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 2vb8_1_D 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 PIDYLNSHGT DATA SEQUENCE STPVGDVKEL AAIREVFGDK SPAISATKAM TGHSLGAAGV QEAIYSLLML DATA SEQUENCE EHGFIAPSIN IEELDEQAAG LNIVTETTDR ELTTVMSNSF GFGGTNATLV DATA SEQUENCE MRKL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.307 176.300 0.012 0.000 1.140 1 M CA 0.000 nan 55.300 nan 0.000 0.988 1 M CB 0.000 nan 32.600 nan 0.000 1.302 2 K N 1.760 122.166 120.400 0.009 0.000 2.295 2 K HA 0.652 4.972 4.320 -0.000 0.000 0.270 2 K C -0.437 176.165 176.600 0.003 0.000 1.011 2 K CA -0.232 56.058 56.287 0.004 0.000 0.953 2 K CB 0.644 33.143 32.500 -0.001 0.000 0.956 2 K HN 0.726 nan 8.250 nan 0.000 0.477 3 R N 0.365 120.865 120.500 -0.000 0.000 2.540 3 R HA 0.549 4.889 4.340 -0.000 0.000 0.287 3 R C -0.493 175.798 176.300 -0.014 0.000 0.980 3 R CA -0.673 55.426 56.100 -0.003 0.000 0.966 3 R CB 1.656 31.954 30.300 -0.002 0.000 1.106 3 R HN 0.645 nan 8.270 nan 0.000 0.480 4 A N 2.154 124.962 122.820 -0.020 0.000 2.331 4 A HA 0.618 4.938 4.320 -0.000 0.000 0.320 4 A C -0.453 177.108 177.584 -0.038 0.000 1.138 4 A CA -0.684 51.330 52.037 -0.038 0.000 0.790 4 A CB 1.104 20.075 19.000 -0.049 0.000 1.206 4 A HN 0.524 nan 8.150 nan 0.000 0.470 5 V N 0.113 120.000 119.914 -0.046 0.000 3.046 5 V HA 0.732 4.852 4.120 -0.000 0.000 0.316 5 V C -0.628 175.438 176.094 -0.047 0.000 1.104 5 V CA -1.096 61.180 62.300 -0.040 0.000 1.006 5 V CB 1.739 33.539 31.823 -0.037 0.000 1.058 5 V HN 0.612 nan 8.190 nan 0.000 0.440 6 I N 3.078 123.636 120.570 -0.021 0.000 2.321 6 I HA 0.431 4.601 4.170 -0.000 0.000 0.291 6 I C 1.096 177.268 176.117 0.092 0.000 0.998 6 I CA 0.154 61.452 61.300 -0.004 0.000 1.227 6 I CB 1.126 39.114 38.000 -0.021 0.000 1.368 6 I HN 1.042 nan 8.210 nan 0.000 0.466 7 T N 1.139 115.735 114.554 0.070 0.000 3.084 7 T HA 0.502 4.852 4.350 -0.000 0.000 0.270 7 T C 0.508 175.342 174.700 0.224 0.000 1.008 7 T CA -0.323 61.843 62.100 0.109 0.000 0.900 7 T CB 0.456 69.336 68.868 0.019 0.000 1.084 7 T HN 0.767 nan 8.240 nan 0.000 0.538 8 G N 1.384 110.318 108.800 0.223 0.000 2.655 8 G HA2 0.544 4.504 3.960 -0.000 0.000 0.296 8 G HA3 0.544 4.504 3.960 -0.000 0.000 0.296 8 G C -1.930 172.977 174.900 0.012 0.000 1.485 8 G CA -0.928 44.300 45.100 0.213 0.000 0.869 8 G HN 0.605 nan 8.290 nan 0.000 0.540 9 L N -0.910 120.291 121.223 -0.036 0.000 2.409 9 L HA 1.089 5.429 4.340 -0.000 0.000 0.255 9 L C 0.066 176.895 176.870 -0.069 0.000 1.027 9 L CA -0.969 53.791 54.840 -0.134 0.000 0.834 9 L CB 1.841 43.717 42.059 -0.305 0.000 1.426 9 L HN 1.302 nan 8.230 nan 0.000 0.411 10 G N 0.233 108.986 108.800 -0.080 0.000 2.742 10 G HA2 0.732 4.692 3.960 -0.000 0.000 0.296 10 G HA3 0.732 4.692 3.960 -0.000 0.000 0.296 10 G C -2.153 172.713 174.900 -0.057 0.000 1.436 10 G CA -0.554 44.515 45.100 -0.052 0.000 0.928 10 G HN 1.028 nan 8.290 nan 0.000 0.520 11 I N 0.690 121.240 120.570 -0.033 0.000 2.743 11 I HA 0.590 4.760 4.170 -0.000 0.000 0.292 11 I C -1.574 174.531 176.117 -0.020 0.000 1.343 11 I CA -0.866 60.412 61.300 -0.037 0.000 1.038 11 I CB 2.246 40.222 38.000 -0.040 0.000 1.311 11 I HN 0.378 nan 8.210 nan 0.000 0.426 12 V N 6.523 126.411 119.914 -0.043 0.000 2.409 12 V HA 0.646 4.766 4.120 -0.000 0.000 0.290 12 V C -0.285 175.716 176.094 -0.155 0.000 1.017 12 V CA -0.214 62.036 62.300 -0.083 0.000 0.841 12 V CB 1.429 33.209 31.823 -0.071 0.000 1.003 12 V HN 0.809 nan 8.190 nan 0.000 0.426 13 S N 2.348 117.983 115.700 -0.108 0.000 2.661 13 S HA 0.450 4.920 4.470 -0.000 0.000 0.285 13 S C 1.071 175.613 174.600 -0.097 0.000 1.138 13 S CA 0.093 58.244 58.200 -0.081 0.000 0.855 13 S CB 1.896 65.135 63.200 0.066 0.000 1.136 13 S HN 0.903 nan 8.310 nan 0.000 0.484 14 S N 0.619 116.269 115.700 -0.083 0.000 2.442 14 S HA -0.091 4.379 4.470 -0.000 0.000 0.236 14 S C 1.466 176.037 174.600 -0.048 0.000 1.007 14 S CA 1.063 59.216 58.200 -0.079 0.000 0.965 14 S CB -1.136 62.029 63.200 -0.059 0.000 0.773 14 S HN 1.053 nan 8.310 nan 0.000 0.504 15 I N -2.402 118.146 120.570 -0.037 0.000 3.941 15 I HA 0.659 4.829 4.170 -0.000 0.000 0.335 15 I C 0.599 176.697 176.117 -0.031 0.000 1.402 15 I CA -0.337 60.935 61.300 -0.047 0.000 1.112 15 I CB 0.132 38.074 38.000 -0.097 0.000 1.043 15 I HN 0.304 nan 8.210 nan 0.000 0.395 16 G N 0.982 109.770 108.800 -0.020 0.000 2.376 16 G HA2 0.037 3.997 3.960 -0.000 0.000 0.302 16 G HA3 0.037 3.997 3.960 -0.000 0.000 0.302 16 G C -0.844 174.049 174.900 -0.011 0.000 1.586 16 G CA -0.640 44.452 45.100 -0.012 0.000 0.907 16 G HN -0.014 nan 8.290 nan 0.000 0.655 17 N N 0.183 118.877 118.700 -0.009 0.000 2.336 17 N HA 0.109 4.849 4.740 -0.000 0.000 0.189 17 N C 0.406 175.921 175.510 0.008 0.000 1.113 17 N CA 0.693 53.739 53.050 -0.007 0.000 0.858 17 N CB 0.218 38.705 38.487 0.000 0.000 0.970 17 N HN 0.818 nan 8.380 nan 0.000 0.471 18 N N -1.640 117.068 118.700 0.012 0.000 3.261 18 N HA -0.036 4.704 4.740 -0.000 0.000 0.248 18 N C 0.374 175.900 175.510 0.028 0.000 1.498 18 N CA -0.621 52.440 53.050 0.019 0.000 0.884 18 N CB 0.418 38.917 38.487 0.021 0.000 1.428 18 N HN -0.132 nan 8.380 nan 0.000 0.517 19 Q N -1.109 118.712 119.800 0.036 0.000 2.224 19 Q HA -0.106 4.234 4.340 -0.000 0.000 0.203 19 Q C 0.713 176.737 176.000 0.040 0.000 0.970 19 Q CA 1.566 57.401 55.803 0.053 0.000 0.865 19 Q CB -0.301 28.479 28.738 0.071 0.000 0.922 19 Q HN 0.646 nan 8.270 nan 0.000 0.445 20 Q N 1.259 121.073 119.800 0.023 0.000 2.049 20 Q HA -0.106 4.234 4.340 -0.000 0.000 0.198 20 Q C 1.814 177.800 176.000 -0.025 0.000 0.971 20 Q CA 1.856 57.654 55.803 -0.008 0.000 0.833 