 6 I CB 1.123 39.106 38.000 -0.028 0.000 1.368 6 I HN 1.040 nan 8.210 nan 0.000 0.466 7 T N 1.157 115.756 114.554 0.075 0.000 3.085 7 T HA 0.497 4.847 4.350 -0.000 0.000 0.264 7 T C 0.536 175.374 174.700 0.230 0.000 1.019 7 T CA -0.304 61.864 62.100 0.113 0.000 0.910 7 T CB 0.449 69.331 68.868 0.023 0.000 1.059 7 T HN 0.769 nan 8.240 nan 0.000 0.542 8 G N 1.374 110.312 108.800 0.230 0.000 2.655 8 G HA2 0.540 4.499 3.960 -0.000 0.000 0.296 8 G HA3 0.540 4.499 3.960 -0.000 0.000 0.296 8 G C -2.050 172.866 174.900 0.026 0.000 1.485 8 G CA -0.926 44.306 45.100 0.219 0.000 0.869 8 G HN 0.650 nan 8.290 nan 0.000 0.540 9 L N -1.037 120.180 121.223 -0.009 0.000 2.469 9 L HA 1.066 5.405 4.340 -0.000 0.000 0.256 9 L C -0.028 176.808 176.870 -0.057 0.000 1.006 9 L CA -0.892 53.879 54.840 -0.115 0.000 0.832 9 L CB 1.852 43.736 42.059 -0.292 0.000 1.421 9 L HN 1.286 nan 8.230 nan 0.000 0.410 10 G N 0.759 109.514 108.800 -0.075 0.000 2.706 10 G HA2 0.774 4.734 3.960 -0.000 0.000 0.297 10 G HA3 0.774 4.734 3.960 -0.000 0.000 0.297 10 G C -2.061 172.804 174.900 -0.058 0.000 1.403 10 G CA -0.640 44.430 45.100 -0.051 0.000 0.954 10 G HN 1.026 nan 8.290 nan 0.000 0.500 11 I N 0.524 121.074 120.570 -0.033 0.000 2.842 11 I HA 0.590 4.760 4.170 -0.000 0.000 0.297 11 I C -1.564 174.542 176.117 -0.019 0.000 1.380 11 I CA -0.940 60.337 61.300 -0.038 0.000 1.018 11 I CB 2.335 40.306 38.000 -0.049 0.000 1.311 11 I HN 0.357 nan 8.210 nan 0.000 0.439 12 V N 6.228 126.118 119.914 -0.040 0.000 2.398 12 V HA 0.540 4.660 4.120 -0.000 0.000 0.282 12 V C -0.269 175.739 176.094 -0.144 0.000 1.014 12 V CA -0.201 62.054 62.300 -0.075 0.000 0.838 12 V CB 1.251 33.037 31.823 -0.062 0.000 1.018 12 V HN 0.795 nan 8.190 nan 0.000 0.432 13 S N 2.525 118.169 115.700 -0.093 0.000 2.704 13 S HA 0.460 4.930 4.470 -0.000 0.000 0.296 13 S C 1.242 175.790 174.600 -0.086 0.000 1.138 13 S CA 0.139 58.290 58.200 -0.082 0.000 0.875 13 S CB 1.928 65.163 63.200 0.059 0.000 1.151 13 S HN 0.901 nan 8.310 nan 0.000 0.500 14 S N 0.635 116.290 115.700 -0.076 0.000 2.440 14 S HA -0.106 4.364 4.470 -0.000 0.000 0.238 14 S C 1.487 176.065 174.600 -0.037 0.000 1.010 14 S CA 1.195 59.354 58.200 -0.069 0.000 0.972 14 S CB -1.162 62.010 63.200 -0.047 0.000 0.774 14 S HN 1.043 nan 8.310 nan 0.000 0.501 15 I N -2.508 118.047 120.570 -0.025 0.000 3.941 15 I HA 0.657 4.827 4.170 -0.000 0.000 0.335 15 I C 0.567 176.672 176.117 -0.020 0.000 1.402 15 I CA -0.390 60.890 61.300 -0.033 0.000 1.112 15 I CB 0.143 38.097 38.000 -0.075 0.000 1.043 15 I HN 0.289 nan 8.210 nan 0.000 0.395 16 G N 1.087 109.880 108.800 -0.011 0.000 2.405 16 G HA2 0.055 4.015 3.960 -0.000 0.000 0.303 16 G HA3 0.055 4.015 3.960 -0.000 0.000 0.303 16 G C -0.813 174.084 174.900 -0.005 0.000 1.644 16 G CA -0.630 44.468 45.100 -0.003 0.000 0.899 16 G HN 0.000 nan 8.290 nan 0.000 0.667 17 N N 0.108 118.805 118.700 -0.004 0.000 2.336 17 N HA 0.099 4.839 4.740 -0.000 0.000 0.189 17 N C 0.376 175.893 175.510 0.012 0.000 1.113 17 N CA 0.673 53.722 53.050 -0.002 0.000 0.858 17 N CB 0.288 38.778 38.487 0.005 0.000 0.970 17 N HN 0.817 nan 8.380 nan 0.000 0.471 18 N N -1.718 116.992 118.700 0.016 0.000 3.116 18 N HA -0.014 4.726 4.740 -0.000 0.000 0.244 18 N C 0.342 175.871 175.510 0.031 0.000 1.485 18 N CA -0.683 52.380 53.050 0.023 0.000 0.884 18 N CB 0.474 38.975 38.487 0.024 0.000 1.415 18 N HN -0.153 nan 8.380 nan 0.000 0.524 19 Q N -1.066 118.758 119.800 0.040 0.000 2.224 19 Q HA -0.123 4.217 4.340 -0.000 0.000 0.203 19 Q C 0.782 176.807 176.000 0.042 0.000 0.970 19 Q CA 1.523 57.361 55.803 0.058 0.000 0.865 19 Q CB -0.322 28.466 28.738 0.084 0.000 0.922 19 Q HN 0.661 nan 8.270 nan 0.000 0.445 20 Q N 1.192 121.006 119.800 0.024 0.000 2.079 20 Q HA -0.110 4.230 4.340 -0.000 0.000 0.200 20 Q C 1.785 177.770 176.000 -0.024 0.000 0.974 20 Q CA 1.829 57.627 55.803 -0.008 0.000 0.840 20 Q CB 0.091 28.827 28.738 -0.004 0.000 0.898 20 Q HN 0.546 nan 8.270 nan 0.000 0.430 21 E N -0.288 119.907 120.200 -0.009 0.000 2.106 21 E HA -0.127 4.223 4.350 -0.000 0.000 0.192 21 E C 2.013 178.603 176.600 -0.017 0.000 0.984 21 E CA 1.158 57.548 56.400 -0.016 0.000 0.806 21 E CB 0.048 29.744 29.700 -0.007 0.000 0.750 21 E HN 0.118 nan 8.360 nan 0.000 0.458 22 V N 1.630 121.551 119.914 0.011 0.000 2.295 22 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 22 V C 2.338 178.438 176.094 0.009 0.000 1.049 22 V CA 1.458 63.778 62.300 0.032 0.000 1.024 22 V CB -0.404 31.494 31.823 0.125 0.000 0.648 22 V HN 0.237 nan 8.190 nan 0.000 0.447 23 L N 1.072 122.296 121.223 0.002 0.000 2.042 23 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 23 L C 2.404 179.191 176.870 -0.139 0.000 1.076 23 L CA 2.498 57.308 54.840 -0.050 0.000 0.749 23 L CB -0.990 40.970 42.059 -0.165 0.000 0.893 23 L HN 0.214 nan 8.230 nan 0.000 0.432 24 A N -1.441 121.305 122.820 -0.124 0.000 1.902 24 A HA -0.172 4.147 4.320 -0.000 0.000 0.217 24 A C 2.396 179.912 177.584 -0.113 0.000 1.181 24 A CA 1.935 53.892 52.037 -0.134 0.000 0.623 24 A CB -1.010 17.933 19.000 -0.095 0.000 0.818 24 A HN 0.536 nan 8.150 nan 0.000 0.443 25 S N -0.125 115.526 115.700 -0.082 0.000 2.356 25 S HA -0.105 4.365 4.470 -0.000 0.000 0.223 25 S C 1.849 176.401 174.600 -0.080 0.000 1.032 25 S CA 1.476 59.631 58.200 -0.076 0.000 1.005 25 S CB -0.485 62.672 63.200 -0.072 0.000 0.867 25 S HN 0.504 nan 8.310 nan 0.000 0.449 26 L N 0.809 121.991 121.223 -0.068 0.000 2.042 26 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 26 L C 2.694 179.583 176.870 0.032 0.000 1.076 26 L CA 1.354 56.195 54.840 0.003 0.000 0.749 26 L CB -0.426 41.724 42.059 0.152 0.000 0.893 26 L HN 0.224 nan 8.230 nan 0.000 0.432 27 R N -0.080 120.332 120.500 -0.147 0.000 2.115 27 R HA -0.129 4.211 4.340 -0.000 0.000 0.230 27 R C 1.862 178.079 176.300 -0.138 0.000 1.111 27 R CA 1.136 57.065 56.100 -0.285 0.000 0.976 27 R CB -0.074 29.928 30.300 -0.497 0.000 0.870 27 R HN 0.463 nan 8.270 nan 0.000 0.445 28 E N -0.751 119.385 120.200 -0.105 0.000 2.474 28 E HA 0.086 4.436 4.350 -0.000 0.000 0.194 28 E C 0.600 177.173 176.600 -0.045 0.000 1.041 28 E CA 0.296 56.653 56.400 -0.071 0.000 0.874 28 E CB 0.665 30.324 29.700 -0.068 0.000 0.914 28 E HN 0.427 nan 8.360 nan 0.000 0.498 29 G N 2.807 111.584 108.800 -0.038 0.000 2.273 29 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.280 29 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.280 29 G C 0.021 174.900 174.900 -0.034 0.000 1.047 29 G CA 0.411 45.494 45.100 -0.029 0.000 0.869 29 G HN 0.204 nan 8.290 nan 0.000 0.502 30 R N 0.264 120.738 120.500 -0.043 0.000 2.340 30 R HA 0.474 4.814 4.340 -0.000 0.000 0.300 30 R C 0.766 177.044 176.300 -0.036 0.000 1.069 30 R CA 0.256 56.335 56.100 -0.035 0.000 0.984 30 R CB 0.540 30.817 30.300 -0.037 0.000 1.003 30 R HN 0.269 nan 8.270 nan 0.000 0.459 31 S N 1.894 117.583 115.700 -0.018 0.000 2.565 31 S HA 0.260 4.730 4.470 -0.000 0.000 0.276 31 S C 0.877 175.478 174.600 0.002 0.000 1.326 31 S CA -0.227 57.967 58.200 -0.009 0.000 1.045 31 S CB 1.292 64.496 63.200 0.007 0.000 0.918 31 S HN 0.784 nan 8.310 nan 0.000 0.505 32 G N 3.737 112.540 108.800 0.005 0.000 3.277 32 G HA2 0.235 4.194 3.960 -0.000 0.000 0.243 32 G HA3 0.235 4.194 3.960 -0.000 0.000 0.243 32 G C 0.102 175.037 174.900 0.058 0.000 1.107 32 G CA -0.251 44.859 45.100 0.017 0.000 0.771 32 G HN 0.607 nan 8.290 nan 0.000 0.544 33 I N 2.647 123.264 120.570 0.078 0.000 2.395 33 I HA 0.382 4.552 4.170 -0.000 0.000 0.289 33 I C 0.645 176.862 176.117 0.167 0.000 1.023 33 I CA -0.277 61.105 61.300 0.135 0.000 1.350 33 I CB 0.482 38.552 38.000 0.117 0.000 1.409 33 I HN 0.084 nan 8.210 nan 0.000 0.507 34 T N 2.739 117.444 114.554 0.252 0.000 2.865 34 T HA 0.537 4.886 4.350 -0.000 0.000 0.294 34 T C -0.546 174.295 174.700 0.235 0.000 1.119 34 T CA -0.736 61.515 62.100 0.252 0.000 1.007 34 T CB 1.764 70.794 68.868 0.271 0.000 1.225 34 T HN 0.202 nan 8.240 nan 0.000 0.515 35 F N 1.710 121.700 119.950 0.067 0.000 2.443 35 F HA 0.570 5.097 4.527 -0.000 0.000 0.353 35 F C 0.427 176.135 175.800 -0.154 0.000 1.101 35 F CA -0.157 57.826 58.000 -0.027 0.000 1.226 35 F CB 0.942 39.937 39.000 -0.007 0.000 1.140 35 F HN 0.690 nan 8.300 nan 0.000 0.557 36 S N 4.831 119.711 115.700 -1.366 0.000 2.566 36 S HA 0.201 4.671 4.470 -0.000 0.000 0.324 36 S C 0.479 174.236 174.600 -1.406 0.000 1.081 36 S CA -0.662 56.684 58.200 -1.423 0.000 1.105 36 S CB 1.358 63.230 63.200 -2.214 0.000 0.981 36 S HN 0.875 nan 8.310 nan 0.000 0.464 37 Q N 3.437 122.740 119.800 -0.827 0.000 2.167 37 Q HA -0.033 4.307 4.340 -0.000 0.000 0.202 37 Q C 1.725 177.494 176.000 -0.386 0.000 0.970 37 Q CA 2.025 57.564 55.803 -0.440 0.000 0.855 37 Q CB -0.122 28.571 28.738 -0.075 0.000 0.911 37 Q HN 0.905 nan 8.270 nan 0.000 0.438 38 E N -0.445 119.523 120.200 -0.385 0.000 2.031 38 E HA -0.189 4.160 4.350 -0.000 0.000 0.193 38 E C 1.814 178.247 176.600 -0.279 0.000 0.994 38 E CA 1.320 57.583 56.400 -0.228 0.000 0.800 38 E CB -0.172 29.514 29.700 -0.023 0.000 0.752 38 E HN 0.444 nan 8.360 nan 0.000 0.447 39 L N 0.738 121.697 121.223 -0.441 0.000 2.017 39 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 39 L C 2.879 179.600 176.870 -0.249 0.000 1.073 39 L CA 1.525 56.210 54.840 -0.259 0.000 0.745 39 L CB -0.554 41.321 42.059 -0.307 0.000 0.894 39 L HN 0.163 nan 8.230 nan 0.000 0.432 40 K N 0.247 120.380 120.400 -0.444 0.000 2.026 40 K HA -0.209 4.111 4.320 -0.000 0.000 0.208 40 K C 1.645 178.045 176.600 -0.335 0.000 1.048 40 K CA 1.842 57.784 56.287 -0.575 0.000 0.929 40 K CB -0.021 32.018 32.500 -0.768 0.000 0.713 40 K HN 0.227 nan 8.250 nan 0.000 0.439 41 D N 0.322 120.549 120.400 -0.290 0.000 2.218 41 D HA -0.125 4.515 4.640 -0.000 0.000 0.204 41 D C 1.888 178.015 176.300 -0.288 0.000 0.976 41 D CA 1.460 55.317 54.000 -0.239 0.000 0.853 41 D CB -0.121 40.554 40.800 -0.207 0.000 0.939 41 D HN 0.365 nan 8.370 nan 0.000 0.481 42 S N -0.759 114.734 115.700 -0.344 0.000 2.515 42 S HA 0.118 4.587 4.470 -0.000 0.000 0.231 42 S C 1.746 176.183 174.600 -0.272 0.000 0.987 42 S CA 0.976 58.888 58.200 -0.479 0.000 0.936 42 S CB 0.126 63.032 63.200 -0.490 0.000 0.766 42 S HN 0.323 nan 8.310 nan 0.000 0.528 43 G N 0.494 109.197 108.800 -0.161 0.000 2.144 43 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.218 43 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.218 43 G C -0.022 174.884 174.900 0.010 0.000 0.988 43 G CA 0.101 45.157 45.100 -0.073 0.000 0.659 43 G HN 0.485 nan 8.290 nan 0.000 0.522 44 M N -0.634 118.991 119.600 0.042 0.000 2.163 44 M HA 0.442 4.922 4.480 -0.000 0.000 0.305 44 M C 1.858 178.263 176.300 0.175 0.000 1.166 44 M CA -0.076 55.288 55.300 0.106 0.000 1.132 44 M CB 0.564 33.235 32.600 0.119 0.000 1.413 44 M HN 0.143 nan 8.290 nan 0.000 0.478 45 R N -0.515 120.023 120.500 0.065 0.000 2.223 45 R HA 0.118 4.458 4.340 -0.000 0.000 0.198 45 R C 0.349 176.480 176.300 -0.282 0.000 0.984 45 R CA 0.172 56.231 56.100 -0.067 0.000 1.018 45 R CB 0.300 30.570 30.300 -0.051 0.000 0.945 45 R HN 0.535 nan 8.270 nan 0.000 0.479 46 S N 0.477 116.113 115.700 -0.106 0.000 2.430 46 S HA 0.143 4.613 4.470 -0.000 0.000 0.289 46 S C -0.114 174.490 174.600 0.007 0.000 1.143 46 S CA -0.591 57.543 58.200 -0.109 0.000 1.067 46 S CB 0.317 63.493 63.200 -0.040 0.000 0.964 46 S HN 0.336 nan 8.310 nan 0.000 0.485 47 H N 2.924 121.949 119.070 -0.074 0.000 2.486 47 H HA 0.345 4.900 4.556 -0.000 0.000 0.284 47 H C 0.025 175.159 175.328 -0.323 0.000 1.103 47 H CA -0.586 55.327 56.048 -0.225 0.000 1.089 47 H CB 0.506 30.233 29.762 -0.058 0.000 1.603 47 H HN 0.452 nan 8.280 nan 0.000 0.557 48 V N -1.832 118.037 119.914 -0.074 0.000 2.962 48 V HA 0.647 4.767 4.120 -0.000 0.000 0.313 48 V C -1.418 174.741 176.094 0.108 0.000 1.099 48 V CA -0.936 61.347 62.300 -0.028 0.000 0.971 48 V CB 2.220 34.105 31.823 0.104 0.000 1.028 48 V HN 0.396 nan 8.190 nan 0.000 0.430 49 W N 1.252 122.570 121.300 0.031 0.000 3.066 49 W HA 0.829 5.488 4.660 -0.000 0.000 0.330 49 W C -0.358 176.184 176.519 0.039 0.000 1.253 49 W CA -1.702 55.666 57.345 0.038 0.000 1.187 49 W CB 0.814 30.293 29.460 0.032 0.000 1.434 49 W HN 1.058 nan 8.180 nan 0.000 0.572 50 G N 1.976 110.899 108.800 0.205 0.000 2.741 50 G HA2 0.412 4.372 3.960 -0.000 0.000 0.336 50 G HA3 0.412 4.372 3.960 -0.000 0.000 0.336 50 G C -0.559 174.223 174.900 -0.197 0.000 1.022 50 G CA -0.827 44.294 45.100 0.035 0.000 1.193 50 G HN 0.625 nan 8.290 nan 0.000 0.455 51 N N 0.358 118.871 118.700 -0.312 0.000 2.509 51 N HA 0.427 5.167 4.740 -0.000 0.000 0.287 51 N C -0.334 175.017 175.510 -0.266 0.000 1.121 51 N CA -0.896 51.861 53.050 -0.489 0.000 0.977 51 N CB 2.082 40.228 38.487 -0.569 0.000 1.167 51 N HN 0.021 nan 8.380 nan 0.000 0.476 52 V N 1.370 121.104 119.914 -0.301 0.000 2.470 52 V HA 0.032 4.151 4.120 -0.000 0.000 0.276 52 V C 0.413 176.434 176.094 -0.122 0.000 1.040 52 V CA -0.157 61.989 62.300 -0.257 0.000 1.008 52 V CB 0.475 32.026 31.823 -0.453 0.000 0.990 52 V HN 0.739 nan 8.190 nan 0.000 0.477 53 K N 5.450 125.807 120.400 -0.073 0.000 2.778 53 K HA 0.485 4.805 4.320 -0.000 0.000 0.238 53 K C -0.847 175.752 176.600 -0.002 0.000 1.233 53 K CA -0.239 56.038 56.287 -0.018 0.000 1.195 53 K CB 0.307 32.805 32.500 -0.003 0.000 1.743 53 K HN 0.433 nan 8.250 nan 0.000 0.418 54 L N 0.250 121.479 121.223 0.009 0.000 2.493 54 L HA 0.340 4.680 4.340 -0.000 0.000 0.265 54 L C -1.713 175.190 176.870 0.054 0.000 0.954 54 L CA -0.619 54.239 54.840 0.031 0.000 0.844 54 L CB 1.982 44.061 42.059 0.033 0.000 1.302 54 L HN 0.078 nan 8.230 nan 0.000 0.405 55 D N 1.913 122.341 120.400 0.047 0.000 2.339 55 D HA 0.233 4.873 4.640 -0.000 0.000 0.241 55 D C 0.975 177.305 176.300 0.050 0.000 1.183 55 D CA 0.481 54.509 54.000 0.047 0.000 0.859 55 D CB 1.305 42.126 40.800 0.035 0.000 1.067 55 D HN 0.692 nan 8.370 nan 0.000 0.484 56 T N 0.054 114.642 114.554 0.058 0.000 3.148 56 T HA 0.026 4.376 4.350 -0.000 0.000 0.253 56 T C 0.747 175.454 174.700 0.011 0.000 1.134 56 T CA -0.276 61.854 62.100 0.049 0.000 1.051 56 T CB -0.454 68.449 68.868 0.058 0.000 0.959 56 T HN 0.262 nan 8.240 nan 0.000 0.525 57 T N 2.406 116.964 114.554 0.006 0.000 2.871 57 T HA 0.416 4.766 4.350 -0.000 0.000 0.296 57 T C 1.531 176.222 174.700 -0.014 0.000 0.998 57 T CA 0.700 62.793 62.100 -0.012 0.000 1.162 57 T CB 0.166 69.030 68.868 -0.006 0.000 0.947 57 T HN 0.714 nan 8.240 nan 0.000 0.536 58 G N 2.622 111.402 108.800 -0.033 0.000 2.189 58 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.267 58 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.267 58 G C 0.797 175.684 174.900 -0.022 0.000 0.975 58 G CA 0.306 45.387 45.100 -0.031 0.000 0.644 58 G HN 0.702 nan 8.290 nan 0.000 0.537 59 L N -0.415 120.799 121.223 -0.015 0.000 2.492 59 L HA 0.385 4.725 4.340 -0.000 0.000 0.223 59 L C 1.131 178.001 176.870 0.001 0.000 1.132 59 L CA 0.604 55.453 54.840 0.016 0.000 0.850 59 L CB -0.026 42.064 42.059 0.050 0.000 0.966 59 L HN 0.293 nan 8.230 nan 0.000 0.454 60 I N -1.135 119.381 120.570 -0.089 0.000 2.647 60 I HA 0.172 4.342 4.170 -0.000 0.000 0.295 60 I C -0.213 175.795 176.117 -0.181 0.000 1.078 60 I CA -0.888 60.291 61.300 -0.202 0.000 1.048 60 I CB 2.290 40.014 38.000 -0.459 0.000 1.239 60 I HN -0.143 nan 8.210 nan 0.000 0.421 61 D N 5.264 125.566 120.400 -0.164 0.000 2.583 61 D HA -0.059 4.581 4.640 -0.000 0.000 0.232 61 D C 1.365 177.575 176.300 -0.151 0.000 1.128 61 D CA 0.296 54.222 54.000 -0.123 0.000 0.859 61 D CB 1.110 41.851 40.800 -0.097 0.000 1.169 61 D HN 0.621 nan 8.370 nan 0.000 0.481 62 R N 3.517 123.943 120.500 -0.124 0.000 2.105 62 R HA -0.190 4.150 4.340 -0.000 0.000 0.239 62 R C 1.497 177.696 176.300 -0.168 0.000 1.135 62 R CA 0.859 56.869 56.100 -0.150 0.000 0.967 62 R CB -0.220 30.007 30.300 -0.122 0.000 0.861 62 R HN 0.181 nan 8.270 nan 0.000 0.442 63 K N 0.681 121.016 120.400 -0.107 0.000 2.283 63 K HA 0.021 4.341 4.320 -0.000 0.000 0.202 63 K C 1.779 178.388 176.600 0.014 0.000 1.048 63 K CA 0.765 57.020 56.287 -0.054 0.000 0.948 63 K CB 0.145 32.646 32.500 0.001 0.000 0.742 63 K HN 0.088 nan 8.250 nan 0.000 0.458 64 V N -1.146 118.733 119.914 -0.059 0.000 2.492 64 V HA -0.036 4.084 4.120 -0.000 0.000 0.241 64 V C 1.833 177.858 176.094 -0.116 0.000 1.041 64 V CA 0.877 63.146 62.300 -0.052 0.000 1.057 64 V CB 0.108 31.818 31.823 -0.189 0.000 0.711 64 V HN 0.040 nan 8.190 nan 0.000 0.468 65 V N 2.408 122.176 119.914 -0.244 0.000 2.913 65 V HA -0.181 3.939 4.120 -0.000 0.000 0.260 65 V C 2.702 178.611 176.094 -0.309 0.000 1.098 65 V CA 2.007 64.138 62.300 -0.282 0.000 1.121 65 V CB -0.670 30.982 31.823 -0.284 0.000 0.714 65 V HN 0.707 nan 8.190 nan 0.000 0.487 66 R N -1.163 119.091 120.500 -0.410 0.000 2.237 66 R HA -0.096 4.243 4.340 -0.000 0.000 0.219 66 R C 1.707 177.522 176.300 -0.808 0.000 1.080 66 R CA 1.910 57.573 56.100 -0.728 0.000 0.995 66 R CB -0.608 29.040 30.300 -1.087 0.000 0.875 66 R HN 0.510 nan 8.270 nan 0.000 0.462 67 F N 0.891 120.642 119.950 -0.332 0.000 2.749 67 F HA 0.351 4.878 4.527 -0.000 0.000 0.300 67 F C 0.820 176.484 175.800 -0.226 0.000 1.103 67 F CA -0.348 57.534 58.000 -0.197 0.000 1.342 67 F CB 0.263 39.207 39.000 -0.094 0.000 1.098 67 F HN -0.121 nan 8.300 nan 0.000 0.586 68 M N -0.086 119.433 119.600 -0.135 0.000 2.367 68 M HA 0.346 4.826 4.480 -0.000 0.000 0.339 68 M C 0.411 176.532 176.300 -0.298 0.000 1.177 68 M CA -0.674 54.520 55.300 -0.177 0.000 1.068 68 M CB 1.552 34.054 32.600 -0.162 0.000 1.602 68 M HN -0.034 nan 8.290 nan 0.000 0.457 69 S N -0.395 115.167 115.700 -0.230 0.000 2.730 69 S HA 0.325 4.795 4.470 -0.000 0.000 0.284 69 S C 0.322 174.841 174.600 -0.135 0.000 1.153 69 S CA -0.767 57.334 58.200 -0.164 0.000 0.995 69 S CB 1.044 64.228 63.200 -0.027 0.000 1.058 69 S HN 0.677 nan 8.310 nan 0.000 0.552 70 D N 1.027 121.358 120.400 -0.115 0.000 2.149 70 D HA -0.048 4.592 4.640 -0.000 0.000 0.198 70 D C 2.176 178.164 176.300 -0.520 0.000 0.990 70 D CA 1.778 55.538 54.000 -0.400 0.000 0.839 70 D CB -0.853 39.725 40.800 -0.369 0.000 0.948 70 D HN 0.672 nan 8.370 nan 0.000 0.460 71 A N 0.446 123.155 122.820 -0.184 0.000 1.883 71 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 71 A C 2.452 180.024 177.584 -0.021 0.000 1.186 71 A CA 2.028 54.046 52.037 -0.032 0.000 0.624 71 A CB -0.640 18.384 19.000 0.040 0.000 0.822 71 A HN 0.183 nan 8.150 nan 0.000 0.444 72 S N -0.290 115.386 115.700 -0.040 0.000 2.382 72 S HA -0.085 4.385 4.470 -0.000 0.000 0.228 72 S C 1.793 176.410 174.600 0.029 0.000 1.027 72 S CA 1.357 59.565 58.200 0.014 0.000 0.991 72 S CB -0.475 62.721 63.200 -0.006 0.000 0.823 72 S HN 0.533 nan 8.310 nan 0.000 0.469 73 I N 0.326 120.831 120.570 -0.108 0.000 2.179 73 I HA -0.210 3.960 4.170 -0.000 0.000 0.242 73 I C 2.033 178.193 176.117 0.071 0.000 1.088 73 I CA 1.344 62.585 61.300 -0.098 0.000 1.357 73 I CB -0.422 37.421 38.000 -0.262 0.000 1.051 73 I HN 0.267 nan 8.210 nan 0.000 0.409 74 Y N 0.812 121.152 120.300 0.067 0.000 2.224 74 Y HA -0.165 4.385 4.550 -0.000 0.000 0.289 74 Y C 2.647 178.589 175.900 0.069 0.000 1.146 74 Y CA 0.722 58.855 58.100 0.055 0.000 1.182 74 Y CB -1.321 37.151 38.460 0.019 0.000 0.983 74 Y HN 0.123 nan 8.280 nan 0.000 0.524 75 A N -0.429 122.525 122.820 0.223 0.000 1.898 75 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 75 A C 2.199 179.868 177.584 0.142 0.000 1.181 75 A CA 1.295 53.415 52.037 0.138 0.000 0.620 75 A CB -1.329 17.734 19.000 0.106 0.000 0.819 75 A HN 0.437 nan 8.150 nan 0.000 0.442 76 F N 0.633 120.628 119.950 0.075 0.000 2.102 76 F HA -0.162 4.365 4.527 -0.000 0.000 0.298 76 F C 1.943 177.822 175.800 0.131 0.000 1.105 76 F CA 1.871 59.955 58.000 0.139 0.000 1.239 76 F CB -0.190 38.876 39.000 0.110 0.000 0.991 76 F HN 0.138 nan 8.300 nan 0.000 0.474 77 L N -0.695 120.748 121.223 0.366 0.000 2.083 77 L HA -0.229 4.111 4.340 -0.000 0.000 0.209 77 L C 2.481 179.392 176.870 0.069 0.000 1.083 77 L CA 1.363 56.343 54.840 0.234 0.000 0.752 77 L CB -0.869 41.332 42.059 0.236 0.000 0.899 77 L HN 0.095 nan 8.230 nan 0.000 0.433 78 S N -0.456 115.272 115.700 0.046 0.000 2.383 78 S HA -0.189 4.281 4.470 -0.000 0.000 0.227 78 S C 1.911 176.440 174.600 -0.118 0.000 1.026 78 S CA 1.398 59.584 58.200 -0.024 0.000 0.981 78 S CB -0.169 63.021 63.200 -0.016 0.000 0.818 78 S HN 0.359 nan 8.310 nan 0.000 0.472 79 M N 1.381 120.849 119.600 -0.220 0.000 2.175 79 M HA -0.070 4.410 4.480 -0.000 0.000 0.264 79 M C 1.955 177.954 176.300 -0.502 0.000 1.063 79 M CA 1.369 56.387 55.300 -0.470 0.000 1.119 79 M CB -0.104 32.009 32.600 -0.811 0.000 1.377 79 M HN 0.219 nan 8.290 nan 0.000 0.415 80 E N -0.118 119.883 120.200 -0.333 0.000 2.058 80 E HA -0.266 4.084 4.350 -0.000 0.000 0.194 80 E C 2.038 178.575 176.600 -0.106 0.000 0.997 80 E CA 1.694 57.996 56.400 -0.163 0.000 0.801 80 E CB -0.150 29.532 29.700 -0.030 0.000 0.746 80 E HN 0.671 nan 8.360 nan 0.000 0.450 81 Q N -0.013 119.743 119.800 -0.074 0.000 2.084 81 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 81 Q C 2.224 178.202 176.000 -0.036 0.000 0.978 81 Q CA 1.351 57.136 55.803 -0.031 0.000 0.844 81 Q CB -0.177 28.553 28.738 -0.014 0.000 0.898 81 Q HN 0.229 nan 8.270 nan 0.000 0.426 82 A N 0.836 123.609 122.820 -0.078 0.000 1.933 82 A HA -0.173 4.146 4.320 -0.000 0.000 0.218 82 A C 2.023 179.594 177.584 -0.022 0.000 1.175 82 A CA 1.143 53.154 52.037 -0.043 0.000 0.628 82 A CB -0.592 18.374 19.000 -0.056 0.000 0.814 82 A HN 0.306 nan 8.150 nan 0.000 0.444 83 I N -0.475 120.028 120.570 -0.112 0.000 2.252 83 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 83 I C 2.939 179.051 176.117 -0.009 0.000 1.102 83 I CA 1.047 62.282 61.300 -0.108 0.000 1.385 83 I CB -0.286 37.534 38.000 -0.300 0.000 1.064 83 I HN 0.361 nan 8.210 nan 0.000 0.414 84 A N 0.176 122.996 122.820 -0.001 0.000 1.929 84 A HA -0.258 4.062 4.320 -0.000 0.000 0.216 84 A C 1.983 179.594 177.584 0.046 0.000 1.176 84 A CA 2.053 54.109 52.037 0.033 0.000 0.628 84 A CB -0.594 18.424 19.000 0.031 0.000 0.816 84 A HN 0.417 nan 8.150 nan 0.000 0.444 85 D N -0.056 120.377 120.400 0.054 0.000 2.144 85 D HA 0.002 4.642 4.640 -0.000 0.000 0.200 85 D C 1.845 178.213 176.300 0.113 0.000 0.978 85 D CA 1.421 55.477 54.000 0.094 0.000 0.833 85 D CB -0.149 40.730 40.800 0.133 0.000 0.961 85 D HN 0.321 nan 8.370 nan 0.000 0.470 86 A N -0.690 122.189 122.820 0.098 0.000 2.167 86 A HA 0.374 4.694 4.320 -0.000 0.000 0.214 86 A C 1.828 179.458 177.584 0.077 0.000 1.151 86 A CA 1.074 53.169 52.037 0.096 0.000 0.735 86 A CB -0.586 18.454 19.000 0.066 0.000 0.802 86 A HN 0.480 nan 8.150 nan 0.000 0.467 87 G N -0.950 107.892 108.800 0.070 0.000 2.198 87 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.257 87 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.257 87 G C -0.086 174.868 174.900 0.089 0.000 1.042 87 G CA 0.362 45.502 45.100 0.067 0.000 0.791 87 G HN 0.458 nan 8.290 nan 0.000 0.502 88 L N 1.375 122.667 121.223 0.115 0.000 2.289 88 L HA 0.600 4.940 4.340 -0.000 0.000 0.285 88 L C 1.061 178.092 176.870 0.268 0.000 1.049 88 L CA -0.273 54.681 54.840 0.191 0.000 0.804 88 L CB 1.673 43.856 42.059 0.207 0.000 1.195 88 L HN 0.408 nan 8.230 nan 0.000 0.428 89 S N 1.926 117.770 115.700 0.241 0.000 2.617 89 S HA 0.463 4.933 4.470 -0.000 0.000 0.283 89 S C -2.075 172.597 174.600 0.119 0.000 1.189 89 S CA -1.412 56.897 58.200 0.181 0.000 1.036 89 S CB 1.777 65.028 63.200 0.085 0.000 1.014 89 S HN 0.343 nan 8.310 nan 0.000 0.522 90 P HA -0.114 nan 4.420 nan 0.000 0.216 90 P C 0.919 178.009 177.300 -0.351 0.000 1.150 90 P CA 1.282 64.120 63.100 -0.435 0.000 0.843 90 P CB -0.009 31.562 31.700 -0.214 0.000 0.787 91 E N -0.745 119.369 120.200 -0.144 0.000 2.209 91 E HA -0.143 4.207 4.350 -0.000 0.000 0.196 91 E C 2.012 178.571 176.600 -0.068 0.000 0.993 91 E CA 1.520 57.864 56.400 -0.094 0.000 0.819 91 E CB -0.741 28.936 29.700 -0.039 0.000 0.745 91 E HN 0.228 nan 8.360 nan 0.000 0.477 92 A N -0.090 122.716 122.820 -0.024 0.000 1.943 92 A HA -0.044 4.275 4.320 -0.000 0.000 0.213 92 A C 1.844 179.492 177.584 0.106 0.000 1.181 92 A CA 0.983 53.059 52.037 0.066 0.000 0.653 92 A CB -0.356 18.727 19.000 0.139 0.000 0.833 92 A HN 0.481 nan 8.150 nan 0.000 0.451 93 Y N -0.934 119.411 120.300 0.074 0.000 2.462 93 Y HA 0.427 4.977 4.550 -0.000 0.000 0.253 93 Y C 0.736 176.671 175.900 0.059 0.000 1.095 93 Y CA -0.584 57.573 58.100 0.094 0.000 1.283 93 Y CB -0.247 38.334 38.460 0.202 0.000 1.138 93 Y HN 0.193 nan 8.280 nan 0.000 0.522 94 Q N 1.576 121.084 119.800 -0.486 0.000 2.299 94 Q HA 0.156 4.496 4.340 -0.000 0.000 0.246 94 Q C -0.399 175.428 176.000 -0.288 0.000 0.935 94 Q CA -0.422 55.167 55.803 -0.355 0.000 0.887 94 Q CB 0.582 29.057 28.738 -0.439 0.000 1.223 94 Q HN 0.379 nan 8.270 nan 0.000 0.439 95 N N 1.675 120.090 118.700 -0.475 0.000 2.716 95 N HA -0.202 4.538 4.740 -0.000 0.000 0.250 95 N C -1.355 173.980 175.510 -0.292 0.000 1.033 95 N CA 0.742 53.307 53.050 -0.808 0.000 0.727 95 N CB -0.921 37.317 38.487 -0.415 0.000 0.950 95 N HN 0.467 nan 8.380 nan 0.000 0.541 96 N N -0.508 118.110 118.700 -0.136 0.000 2.491 96 N HA 0.366 5.106 4.740 -0.000 0.000 0.274 96 N C -2.124 173.449 175.510 0.105 0.000 1.023 96 N CA -2.105 50.960 53.050 0.026 0.000 0.902 96 N CB 1.600 40.105 38.487 0.030 0.000 1.267 96 N HN -0.174 nan 8.380 nan 0.000 0.503 97 P HA -0.024 nan 4.420 nan 0.000 0.221 97 P C 0.435 177.774 177.300 0.064 0.000 1.145 97 P CA 1.089 64.258 63.100 0.116 0.000 0.795 97 P CB 0.314 32.066 31.700 0.087 0.000 0.775 98 R N -0.937 119.586 120.500 0.038 0.000 2.426 98 R HA 0.203 4.543 4.340 -0.000 0.000 0.263 98 R C -0.403 175.871 176.300 -0.044 0.000 0.961 98 R CA 0.014 56.109 56.100 -0.008 0.000 1.086 98 R CB 0.357 30.643 30.300 -0.024 0.000 1.186 98 R HN 0.072 nan 8.270 nan 0.000 0.537 99 V N 0.363 120.281 119.914 0.005 0.000 2.444 99 V HA 0.544 4.664 4.120 -0.000 0.000 0.294 99 V C 0.397 176.522 176.094 0.053 0.000 1.022 99 V CA -0.777 61.525 62.300 0.003 0.000 0.850 99 V CB 1.607 33.491 31.823 0.102 0.000 0.992 99 V HN 0.304 nan 8.190 nan 0.000 0.426 100 G N 3.220 112.018 108.800 -0.003 0.000 3.013 100 G HA2 0.849 4.809 3.960 -0.000 0.000 0.278 100 G HA3 0.849 4.809 3.960 -0.000 0.000 0.278 100 G C -1.662 173.266 174.900 0.047 0.000 1.353 100 G CA -0.787 44.319 45.100 0.009 0.000 1.043 100 G HN 0.690 nan 8.290 nan 0.000 0.523 101 L N -0.329 120.878 121.223 -0.027 0.000 2.505 101 L HA 0.687 5.027 4.340 -0.000 0.000 0.266 101 L C -1.543 175.227 176.870 -0.166 0.000 0.954 101 L CA -0.694 54.137 54.840 -0.016 0.000 0.852 101 L CB 1.776 43.853 42.059 0.030 0.000 1.282 101 L HN 0.431 nan 8.230 nan 0.000 0.403 102 I N 5.290 125.771 120.570 -0.148 0.000 2.476 102 I HA 0.741 4.911 4.170 -0.000 0.000 0.281 102 I C -0.563 175.516 176.117 -0.064 0.000 1.040 102 I CA -0.302 60.885 61.300 -0.189 0.000 1.094 102 I CB 1.733 39.607 38.000 -0.210 0.000 1.219 102 I HN 0.678 nan 8.210 nan 0.000 0.450 103 A N 4.227 127.034 122.820 -0.021 0.000 2.547 103 A HA 0.956 5.275 4.320 -0.000 0.000 0.297 103 A C -0.688 176.922 177.584 0.042 0.000 1.056 103 A CA -0.418 51.625 52.037 0.009 0.000 0.688 103 A CB 1.881 20.881 19.000 -0.001 0.000 1.282 103 A HN 0.740 nan 8.150 nan 0.000 0.400 104 G N -0.262 108.568 108.800 0.050 0.000 2.921 104 G HA2 0.837 4.797 3.960 -0.000 0.000 0.291 104 G HA3 0.837 4.797 3.960 -0.000 0.000 0.291 104 G C -0.472 174.464 174.900 0.059 0.000 1.370 104 G CA 0.166 45.306 45.100 0.065 0.000 0.847 104 G HN 1.892 nan 8.290 nan 0.000 0.532 105 S N -2.082 113.656 115.700 0.064 0.000 2.632 105 S HA 0.661 5.130 4.470 -0.000 0.000 0.289 105 S C 1.040 175.677 174.600 0.062 0.000 1.115 105 S CA 0.254 58.491 58.200 0.061 0.000 0.889 105 S CB 1.521 64.759 63.200 0.064 0.000 1.116 105 S HN 1.449 nan 8.310 nan 0.000 0.486 106 G N -0.227 108.607 108.800 0.057 0.000 2.430 106 G HA2 0.371 4.330 3.960 -0.000 0.000 0.216 106 G HA3 0.371 4.330 3.960 -0.000 0.000 0.216 106 G C 0.769 175.715 174.900 0.077 0.000 1.146 106 G CA 0.312 45.448 45.100 0.061 0.000 0.793 106 G HN 1.440 nan 8.290 nan 0.000 0.537 107 G N -1.292 107.555 108.800 0.078 0.000 5.021 107 G HA2 0.514 4.474 3.960 -0.000 0.000 0.254 107 G HA3 0.514 4.474 3.960 -0.000 0.000 0.254 107 G C 0.902 175.844 174.900 0.070 0.000 0.932 107 G CA 0.793 45.939 45.100 0.076 