20 Q CB 0.056 28.792 28.738 -0.003 0.000 0.896 20 Q HN 0.551 nan 8.270 nan 0.000 0.434 21 E N -0.159 120.034 120.200 -0.011 0.000 2.077 21 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 21 E C 2.020 178.607 176.600 -0.021 0.000 0.989 21 E CA 1.346 57.734 56.400 -0.019 0.000 0.800 21 E CB -0.077 29.617 29.700 -0.011 0.000 0.746 21 E HN 0.114 nan 8.360 nan 0.000 0.452 22 V N 1.535 121.452 119.914 0.005 0.000 2.295 22 V HA -0.246 3.874 4.120 -0.000 0.000 0.246 22 V C 2.325 178.417 176.094 -0.004 0.000 1.049 22 V CA 1.485 63.797 62.300 0.020 0.000 1.024 22 V CB -0.412 31.481 31.823 0.117 0.000 0.648 22 V HN 0.227 nan 8.190 nan 0.000 0.447 23 L N 1.012 122.232 121.223 -0.005 0.000 2.012 23 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 23 L C 2.446 179.241 176.870 -0.126 0.000 1.073 23 L CA 2.536 57.345 54.840 -0.052 0.000 0.748 23 L CB -1.025 40.937 42.059 -0.162 0.000 0.891 23 L HN 0.233 nan 8.230 nan 0.000 0.431 24 A N -1.622 121.129 122.820 -0.116 0.000 1.908 24 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 24 A C 2.415 179.932 177.584 -0.111 0.000 1.181 24 A CA 2.107 54.069 52.037 -0.124 0.000 0.627 24 A CB -0.984 17.964 19.000 -0.087 0.000 0.818 24 A HN 0.545 nan 8.150 nan 0.000 0.445 25 S N -0.326 115.322 115.700 -0.086 0.000 2.371 25 S HA -0.032 4.438 4.470 -0.000 0.000 0.224 25 S C 1.838 176.384 174.600 -0.090 0.000 1.029 25 S CA 1.247 59.397 58.200 -0.084 0.000 0.978 25 S CB -0.432 62.718 63.200 -0.083 0.000 0.833 25 S HN 0.504 nan 8.310 nan 0.000 0.466 26 L N 1.166 122.341 121.223 -0.081 0.000 2.042 26 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 26 L C 2.743 179.623 176.870 0.017 0.000 1.076 26 L CA 1.169 56.002 54.840 -0.012 0.000 0.749 26 L CB -0.482 41.654 42.059 0.130 0.000 0.893 26 L HN 0.200 nan 8.230 nan 0.000 0.432 27 R N -0.417 119.993 120.500 -0.151 0.000 2.115 27 R HA -0.143 4.197 4.340 -0.000 0.000 0.230 27 R C 2.158 178.369 176.300 -0.148 0.000 1.111 27 R CA 1.419 57.341 56.100 -0.297 0.000 0.976 27 R CB -0.518 29.504 30.300 -0.463 0.000 0.870 27 R HN 0.323 nan 8.270 nan 0.000 0.445 28 E N 0.017 120.151 120.200 -0.110 0.000 2.435 28 E HA 0.015 4.364 4.350 -0.000 0.000 0.195 28 E C 0.917 177.488 176.600 -0.049 0.000 1.029 28 E CA 0.548 56.902 56.400 -0.076 0.000 0.865 28 E CB -0.380 29.277 29.700 -0.071 0.000 0.833 28 E HN 0.647 nan 8.360 nan 0.000 0.510 29 G N 1.622 110.397 108.800 -0.042 0.000 2.273 29 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.280 29 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.280 29 G C 0.161 175.038 174.900 -0.038 0.000 1.047 29 G CA 0.680 45.761 45.100 -0.032 0.000 0.869 29 G HN 0.579 nan 8.290 nan 0.000 0.502 30 R N 0.160 120.630 120.500 -0.049 0.000 2.340 30 R HA 0.502 4.842 4.340 -0.000 0.000 0.300 30 R C 0.731 177.006 176.300 -0.042 0.000 1.069 30 R CA 0.226 56.302 56.100 -0.041 0.000 0.984 30 R CB 0.589 30.863 30.300 -0.044 0.000 1.003 30 R HN 0.262 nan 8.270 nan 0.000 0.459 31 S N 2.063 117.749 115.700 -0.023 0.000 2.565 31 S HA 0.235 4.705 4.470 -0.000 0.000 0.276 31 S C 0.922 175.519 174.600 -0.005 0.000 1.326 31 S CA -0.223 57.969 58.200 -0.014 0.000 1.045 31 S CB 1.211 64.413 63.200 0.004 0.000 0.918 31 S HN 0.795 nan 8.310 nan 0.000 0.505 32 G N 3.836 112.633 108.800 -0.004 0.000 3.189 32 G HA2 0.229 4.188 3.960 -0.000 0.000 0.225 32 G HA3 0.229 4.188 3.960 -0.000 0.000 0.225 32 G C 0.079 175.008 174.900 0.048 0.000 1.159 32 G CA -0.214 44.890 45.100 0.007 0.000 0.763 32 G HN 0.596 nan 8.290 nan 0.000 0.549 33 I N 2.451 123.064 120.570 0.072 0.000 2.365 33 I HA 0.386 4.556 4.170 -0.000 0.000 0.291 33 I C 0.513 176.730 176.117 0.167 0.000 1.004 33 I CA -0.643 60.735 61.300 0.131 0.000 1.311 33 I CB 0.593 38.661 38.000 0.113 0.000 1.401 33 I HN 0.046 nan 8.210 nan 0.000 0.491 34 T N 2.657 117.366 114.554 0.259 0.000 2.906 34 T HA 0.535 4.885 4.350 -0.000 0.000 0.295 34 T C -0.429 174.426 174.700 0.259 0.000 1.075 34 T CA -0.745 61.517 62.100 0.271 0.000 1.005 34 T CB 1.735 70.783 68.868 0.299 0.000 1.136 34 T HN 0.222 nan 8.240 nan 0.000 0.498 35 F N 1.945 121.946 119.950 0.085 0.000 2.572 35 F HA 0.471 4.998 4.527 -0.000 0.000 0.370 35 F C 0.540 176.251 175.800 -0.148 0.000 1.103 35 F CA 0.102 58.096 58.000 -0.011 0.000 1.286 35 F CB 0.637 39.639 39.000 0.003 0.000 1.105 35 F HN 0.686 nan 8.300 nan 0.000 0.583 36 S N 5.038 119.896 115.700 -1.403 0.000 2.566 36 S HA 0.189 4.659 4.470 -0.000 0.000 0.324 36 S C 0.561 174.257 174.600 -1.506 0.000 1.081 36 S CA -0.713 56.575 58.200 -1.519 0.000 1.105 36 S CB 1.297 63.120 63.200 -2.296 0.000 0.981 36 S HN 0.893 nan 8.310 nan 0.000 0.464 37 Q N 3.459 122.714 119.800 -0.908 0.000 2.124 37 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 37 Q C 1.781 177.539 176.000 -0.404 0.000 0.977 37 Q CA 2.291 57.823 55.803 -0.451 0.000 0.850 37 Q CB -0.172 28.535 28.738 -0.051 0.000 0.901 37 Q HN 0.916 nan 8.270 nan 0.000 0.429 38 E N -0.519 119.440 120.200 -0.402 0.000 2.058 38 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 38 E C 1.824 178.247 176.600 -0.294 0.000 0.997 38 E CA 1.323 57.577 56.400 -0.243 0.000 0.801 38 E CB -0.195 29.476 29.700 -0.048 0.000 0.746 38 E HN 0.457 nan 8.360 nan 0.000 0.450 39 L N 0.511 121.444 121.223 -0.483 0.000 2.046 39 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 39 L C 2.860 179.568 176.870 -0.269 0.000 1.077 39 L CA 1.511 56.181 54.840 -0.284 0.000 0.747 39 L CB -0.507 41.355 42.059 -0.328 0.000 0.896 39 L HN 0.159 nan 8.230 nan 0.000 0.432 40 K N 0.249 120.365 120.400 -0.475 0.000 2.026 40 K HA -0.205 4.115 4.320 -0.000 0.000 0.208 40 K C 1.681 178.077 