0.000 0.743 107 G HN 1.039 nan 8.290 nan 0.000 0.441 108 G N 0.754 109.596 108.800 0.069 0.000 2.646 108 G HA2 -0.188 3.771 3.960 -0.000 0.000 0.324 108 G HA3 -0.188 3.771 3.960 -0.000 0.000 0.324 108 G C 0.536 175.484 174.900 0.079 0.000 1.195 108 G CA 0.998 46.139 45.100 0.069 0.000 0.976 108 G HN 1.714 nan 8.290 nan 0.000 0.546 109 S N 1.152 116.908 115.700 0.094 0.000 2.496 109 S HA 0.639 5.109 4.470 -0.000 0.000 0.221 109 S C -1.485 173.175 174.600 0.099 0.000 1.260 109 S CA 0.011 58.285 58.200 0.123 0.000 1.181 109 S CB 1.911 65.246 63.200 0.226 0.000 1.136 109 S HN 0.235 nan 8.310 nan 0.000 0.467 110 P HA -0.066 nan 4.420 nan 0.000 0.217 110 P C 1.527 178.783 177.300 -0.073 0.000 1.150 110 P CA 0.626 63.713 63.100 -0.022 0.000 0.832 110 P CB 0.147 31.813 31.700 -0.056 0.000 0.787 111 R N -0.876 119.561 120.500 -0.104 0.000 2.080 111 R HA -0.130 4.210 4.340 -0.000 0.000 0.236 111 R C 1.894 178.073 176.300 -0.202 0.000 1.137 111 R CA 1.728 57.695 56.100 -0.222 0.000 0.943 111 R CB -0.948 29.181 30.300 -0.285 0.000 0.846 111 R HN 0.095 nan 8.270 nan 0.000 0.431 112 F N 0.848 120.818 119.950 0.034 0.000 2.456 112 F HA -0.023 4.504 4.527 -0.000 0.000 0.298 112 F C 2.580 178.479 175.800 0.165 0.000 1.104 112 F CA 0.812 58.887 58.000 0.125 0.000 1.435 112 F CB 0.042 39.084 39.000 0.071 0.000 1.078 112 F HN 0.100 nan 8.300 nan 0.000 0.546 113 Q N -0.174 119.752 119.800 0.209 0.000 2.079 113 Q HA -0.124 4.216 4.340 -0.000 0.000 0.200 113 Q C 2.541 178.589 176.000 0.079 0.000 0.974 113 Q CA 1.495 57.377 55.803 0.132 0.000 0.840 113 Q CB -0.596 28.188 28.738 0.077 0.000 0.898 113 Q HN 0.301 nan 8.270 nan 0.000 0.430 114 V N 1.026 120.961 119.914 0.035 0.000 2.427 114 V HA -0.226 3.893 4.120 -0.000 0.000 0.248 114 V C 2.048 178.164 176.094 0.035 0.000 1.051 114 V CA 1.679 63.981 62.300 0.003 0.000 1.048 114 V CB -0.737 31.044 31.823 -0.069 0.000 0.666 114 V HN 0.274 nan 8.190 nan 0.000 0.456 115 F N 2.217 122.130 119.950 -0.061 0.000 2.126 115 F HA -0.055 4.472 4.527 -0.000 0.000 0.299 115 F C 2.148 177.963 175.800 0.025 0.000 1.096 115 F CA 1.718 59.693 58.000 -0.041 0.000 1.255 115 F CB -0.956 37.976 39.000 -0.114 0.000 0.997 115 F HN 0.122 nan 8.300 nan 0.000 0.479 116 G N 0.073 108.802 108.800 -0.117 0.000 2.480 116 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.216 116 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.216 116 G C 1.855 176.621 174.900 -0.223 0.000 1.200 116 G CA 1.239 46.215 45.100 -0.207 0.000 0.782 116 G HN 0.668 nan 8.290 nan 0.000 0.554 117 A N 0.982 123.736 122.820 -0.109 0.000 1.883 117 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 117 A C 2.124 179.643 177.584 -0.107 0.000 1.186 117 A CA 2.268 54.256 52.037 -0.080 0.000 0.624 117 A CB -0.554 18.427 19.000 -0.032 0.000 0.822 117 A HN 0.303 nan 8.150 nan 0.000 0.444 118 D N -0.025 120.301 120.400 -0.122 0.000 2.123 118 D HA -0.054 4.586 4.640 -0.000 0.000 0.196 118 D C 2.196 178.399 176.300 -0.162 0.000 0.992 118 D CA 1.626 55.566 54.000 -0.101 0.000 0.833 118 D CB -0.404 40.366 40.800 -0.051 0.000 0.954 118 D HN 0.437 nan 8.370 nan 0.000 0.455 119 A N 0.331 122.951 122.820 -0.334 0.000 1.897 119 A HA -0.106 4.214 4.320 -0.000 0.000 0.215 119 A C 2.099 179.569 177.584 -0.190 0.000 1.181 119 A CA 1.377 53.219 52.037 -0.326 0.000 0.620 119 A CB -0.466 18.146 19.000 -0.647 0.000 0.821 119 A HN 0.151 nan 8.150 nan 0.000 0.443 120 M N 0.074 119.567 119.600 -0.179 0.000 2.213 120 M HA -0.063 4.417 4.480 -0.000 0.000 0.263 120 M C 1.796 178.055 176.300 -0.068 0.000 1.062 120 M CA 1.460 56.698 55.300 -0.103 0.000 1.105 120 M CB -0.465 32.084 32.600 -0.084 0.000 1.385 120 M HN 0.354 nan 8.290 nan 0.000 0.417 121 R N -0.038 120.423 120.500 -0.066 0.000 2.307 121 R HA 0.175 4.515 4.340 -0.000 0.000 0.199 121 R C 1.041 177.321 176.300 -0.033 0.000 1.000 121 R CA 0.333 56.408 56.100 -0.040 0.000 1.023 121 R CB -0.462 29.820 30.300 -0.031 0.000 0.908 121 R HN 0.470 nan 8.270 nan 0.000 0.473 122 G N 1.155 109.929 108.800 -0.043 0.000 2.580 122 G HA2 0.118 4.078 3.960 -0.000 0.000 0.278 122 G HA3 0.118 4.078 3.960 -0.000 0.000 0.278 122 G C -1.479 173.408 174.900 -0.021 0.000 1.212 122 G CA -1.042 44.041 45.100 -0.028 0.000 0.939 122 G HN -0.064 nan 8.290 nan 0.000 0.513 123 P HA -0.055 nan 4.420 nan 0.000 0.222 123 P C 1.257 178.552 177.300 -0.008 0.000 1.147 123 P CA 0.565 63.660 63.100 -0.008 0.000 0.790 123 P CB 0.342 32.040 31.700 -0.003 0.000 0.780 124 R N -0.521 119.973 120.500 -0.010 0.000 2.240 124 R HA 0.133 4.473 4.340 -0.000 0.000 0.203 124 R C 1.847 178.137 176.300 -0.015 0.000 1.011 124 R CA 0.818 56.914 56.100 -0.007 0.000 1.007 124 R CB -1.095 29.206 30.300 0.000 0.000 0.911 124 R HN 0.233 nan 8.270 nan 0.000 0.468 125 G N 1.784 110.569 108.800 -0.026 0.000 2.651 125 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.315 125 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.315 125 G C 1.050 175.928 174.900 -0.036 0.000 1.258 125 G CA 0.600 45.680 45.100 -0.033 0.000 1.002 125 G HN 0.282 nan 8.290 nan 0.000 0.551 126 L N 0.478 121.685 121.223 -0.026 0.000 2.081 126 L HA -0.116 4.224 4.340 -0.000 0.000 0.212 126 L C 3.013 179.875 176.870 -0.013 0.000 1.080 126 L CA 2.259 57.086 54.840 -0.022 0.000 0.754 126 L CB -0.519 41.529 42.059 -0.018 0.000 0.893 126 L HN 0.533 nan 8.230 nan 0.000 0.433 127 K N -0.065 120.331 120.400 -0.007 0.000 2.209 127 K HA -0.117 4.203 4.320 -0.000 0.000 0.204 127 K C 2.157 178.770 176.600 0.023 0.000 1.048 127 K CA 1.240 57.530 56.287 0.005 0.000 0.940 127 K CB -0.171 32.332 32.500 0.006 0.000 0.729 127 K HN 0.313 nan 8.250 nan 0.000 0.451 128 A N 0.779 123.604 122.820 0.009 0.000 1.970 128 A HA -0.033 4.287 4.320 -0.000 0.000 0.216 128 A C 2.270 179.875 177.584 0.035 0.000 1.170 128 A CA 0.717 52.767 52.037 0.023 0.000 0.645 128 A CB -0.218 18.767 19.000 -0.025 0.000 0.816 128 A HN 0.036 nan 8.150 nan 0.000 0.447 129 V N -0.446 119.455 119.914 -0.022 0.000 2.307 129 V HA 0.211 4.331 4.120 -0.000 0.000 0.245 129 V C 1.597 177.796 176.094 0.176 0.000 1.045 129 V CA 1.135 63.431 62.300 -0.007 0.000 1.024 129 V CB -1.869 29.931 31.823 -0.038 0.000 0.651 129 V HN 1.203 nan 8.190 nan 0.000 0.449 130 G N 0.687 109.543 108.800 0.093 0.000 2.781 130 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.683 130 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.683 130 G C -1.794 173.085 174.900 -0.035 0.000 1.390 130 G CA -0.093 45.043 45.100 0.061 0.000 0.850 130 G HN 0.319 nan 8.290 nan 0.000 0.557 131 P HA 0.274 nan 4.420 nan 0.000 0.263 131 P C -0.031 177.005 177.300 -0.441 0.000 1.448 131 P CA 0.446 63.341 63.100 -0.342 0.000 0.983 131 P CB -0.016 31.426 31.700 -0.430 0.000 1.481 132 Y N -1.531 118.758 120.300 -0.019 0.000 2.500 132 Y HA 0.121 4.670 4.550 -0.000 0.000 0.246 132 Y C 2.157 178.029 175.900 -0.046 0.000 1.146 132 Y CA -0.132 57.918 58.100 -0.083 0.000 1.230 132 Y CB -0.113 38.190 38.460 -0.262 0.000 1.214 132 Y HN -0.269 nan 8.280 nan 0.000 0.526 133 V N -1.284 118.718 119.914 0.146 0.000 2.453 133 V HA -0.210 3.910 4.120 -0.000 0.000 0.247 133 V C 2.090 178.248 176.094 0.108 0.000 1.048 133 V CA 1.485 63.878 62.300 0.155 0.000 1.049 133 V CB -0.690 31.286 31.823 0.256 0.000 0.672 133 V HN 0.220 nan 8.190 nan 0.000 0.457 134 V N 1.324 121.298 119.914 0.101 0.000 2.255 134 V HA -0.302 3.818 4.120 -0.000 0.000 0.247 134 V C 2.832 178.975 176.094 0.081 0.000 1.051 134 V CA 2.735 65.086 62.300 0.086 0.000 1.018 134 V CB -1.450 30.417 31.823 0.074 0.000 0.641 134 V HN 0.810 nan 8.190 nan 0.000 0.445 135 T N -2.092 112.528 114.554 0.110 0.000 3.007 135 T HA -0.167 4.183 4.350 -0.000 0.000 0.270 135 T C 1.684 176.404 174.700 0.033 0.000 1.107 135 T CA 1.333 63.490 62.100 0.095 0.000 1.118 135 T CB -0.258 68.721 68.868 0.184 0.000 0.889 135 T HN 0.500 nan 8.240 nan 0.000 0.506 136 K N 0.820 121.204 120.400 -0.027 0.000 2.166 136 K HA 0.375 4.695 4.320 -0.000 0.000 0.201 136 K C 2.643 179.243 176.600 -0.001 0.000 1.052 136 K CA 0.842 57.045 56.287 -0.139 0.000 0.969 136 K CB -0.100 32.090 32.500 -0.517 0.000 0.761 136 K HN 0.403 nan 8.250 nan 0.000 0.459 137 A N 1.904 124.763 122.820 0.065 0.000 2.030 137 A HA 0.075 4.395 4.320 -0.000 0.000 0.215 137 A C 1.248 178.878 177.584 0.077 0.000 1.164 137 A CA -0.033 52.069 52.037 0.107 0.000 0.697 137 A CB -0.405 18.676 19.000 0.134 0.000 0.827 137 A HN 0.311 nan 8.150 nan 0.000 0.457 138 M N -1.479 118.159 119.600 0.063 0.000 2.252 138 M HA 0.446 4.926 4.480 -0.000 0.000 0.333 138 M C 0.951 177.284 176.300 0.055 0.000 1.111 138 M CA 0.455 55.788 55.300 0.055 0.000 1.140 138 M CB 0.456 33.086 32.600 0.049 0.000 1.538 138 M HN 0.065 nan 8.290 nan 0.000 0.448 139 A N 2.124 124.976 122.820 0.054 0.000 2.019 139 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 139 A C 2.093 179.714 177.584 0.061 0.000 1.164 139 A CA 1.906 53.977 52.037 0.058 0.000 0.644 139 A CB -0.965 18.069 19.000 0.055 0.000 0.805 139 A HN 1.020 nan 8.150 nan 0.000 0.449 140 S N -0.710 115.026 115.700 0.060 0.000 2.631 140 S HA 0.242 4.711 4.470 -0.000 0.000 0.217 140 S C 1.717 176.352 174.600 0.058 0.000 0.958 140 S CA 0.642 58.882 58.200 0.068 0.000 0.920 140 S CB -0.526 62.717 63.200 0.071 0.000 0.776 140 S HN 0.615 nan 8.310 nan 0.000 0.517 141 G N 2.307 111.138 108.800 0.051 0.000 2.556 141 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.220 141 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.220 141 G C 1.325 176.252 174.900 0.045 0.000 1.156 141 G CA 1.334 46.459 45.100 0.041 0.000 0.766 141 G HN 0.493 nan 8.290 nan 0.000 0.583 142 V N 1.686 121.632 119.914 0.052 0.000 2.343 142 V HA -0.212 3.908 4.120 -0.000 0.000 0.247 142 V C 3.261 179.394 176.094 0.064 0.000 1.051 142 V CA 2.513 64.849 62.300 0.060 0.000 1.036 142 V CB -0.461 31.397 31.823 0.059 0.000 0.654 142 V HN 0.652 nan 8.190 nan 0.000 0.451 143 S N 0.672 116.407 115.700 0.058 0.000 2.377 143 S HA -0.025 4.445 4.470 -0.000 0.000 0.223 143 S C 2.128 176.762 174.600 0.056 0.000 1.030 143 S CA 1.029 59.258 58.200 0.049 0.000 0.970 143 S CB -0.433 62.795 63.200 0.045 0.000 0.830 143 S HN 0.532 nan 8.310 nan 0.000 0.473 144 A N 1.062 123.912 122.820 0.051 0.000 1.877 144 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 144 A C 2.374 179.976 177.584 0.030 0.000 1.186 144 A CA 1.557 53.614 52.037 0.033 0.000 0.620 144 A CB -1.514 17.496 19.000 0.017 0.000 0.822 144 A HN 0.696 nan 8.150 nan 0.000 0.443 145 C N -1.144 118.184 119.300 0.047 0.000 2.472 145 C HA 0.145 4.605 4.460 -0.000 0.000 0.278 145 C C 2.252 177.337 174.990 0.159 0.000 1.447 145 C CA 0.697 59.752 59.018 0.061 0.000 1.773 145 C CB -1.369 26.402 27.740 0.052 0.000 1.793 145 C HN 0.527 nan 8.230 nan 0.000 0.544 146 L N 0.296 121.631 121.223 0.187 0.000 2.433 146 L HA 0.273 4.613 4.340 -0.000 0.000 0.200 146 L C 2.631 179.669 176.870 0.280 0.000 1.059 146 L CA 1.541 56.571 54.840 0.316 0.000 0.835 146 L CB -1.190 40.996 42.059 0.212 0.000 1.076 146 L HN 0.134 nan 8.230 nan 0.000 0.481 147 A N -0.772 122.138 122.820 0.150 0.000 1.940 147 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 147 A C 2.289 179.951 177.584 0.131 0.000 1.176 147 A CA 2.532 54.646 52.037 0.128 0.000 0.631 147 A CB -1.023 18.024 19.000 0.079 0.000 0.814 147 A HN 0.423 nan 8.150 nan 0.000 0.446 148 T N 0.394 114.999 114.554 0.084 0.000 2.639 148 T HA -0.073 4.277 4.350 -0.000 0.000 0.261 148 T C 0.006 174.724 174.700 0.030 0.000 1.053 148 T CA 1.684 63.806 62.100 0.036 0.000 1.158 148 T CB -1.128 67.716 68.868 -0.039 0.000 0.863 148 T HN 0.522 nan 8.240 nan 0.000 0.413 149 P HA -0.034 nan 4.420 nan 0.000 0.218 149 P C 0.869 178.070 177.300 -0.164 0.000 1.149 149 P CA 1.162 64.216 63.100 -0.076 0.000 0.817 149 P CB -0.282 31.386 31.700 -0.053 0.000 0.785 150 F N 0.339 120.320 119.950 0.053 0.000 2.804 150 F HA 0.145 4.671 4.527 -0.000 0.000 0.303 150 F C 0.859 176.695 175.800 0.060 0.000 1.154 150 F CA 0.068 58.093 58.000 0.042 0.000 1.401 150 F CB -0.256 38.698 39.000 -0.077 0.000 1.106 150 F HN -0.219 nan 8.300 nan 0.000 0.568 151 K N 0.381 120.861 120.400 0.133 0.000 3.096 151 K HA -0.198 4.122 4.320 -0.000 0.000 0.266 151 K C -0.427 176.207 176.600 0.057 0.000 1.043 151 K CA 0.337 56.654 56.287 0.050 0.000 0.758 151 K CB -2.351 30.111 32.500 -0.063 0.000 1.260 151 K HN 0.195 nan 8.250 nan 0.000 0.481 152 I N 1.074 121.743 120.570 0.165 0.000 2.496 152 I HA 0.043 4.213 4.170 -0.000 0.000 0.285 152 I C 1.971 178.250 176.117 0.269 0.000 1.080 152 I CA 0.264 61.677 61.300 0.188 0.000 1.404 152 I CB 0.399 38.505 38.000 0.176 0.000 1.403 152 I HN 0.256 nan 8.210 nan 0.000 0.539 153 H N 3.184 122.300 119.070 0.076 0.000 2.885 153 H HA 0.164 4.720 4.556 -0.000 0.000 0.260 153 H C 1.414 176.764 175.328 0.037 0.000 0.985 153 H CA 0.061 56.137 56.048 0.047 0.000 1.210 153 H CB 1.324 31.109 29.762 0.038 0.000 1.466 153 H HN 0.774 nan 8.280 nan 0.000 0.493 154 G N 1.102 109.995 108.800 0.155 0.000 2.679 154 G HA2 0.179 4.139 3.960 -0.000 0.000 0.202 154 G HA3 0.179 4.139 3.960 -0.000 0.000 0.202 154 G C 0.167 175.092 174.900 0.041 0.000 1.566 154 G CA 0.117 45.263 45.100 0.077 0.000 1.074 154 G HN 0.131 nan 8.290 nan 0.000 0.564 155 V N -0.785 119.127 119.914 -0.004 0.000 2.872 155 V HA 0.431 4.551 4.120 -0.000 0.000 0.307 155 V C -0.187 175.827 176.094 -0.133 0.000 1.072 155 V CA -0.223 62.044 62.300 -0.056 0.000 1.148 155 V CB 1.103 32.846 31.823 -0.133 0.000 0.954 155 V HN 0.758 nan 8.190 nan 0.000 0.490 156 N N 3.398 122.017 118.700 -0.136 0.000 2.629 156 N HA 0.500 5.240 4.740 -0.000 0.000 0.277 156 N C -1.171 174.342 175.510 0.005 0.000 1.188 156 N CA -0.563 52.425 53.050 -0.104 0.000 0.835 156 N CB 1.087 39.584 38.487 0.017 0.000 1.420 156 N HN 1.024 nan 8.380 nan 0.000 0.542 157 Y N -1.159 119.161 120.300 0.034 0.000 2.814 157 Y HA 0.660 5.210 4.550 -0.000 0.000 0.348 157 Y C -1.321 174.597 175.900 0.029 0.000 1.245 157 Y CA -1.186 56.931 58.100 0.028 0.000 1.086 157 Y CB 0.366 38.839 38.460 0.022 0.000 1.373 157 Y HN 0.104 nan 8.280 nan 0.000 0.451 158 S N 1.190 117.085 115.700 0.326 0.000 2.537 158 S HA 0.732 5.202 4.470 -0.000 0.000 0.301 158 S C -0.922 173.821 174.600 0.238 0.000 1.092 158 S CA -0.750 57.578 58.200 0.214 0.000 1.048 158 S CB 1.357 64.633 63.200 0.128 0.000 1.053 158 S HN 0.520 nan 8.310 nan 0.000 0.501 159 I N 1.726 122.407 120.570 0.185 0.000 2.404 159 I HA 0.450 4.620 4.170 -0.000 0.000 0.293 159 I C -0.106 176.082 176.117 0.118 0.000 0.992 159 I CA -0.260 61.129 61.300 0.149 0.000 1.149 159 I CB 1.947 40.047 38.000 0.167 0.000 1.315 159 I HN 0.456 nan 8.210 nan 0.000 0.446 160 S N 3.269 119.025 115.700 0.093 0.000 2.561 160 S HA 0.610 5.080 4.470 -0.000 0.000 0.303 160 S C -0.324 174.336 174.600 0.101 0.000 1.110 160 S CA -0.438 57.818 58.200 0.093 0.000 1.034 160 S CB 0.971 64.216 63.200 0.076 0.000 1.010 160 S HN 0.670 nan 8.310 nan 0.000 0.482 161 S N 2.907 118.689 115.700 0.137 0.000 2.607 161 S HA 0.623 5.093 4.470 -0.000 0.000 0.196 161 S C 0.529 175.222 174.600 0.154 0.000 0.911 161 S CA -0.025 58.278 58.200 0.171 0.000 1.133 161 S CB -0.166 63.221 63.200 0.312 0.000 1.612 161 S HN 1.829 nan 8.310 nan 0.000 0.437 162 A N 0.648 123.531 122.820 0.105 0.000 5.391 162 A HA -0.322 3.998 4.320 -0.000 0.000 0.315 162 A C 1.589 179.176 177.584 0.006 0.000 1.874 162 A CA 1.134 53.202 52.037 0.052 0.000 0.714 162 A CB -2.057 16.979 19.000 0.059 0.000 1.335 162 A HN 1.402 nan 8.150 nan 0.000 0.382 163 C N 0.418 119.688 119.300 -0.050 0.000 2.539 163 C HA 0.436 4.895 4.460 -0.000 0.000 0.271 163 C C 2.552 177.544 174.990 0.003 0.000 1.412 163 C CA 0.953 59.947 59.018 -0.039 0.000 1.729 163 C CB -1.761 25.948 27.740 -0.051 0.000 1.739 163 C HN 1.267 nan 8.230 nan 0.000 0.570 164 A N -0.384 122.455 122.820 0.033 0.000 2.390 164 A HA 0.136 4.455 4.320 -0.000 0.000 0.232 164 A C 1.883 179.475 177.584 0.013 0.000 1.233 164 A CA 0.711 52.730 52.037 -0.030 0.000 0.907 164 A CB -0.523 18.466 19.000 -0.017 0.000 0.967 164 A HN 0.417 nan 8.150 nan 0.000 0.512 165 T N 1.572 116.180 114.554 0.090 0.000 2.527 165 T HA -0.286 4.064 4.350 -0.000 0.000 0.258 165 T C 2.280 177.027 174.700 0.079 0.000 1.175 165 T CA 2.839 65.008 62.100 0.116 0.000 1.168 165 T CB -0.566 68.347 68.868 0.076 0.000 0.860 165 T HN 0.821 nan 8.240 nan 0.000 0.429 166 S N 1.603 117.312 115.700 0.015 0.000 2.447 166 S HA 0.137 4.607 4.470 -0.000 0.000 0.233 166 S C 2.292 176.862 174.600 -0.050 0.000 1.006 166 S CA 0.866 59.056 58.200 -0.016 0.000 0.957 166 S CB -0.478 62.697 63.200 -0.043 0.000 0.773 166 S HN 0.579 nan 8.310 nan 0.000 0.507 167 A N 1.817 124.588 122.820 -0.082 0.000 1.897 167 A HA -0.012 4.308 4.320 -0.000 0.000 0.215 167 A C 1.941 179.473 177.584 -0.086 0.000 1.181 167 A CA 1.387 53.348 52.037 -0.127 0.000 0.620 167 A CB -1.077 17.805 19.000 -0.197 0.000 0.821 167 A HN 0.688 nan 8.150 nan 0.000 0.443 168 H N -1.649 117.447 119.070 0.045 0.000 2.423 168 H HA -0.124 4.432 4.556 -0.000 0.000 0.297 168 H C 2.180 177.495 175.328 -0.021 0.000 1.075 168 H CA 1.201 57.298 56.048 0.082 0.000 1.342 168 H CB -0.153 29.689 29.762 0.134 0.000 1.395 168 H HN 0.538 nan 8.280 nan 0.000 0.530 169 C N 0.237 119.593 119.300 0.093 0.000 2.429 169 C HA -0.136 4.324 4.460 -0.000 0.000 0.277 169 C C 2.680 177.626 174.990 -0.072 0.000 1.262 169 C CA 0.778 59.813 59.018 0.028 0.000 1.733 169 C CB -0.794 26.956 27.740 0.016 0.000 2.010 169 C HN 0.533 nan 8.230 nan 0.000 0.483 170 I N 0.996 121.490 120.570 -0.125 0.000 2.226 170 I HA -0.109 4.061 4.170 -0.000 0.000 0.245 170 I C 2.728 178.646 176.117 -0.331 0.000 1.100 170 I CA 1.786 62.971 61.300 -0.192 0.000 1.374 170 I CB -0.946 36.947 38.000 -0.179 0.000 1.057 170 I HN 0.446 nan 8.210 nan 0.000 0.413 171 G N 0.739 109.187 108.800 -0.587 0.000 2.418 171 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.217 171 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.217 171 G C 1.460 175.943 174.900 -0.695 0.000 1.158 171 G CA 0.675 44.949 45.100 -1.377 0.000 0.771 171 G HN 0.340 nan 8.290 nan 0.000 0.545 172 N N 1.009 119.539 118.700 -0.284 0.000 2.244 172 N HA -0.083 4.657 4.740 -0.000 0.000 0.183 172 N C 2.562 178.041 175.510 -0.051 0.000 1.016 172 N CA 1.029 54.060 53.050 -0.032 0.000 0.866 172 N CB -0.130 38.417 38.487 0.101 0.000 0.980 172 N HN 0.329 nan 8.380 nan 0.000 0.430 173 A N 0.888 123.639 122.820 -0.116 0.000 1.898 173 A HA -0.061 4.259 4.320 -0.000 0.000 0.216 173 A C 2.503 180.020 177.584 -0.112 0.000 1.181 173 A CA 1.003 52.970 52.037 -0.117 0.000 0.620 173 A CB -0.660 18.254 19.000 -0.144 0.000 0.819 173 A HN 0.083 nan 8.150 nan 0.000 0.442 174 V N 0.213 120.042 119.914 -0.142 0.000 2.343 174 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 174 V C 2.378 178.449 176.094 -0.039 0.000 1.051 174 V CA 2.294 64.535 62.300 -0.099 0.000 1.036 174 V CB -0.855 30.899 31.823 -0.116 0.000 0.654 174 V HN 0.639 nan 8.190 nan 0.000 0.451 175 E N -0.543 119.648 120.200 -0.015 0.000 2.153 175 E HA -0.239 4.111 4.350 -0.000 0.000 0.194 175 E C 2.376 178.990 176.600 0.024 0.000 0.988 175 E CA 1.035 57.460 56.400 0.042 0.000 0.811 175 E CB -0.124 29.631 29.700 0.091 0.000 0.746 175 E HN 0.547 nan 8.360 nan 0.000 0.466 176 Q N 0.100 119.902 119.800 0.004 0.000 2.119 176 Q HA -0.128 4.212 4.340 -0.000 0.000 0.201 176 Q C 2.192 178.181 176.000 -0.020 0.000 0.972 176 Q CA 0.940 56.742 55.803 -0.001 0.000 0.847 176 Q CB -0.099 28.627 28.738 -0.020 0.000 0.903 176 Q HN 0.291 nan 8.270 nan 0.000 0.433 177 I N 0.930 121.478 120.570 -0.037 0.000 2.286 177 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 177 I C 2.332 178.439 176.117 -0.016 0.000 1.104 177 I CA 1.212 62.486 61.300 -0.042 0.000 1.397 177 I CB -0.362 37.603 38.000 -0.060 0.000 1.072 177 I HN 0.179 nan 8.210 nan 0.000 0.417 178 Q N -0.161 119.638 119.800 -0.002 0.000 2.124 178 Q HA -0.116 4.224 4.340 -0.000 0.000 0.202 178 Q C 2.167 178.176 176.000 0.015 0.000 0.977 178 Q CA 1.201 57.011 55.803 0.013 0.000 0.850 178 Q CB -0.240 28.515 28.738 0.030 0.000 0.901 178 Q HN 0.458 nan 8.270 nan 0.000 0.429 179 L N -0.327 120.906 121.223 0.017 0.000 2.551 179 L HA 0.016 4.355 4.340 -0.000 0.000 0.228 179 L C 1.185 178.062 176.870 0.012 0.000 1.153 179 L CA 0.494 55.345 54.840 0.019 0.000 0.851 179 L CB -0.371 41.703 42.059 0.025 0.000 0.959 179 L HN 0.466 nan 8.230 nan 0.000 0.451 180 G N 0.112 108.915 108.800 0.005 0.000 2.153 180 G HA2 -0.336 3.623 3.960 -0.000 0.000 0.252 180 G HA3 -0.336 3.623 3.960 -0.000 0.000 0.252 180 G C 1.008 175.907 174.900 -0.001 0.000 0.994 180 G CA 0.685 45.786 45.100 0.001 0.000 0.698 180 G HN 0.405 nan 8.290 nan 0.000 0.521 181 K N -0.924 119.475 120.400 -0.001 0.000 2.243 181 K HA 0.104 4.424 4.320 -0.000 0.000 0.201 181 K C 0.978 177.569 176.600 -0.014 0.000 1.051 181 K CA 0.774 57.062 56.287 0.001 0.000 0.970 181 K CB 0.079 32.587 32.500 0.013 0.000 0.755 181 K HN 0.423 nan 8.250 nan 0.000 0.465 182 Q N -0.248 119.530 119.800 -0.037 0.000 2.421 182 Q HA 0.148 4.488 4.340 -0.000 0.000 0.280 182 Q C -0.505 175.427 176.000 -0.113 0.000 1.085 182 Q CA -0.345 55.416 55.803 -0.071 0.000 0.807 182 Q CB 2.011 30.699 28.738 -0.083 0.000 1.405 182 Q HN -0.037 nan 8.270 nan 0.000 0.419 183 D N 0.270 120.562 120.400 -0.180 0.000 2.338 183 D HA 0.278 4.918 4.640 -0.000 0.000 0.208 183 D C 0.252 176.327 176.300 -0.375 0.000 0.997 183 D CA 0.783 54.602 54.000 -0.303 0.000 0.880 183 D CB 1.335 41.830 40.800 -0.508 0.000 0.980 183 D HN 0.361 nan 8.370 nan 0.000 0.509 184 I N 0.607 120.974 120.570 -0.338 0.000 2.656 184 I HA 0.257 4.427 4.170 -0.000 0.000 0.292 184 I C -1.274 174.623 176.117 -0.366 0.000 1.144 184 I CA -0.765 60.302 61.300 -0.389 0.000 1.038 184 I CB 3.383 41.102 38.000 -0.469 0.000 1.244 184 I HN -0.418 nan 8.210 nan 0.000 0.420 185 V N 5.721 125.386 119.914 -0.414 0.000 2.612 185 V HA 0.382 4.502 4.120 -0.000 0.000 0.301 185 V C -0.777 175.080 176.094 -0.394 0.000 1.059 185 V CA -0.587 61.519 62.300 -0.324 0.000 0.886 185 V CB 1.858 33.562 31.823 -0.199 0.000 1.007 185 V HN 0.384 nan 8.190 nan 0.000 0.426 186 F N 3.404 123.243 119.950 -0.185 0.000 2.438 186 F HA 0.671 5.198 4.527 -0.000 0.000 0.356 186 F C 0.760 176.451 175.800 -0.182 0.000 1.099 186 F CA 0.014 57.888 58.000 -0.211 0.000 1.185 186 F CB 1.126 39.959 39.000 -0.279 0.000 1.115 186 F HN 0.571 nan 8.300 nan 0.000 0.526 187 A N 2.623 125.426 122.820 -0.028 0.000 2.371 187 A HA 0.926 5.246 4.320 -0.000 0.000 0.311 187 A C -0.011 177.538 177.584 -0.058 0.000 1.068 187 A CA 0.108 52.109 52.037 -0.060 0.000 0.744 187 A CB 1.330 20.268 19.000 -0.102 0.000 1.239 187 A HN 0.993 nan 8.150 nan 0.000 0.435 188 G N -0.108 108.663 108.800 -0.048 0.000 2.498 188 G HA2 0.757 4.716 3.960 -0.000 0.000 0.181 188 G HA3 0.757 4.716 3.960 -0.000 0.000 0.181 188 G C -0.175 174.710 174.900 -0.025 0.000 1.169 188 G CA 0.395 45.465 45.100 -0.051 0.000 0.992 188 G HN 2.252 nan 8.290 nan 0.000 0.490 189 G N -2.210 106.582 108.800 -0.014 0.000 2.342 189 G HA2 0.788 4.748 3.960 -0.000 0.000 0.297 189 G HA3 0.788 4.748 3.960 -0.000 0.000 0.297 189 G C -0.591 174.331 174.900 0.037 0.000 1.313 189 G CA 0.617 45.726 45.100 0.015 0.000 0.830 189 G HN 2.052 nan 8.290 nan 0.000 0.506 190 G N -1.286 107.552 108.800 0.063 0.000 2.677 190 G HA2 0.697 4.657 3.960 -0.000 0.000 0.291 190 G HA3 0.697 4.657 3.960 -0.000 0.000 0.291 190 G C -1.953 173.013 174.900 0.111 0.000 1.435 190 G CA -0.272 44.897 45.100 0.114 0.000 0.826 190 G HN 0.744 nan 8.290 nan 0.000 0.491 191 E N -0.329 119.970 120.200 0.166 0.000 2.347 191 E HA 0.355 4.705 4.350 -0.000 0.000 0.285 191 E C -0.314 176.404 176.600 0.197 0.000 0.925 191 E CA -0.669 55.808 56.400 0.128 0.000 0.779 191 E CB 1.522 31.264 29.700 0.069 0.000 1.233 191 E HN 0.716 nan 8.360 nan 0.000 0.414 192 E N 3.020 123.300 120.200 0.134 0.000 2.345 192 E HA 0.451 4.801 4.350 -0.000 0.000 0.259 192 E C -0.774 175.884 176.600 0.097 0.000 1.117 192 E CA -0.864 55.615 56.400 0.131 0.000 0.913 192 E CB 1.203 30.936 29.700 0.053 0.000 1.057 192 E HN 0.245 nan 8.360 nan 0.000 0.432 193 L N 2.149 123.404 121.223 0.053 0.000 2.343 193 L HA 0.474 4.814 4.340 -0.000 0.000 0.278 193 L C -1.335 175.550 176.870 0.025 0.000 0.996 193 L CA -0.357 54.468 54.840 -0.026 0.000 0.831 193 L CB 0.896 42.788 42.059 -0.279 0.000 1.232 193 L HN 0.942 nan 8.230 nan 0.000 0.413 194 C N 2.140 121.528 119.300 0.147 0.000 3.284 194 C HA 0.404 4.864 4.460 -0.000 0.000 0.338 194 C C 1.040 176.149 174.990 0.198 0.000 1.237 194 C CA -0.989 58.132 59.018 0.172 0.000 1.276 194 C CB 0.528 28.240 27.740 -0.046 0.000 1.601 194 C HN 1.059 nan 8.230 nan 0.000 0.494 195 W N 1.027 122.453 121.300 0.210 0.000 2.374 195 W HA 0.003 4.663 4.660 -0.000 0.000 0.288 195 W C 1.042 177.633 176.519 0.120 0.000 1.218 195 W CA 1.893 59.324 57.345 0.144 0.000 1.245 195 W CB -1.063 28.442 29.460 0.076 0.000 1.126 195 W HN 0.884 nan 8.180 nan 0.000 0.545 196 E N 0.773 120.353 120.200 -1.033 0.000 2.114 196 E HA -0.269 4.081 4.350 -0.000 0.000 0.199 196 E C 2.342 178.767 176.600 -0.292 0.000 1.008 196 E CA 2.770 58.566 56.400 -1.007 0.000 0.810 196 E CB -0.672 28.499 29.700 -0.882 0.000 0.739 196 E HN 0.380 nan 8.360 nan 0.000 0.456 197 M N -0.800 118.738 119.600 -0.104 0.000 2.429 197 M HA 0.132 4.612 4.480 -0.000 0.000 0.265 197 M C 2.078 178.519 176.300 0.236 0.000 1.120 197 M CA 1.081 56.422 55.300 0.069 0.000 1.173 197 M CB 0.139 32.816 32.600 0.127 0.000 1.343 197 M HN 0.163 nan 8.290 nan 0.000 0.464 198 A N 0.639 123.627 122.820 0.281 0.000 1.940 198 A HA -0.233 4.086 4.320 -0.000 0.000 0.219 198 A C 2.331 180.109 177.584 0.324 0.000 1.176 198 A CA 1.852 54.112 52.037 0.371 0.000 0.631 198 A CB -1.730 17.466 19.000 0.327 0.000 0.814 198 A HN 0.871 nan 8.150 nan 0.000 0.446 199 C N -0.846 118.620 119.300 0.276 0.000 2.419 199 C HA -0.040 4.419 4.460 -0.000 0.000 0.281 199 C C 2.178 177.258 174.990 0.150 0.000 1.336 199 C CA 1.141 60.299 59.018 0.233 0.000 1.770 199 C CB -1.494 26.430 27.740 0.308 0.000 1.929 199 C HN 0.611 nan 8.230 nan 0.000 0.509 200 E N 0.592 120.843 120.200 0.086 0.000 2.106 200 E HA -0.028 4.322 4.350 -0.000 0.000 0.192 200 E C 1.737 178.278 176.600 -0.098 0.000 0.984 200 E CA 1.436 57.804 56.400 -0.053 0.000 0.806 200 E CB -0.341 29.250 29.700 -0.182 0.000 0.750 200 E HN 0.779 nan 8.360 nan 0.000 0.458 201 F N 0.612 120.634 119.950 0.119 0.000 2.206 201 F HA -0.104 4.423 4.527 -0.000 0.000 0.298 201 F C 2.162 177.990 175.800 0.047 0.000 1.090 201 F CA 1.036 59.108 58.000 0.119 0.000 1.323 201 F CB -0.205 38.856 39.000 0.101 0.000 1.028 201 F HN 0.003 nan 8.300 nan 0.000 0.492 202 D N 0.368 120.884 120.400 0.194 0.000 2.117 202 D HA -0.158 4.482 4.640 -0.000 0.000 0.197 202 D C 2.279 178.628 176.300 0.082 0.000 0.987 202 D CA 1.318 55.379 54.000 0.102 0.000 0.829 202 D CB -0.279 40.577 40.800 0.094 0.000 0.961 202 D HN 0.167 nan 8.370 nan 0.000 0.460 203 A N 0.008 122.875 122.820 0.078 0.000 2.076 203 A HA -0.138 4.182 4.320 -0.000 0.000 0.220 203 A C 2.295 179.907 177.584 0.047 0.000 1.160 203 A CA 1.185 53.253 52.037 0.052 0.000 0.653 203 A CB -0.515 18.509 19.000 0.040 0.000 0.801 203 A HN 0.315 nan 8.150 nan 0.000 0.455 204 M N -2.135 117.506 119.600 0.069 0.000 2.514 204 M HA 0.139 4.619 4.480 -0.000 0.000 0.258 204 M C 1.425 177.778 176.300 0.088 0.000 1.119 204 M CA 0.878 56.225 55.300 0.079 0.000 1.111 204 M CB 0.262 32.947 32.600 0.142 0.000 1.390 204 M HN 0.644 nan 8.290 nan 0.000 0.475 205 G N 0.220 109.070 108.800 0.083 0.000 2.136 205 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.242 205 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.242 205 G C 0.724 175.672 174.900 0.081 0.000 0.989 205 G CA 0.361 45.500 45.100 0.065 0.000 0.682 205 G HN 0.550 nan 8.290 nan 0.000 0.522 206 A N -0.771 122.119 122.820 0.117 0.000 2.132 206 A HA 0.658 4.978 4.320 -0.000 0.000 0.213 206 A C 1.247 178.721 177.584 -0.184 0.000 1.154 206 A CA 0.683 52.796 52.037 0.126 0.000 0.753 206 A CB 0.110 19.355 19.000 0.408 0.000 0.826 206 A HN 0.626 nan 8.150 nan 0.000 0.469 207 L N -0.046 121.037 121.223 -0.232 0.000 2.360 207 L HA 0.336 4.676 4.340 -0.000 0.000 0.271 207 L C 0.716 177.505 176.870 -0.134 0.000 1.057 207 L CA -0.573 54.054 54.840 -0.355 0.000 0.803 