176.600 -0.340 0.000 1.048 40 K CA 1.744 57.674 56.287 -0.594 0.000 0.929 40 K CB 0.027 32.079 32.500 -0.747 0.000 0.713 40 K HN 0.183 nan 8.250 nan 0.000 0.439 41 D N -0.024 120.201 120.400 -0.291 0.000 2.218 41 D HA -0.128 4.512 4.640 -0.000 0.000 0.204 41 D C 1.853 177.979 176.300 -0.288 0.000 0.976 41 D CA 1.452 55.308 54.000 -0.241 0.000 0.853 41 D CB -0.120 40.550 40.800 -0.216 0.000 0.939 41 D HN 0.344 nan 8.370 nan 0.000 0.481 42 S N -1.000 114.494 115.700 -0.342 0.000 2.515 42 S HA 0.130 4.600 4.470 -0.000 0.000 0.231 42 S C 1.746 176.191 174.600 -0.258 0.000 0.987 42 S CA 1.043 58.963 58.200 -0.466 0.000 0.936 42 S CB 0.257 63.173 63.200 -0.474 0.000 0.766 42 S HN 0.314 nan 8.310 nan 0.000 0.528 43 G N 0.475 109.182 108.800 -0.154 0.000 2.179 43 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.220 43 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.220 43 G C 0.022 174.931 174.900 0.015 0.000 0.990 43 G CA 0.044 45.105 45.100 -0.066 0.000 0.646 43 G HN 0.486 nan 8.290 nan 0.000 0.517 44 M N -0.275 119.351 119.600 0.043 0.000 2.226 44 M HA 0.378 4.858 4.480 -0.000 0.000 0.324 44 M C 1.859 178.269 176.300 0.183 0.000 1.112 44 M CA 0.160 55.526 55.300 0.109 0.000 1.176 44 M CB 0.476 33.150 32.600 0.123 0.000 1.430 44 M HN 0.163 nan 8.290 nan 0.000 0.462 45 R N -0.300 120.246 120.500 0.076 0.000 2.173 45 R HA 0.098 4.438 4.340 -0.000 0.000 0.208 45 R C 0.429 176.571 176.300 -0.263 0.000 1.035 45 R CA 0.233 56.301 56.100 -0.054 0.000 1.004 45 R CB 0.244 30.515 30.300 -0.048 0.000 0.917 45 R HN 0.562 nan 8.270 nan 0.000 0.462 46 S N 0.311 115.951 115.700 -0.099 0.000 2.452 46 S HA 0.149 4.619 4.470 -0.000 0.000 0.284 46 S C -0.169 174.434 174.600 0.005 0.000 1.171 46 S CA -0.582 57.552 58.200 -0.110 0.000 1.064 46 S CB 0.385 63.559 63.200 -0.045 0.000 0.967 46 S HN 0.334 nan 8.310 nan 0.000 0.484 47 H N 2.774 121.801 119.070 -0.072 0.000 2.475 47 H HA 0.346 4.902 4.556 -0.000 0.000 0.276 47 H C -0.181 174.966 175.328 -0.300 0.000 1.126 47 H CA -0.598 55.321 56.048 -0.214 0.000 1.023 47 H CB 0.573 30.291 29.762 -0.074 0.000 1.669 47 H HN 0.438 nan 8.280 nan 0.000 0.573 48 V N -1.633 118.245 119.914 -0.060 0.000 2.789 48 V HA 0.622 4.742 4.120 -0.000 0.000 0.311 48 V C -1.331 174.841 176.094 0.130 0.000 1.073 48 V CA -0.929 61.375 62.300 0.006 0.000 0.921 48 V CB 2.033 33.924 31.823 0.114 0.000 1.009 48 V HN 0.387 nan 8.190 nan 0.000 0.426 49 W N 1.597 122.911 121.300 0.024 0.000 3.074 49 W HA 0.851 5.511 4.660 -0.000 0.000 0.332 49 W C -0.233 176.305 176.519 0.033 0.000 1.253 49 W CA -1.849 55.514 57.345 0.030 0.000 1.180 49 W CB 0.955 30.427 29.460 0.021 0.000 1.445 49 W HN 1.018 nan 8.180 nan 0.000 0.573 50 G N 3.412 112.322 108.800 0.184 0.000 2.922 50 G HA2 0.317 4.277 3.960 -0.000 0.000 0.335 50 G HA3 0.317 