207 L CB 1.568 43.465 42.059 -0.269 0.000 1.207 207 L HN 0.164 nan 8.230 nan 0.000 0.445 208 S N 0.070 115.716 115.700 -0.090 0.000 2.531 208 S HA 0.150 4.620 4.470 -0.000 0.000 0.279 208 S C 0.735 175.342 174.600 0.011 0.000 1.305 208 S CA 0.083 58.302 58.200 0.033 0.000 1.058 208 S CB 0.431 63.692 63.200 0.101 0.000 0.899 208 S HN 0.814 nan 8.310 nan 0.000 0.493 209 T N 1.745 116.301 114.554 0.004 0.000 3.016 209 T HA 0.329 4.679 4.350 -0.000 0.000 0.271 209 T C 0.874 175.507 174.700 -0.112 0.000 0.968 209 T CA -0.507 61.545 62.100 -0.080 0.000 0.891 209 T CB 0.071 68.881 68.868 -0.097 0.000 1.149 209 T HN 0.505 nan 8.240 nan 0.000 0.524 210 K N 0.847 121.174 120.400 -0.121 0.000 2.444 210 K HA 0.224 4.544 4.320 -0.000 0.000 0.193 210 K C -0.326 175.938 176.600 -0.561 0.000 1.024 210 K CA 0.345 56.419 56.287 -0.355 0.000 1.077 210 K CB -0.006 32.197 32.500 -0.496 0.000 0.833 210 K HN 0.572 nan 8.250 nan 0.000 0.517 211 Y N 0.177 120.471 120.300 -0.009 0.000 2.716 211 Y HA 0.230 4.780 4.550 -0.000 0.000 0.260 211 Y C 1.030 176.946 175.900 0.027 0.000 1.141 211 Y CA -0.617 57.489 58.100 0.010 0.000 1.168 211 Y CB 0.090 38.563 38.460 0.022 0.000 1.189 211 Y HN -0.047 nan 8.280 nan 0.000 0.549 212 N N 0.647 119.405 118.700 0.096 0.000 2.272 212 N HA -0.168 4.572 4.740 -0.000 0.000 0.185 212 N C 0.944 176.554 175.510 0.166 0.000 1.014 212 N CA 1.437 54.575 53.050 0.148 0.000 0.870 212 N CB 0.043 38.592 38.487 0.104 0.000 0.975 212 N HN 0.470 nan 8.380 nan 0.000 0.433 213 D N -0.076 120.378 120.400 0.090 0.000 2.312 213 D HA -0.032 4.608 4.640 -0.000 0.000 0.211 213 D C 0.460 176.797 176.300 0.061 0.000 0.964 213 D CA 0.872 54.897 54.000 0.042 0.000 0.877 213 D CB 0.120 40.927 40.800 0.010 0.000 0.924 213 D HN 0.339 nan 8.370 nan 0.000 0.515 214 T N -2.167 112.456 114.554 0.115 0.000 3.418 214 T HA 0.327 4.677 4.350 -0.000 0.000 0.315 214 T C -2.309 172.472 174.700 0.134 0.000 1.447 214 T CA -1.661 60.507 62.100 0.114 0.000 1.641 214 T CB 1.848 70.791 68.868 0.124 0.000 0.904 214 T HN -0.295 nan 8.240 nan 0.000 0.640 215 P HA -0.192 nan 4.420 nan 0.000 0.217 215 P C 1.388 178.748 177.300 0.100 0.000 1.158 215 P CA 1.421 64.609 63.100 0.146 0.000 0.887 215 P CB 0.137 31.942 31.700 0.176 0.000 0.792 216 E N -0.842 119.403 120.200 0.075 0.000 2.409 216 E HA -0.133 4.217 4.350 -0.000 0.000 0.198 216 E C 1.225 177.825 176.600 0.001 0.000 1.024 216 E CA 0.736 57.160 56.400 0.041 0.000 0.861 216 E CB -0.203 29.518 29.700 0.034 0.000 0.788 216 E HN 0.410 nan 8.360 nan 0.000 0.521 217 K N -0.508 119.882 120.400 -0.015 0.000 2.374 217 K HA 0.235 4.555 4.320 -0.000 0.000 0.202 217 K C 1.616 178.042 176.600 -0.289 0.000 1.040 217 K CA 0.194 56.412 56.287 -0.114 0.000 1.085 217 K CB 0.893 33.340 32.500 -0.087 0.000 0.873 217 K HN -0.036 nan 8.250 nan 0.000 0.539 218 A N 1.423 124.154 122.820 -0.148 0.000 1.877 218 A HA -0.077 4.242 4.320 -0.000 0.000 0.216 218 A C 1.426 178.916 177.584 -0.157 0.000 1.186 218 A CA 1.211 53.160 52.037 -0.146 0.000 0.620 218 A CB -0.164 18.885 19.000 0.082 0.000 0.822 218 A HN 0.173 nan 8.150 nan 0.000 0.443 219 S N 0.690 116.349 115.700 -0.068 0.000 2.422 219 S HA 0.396 4.866 4.470 -0.000 0.000 0.283 219 S C 0.322 174.868 174.600 -0.090 0.000 1.163 219 S CA -0.586 57.591 58.200 -0.039 0.000 1.054 219 S CB -0.169 63.036 63.200 0.009 0.000 0.967 219 S HN 0.480 nan 8.310 nan 0.000 0.499 220 R N 2.888 123.327 120.500 -0.102 0.000 2.638 220 R HA 0.195 4.535 4.340 -0.000 0.000 0.269 220 R C -0.691 175.558 176.300 -0.084 0.000 1.393 220 R CA -0.642 55.398 56.100 -0.099 0.000 1.531 220 R CB -0.906 29.305 30.300 -0.147 0.000 1.327 220 R HN 0.430 nan 8.270 nan 0.000 0.709 221 T N 2.012 116.476 114.554 -0.150 0.000 2.891 221 T HA -0.098 4.252 4.350 -0.000 0.000 0.296 221 T C -0.013 174.519 174.700 -0.280 0.000 1.025 221 T CA 0.962 62.858 62.100 -0.340 0.000 1.149 221 T CB -0.107 68.420 68.868 -0.569 0.000 1.007 221 T HN 0.538 nan 8.240 nan 0.000 0.528 222 Y N -1.436 118.883 120.300 0.031 0.000 4.894 222 Y HA -0.205 4.345 4.550 -0.000 0.000 0.270 222 Y C 0.705 176.623 175.900 0.030 0.000 0.930 222 Y CA 0.481 58.598 58.100 0.028 0.000 1.814 222 Y CB -2.267 36.206 38.460 0.022 0.000 1.235 222 Y HN 0.775 nan 8.280 nan 0.000 0.480 223 D N 0.440 120.919 120.400 0.132 0.000 2.350 223 D HA 0.580 5.220 4.640 -0.000 0.000 0.249 223 D C 1.249 177.609 176.300 0.100 0.000 1.119 223 D CA 0.761 54.831 54.000 0.116 0.000 0.886 223 D CB 1.316 42.166 40.800 0.085 0.000 1.195 223 D HN 0.257 nan 8.370 nan 0.000 0.437 224 A N 3.205 126.076 122.820 0.085 0.000 2.076 224 A HA -0.176 4.144 4.320 -0.000 0.000 0.220 224 A C 1.017 178.466 177.584 -0.225 0.000 1.160 224 A CA 1.368 53.368 52.037 -0.063 0.000 0.653 224 A CB -0.537 18.395 19.000 -0.114 0.000 0.801 224 A HN 0.755 nan 8.150 nan 0.000 0.455 225 H N -0.504 118.625 119.070 0.097 0.000 2.469 225 H HA 0.199 4.755 4.556 -0.000 0.000 0.286 225 H C 0.484 175.919 175.328 0.178 0.000 1.106 225 H CA -0.310 55.824 56.048 0.143 0.000 1.055 225 H CB 0.037 29.911 29.762 0.187 0.000 1.618 225 H HN 0.606 nan 8.280 nan 0.000 0.559 226 R N 1.257 121.855 120.500 0.163 0.000 2.694 226 R HA 0.076 4.415 4.340 -0.000 0.000 0.268 226 R C -0.492 175.909 176.300 0.168 0.000 1.061 226 R CA 0.181 56.359 56.100 0.129 0.000 1.133 226 R CB 0.516 30.855 30.300 0.064 0.000 1.020 226 R HN 0.213 nan 8.270 nan 0.000 0.475 227 D N 0.357 120.869 120.400 0.187 0.000 2.914 227 D HA 0.225 4.865 4.640 -0.000 0.000 0.349 227 D C -0.063 176.308 176.300 0.119 0.000 1.540 227 D CA 0.012 54.108 54.000 0.160 0.000 0.778 227 D CB 0.353 41.267 40.800 0.190 0.000 1.213 227 D HN 0.936 nan 8.370 nan 0.000 0.451 228 G N 0.441 109.311 108.800 0.118 0.000 2.484 228 G HA2 0.217 4.177 3.960 -0.000 0.000 0.685 228 G HA3 0.217 4.177 3.960 -0.000 0.000 0.685 228 G C -0.525 174.445 174.900 0.116 0.000 1.294 228 G CA -0.698 44.460 45.100 0.097 0.000 0.879 228 G HN 0.353 nan 8.290 nan 0.000 0.646 229 F N -0.373 119.623 119.950 0.077 0.000 2.375 229 F HA 0.811 5.338 4.527 -0.000 0.000 0.313 229 F C 0.316 176.148 175.800 0.055 0.000 1.176 229 F CA -1.381 56.653 58.000 0.057 0.000 1.142 229 F CB 1.103 40.150 39.000 0.079 0.000 1.275 229 F HN 0.409 nan 8.300 nan 0.000 0.544 230 V N 3.862 123.963 119.914 0.312 0.000 2.370 230 V HA 0.274 4.394 4.120 -0.000 0.000 0.283 230 V C 0.191 176.496 176.094 0.353 0.000 1.023 230 V CA -0.888 61.531 62.300 0.198 0.000 0.857 230 V CB 1.200 33.122 31.823 0.165 0.000 0.985 230 V HN 0.851 nan 8.190 nan 0.000 0.443 231 I N 4.508 125.232 120.570 0.256 0.000 2.634 231 I HA 0.559 4.729 4.170 -0.000 0.000 0.284 231 I C 0.461 176.705 176.117 0.212 0.000 1.124 231 I CA 0.467 61.932 61.300 0.275 0.000 1.417 231 I CB 0.916 39.028 38.000 0.186 0.000 1.396 231 I HN 0.818 nan 8.210 nan 0.000 0.571 232 A N 4.779 127.669 122.820 0.117 0.000 2.564 232 A HA 0.903 5.223 4.320 -0.000 0.000 0.288 232 A C -0.664 176.898 177.584 -0.035 0.000 1.164 232 A CA -0.168 51.882 52.037 0.023 0.000 0.712 232 A CB 1.374 20.394 19.000 0.034 0.000 1.303 232 A HN 0.827 nan 8.150 nan 0.000 0.418 233 G N -1.868 106.862 108.800 -0.117 0.000 2.680 233 G HA2 0.912 4.872 3.960 -0.000 0.000 0.290 233 G HA3 0.912 4.872 3.960 -0.000 0.000 0.290 233 G C -0.158 174.602 174.900 -0.234 0.000 1.355 233 G CA -0.175 44.866 45.100 -0.099 0.000 0.903 233 G HN 2.251 nan 8.290 nan 0.000 0.474 234 G N -1.966 106.685 108.800 -0.248 0.000 2.362 234 G HA2 0.641 4.601 3.960 -0.000 0.000 0.288 234 G HA3 0.641 4.601 3.960 -0.000 0.000 0.288 234 G C -0.406 174.443 174.900 -0.084 0.000 1.305 234 G CA 0.239 45.067 45.100 -0.453 0.000 0.910 234 G HN 1.916 nan 8.290 nan 0.000 0.518 235 G N -1.907 106.851 108.800 -0.070 0.000 2.684 235 G HA2 1.031 4.991 3.960 -0.000 0.000 0.290 235 G HA3 1.031 4.991 3.960 -0.000 0.000 0.290 235 G C -0.372 174.510 174.900 -0.030 0.000 1.425 235 G CA 0.250 45.369 45.100 0.032 0.000 0.822 235 G HN 2.071 nan 8.290 nan 0.000 0.482 236 G N -1.318 107.460 108.800 -0.037 0.000 2.703 236 G HA2 0.673 4.633 3.960 -0.000 0.000 0.294 236 G HA3 0.673 4.633 3.960 -0.000 0.000 0.294 236 G C -1.688 173.166 174.900 -0.077 0.000 1.451 236 G CA -0.564 44.488 45.100 -0.081 0.000 0.869 236 G HN 0.982 nan 8.290 nan 0.000 0.516 237 M N 0.912 120.457 119.600 -0.091 0.000 2.414 237 M HA 0.675 5.155 4.480 -0.000 0.000 0.287 237 M C -1.079 175.168 176.300 -0.088 0.000 1.181 237 M CA -0.649 54.601 55.300 -0.083 0.000 0.933 237 M CB 2.311 34.854 32.600 -0.095 0.000 1.732 237 M HN 1.247 nan 8.290 nan 0.000 0.486 238 V N 1.351 121.216 119.914 -0.081 0.000 3.001 238 V HA 0.921 5.041 4.120 -0.000 0.000 0.314 238 V C -1.278 174.763 176.094 -0.087 0.000 1.099 238 V CA -0.914 61.327 62.300 -0.099 0.000 0.989 238 V CB 1.929 33.668 31.823 -0.139 0.000 1.040 238 V HN 0.625 nan 8.190 nan 0.000 0.434 239 V N 3.006 122.853 119.914 -0.111 0.000 2.333 239 V HA 0.394 4.514 4.120 -0.000 0.000 0.274 239 V C 0.052 176.018 176.094 -0.214 0.000 1.028 239 V CA -0.379 61.783 62.300 -0.230 0.000 0.851 239 V CB 1.139 32.843 31.823 -0.198 0.000 1.000 239 V HN 0.728 nan 8.190 nan 0.000 0.456 240 V N 5.178 124.935 119.914 -0.261 0.000 2.383 240 V HA 0.465 4.585 4.120 -0.000 0.000 0.275 240 V C 0.078 176.038 176.094 -0.225 0.000 1.036 240 V CA -0.267 61.914 62.300 -0.199 0.000 0.889 240 V CB 1.318 33.033 31.823 -0.181 0.000 0.985 240 V HN 0.968 nan 8.190 nan 0.000 0.459 241 E N 2.855 122.959 120.200 -0.159 0.000 2.343 241 E HA 0.354 4.704 4.350 -0.000 0.000 0.270 241 E C -0.796 175.752 176.600 -0.087 0.000 0.895 241 E CA -0.756 55.554 56.400 -0.149 0.000 0.767 241 E CB 1.848 31.482 29.700 -0.110 0.000 1.248 241 E HN 0.678 nan 8.360 nan 0.000 0.440 242 E N 3.523 123.675 120.200 -0.079 0.000 2.360 242 E HA -0.023 4.327 4.350 -0.000 0.000 0.269 242 E C 0.811 177.422 176.600 0.018 0.000 1.022 242 E CA -0.115 56.269 56.400 -0.026 0.000 0.887 242 E CB 1.161 30.851 29.700 -0.017 0.000 0.990 242 E HN 0.625 nan 8.360 nan 0.000 0.426 243 L N 5.558 126.786 121.223 0.007 0.000 1.978 243 L HA -0.248 4.092 4.340 -0.000 0.000 0.218 243 L C 1.885 178.767 176.870 0.020 0.000 1.075 243 L CA 2.018 56.863 54.840 0.007 0.000 0.767 243 L CB -0.459 41.599 42.059 -0.002 0.000 0.890 243 L HN 0.556 nan 8.230 nan 0.000 0.434 244 E N -1.052 119.163 120.200 0.026 0.000 2.118 244 E HA -0.265 4.085 4.350 -0.000 0.000 0.195 244 E C 2.230 178.846 176.600 0.025 0.000 0.992 244 E CA 1.379 57.791 56.400 0.019 0.000 0.804 244 E CB -0.722 28.989 29.700 0.019 0.000 0.741 244 E HN 0.685 nan 8.360 nan 0.000 0.458 245 H N 0.504 119.559 119.070 -0.025 0.000 2.353 245 H HA -0.002 4.554 4.556 -0.000 0.000 0.300 245 H C 1.830 177.142 175.328 -0.027 0.000 1.090 245 H CA 1.712 57.745 56.048 -0.025 0.000 1.327 245 H CB 0.194 29.937 29.762 -0.032 0.000 1.383 245 H HN 0.129 nan 8.280 nan 0.000 0.508 246 A N 1.121 124.006 122.820 0.108 0.000 1.898 246 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 246 A C 2.865 180.440 177.584 -0.015 0.000 1.181 246 A CA 1.107 53.174 52.037 0.050 0.000 0.620 246 A CB -0.806 18.211 19.000 0.028 0.000 0.819 246 A HN 0.408 nan 8.150 nan 0.000 0.442 247 L N -0.780 120.430 121.223 -0.022 0.000 2.093 247 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 247 L C 3.018 179.858 176.870 -0.050 0.000 1.085 247 L CA 0.937 55.757 54.840 -0.033 0.000 0.755 247 L CB -0.517 41.527 42.059 -0.026 0.000 0.904 247 L HN 0.433 nan 8.230 nan 0.000 0.435 248 A N 0.943 123.717 122.820 -0.078 0.000 2.019 248 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 248 A C 2.190 179.709 177.584 -0.109 0.000 1.164 248 A CA 1.517 53.493 52.037 -0.102 0.000 0.644 248 A CB -0.462 18.450 19.000 -0.147 0.000 0.805 248 A HN 0.584 nan 8.150 nan 0.000 0.449 249 R N -1.501 118.931 120.500 -0.115 0.000 2.468 249 R HA 0.368 4.708 4.340 -0.000 0.000 0.280 249 R C 0.894 177.172 176.300 -0.036 0.000 0.963 249 R CA 0.563 56.615 56.100 -0.081 0.000 1.083 249 R CB -0.600 29.646 30.300 -0.089 0.000 1.200 249 R HN 0.673 nan 8.270 nan 0.000 0.541 250 G N 0.927 109.708 108.800 -0.033 0.000 2.246 250 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.273 250 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.273 250 G C 0.322 175.221 174.900 -0.002 0.000 1.055 250 G CA 0.193 45.283 45.100 -0.017 0.000 0.851 250 G HN 0.716 nan 8.290 nan 0.000 0.500 251 A N -0.394 122.425 122.820 -0.003 0.000 2.425 251 A HA 0.545 4.864 4.320 -0.000 0.000 0.242 251 A C 0.436 178.027 177.584 0.011 0.000 1.077 251 A CA 0.430 52.476 52.037 0.015 0.000 0.781 251 A CB 0.264 19.271 19.000 0.012 0.000 1.020 251 A HN 1.422 nan 8.150 nan 0.000 0.494 252 H N 1.221 120.246 119.070 -0.074 0.000 2.782 252 H HA 0.494 5.050 4.556 -0.000 0.000 0.285 252 H C -0.655 174.575 175.328 -0.163 0.000 1.093 252 H CA -0.424 55.536 56.048 -0.147 0.000 1.410 252 H CB -0.088 29.549 29.762 -0.208 0.000 1.439 252 H HN 0.422 nan 8.280 nan 0.000 0.469 253 I N 7.042 127.275 120.570 -0.562 0.000 2.304 253 I HA 0.003 4.173 4.170 -0.000 0.000 0.291 253 I C 0.173 175.954 176.117 -0.561 0.000 1.018 253 I CA -0.379 60.677 61.300 -0.407 0.000 1.260 253 I CB 0.779 38.663 38.000 -0.193 0.000 1.390 253 I HN 0.747 nan 8.210 nan 0.000 0.475 254 Y N 5.258 125.333 120.300 -0.376 0.000 2.184 254 Y HA 0.173 4.723 4.550 -0.000 0.000 0.290 254 Y C 1.255 177.066 175.900 -0.147 0.000 1.129 254 Y CA 1.058 59.012 58.100 -0.244 0.000 1.144 254 Y CB 0.164 38.555 38.460 -0.116 0.000 0.995 254 Y HN 0.680 nan 8.280 nan 0.000 0.513 255 A N -0.870 121.983 122.820 0.054 0.000 2.544 255 A HA 0.383 4.703 4.320 -0.000 0.000 0.291 255 A C -1.487 176.095 177.584 -0.003 0.000 1.055 255 A CA -0.845 51.200 52.037 0.014 0.000 0.651 255 A CB 0.610 19.628 19.000 0.031 0.000 1.296 255 A HN 0.063 nan 8.150 nan 0.000 0.431 256 E N 0.426 120.622 120.200 -0.008 0.000 2.204 256 E HA 0.603 4.953 4.350 -0.000 0.000 0.276 256 E C -1.109 175.488 176.600 -0.005 0.000 0.974 256 E CA -0.602 55.791 56.400 -0.011 0.000 0.815 256 E CB 0.876 30.571 29.700 -0.009 0.000 1.119 256 E HN 0.484 nan 8.360 nan 0.000 0.393 257 I N 5.852 126.416 120.570 -0.010 0.000 2.281 257 I HA 0.032 4.202 4.170 -0.000 0.000 0.293 257 I C 1.082 177.210 176.117 0.018 0.000 1.085 257 I CA -0.291 61.008 61.300 -0.002 0.000 1.257 257 I CB 0.810 38.796 38.000 -0.023 0.000 1.430 257 I HN 0.487 nan 8.210 nan 0.000 0.489 258 V N 2.553 122.483 119.914 0.028 0.000 3.650 258 V HA 0.466 4.585 4.120 -0.000 0.000 0.271 258 V C 0.742 176.870 176.094 0.056 0.000 1.281 258 V CA 0.205 62.526 62.300 0.034 0.000 1.120 258 V CB -0.159 31.679 31.823 0.024 0.000 0.856 258 V HN 0.689 nan 8.190 nan 0.000 0.443 259 G N -0.435 108.411 108.800 0.077 0.000 2.753 259 G HA2 0.539 4.499 3.960 -0.000 0.000 0.297 259 G HA3 0.539 4.499 3.960 -0.000 0.000 0.297 259 G C -2.271 172.736 174.900 0.178 0.000 1.430 259 G CA -0.559 44.605 45.100 0.107 0.000 1.040 259 G HN 0.337 nan 8.290 nan 0.000 0.530 260 Y N 1.407 121.726 120.300 0.030 0.000 2.330 260 Y HA 0.680 5.230 4.550 -0.000 0.000 0.324 260 Y C -0.180 175.748 175.900 0.046 0.000 1.093 260 Y CA -1.201 56.917 58.100 0.031 0.000 1.103 260 Y CB 1.733 40.212 38.460 0.032 0.000 1.183 260 Y HN 0.837 nan 8.280 nan 0.000 0.433 261 G N 3.075 111.746 108.800 -0.214 0.000 2.452 261 G HA2 0.760 4.720 3.960 -0.000 0.000 0.324 261 G HA3 0.760 4.720 3.960 -0.000 0.000 0.324 261 G C -1.692 172.995 174.900 -0.355 0.000 1.214 261 G CA -0.640 44.278 45.100 -0.302 0.000 0.947 261 G HN 1.168 nan 8.290 nan 0.000 0.478 262 A N 1.498 124.138 122.820 -0.301 0.000 2.476 262 A HA 0.825 5.144 4.320 -0.000 0.000 0.280 262 A C 0.004 177.585 177.584 -0.006 0.000 1.081 262 A CA -0.089 51.923 52.037 -0.041 0.000 0.753 262 A CB 1.106 20.076 19.000 -0.050 0.000 1.248 262 A HN 1.487 nan 8.150 nan 0.000 0.424 263 T N -1.404 113.191 114.554 0.068 0.000 2.742 263 T HA 0.875 5.225 4.350 -0.000 0.000 0.282 263 T C -0.160 174.573 174.700 0.056 0.000 1.025 263 T CA -0.528 61.589 62.100 0.029 0.000 1.020 263 T CB 1.765 70.634 68.868 0.002 0.000 1.317 263 T HN 1.327 nan 8.240 nan 0.000 0.538 264 S N -1.130 114.582 115.700 0.021 0.000 2.541 264 S HA 0.470 4.939 4.470 -0.000 0.000 0.280 264 S C -0.323 174.277 174.600 0.001 0.000 1.112 264 S CA -0.610 57.604 58.200 0.024 0.000 0.925 264 S CB 1.679 64.888 63.200 0.015 0.000 1.067 264 S HN 0.696 nan 8.310 nan 0.000 0.479 265 D N 2.548 122.949 120.400 0.002 0.000 2.162 265 D HA 0.177 4.817 4.640 -0.000 0.000 0.205 265 D C 1.440 177.733 176.300 -0.011 0.000 0.964 265 D CA 1.478 55.468 54.000 -0.017 0.000 0.847 265 D CB -0.491 40.298 40.800 -0.019 0.000 0.988 265 D HN 1.042 nan 8.370 nan 0.000 0.480 266 G N 0.236 109.036 108.800 -0.000 0.000 2.323 266 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.292 266 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.292 266 G C 0.631 175.528 174.900 -0.006 0.000 1.040 266 G CA 0.899 45.997 45.100 -0.002 0.000 0.942 266 G HN 0.610 nan 8.290 nan 0.000 0.506 267 A N -0.855 121.962 122.820 -0.005 0.000 1.795 267 A HA 0.687 5.007 4.320 -0.000 0.000 0.182 267 A C 0.467 178.046 177.584 -0.008 0.000 2.073 267 A CA 1.087 53.119 52.037 -0.009 0.000 1.402 267 A CB 0.280 19.272 19.000 -0.013 0.000 0.977 267 A HN 0.533 nan 8.150 nan 0.000 0.648 268 D N -1.221 119.174 120.400 -0.008 0.000 2.181 268 D HA 0.476 5.116 4.640 -0.000 0.000 0.248 268 D C 1.077 177.366 176.300 -0.018 0.000 1.020 268 D CA -0.491 53.499 54.000 -0.016 0.000 0.891 268 D CB 0.838 41.626 40.800 -0.019 0.000 1.187 268 D HN 0.116 nan 8.370 nan 0.000 0.443 269 M N 2.139 121.713 119.600 -0.043 0.000 2.254 269 M HA -0.013 4.466 4.480 -0.000 0.000 0.265 269 M C 1.336 177.551 176.300 -0.142 0.000 1.066 269 M CA 1.072 56.337 55.300 -0.059 0.000 1.123 269 M CB -0.228 32.328 32.600 -0.073 0.000 1.388 269 M HN 0.521 nan 8.290 nan 0.000 0.425 270 V N -4.265 115.513 119.914 -0.226 0.000 3.398 270 V HA 0.593 4.712 4.120 -0.000 0.000 0.298 270 V C 0.412 176.413 176.094 -0.155 0.000 1.496 270 V CA -0.140 61.865 62.300 -0.491 0.000 1.044 270 V CB -0.406 30.966 31.823 -0.751 0.000 0.880 270 V HN 0.119 nan 8.190 nan 0.000 0.443 271 A N 2.368 125.167 122.820 -0.034 0.000 2.343 271 A HA 0.913 5.233 4.320 -0.000 0.000 0.316 271 A C -2.873 174.739 177.584 0.048 0.000 1.104 271 A CA -1.828 50.233 52.037 0.040 0.000 0.768 271 A CB 1.143 20.154 19.000 0.018 0.000 1.213 271 A HN 0.244 nan 8.150 nan 0.000 0.456 272 P HA 0.123 nan 4.420 nan 0.000 0.275 272 P C 0.619 177.902 177.300 -0.028 0.000 1.227 272 P CA 0.003 63.103 63.100 0.001 0.000 0.781 272 P CB 1.493 33.183 31.700 -0.016 0.000 0.906 273 S N 1.286 116.950 115.700 -0.059 0.000 2.470 273 S HA 0.196 4.665 4.470 -0.000 0.000 0.222 273 S C 1.622 176.182 174.600 -0.067 0.000 1.024 273 S CA 0.778 58.949 58.200 -0.050 0.000 0.931 273 S CB -0.834 62.340 63.200 -0.045 0.000 0.791 273 S HN 0.722 nan 8.310 nan 0.000 0.513 274 G N 1.759 110.486 108.800 -0.122 0.000 2.383 274 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.229 274 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.229 274 G C 0.921 175.752 174.900 -0.116 0.000 1.089 274 G CA 0.550 45.574 45.100 -0.126 0.000 0.640 274 G HN 0.453 nan 8.290 nan 0.000 0.510 275 E N 1.590 121.739 120.200 -0.086 0.000 2.077 275 E HA -0.069 4.281 4.350 -0.000 0.000 0.193 275 E C 2.643 179.193 176.600 -0.083 0.000 0.989 275 E CA 2.199 58.557 56.400 -0.069 0.000 0.800 275 E CB -0.955 28.715 29.700 -0.050 0.000 0.746 275 E HN 0.634 nan 8.360 nan 0.000 0.452 276 G N 0.572 109.310 108.800 -0.103 0.000 2.422 276 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.218 276 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.218 276 G C 1.703 176.525 174.900 -0.131 0.000 1.140 276 G CA 1.102 46.142 45.100 -0.100 0.000 0.775 276 G HN 0.416 nan 8.290 nan 0.000 0.545 277 A N 0.226 122.901 122.820 -0.241 0.000 1.930 277 A HA 0.123 4.443 4.320 -0.000 0.000 0.217 277 A C 2.580 180.127 177.584 -0.062 0.000 1.175 277 A CA 1.636 53.510 52.037 -0.273 0.000 0.627 277 A CB -0.514 18.159 19.000 -0.545 0.000 0.815 277 A HN 0.227 nan 8.150 nan 0.000 0.443 278 V N 0.096 119.969 119.914 -0.069 0.000 2.295 278 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 278 V C 2.628 178.693 176.094 -0.049 0.000 1.049 278 V CA 2.290 64.561 62.300 -0.047 0.000 1.024 278 V CB -0.819 30.973 31.823 -0.052 0.000 0.648 278 V HN 0.522 nan 8.190 nan 0.000 0.447 279 R N -1.084 119.386 120.500 -0.050 0.000 2.092 279 R HA -0.161 4.178 4.340 -0.000 0.000 0.231 279 R C 2.391 178.669 176.300 -0.037 0.000 1.119 279 R CA 1.594 57.664 56.100 -0.050 0.000 0.970 279 R CB -0.814 29.455 30.300 -0.051 0.000 0.864 279 R HN 0.560 nan 8.270 nan 0.000 0.440 280 C N 0.659 119.954 119.300 -0.009 0.000 2.446 280 C HA -0.033 4.427 4.460 -0.000 0.000 0.277 280 C C 2.556 177.564 174.990 0.029 0.000 1.275 280 C CA 0.784 59.817 59.018 0.025 0.000 1.727 280 C CB -0.598 27.209 27.740 0.112 0.000 2.010 280 C HN 0.456 nan 8.230 nan 0.000 0.486 281 M N -0.038 119.587 119.600 0.041 0.000 2.200 281 M HA -0.104 4.375 4.480 -0.000 0.000 0.265 281 M C 2.275 178.549 176.300 -0.042 0.000 1.066 281 M CA 1.577 56.891 55.300 0.023 0.000 1.127 281 M CB -0.407 32.209 32.600 0.028 0.000 1.379 281 M HN 0.362 nan 8.290 nan 0.000 0.420 282 K N 0.163 120.523 120.400 -0.067 0.000 2.057 282 K HA -0.119 4.201 4.320 -0.000 0.000 0.206 282 K C 2.015 178.604 176.600 -0.018 0.000 1.050 282 K CA 1.310 57.555 56.287 -0.071 0.000 0.935 282 K CB -0.206 32.249 32.500 -0.075 0.000 0.715 282 K HN 0.330 nan 8.250 nan 0.000 0.439 283 M N 0.656 120.237 119.600 -0.031 0.000 2.108 283 M HA -0.187 4.293 4.480 -0.000 0.000 0.261 283 M C 2.104 178.415 176.300 0.018 0.000 1.066 283 M CA 1.828 57.108 55.300 -0.032 0.000 1.107 283 M CB -0.117 32.436 32.600 -0.077 0.000 1.356 283 M HN 0.172 nan 8.290 nan 0.000 0.406 284 A N 0.077 122.904 122.820 0.012 0.000 2.015 284 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 284 A C 1.921 179.541 177.584 0.060 0.000 1.163 284 A CA 1.506 53.570 52.037 0.044 0.000 0.646 284 A CB -0.584 18.449 19.000 0.054 0.000 0.806 284 A HN 0.653 nan 8.150 nan 0.000 0.448 285 M N -1.351 118.275 119.600 0.043 0.000 2.541 285 M HA 0.047 4.527 4.480 -0.000 0.000 0.252 285 M C 0.594 176.921 176.300 0.045 0.000 1.125 285 M CA 0.020 55.339 55.300 0.033 0.000 1.091 285 M CB -0.108 32.481 32.600 -0.019 0.000 1.420 285 M HN 0.495 nan 8.290 nan 0.000 0.486 286 H N 0.499 119.556 119.070 -0.023 0.000 3.107 286 H HA 0.192 4.748 4.556 -0.000 0.000 0.301 286 H C 1.119 176.444 175.328 -0.005 0.000 0.981 286 H CA 1.653 57.690 56.048 -0.019 0.000 1.443 286 H CB 0.175 29.924 29.762 -0.023 0.000 1.479 286 H HN 0.451 nan 8.280 nan 0.000 0.564 287 G N 3.051 111.603 108.800 -0.414 0.000 2.268 287 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.240 287 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.240 287 G C 0.068 174.899 174.900 -0.114 0.000 1.010 287 G CA 0.108 45.047 45.100 -0.270 0.000 0.618 287 G HN 0.700 nan 8.290 nan 0.000 0.516 288 V N 3.037 122.913 119.914 -0.063 0.000 2.421 288 V HA 0.331 4.451 4.120 -0.000 0.000 0.271 288 V C 1.235 177.315 176.094 -0.023 0.000 1.031 288 V CA 0.846 63.133 62.300 -0.021 0.000 1.032 288 V CB 1.010 32.840 31.823 0.012 0.000 1.009 288 V HN 0.562 nan 8.190 nan 0.000 0.477 289 D N 2.284 122.672 120.400 -0.020 0.000 2.336 289 D HA 0.004 4.644 4.640 -0.000 0.000 0.229 289 D C 0.749 177.051 176.300 0.002 0.000 1.061 289 D CA 0.146 54.137 54.000 -0.015 0.000 0.875 289 D CB -0.087 40.702 40.800 -0.019 0.000 0.904 289 D HN 0.622 nan 8.370 nan 0.000 0.525 290 T N -2.715 111.847 114.554 0.014 0.000 2.908 290 T HA 0.600 4.950 4.350 -0.000 0.000 0.290 290 T C -2.800 171.927 174.700 0.046 0.000 1.034 290 T CA -1.862 60.253 62.100 0.025 0.000 1.010 290 T CB 2.330 71.211 68.868 0.022 0.000 1.068 290 T HN -0.161 nan 8.240 nan 0.000 0.481 291 P HA 0.364 nan 4.420 nan 0.000 0.277 291 P C -0.473 176.872 177.300 0.075 0.000 1.240 291 P CA -0.709 62.440 63.100 0.081 0.000 0.798 291 P CB 0.627 32.365 31.700 0.063 0.000 0.979 292 I N 3.058 123.692 120.570 0.106 0.000 2.436 292 I HA 0.005 4.175 4.170 -0.000 0.000 0.289 292 I C 1.291 177.393 176.117 -0.026 0.000 1.083 292 I CA 0.390 61.718 61.300 0.046 0.000 1.372 292 I CB -0.094 37.939 38.000 0.054 0.000 1.408 292 I HN 0.328 nan 8.210 nan 0.000 0.516 293 D N 5.127 125.532 120.400 0.010 0.000 2.249 293 D HA -0.080 4.560 4.640 -0.000 0.000 0.205 293 D C 0.062 176.401 176.300 0.065 0.000 0.962 293 D CA 1.307 55.321 54.000 0.022 0.000 0.860 293 D CB 0.413 41.237 40.800 0.040 0.000 0.955 293 D HN 0.534 nan 8.370 nan 0.000 0.505 294 Y N 0.242 120.489 120.300 -0.087 0.000 2.513 294 Y HA 0.462 5.011 4.550 -0.000 0.000 0.340 294 Y C -2.074 173.771 175.900 -0.091 0.000 1.055 294 Y CA -1.160 56.881 58.100 -0.098 0.000 1.020 294 Y CB 1.360 39.763 38.460 -0.094 0.000 1.301 294 Y HN -0.229 nan 8.280 nan 0.000 0.453 295 L N 6.925 127.538 121.223 -1.017 0.000 2.376 295 L HA 0.512 4.852 4.340 -0.000 0.000 0.275 295 L C -1.283 174.963 176.870 -1.039 0.000 0.987 295 L CA -0.540 53.822 54.840 -0.796 0.000 0.828 295 L CB 1.107 42.913 42.059 -0.423 0.000 1.249 295 L HN 0.811 nan 8.230 nan 0.000 0.409 296 N N 3.664 121.922 118.700 -0.737 0.000 2.558 296 N HA 0.149 4.889 4.740 -0.000 0.000 0.233 296 N C -0.317 175.073 175.510 -0.200 0.000 1.038 296 N CA -0.201 52.641 53.050 -0.348 0.000 0.934 296 N CB 1.014 39.461 38.487 -0.066 0.000 1.175 296 N HN 0.756 nan 8.380 nan 0.000 0.512 297 S N 2.363 117.986 115.700 -0.128 0.000 2.617 297 S HA 0.022 4.491 4.470 -0.000 0.000 0.259 297 S C 1.255 175.775 174.600 -0.133 0.000 1.301 297 S CA -0.363 57.793 58.200 -0.073 0.000 0.984 297 S CB 1.298 64.551 63.200 0.088 0.000 0.954 297 S HN 0.626 nan 8.310 nan 0.000 0.572 298 E N 1.439 121.537 120.200 -0.169 0.000 2.072 298 E HA 0.067 4.417 4.350 -0.000 0.000 0.191 298 E C 1.359 177.847 176.600 -0.186 0.000 0.985 298 E CA 1.158 57.409 56.400 -0.249 0.000 0.801 298 E CB -1.309 28.241 29.700 -0.250 0.000 0.750 298 E HN 1.170 nan 8.360 nan 0.000 0.452 299 G N 0.966 109.701 108.800 -0.108 0.000 2.216 299 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.263 299 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.263 299 G C 0.619 175.379 174.900 -0.234 0.000 0.837 299 G CA 0.820 45.778 45.100 -0.236 0.000 1.227 299 G HN 0.358 nan 8.290 nan 0.000 0.407 300 T N -0.446 114.018 114.554 -0.149 0.000 2.951 300 T HA 0.121 4.471 4.350 -0.000 0.000 0.268 300 T C 1.657 176.364 174.700 0.012 0.000 1.073 300 T CA 1.507 63.548 62.100 -0.098 0.000 1.134 300 T CB 0.022 68.895 68.868 0.008 0.000 0.884 300 T HN 1.683 nan 8.240 nan 0.000 0.479 301 S N 0.905 116.583 115.700 -0.037 0.000 3.619 301 S HA -0.129 4.341 4.470 -0.000 0.000 0.287 301 S C 0.224 174.876 174.600 0.086 0.000 1.222 301 S CA 0.538 58.730 58.200 -0.013 0.000 0.821 301 S CB -1.986 61.220 63.200 0.011 0.000 0.985 301 S HN 0.892 nan 8.310 nan 0.000 0.611 302 T N -1.130 113.492 114.554 0.113 0.000 2.925 302 T HA 0.700 5.050 4.350 -0.000 0.000 0.285 302 T C -1.486 173.285 174.700 0.117 0.000 1.021 302 T CA -1.566 60.628 62.100 0.157 0.000 1.042 302 T CB 1.638 70.644 68.868 0.230 0.000 1.037 302 T HN -0.064 nan 8.240 nan 0.000 0.481 303 P HA -0.132 nan 4.420 nan 0.000 0.213 303 P C 1.649 179.004 177.300 0.092 0.000 1.170 303 P CA 0.765 63.919 63.100 0.090 0.000 0.902 303 P CB -0.055 31.694 31.700 0.080 0.000 0.789 304 V N -0.623 119.351 119.914 0.100 0.000 2.407 304 V HA -0.064 4.056 4.120 -0.000 0.000 0.245 304 V C 2.575 178.734 176.094 0.109 0.000 1.041 304 V CA 2.246 64.603 62.300 0.094 0.000 1.040 304 V CB -1.914 29.961 31.823 0.087 0.000 0.671 304 V HN 0.173 nan 8.190 nan 0.000 0.455 305 G N 0.246 109.128 108.800 0.135 0.000 2.491 305 G HA2 -0.298 3.661 3.960 -0.000 0.000 0.218 305 G HA3 -0.298 3.661 3.960 -0.000 0.000 0.218 305 G C 1.180 176.169 174.900 0.148 0.000 1.180 305 G CA 1.320 46.510 45.100 0.151 0.000 0.774 305 G HN 0.495 nan 8.290 nan 0.000 0.562 306 D N 0.110 120.587 120.400 0.128 0.000 2.116 306 D HA -0.144 4.496 4.640 -0.000 0.000 0.193 306 D C 2.920 179.356 176.300 0.228 0.000 0.998 306 D CA 1.832 55.931 54.000 0.164 0.000 0.836 306 D CB -0.644 40.222 40.800 0.110 0.000 0.951 306 D HN 0.358 nan 8.370 nan 0.000 0.449 307 V N -1.174 118.837 119.914 0.162 0.000 2.427 307 V HA -0.107 4.013 4.120 -0.000 0.000 0.248 307 V C 2.067 178.223 176.094 0.103 