4.277 3.960 -0.000 0.000 0.335 50 G C -0.396 174.388 174.900 -0.193 0.000 1.016 50 G CA -0.646 44.465 45.100 0.020 0.000 1.306 50 G HN 0.556 nan 8.290 nan 0.000 0.465 51 N N 1.061 119.564 118.700 -0.329 0.000 2.524 51 N HA 0.221 4.961 4.740 -0.000 0.000 0.283 51 N C -0.257 175.076 175.510 -0.294 0.000 1.142 51 N CA -0.606 52.124 53.050 -0.534 0.000 0.984 51 N CB 1.969 40.025 38.487 -0.719 0.000 1.155 51 N HN -0.028 nan 8.380 nan 0.000 0.467 52 V N 1.446 121.168 119.914 -0.320 0.000 2.508 52 V HA 0.078 4.198 4.120 -0.000 0.000 0.281 52 V C 0.611 176.627 176.094 -0.129 0.000 1.041 52 V CA -0.269 61.879 62.300 -0.254 0.000 1.016 52 V CB 0.101 31.670 31.823 -0.423 0.000 0.984 52 V HN 0.612 nan 8.190 nan 0.000 0.478 53 K N 5.561 125.915 120.400 -0.078 0.000 2.319 53 K HA 0.570 4.890 4.320 -0.000 0.000 0.237 53 K C -1.004 175.593 176.600 -0.005 0.000 1.113 53 K CA -0.226 56.047 56.287 -0.023 0.000 1.072 53 K CB 0.492 32.987 32.500 -0.009 0.000 1.734 53 K HN 0.410 nan 8.250 nan 0.000 0.429 54 L N 1.036 122.265 121.223 0.011 0.000 2.588 54 L HA 0.267 4.607 4.340 -0.000 0.000 0.263 54 L C -1.762 175.138 176.870 0.050 0.000 0.935 54 L CA -0.546 54.313 54.840 0.031 0.000 0.891 54 L CB 1.858 43.939 42.059 0.037 0.000 1.318 54 L HN 0.202 nan 8.230 nan 0.000 0.409 55 D N 2.218 122.643 120.400 0.042 0.000 2.352 55 D HA 0.189 4.829 4.640 -0.000 0.000 0.245 55 D C 0.999 177.324 176.300 0.042 0.000 1.224 55 D CA 0.479 54.503 54.000 0.041 0.000 0.879 55 D CB 1.295 42.114 40.800 0.031 0.000 1.057 55 D HN 0.685 nan 8.370 nan 0.000 0.491 56 T N -0.066 114.515 114.554 0.046 0.000 3.129 56 T HA 0.023 4.373 4.350 -0.000 0.000 0.251 56 T C 0.757 175.460 174.700 0.004 0.000 1.117 56 T CA -0.296 61.827 62.100 0.039 0.000 1.034 56 T CB -0.426 68.471 68.868 0.048 0.000 0.968 56 T HN 0.243 nan 8.240 nan 0.000 0.526 57 T N 2.535 117.090 114.554 0.001 0.000 2.831 57 T HA 0.400 4.750 4.350 -0.000 0.000 0.291 57 T C 1.544 176.233 174.700 -0.017 0.000 0.981 57 T CA 0.775 62.866 62.100 -0.015 0.000 1.174 57 T CB 0.012 68.876 68.868 -0.008 0.000 0.929 57 T HN 0.743 nan 8.240 nan 0.000 0.532 58 G N 2.689 111.467 108.800 -0.036 0.000 2.184 58 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.264 58 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.264 58 G C 0.832 175.718 174.900 -0.023 0.000 0.975 58 G CA 0.309 45.389 45.100 -0.034 0.000 0.642 58 G HN 0.696 nan 8.290 nan 0.000 0.536 59 L N -0.442 120.771 121.223 -0.015 0.000 2.395 59 L HA 0.346 4.686 4.340 -0.000 0.000 0.218 59 L C 1.226 178.100 176.870 0.006 0.000 1.130 59 L CA 0.718 55.568 54.840 0.017 0.000 0.826 59 L CB -0.039 42.050 42.059 0.049 0.000 0.941 59 L HN 0.293 nan 8.230 nan 0.000 0.451 60 I N -0.863 119.656 120.570 -0.085 0.000 2.465 60 I HA 0.201 4.371 4.170 -0.000 0.000 0.291 60 I C -0.655 