0.000 1.051 307 V CA 1.141 63.517 62.300 0.127 0.000 1.048 307 V CB -0.424 31.452 31.823 0.090 0.000 0.666 307 V HN -0.064 nan 8.190 nan 0.000 0.456 308 K N 0.730 121.187 120.400 0.094 0.000 2.057 308 K HA -0.198 4.122 4.320 -0.000 0.000 0.207 308 K C 2.266 178.907 176.600 0.069 0.000 1.049 308 K CA 2.207 58.530 56.287 0.061 0.000 0.931 308 K CB -0.389 32.136 32.500 0.041 0.000 0.714 308 K HN 0.812 nan 8.250 nan 0.000 0.440 309 E N 0.739 121.018 120.200 0.131 0.000 2.072 309 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 309 E C 2.146 178.843 176.600 0.161 0.000 0.985 309 E CA 0.641 57.153 56.400 0.187 0.000 0.801 309 E CB -0.015 29.879 29.700 0.324 0.000 0.750 309 E HN 0.160 nan 8.360 nan 0.000 0.452 310 L N 0.570 121.882 121.223 0.149 0.000 2.042 310 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 310 L C 2.732 179.641 176.870 0.065 0.000 1.076 310 L CA 1.215 56.106 54.840 0.085 0.000 0.749 310 L CB -0.546 41.543 42.059 0.050 0.000 0.893 310 L HN 0.253 nan 8.230 nan 0.000 0.432 311 A N -0.088 122.768 122.820 0.060 0.000 1.933 311 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 311 A C 2.528 180.139 177.584 0.044 0.000 1.175 311 A CA 1.690 53.752 52.037 0.042 0.000 0.628 311 A CB -0.657 18.362 19.000 0.031 0.000 0.814 311 A HN 0.411 nan 8.150 nan 0.000 0.444 312 A N 0.009 122.859 122.820 0.050 0.000 1.902 312 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 312 A C 2.101 179.736 177.584 0.085 0.000 1.181 312 A CA 1.484 53.546 52.037 0.042 0.000 0.623 312 A CB -0.608 18.407 19.000 0.024 0.000 0.818 312 A HN 0.496 nan 8.150 nan 0.000 0.443 313 I N -0.784 119.870 120.570 0.139 0.000 2.286 313 I HA -0.292 3.878 4.170 -0.000 0.000 0.248 313 I C 2.764 179.024 176.117 0.238 0.000 1.115 313 I CA 1.394 62.837 61.300 0.238 0.000 1.392 313 I CB -0.346 37.767 38.000 0.189 0.000 1.065 313 I HN 0.311 nan 8.210 nan 0.000 0.418 314 R N 0.421 120.997 120.500 0.127 0.000 2.081 314 R HA -0.223 4.117 4.340 -0.000 0.000 0.235 314 R C 2.241 178.589 176.300 0.080 0.000 1.131 314 R CA 1.647 57.806 56.100 0.099 0.000 0.960 314 R CB -0.355 29.976 30.300 0.052 0.000 0.856 314 R HN 0.279 nan 8.270 nan 0.000 0.436 315 E N 0.739 120.968 120.200 0.048 0.000 2.085 315 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 315 E C 1.814 178.398 176.600 -0.027 0.000 0.994 315 E CA 1.433 57.838 56.400 0.009 0.000 0.801 315 E CB -0.020 29.677 29.700 -0.005 0.000 0.743 315 E HN 0.070 nan 8.360 nan 0.000 0.453 316 V N -0.312 119.566 119.914 -0.060 0.000 2.283 316 V HA -0.163 3.957 4.120 -0.000 0.000 0.243 316 V C 1.893 177.778 176.094 -0.348 0.000 1.039 316 V CA 1.906 64.054 62.300 -0.253 0.000 1.016 316 V CB -0.551 31.015 31.823 -0.428 0.000 0.650 316 V HN 0.271 nan 8.190 nan 0.000 0.449 317 F N 0.209 120.160 119.950 0.002 0.000 2.754 317 F HA 0.436 4.963 4.527 -0.000 0.000 0.297 317 F C 1.920 177.718 175.800 -0.002 0.000 1.122 317 F CA 0.602 58.601 58.000 -0.001 0.000 1.400 317 F CB -0.705 38.291 39.000 -0.006 0.000 1.117 317 F HN 0.274 nan 8.300 nan 0.000 0.587 318 G N 1.792 110.671 108.800 0.132 0.000 2.672 318 G HA2 -0.459 3.501 3.960 -0.000 0.000 0.332 318 G HA3 -0.459 3.501 3.960 -0.000 0.000 0.332 318 G C 1.011 175.962 174.900 0.085 0.000 1.213 318 G CA 0.903 46.051 45.100 0.080 0.000 0.980 318 G HN 0.419 nan 8.290 nan 0.000 0.548 319 D N 0.837 121.277 120.400 0.067 0.000 2.339 319 D HA 0.129 4.769 4.640 -0.000 0.000 0.217 319 D C 0.995 177.329 176.300 0.057 0.000 1.050 319 D CA 0.677 54.707 54.000 0.050 0.000 0.856 319 D CB 0.196 41.016 40.800 0.033 0.000 0.922 319 D HN 0.379 nan 8.370 nan 0.000 0.518 320 K N 1.144 121.602 120.400 0.097 0.000 3.045 320 K HA 0.163 4.483 4.320 -0.000 0.000 0.214 320 K C -0.354 176.298 176.600 0.087 0.000 1.213 320 K CA -0.352 55.991 56.287 0.093 0.000 1.111 320 K CB 1.128 33.699 32.500 0.118 0.000 1.454 320 K HN 0.074 nan 8.250 nan 0.000 0.498 321 S N 0.803 116.508 115.700 0.008 0.000 2.549 321 S HA 0.391 4.861 4.470 -0.000 0.000 0.279 321 S C -1.633 172.807 174.600 -0.267 0.000 1.321 321 S CA -1.031 57.078 58.200 -0.152 0.000 1.054 321 S CB 0.348 63.494 63.200 -0.090 0.000 0.899 321 S HN 0.186 nan 8.310 nan 0.000 0.497 322 P HA 0.454 nan 4.420 nan 0.000 0.281 322 P C -0.618 176.543 177.300 -0.231 0.000 1.281 322 P CA -0.747 62.137 63.100 -0.359 0.000 0.811 322 P CB 0.748 32.133 31.700 -0.526 0.000 1.154 323 A N 0.892 123.644 122.820 -0.114 0.000 2.462 323 A HA 0.463 4.783 4.320 -0.000 0.000 0.243 323 A C 0.219 177.775 177.584 -0.046 0.000 1.076 323 A CA -0.001 52.023 52.037 -0.023 0.000 0.773 323 A CB -0.672 18.376 19.000 0.080 0.000 1.010 323 A HN 0.477 nan 8.150 nan 0.000 0.493 324 I N 1.158 121.713 120.570 -0.024 0.000 2.686 324 I HA 0.539 4.709 4.170 -0.000 0.000 0.295 324 I C -0.048 176.128 176.117 0.099 0.000 1.114 324 I CA -0.226 61.036 61.300 -0.064 0.000 1.038 324 I CB 2.655 40.580 38.000 -0.126 0.000 1.238 324 I HN 0.800 nan 8.210 nan 0.000 0.420 325 S N 3.439 119.239 115.700 0.167 0.000 2.537 325 S HA 0.849 5.319 4.470 -0.000 0.000 0.270 325 S C -1.149 173.569 174.600 0.197 0.000 1.142 325 S CA -0.800 57.541 58.200 0.237 0.000 0.870 325 S CB 1.981 65.343 63.200 0.270 0.000 1.112 325 S HN 0.810 nan 8.310 nan 0.000 0.466 326 A N 1.979 124.898 122.820 0.165 0.000 2.316 326 A HA 0.605 4.924 4.320 -0.000 0.000 0.324 326 A C 1.120 178.705 177.584 0.002 0.000 1.375 326 A CA -0.209 51.852 52.037 0.040 0.000 0.882 326 A CB -0.103 18.832 19.000 -0.108 0.000 1.152 326 A HN 1.376 nan 8.150 nan 0.000 0.512 327 T N -0.089 114.472 114.554 0.011 0.000 3.051 327 T HA -0.101 4.249 4.350 -0.000 0.000 0.269 327 T C 1.332 175.989 174.700 -0.072 0.000 1.127 327 T CA 1.294 63.366 62.100 -0.046 0.000 1.107 327 T CB -0.315 68.512 68.868 -0.068 0.000 0.898 327 T HN 0.625 nan 8.240 nan 0.000 0.517 328 K N 1.106 121.464 120.400 -0.070 0.000 2.283 328 K HA 0.184 4.504 4.320 -0.000 0.000 0.202 328 K C 2.597 179.162 176.600 -0.058 0.000 1.048 328 K CA 0.845 57.084 56.287 -0.079 0.000 0.948 328 K CB -0.323 32.089 32.500 -0.147 0.000 0.742 328 K HN 0.486 nan 8.250 nan 0.000 0.458 329 A N 0.840 123.621 122.820 -0.067 0.000 2.019 329 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 329 A C 1.972 179.533 177.584 -0.040 0.000 1.164 329 A CA 1.329 53.334 52.037 -0.054 0.000 0.644 329 A CB -0.244 18.726 19.000 -0.051 0.000 0.805 329 A HN 0.192 nan 8.150 nan 0.000 0.449 330 M N -1.386 118.183 119.600 -0.052 0.000 2.557 330 M HA -0.032 4.448 4.480 -0.000 0.000 0.262 330 M C 2.353 178.626 176.300 -0.045 0.000 1.168 330 M CA 1.649 56.916 55.300 -0.056 0.000 1.194 330 M CB -0.089 32.453 32.600 -0.097 0.000 1.311 330 M HN 0.577 nan 8.290 nan 0.000 0.489 331 T N -2.150 112.371 114.554 -0.054 0.000 3.044 331 T HA 0.414 4.764 4.350 -0.000 0.000 0.255 331 T C 1.071 175.786 174.700 0.026 0.000 1.073 331 T CA 0.529 62.617 62.100 -0.019 0.000 1.125 331 T CB -0.078 68.788 68.868 -0.003 0.000 0.908 331 T HN 0.555 nan 8.240 nan 0.000 0.480 332 G N 0.943 109.764 108.800 0.035 0.000 2.728 332 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.294 332 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.294 332 G C -0.966 173.988 174.900 0.089 0.000 1.342 332 G CA -0.369 44.786 45.100 0.092 0.000 0.866 332 G HN 0.773 nan 8.290 nan 0.000 0.534 333 H N 0.863 119.943 119.070 0.017 0.000 2.641 333 H HA 0.591 5.146 4.556 -0.000 0.000 0.295 333 H C 1.627 176.880 175.328 -0.125 0.000 1.070 333 H CA 0.036 56.005 56.048 -0.131 0.000 1.257 333 H CB 0.778 30.297 29.762 -0.405 0.000 1.393 333 H HN 0.817 nan 8.280 nan 0.000 0.464 334 S N 4.827 120.645 115.700 0.196 0.000 2.754 334 S HA 0.095 4.565 4.470 -0.000 0.000 0.223 334 S C 1.419 176.023 174.600 0.006 0.000 0.951 334 S CA -0.022 58.213 58.200 0.057 0.000 0.954 334 S CB -0.529 62.681 63.200 0.017 0.000 0.780 334 S HN 0.718 nan 8.310 nan 0.000 0.509 335 L N -0.028 121.152 121.223 -0.071 0.000 4.638 335 L HA -0.363 3.976 4.340 -0.000 0.000 0.053 335 L C 2.303 179.135 176.870 -0.062 0.000 3.458 335 L CA 1.557 56.224 54.840 -0.289 0.000 1.370 335 L CB -2.083 39.786 42.059 -0.317 0.000 3.074 335 L HN 0.446 nan 8.230 nan 0.000 0.881 336 G N -1.136 107.641 108.800 -0.039 0.000 2.448 336 G HA2 0.031 3.990 3.960 -0.000 0.000 0.219 336 G HA3 0.031 3.990 3.960 -0.000 0.000 0.219 336 G C 1.255 176.156 174.900 0.003 0.000 1.127 336 G CA 1.260 46.361 45.100 0.002 0.000 0.766 336 G HN 0.843 nan 8.290 nan 0.000 0.552 337 A N 0.270 123.090 122.820 -0.001 0.000 2.238 337 A HA 0.663 4.983 4.320 -0.000 0.000 0.210 337 A C 2.514 180.066 177.584 -0.053 0.000 1.179 337 A CA 1.232 53.258 52.037 -0.019 0.000 0.827 337 A CB -0.181 18.816 19.000 -0.005 0.000 0.856 337 A HN 0.520 nan 8.150 nan 0.000 0.488 338 A N 0.134 122.937 122.820 -0.029 0.000 1.908 338 A HA 0.074 4.394 4.320 -0.000 0.000 0.218 338 A C 2.323 179.827 177.584 -0.133 0.000 1.181 338 A CA 1.916 53.914 52.037 -0.066 0.000 0.627 338 A CB -1.249 17.731 19.000 -0.033 0.000 0.818 338 A HN 0.673 nan 8.150 nan 0.000 0.445 339 G N -0.890 107.839 108.800 -0.118 0.000 2.446 339 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.217 339 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.217 339 G C 1.654 176.454 174.900 -0.167 0.000 1.168 339 G CA 1.338 46.350 45.100 -0.145 0.000 0.771 339 G HN 0.585 nan 8.290 nan 0.000 0.551 340 V N 0.104 119.925 119.914 -0.156 0.000 2.453 340 V HA -0.096 4.024 4.120 -0.000 0.000 0.247 340 V C 2.736 178.667 176.094 -0.272 0.000 1.048 340 V CA 2.397 64.590 62.300 -0.179 0.000 1.049 340 V CB -0.225 31.518 31.823 -0.134 0.000 0.672 340 V HN 0.509 nan 8.190 nan 0.000 0.457 341 Q N -0.416 119.193 119.800 -0.319 0.000 2.084 341 Q HA -0.249 4.091 4.340 -0.000 0.000 0.202 341 Q C 2.148 177.552 176.000 -0.992 0.000 0.978 341 Q CA 2.122 57.577 55.803 -0.581 0.000 0.844 341 Q CB -0.126 28.349 28.738 -0.437 0.000 0.898 341 Q HN 0.705 nan 8.270 nan 0.000 0.426 342 E N 0.288 120.149 120.200 -0.565 0.000 2.208 342 E HA -0.096 4.254 4.350 -0.000 0.000 0.193 342 E C 1.824 178.286 176.600 -0.231 0.000 0.988 342 E CA 0.684 56.878 56.400 -0.344 0.000 0.828 342 E CB 0.018 29.648 29.700 -0.118 0.000 0.763 342 E HN 0.335 nan 8.360 nan 0.000 0.478 343 A N 0.796 123.470 122.820 -0.243 0.000 1.930 343 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 343 A C 2.091 179.567 177.584 -0.180 0.000 1.175 343 A CA 0.832 52.770 52.037 -0.166 0.000 0.627 343 A CB -0.364 18.540 19.000 -0.161 0.000 0.815 343 A HN 0.146 nan 8.150 nan 0.000 0.443 344 I N -1.468 118.932 120.570 -0.284 0.000 2.315 344 I HA -0.232 3.938 4.170 -0.000 0.000 0.248 344 I C 2.198 178.250 176.117 -0.108 0.000 1.117 344 I CA 1.070 62.221 61.300 -0.249 0.000 1.404 344 I CB -0.369 37.453 38.000 -0.298 0.000 1.071 344 I HN 0.367 nan 8.210 nan 0.000 0.419 345 Y N 0.698 120.972 120.300 -0.044 0.000 2.224 345 Y HA -0.180 4.369 4.550 -0.000 0.000 0.289 345 Y C 2.911 178.785 175.900 -0.043 0.000 1.146 345 Y CA 0.747 58.832 58.100 -0.025 0.000 1.182 345 Y CB -1.314 37.138 38.460 -0.015 0.000 0.983 345 Y HN 0.094 nan 8.280 nan 0.000 0.524 346 S N -0.007 115.765 115.700 0.120 0.000 2.383 346 S HA -0.107 4.362 4.470 -0.000 0.000 0.227 346 S C 2.115 176.730 174.600 0.025 0.000 1.026 346 S CA 0.992 59.251 58.200 0.099 0.000 0.981 346 S CB -0.522 62.744 63.200 0.110 0.000 0.818 346 S HN 0.358 nan 8.310 nan 0.000 0.472 347 L N 0.888 122.108 121.223 -0.006 0.000 2.156 347 L HA 0.002 4.342 4.340 -0.000 0.000 0.208 347 L C 2.121 179.031 176.870 0.066 0.000 1.095 347 L CA 0.802 55.634 54.840 -0.012 0.000 0.770 347 L CB -0.475 41.497 42.059 -0.145 0.000 0.914 347 L HN 0.286 nan 8.230 nan 0.000 0.439 348 L N -1.045 120.239 121.223 0.101 0.000 2.093 348 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 348 L C 2.615 179.641 176.870 0.260 0.000 1.085 348 L CA 1.211 56.227 54.840 0.292 0.000 0.755 348 L CB -0.309 41.935 42.059 0.309 0.000 0.904 348 L HN 0.310 nan 8.230 nan 0.000 0.435 349 M N -0.815 118.722 119.600 -0.105 0.000 2.132 349 M HA -0.220 4.260 4.480 -0.000 0.000 0.263 349 M C 2.294 178.474 176.300 -0.199 0.000 1.065 349 M CA 1.563 56.528 55.300 -0.558 0.000 1.122 349 M CB -0.269 31.835 32.600 -0.827 0.000 1.365 349 M HN 0.207 nan 8.290 nan 0.000 0.411 350 L N 0.618 121.797 121.223 -0.072 0.000 2.027 350 L HA -0.175 4.165 4.340 -0.000 0.000 0.206 350 L C 2.256 179.144 176.870 0.030 0.000 1.074 350 L CA 2.031 56.866 54.840 -0.008 0.000 0.745 350 L CB -0.587 41.487 42.059 0.023 0.000 0.898 350 L HN 0.214 nan 8.230 nan 0.000 0.433 351 E N -1.232 119.008 120.200 0.066 0.000 2.110 351 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 351 E C 1.820 178.315 176.600 -0.176 0.000 0.988 351 E CA 1.594 57.982 56.400 -0.019 0.000 0.804 351 E CB -0.124 29.611 29.700 0.059 0.000 0.745 351 E HN 0.644 nan 8.360 nan 0.000 0.458 352 H N -1.269 117.918 119.070 0.196 0.000 2.586 352 H HA 0.277 4.833 4.556 -0.000 0.000 0.273 352 H C 0.524 176.000 175.328 0.248 0.000 0.997 352 H CA 0.536 56.723 56.048 0.231 0.000 1.177 352 H CB 0.556 30.508 29.762 0.316 0.000 1.471 352 H HN 0.261 nan 8.280 nan 0.000 0.538 353 G N 2.051 110.988 108.800 0.229 0.000 2.374 353 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.289 353 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.289 353 G C -0.286 174.759 174.900 0.241 0.000 1.004 353 G CA 0.722 45.913 45.100 0.152 0.000 1.292 353 G HN 0.523 nan 8.290 nan 0.000 0.502 354 F N -1.427 118.507 119.950 -0.027 0.000 2.744 354 F HA 0.777 5.304 4.527 -0.000 0.000 0.311 354 F C -1.050 174.653 175.800 -0.162 0.000 1.144 354 F CA -2.154 55.807 58.000 -0.066 0.000 0.938 354 F CB 1.063 40.039 39.000 -0.041 0.000 1.292 354 F HN 0.110 nan 8.300 nan 0.000 0.444 355 I N 2.890 123.303 120.570 -0.262 0.000 2.389 355 I HA 0.633 4.803 4.170 -0.000 0.000 0.288 355 I C 0.128 176.124 176.117 -0.201 0.000 0.999 355 I CA -1.091 59.904 61.300 -0.508 0.000 1.129 355 I CB 1.697 39.509 38.000 -0.313 0.000 1.288 355 I HN 0.973 nan 8.210 nan 0.000 0.444 356 A N 9.213 131.839 122.820 -0.323 0.000 2.425 356 A HA 0.498 4.818 4.320 -0.000 0.000 0.249 356 A C -2.342 175.246 177.584 0.007 0.000 1.084 356 A CA -1.055 50.987 52.037 0.008 0.000 0.781 356 A CB -0.290 18.692 19.000 -0.029 0.000 1.019 356 A HN 0.428 nan 8.150 nan 0.000 0.490 357 P HA 0.129 nan 4.420 nan 0.000 0.278 357 P C -0.374 176.953 177.300 0.045 0.000 1.238 357 P CA -0.209 62.917 63.100 0.043 0.000 0.794 357 P CB 1.246 32.966 31.700 0.034 0.000 0.955 358 S N 2.782 118.524 115.700 0.069 0.000 2.592 358 S HA 0.349 4.819 4.470 -0.000 0.000 0.305 358 S C 0.687 175.322 174.600 0.058 0.000 1.118 358 S CA -0.839 57.411 58.200 0.083 0.000 1.075 358 S CB -1.443 61.854 63.200 0.161 0.000 1.107 358 S HN 0.340 nan 8.310 nan 0.000 0.503 359 I N 1.797 122.382 120.570 0.024 0.000 3.211 359 I HA 0.408 4.578 4.170 -0.000 0.000 0.297 359 I C 0.535 176.654 176.117 0.003 0.000 1.095 359 I CA -0.401 60.906 61.300 0.011 0.000 1.239 359 I CB 0.085 38.081 38.000 -0.006 0.000 1.455 359 I HN 0.755 nan 8.210 nan 0.000 0.630 360 N N 0.337 119.033 118.700 -0.006 0.000 2.741 360 N HA -0.166 4.574 4.740 -0.000 0.000 0.250 360 N C -0.696 174.813 175.510 -0.001 0.000 1.115 360 N CA 0.403 53.438 53.050 -0.024 0.000 0.724 360 N CB -1.291 37.156 38.487 -0.066 0.000 1.090 360 N HN 0.485 nan 8.380 nan 0.000 0.558 361 I N 1.154 121.742 120.570 0.031 0.000 2.268 361 I HA 0.059 4.229 4.170 -0.000 0.000 0.290 361 I C 1.237 177.387 176.117 0.055 0.000 1.125 361 I CA -0.090 61.246 61.300 0.060 0.000 1.236 361 I CB 0.533 38.585 38.000 0.088 0.000 1.469 361 I HN 0.172 nan 8.210 nan 0.000 0.512 362 E N 3.795 124.029 120.200 0.057 0.000 2.170 362 E HA -0.049 4.301 4.350 -0.000 0.000 0.191 362 E C 0.560 177.206 176.600 0.076 0.000 0.981 362 E CA 0.621 57.054 56.400 0.055 0.000 0.830 362 E CB 0.465 30.190 29.700 0.043 0.000 0.775 362 E HN 0.536 nan 8.360 nan 0.000 0.470 363 E N 1.219 121.486 120.200 0.112 0.000 2.409 363 E HA 0.155 4.504 4.350 -0.000 0.000 0.259 363 E C -1.388 175.276 176.600 0.106 0.000 0.932 363 E CA -0.574 55.897 56.400 0.118 0.000 0.809 363 E CB 0.993 30.802 29.700 0.182 0.000 1.341 363 E HN -0.078 nan 8.360 nan 0.000 0.405 364 L N 4.119 125.389 121.223 0.079 0.000 2.499 364 L HA 0.104 4.444 4.340 -0.000 0.000 0.273 364 L C 0.218 177.125 176.870 0.062 0.000 1.195 364 L CA 0.603 55.487 54.840 0.073 0.000 0.882 364 L CB 0.663 42.748 42.059 0.043 0.000 1.133 364 L HN 0.600 nan 8.230 nan 0.000 0.483 365 D N 3.528 123.974 120.400 0.077 0.000 2.443 365 D HA -0.074 4.566 4.640 -0.000 0.000 0.239 365 D C 0.904 177.224 176.300 0.034 0.000 1.136 365 D CA 0.403 54.437 54.000 0.058 0.000 0.879 365 D CB 0.922 41.776 40.800 0.090 0.000 1.195 365 D HN 0.808 nan 8.370 nan 0.000 0.443 366 E N 2.152 122.366 120.200 0.023 0.000 2.267 366 E HA -0.245 4.105 4.350 -0.000 0.000 0.197 366 E C 0.934 177.541 176.600 0.011 0.000 0.998 366 E CA 0.962 57.371 56.400 0.015 0.000 0.830 366 E CB -0.124 29.584 29.700 0.013 0.000 0.751 366 E HN 0.554 nan 8.360 nan 0.000 0.491 367 Q N -0.063 119.749 119.800 0.019 0.000 2.415 367 Q HA 0.170 4.510 4.340 -0.000 0.000 0.206 367 Q C 1.188 177.185 176.000 -0.005 0.000 0.946 367 Q CA 0.532 56.345 55.803 0.016 0.000 0.951 367 Q CB 0.603 29.362 28.738 0.034 0.000 1.026 367 Q HN 0.414 nan 8.270 nan 0.000 0.510 368 A N 0.208 123.013 122.820 -0.025 0.000 2.431 368 A HA 0.463 4.783 4.320 -0.000 0.000 0.239 368 A C 0.826 178.360 177.584 -0.083 0.000 1.230 368 A CA -0.126 51.853 52.037 -0.097 0.000 0.928 368 A CB 0.376 19.282 19.000 -0.158 0.000 1.006 368 A HN 0.248 nan 8.150 nan 0.000 0.520 369 A N -0.940 121.856 122.820 -0.041 0.000 2.483 369 A HA 0.461 4.781 4.320 -0.000 0.000 0.238 369 A C 1.634 179.199 177.584 -0.033 0.000 1.070 369 A CA 0.694 52.713 52.037 -0.030 0.000 0.770 369 A CB -0.415 18.577 19.000 -0.012 0.000 1.008 369 A HN 1.915 nan 8.150 nan 0.000 0.497 370 G N 0.391 109.173 108.800 -0.031 0.000 2.225 370 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.254 370 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.254 370 G C 0.120 174.996 174.900 -0.040 0.000 0.988 370 G CA 0.442 45.526 45.100 -0.027 0.000 0.625 370 G HN 0.799 nan 8.290 nan 0.000 0.527 371 L N 0.471 121.655 121.223 -0.064 0.000 2.360 371 L HA 0.504 4.844 4.340 -0.000 0.000 0.271 371 L C 0.439 177.257 176.870 -0.087 0.000 1.057 371 L CA -1.021 53.766 54.840 -0.088 0.000 0.803 371 L CB 1.359 43.338 42.059 -0.133 0.000 1.207 371 L HN 0.130 nan 8.230 nan 0.000 0.445 372 N N 3.028 121.678 118.700 -0.084 0.000 2.868 372 N HA 0.164 4.904 4.740 -0.000 0.000 0.252 372 N C -0.822 174.652 175.510 -0.061 0.000 1.130 372 N CA -0.319 52.695 53.050 -0.060 0.000 1.026 372 N CB 0.074 38.534 38.487 -0.045 0.000 1.335 372 N HN 0.295 nan 8.380 nan 0.000 0.516 373 I N 3.596 124.123 120.570 -0.070 0.000 2.322 373 I HA 0.124 4.294 4.170 -0.000 0.000 0.292 373 I C 0.142 176.264 176.117 0.009 0.000 1.060 373 I CA -0.688 60.580 61.300 -0.053 0.000 1.309 373 I CB 0.469 38.409 38.000 -0.099 0.000 1.415 373 I HN 0.088 nan 8.210 nan 0.000 0.492 374 V N 7.213 127.154 119.914 0.044 0.000 2.479 374 V HA 0.070 4.190 4.120 -0.000 0.000 0.281 374 V C 1.417 177.544 176.094 0.056 0.000 1.031 374 V CA 0.160 62.490 62.300 0.050 0.000 1.038 374 V CB 0.590 32.450 31.823 0.062 0.000 0.981 374 V HN 0.905 nan 8.190 nan 0.000 0.478 375 T N 0.584 115.163 114.554 0.042 0.000 3.044 375 T HA 0.283 4.633 4.350 -0.000 0.000 0.260 375 T C 0.174 174.893 174.700 0.031 0.000 1.019 375 T CA -0.228 61.897 62.100 0.042 0.000 0.921 375 T CB -0.144 68.747 68.868 0.038 0.000 1.053 375 T HN 0.823 nan 8.240 nan 0.000 0.533 376 E N 0.373 120.591 120.200 0.030 0.000 2.331 376 E HA 0.439 4.789 4.350 -0.000 0.000 0.275 376 E C -1.403 175.217 176.600 0.034 0.000 0.895 376 E CA -1.055 55.360 56.400 0.025 0.000 0.753 376 E CB 1.038 30.749 29.700 0.018 0.000 1.216 376 E HN -0.120 nan 8.360 nan 0.000 0.434 377 T N 2.595 117.171 114.554 0.037 0.000 2.866 377 T HA 0.105 4.455 4.350 -0.000 0.000 0.293 377 T C -0.427 174.312 174.700 0.064 0.000 1.005 377 T CA 0.445 62.587 62.100 0.069 0.000 1.162 377 T CB 0.150 69.039 68.868 0.035 0.000 0.968 377 T HN 0.452 nan 8.240 nan 0.000 0.530 378 T N 4.173 118.782 114.554 0.092 0.000 2.840 378 T HA 0.234 4.584 4.350 -0.000 0.000 0.287 378 T C -0.492 174.269 174.700 0.100 0.000 0.991 378 T CA -0.954 61.186 62.100 0.066 0.000 0.964 378 T CB 1.092 69.981 68.868 0.035 0.000 0.954 378 T HN 0.442 nan 8.240 nan 0.000 0.438 379 D N 3.091 123.542 120.400 0.085 0.000 2.348 379 D HA 0.331 4.971 4.640 -0.000 0.000 0.253 379 D C 0.350 176.690 176.300 0.067 0.000 1.161 379 D CA 0.160 54.221 54.000 0.103 0.000 0.876 379 D CB 1.069 41.908 40.800 0.065 0.000 1.160 379 D HN 0.410 nan 8.370 nan 0.000 0.459 380 R N 1.443 121.983 120.500 0.066 0.000 2.594 380 R HA 0.072 4.412 4.340 -0.000 0.000 0.265 380 R C -1.281 175.036 176.300 0.028 0.000 1.070 380 R CA -0.678 55.442 56.100 0.032 0.000 0.909 380 R CB 1.358 31.665 30.300 0.011 0.000 1.243 380 R HN 0.131 nan 8.270 nan 0.000 0.455 381 E N 5.470 125.684 120.200 0.024 0.000 2.104 381 E HA 0.142 4.492 4.350 -0.000 0.000 0.278 381 E C -0.216 176.391 176.600 0.011 0.000 1.127 381 E CA -0.027 56.386 56.400 0.020 0.000 0.897 381 E CB 0.516 30.227 29.700 0.018 0.000 1.043 381 E HN 0.386 nan 8.360 nan 0.000 0.410 382 L N 1.612 122.838 121.223 0.005 0.000 2.360 382 L HA 0.311 4.651 4.340 -0.000 0.000 0.271 382 L C 1.235 178.112 176.870 0.013 0.000 1.057 382 L CA -0.336 54.508 54.840 0.006 0.000 0.803 382 L CB 1.166 43.219 42.059 -0.009 0.000 1.207 382 L HN 0.401 nan 8.230 nan 0.000 0.445 383 T N -1.437 113.129 114.554 0.019 0.000 3.075 383 T HA 0.096 4.446 4.350 -0.000 0.000 0.251 383 T C 0.257 174.972 174.700 0.024 0.000 0.979 383 T CA 0.298 62.409 62.100 0.018 0.000 1.033 383 T CB 0.673 69.550 68.868 0.015 0.000 1.104 383 T HN 0.595 nan 8.240 nan 0.000 0.473 384 T N 2.813 117.386 114.554 0.033 0.000 2.881 384 T HA 0.689 5.039 4.350 -0.000 0.000 0.290 384 T C -0.875 173.857 174.700 0.053 0.000 1.000 384 T CA -0.708 61.416 62.100 0.040 0.000 0.978 384 T CB 2.126 71.019 68.868 0.041 0.000 0.997 384 T HN 0.224 nan 8.240 nan 0.000 0.443 385 V N 0.868 120.815 119.914 0.056 0.000 2.962 385 V HA 0.866 4.985 4.120 -0.000 0.000 0.313 385 V C -0.752 175.357 176.094 0.025 0.000 1.099 385 V CA -1.217 61.123 62.300 0.066 0.000 0.971 385 V CB 2.194 34.102 31.823 0.141 0.000 1.028 385 V HN 0.985 nan 8.190 nan 0.000 0.430 386 M N 2.845 122.425 119.600 -0.033 0.000 2.464 386 M HA 0.770 5.250 4.480 -0.000 0.000 0.308 386 M C -1.010 175.230 176.300 -0.100 0.000 1.127 386 M CA -0.285 54.996 55.300 -0.031 0.000 0.913 386 M CB 2.220 34.834 32.600 0.024 0.000 1.689 386 M HN 0.997 nan 8.290 nan 0.000 0.445 387 S N 3.190 118.844 115.700 -0.076 0.000 2.594 387 S HA 0.587 5.057 4.470 -0.000 0.000 0.296 387 S C -1.482 173.029 174.600 -0.149 0.000 1.124 387 S CA -0.787 57.341 58.200 -0.120 0.000 1.011 387 S CB 1.011 64.153 63.200 -0.097 0.000 1.016 387 S HN 0.847 nan 8.310 nan 0.000 0.485 388 N N 2.114 120.674 118.700 -0.234 0.000 2.443 388 N HA 0.563 5.303 4.740 -0.000 0.000 0.295 388 N C -1.314 173.828 175.510 -0.612 0.000 1.076 388 N CA -0.435 52.360 53.050 -0.424 0.000 0.919 388 N CB 1.883 40.060 38.487 -0.517 0.000 1.176 388 N HN 0.480 nan 8.380 nan 0.000 0.487 389 S N 1.415 116.675 115.700 -0.733 0.000 2.736 389 S HA 0.584 5.054 4.470 -0.000 0.000 0.285 389 S C -1.295 173.017 174.600 -0.480 0.000 1.163 389 S CA -0.606 57.261 58.200 -0.554 0.000 1.025 389 S CB 0.411 63.431 63.200 -0.299 0.000 1.030 389 S HN 0.284 nan 8.310 nan 0.000 0.486 390 F N 1.082 121.019 119.950 -0.021 0.000 2.546 390 F HA 0.886 5.413 4.527 -0.000 0.000 0.320 390 F C 0.755 176.580 175.800 0.042 0.000 1.076 390 F CA -0.947 57.068 58.000 0.025 0.000 0.928 390 F CB 1.906 40.933 39.000 0.045 0.000 1.189 390 F HN 0.669 nan 8.300 nan 0.000 0.465 391 G N 0.561 109.531 108.800 0.283 0.000 2.725 391 G HA2 0.597 4.557 3.960 -0.000 0.000 0.288 391 G HA3 0.597 4.557 3.960 -0.000 0.000 0.288 391 G C -1.528 173.565 174.900 0.321 0.000 1.399 391 G CA -0.730 44.480 45.100 0.183 0.000 0.859 391 G HN 0.187 nan 8.290 nan 0.000 0.479 392 F N 0.298 120.334 119.950 0.142 0.000 2.589 392 F HA 0.409 4.936 4.527 -0.000 0.000 0.352 392 F C 1.701 177.561 175.800 0.099 0.000 1.168 392 F CA 0.830 58.902 58.000 0.120 0.000 1.353 392 F CB 0.677 39.751 39.000 0.123 0.000 1.116 392 F HN 1.145 nan 8.300 nan 0.000 0.608 393 G N 0.442 109.391 108.800 0.250 0.000 2.141 393 G HA2 0.035 3.995 3.960 -0.000 0.000 0.242 393 G HA3 0.035 3.995 3.960 -0.000 0.000 0.242 393 G C 0.896 175.868 174.900 0.121 0.000 0.982 393 G CA 0.365 45.553 45.100 0.147 0.000 0.662 393 G HN 1.880 nan 8.290 nan 0.000 0.527 394 G N -1.128 107.754 108.800 0.136 0.000 2.249 394 G HA2 0.042 4.002 3.960 -0.000 0.000 0.273 394 G HA3 0.042 4.002 3.960 -0.000 0.000 0.273 394 G C 0.422 175.387 174.900 0.109 0.000 1.036 394 G CA 1.413 46.570 45.100 0.094 0.000 0.824 394 G HN 1.948 nan 8.290 nan 0.000 0.504 395 T N 0.409 115.066 114.554 0.172 0.000 2.806 395 T HA 0.561 4.911 4.350 -0.000 0.000 0.290 395 T C -0.007 174.866 174.700 0.290 0.000 0.966 395 T CA -0.524 61.708 62.100 0.221 0.000 1.060 395 T CB 0.324 69.345 68.868 0.254 0.000 0.927 395 T HN 0.320 nan 8.240 nan 0.000 0.485 396 N N 2.804 121.686 118.700 0.304 0.000 2.258 396 N HA 0.686 5.426 4.740 -0.000 0.000 0.299 396 N C -1.360 174.308 175.510 0.264 0.000 1.047 396 N CA -0.605 52.666 53.050 0.370 0.000 0.814 396 N CB 2.138 40.774 38.487 0.248 0.000 1.413 396 N HN 0.745 nan 8.380 nan 0.000 0.478 397 A N 0.834 123.723 122.820 0.114 0.000 2.455 397 A HA 0.778 5.098 4.320 -0.000 0.000 0.300 397 A C -0.856 176.714 177.584 -0.024 0.000 1.040 397 A CA -0.481 51.513 52.037 -0.071 0.000 0.697 397 A CB 1.403 20.087 19.000 -0.526 0.000 1.265 397 A HN 0.438 nan 8.150 nan 0.000 0.407 398 T N 2.260 116.843 114.554 0.048 0.000 2.921 398 T HA 0.604 4.954 4.350 -0.000 0.000 0.297 398 T C -0.898 173.862 174.700 0.101 0.000 1.013 398 T CA -0.241 61.882 62.100 0.038 0.000 0.990 398 T CB 0.924 69.833 68.868 0.068 0.000 1.023 398 T HN 0.506 nan 8.240 nan 0.000 0.447 399 L N 2.672 123.924 121.223 0.047 0.000 2.365 399 L HA 0.809 5.149 4.340 -0.000 0.000 0.273 399 L C -0.858 176.035 176.870 0.038 0.000 1.000 399 L CA -1.137 53.740 54.840 0.062 0.000 0.819 399 L CB 2.086 44.146 42.059 0.002 0.000 1.284 399 L HN 0.334 nan 8.230 nan 0.000 0.418 400 V N 3.754 123.700 119.914 0.054 0.000 2.483 400 V HA 0.517 4.637 4.120 -0.000 0.000 0.297 400 V C -0.250 175.863 176.094 0.032 0.000 1.027 400 V CA -0.361 61.966 62.300 0.045 0.000 0.855 400 V CB 1.856 33.715 31.823 0.060 0.000 0.995 400 V HN 0.710 nan 8.190 nan 0.000 0.424 401 M N 5.088 124.702 119.600 0.024 0.000 2.393 401 M HA 0.671 5.151 4.480 -0.000 0.000 0.316 401 M C -0.541 175.772 176.300 0.022 0.000 1.087 401 M CA -0.377 54.933 55.300 0.016 0.000 0.937 401 M CB 2.525 35.127 32.600 0.005 0.000 1.668 401 M HN 0.572 nan 8.290 nan 0.000 0.438 402 R N 1.578 122.088 120.500 0.017 0.000 2.673 402 R HA 0.485 4.825 4.340 -0.000 0.000 0.281 402 R C -1.070 175.235 176.300 0.007 0.000 0.991 402 R CA -0.793 55.316 56.100 0.016 0.000 0.896 402 R CB 1.951 32.261 30.300 0.015 0.000 1.201 402 R HN 0.654 nan 8.270 nan 0.000 0.457 403 K N 2.056 122.460 120.400 0.006 0.000 2.440 403 K HA -0.001 4.319 4.320 -0.000 0.000 0.270 403 K C -0.315 176.277 176.600 -0.013 0.000 0.980 403 K CA -0.083 56.201 56.287 -0.006 0.000 0.953 403 K CB 0.375 32.871 32.500 -0.006 0.000 0.925 403 K HN 0.273 nan 8.250 nan 0.000 0.497 404 L N 3.396 124.603 121.223 -0.027 0.000 2.290 404 L HA 0.053 4.393 4.340 -0.000 0.000 0.284 404 L C 0.630 177.485 176.870 -0.024 0.000 1.078 404 L CA 0.045 54.869 54.840 -0.027 0.000 0.815 404 L CB 1.057 43.091 42.059 -0.041 0.000 1.162 404 L HN 0.496 nan 8.230 nan 0.000 0.435 405 K N 3.039 123.428 120.400 -0.017 0.000 1.969 405 K HA 0.163 4.483 4.320 -0.000 0.000 0.216 405 K C 0.567 177.156 176.600 -0.017 0.000 1.048 405 K CA 1.695 57.974 56.287 -0.014 0.000 0.948 405 K CB -1.257 31.237 32.500 -0.011 0.000 0.726 405 K HN 0.717 nan 8.250 nan 0.000 0.442 406 D N 0.000 120.389 120.400 -0.018 0.000 6.856 406 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 406 D CA 0.000 nan 54.000 nan 0.000 0.868 406 D CB 0.000 nan 40.800 nan 0.000 0.688 406 D HN 0.000 nan 8.370 nan 0.000 0.683