175.351 176.117 -0.184 0.000 1.014 60 I CA -1.034 60.143 61.300 -0.205 0.000 1.093 60 I CB 1.955 39.677 38.000 -0.462 0.000 1.267 60 I HN -0.159 nan 8.210 nan 0.000 0.431 61 D N 4.726 125.030 120.400 -0.161 0.000 2.571 61 D HA -0.052 4.588 4.640 -0.000 0.000 0.231 61 D C 1.206 177.410 176.300 -0.160 0.000 1.133 61 D CA 0.349 54.274 54.000 -0.125 0.000 0.862 61 D CB 0.932 41.676 40.800 -0.093 0.000 1.179 61 D HN 0.488 nan 8.370 nan 0.000 0.474 62 R N 2.456 122.876 120.500 -0.133 0.000 2.113 62 R HA -0.215 4.125 4.340 -0.000 0.000 0.244 62 R C 1.319 177.503 176.300 -0.194 0.000 1.142 62 R CA 1.532 57.537 56.100 -0.158 0.000 0.953 62 R CB 0.116 30.344 30.300 -0.121 0.000 0.860 62 R HN 0.353 nan 8.270 nan 0.000 0.438 63 K N -0.523 119.794 120.400 -0.138 0.000 2.432 63 K HA -0.002 4.318 4.320 -0.000 0.000 0.196 63 K C 1.764 178.334 176.600 -0.049 0.000 1.038 63 K CA 0.609 56.828 56.287 -0.113 0.000 0.986 63 K CB 0.443 32.924 32.500 -0.031 0.000 0.782 63 K HN 0.086 nan 8.250 nan 0.000 0.485 64 V N -0.018 119.840 119.914 -0.094 0.000 2.492 64 V HA -0.098 4.022 4.120 -0.000 0.000 0.241 64 V C 1.872 177.874 176.094 -0.153 0.000 1.041 64 V CA 0.912 63.166 62.300 -0.077 0.000 1.057 64 V CB 0.305 32.001 31.823 -0.212 0.000 0.711 64 V HN 0.066 nan 8.190 nan 0.000 0.468 65 V N 2.294 122.040 119.914 -0.280 0.000 2.970 65 V HA -0.149 3.971 4.120 -0.000 0.000 0.260 65 V C 2.693 178.570 176.094 -0.361 0.000 1.100 65 V CA 1.803 63.911 62.300 -0.321 0.000 1.122 65 V CB -0.640 30.997 31.823 -0.310 0.000 0.721 65 V HN 0.693 nan 8.190 nan 0.000 0.483 66 R N -1.189 119.017 120.500 -0.491 0.000 2.189 66 R HA -0.089 4.251 4.340 -0.000 0.000 0.223 66 R C 1.724 177.468 176.300 -0.926 0.000 1.092 66 R CA 1.777 57.380 56.100 -0.829 0.000 0.989 66 R CB -0.627 28.945 30.300 -1.214 0.000 0.876 66 R HN 0.486 nan 8.270 nan 0.000 0.457 67 F N 0.916 120.606 119.950 -0.435 0.000 2.765 67 F HA 0.334 4.861 4.527 -0.000 0.000 0.302 67 F C 0.792 176.437 175.800 -0.258 0.000 1.111 67 F CA 0.034 57.880 58.000 -0.256 0.000 1.359 67 F CB 0.160 39.077 39.000 -0.139 0.000 1.097 67 F HN -0.111 nan 8.300 nan 0.000 0.577 68 M N -0.225 119.263 119.600 -0.187 0.000 2.363 68 M HA 0.303 4.783 4.480 -0.000 0.000 0.343 68 M C 0.476 176.585 176.300 -0.318 0.000 1.165 68 M CA -0.604 54.578 55.300 -0.196 0.000 1.046 68 M CB 1.673 34.153 32.600 -0.199 0.000 1.648 68 M HN -0.012 nan 8.290 nan 0.000 0.452 69 S N 0.146 115.708 115.700 -0.230 0.000 2.713 69 S HA 0.320 4.790 4.470 -0.000 0.000 0.277 69 S C 0.359 174.882 174.600 -0.129 0.000 1.168 69 S CA -0.753 57.363 58.200 -0.140 0.000 0.994 69 S CB 0.875 64.095 63.200 0.034 0.000 1.054 69 S HN 0.675 nan 8.310 nan 0.000 0.555 70 D N 0.908 121.236 120.400 -0.118 0.000 2.178 70 D HA -0.002 4.638 4.640 -0.000 0.000 0.201 70 D C 2.165 178.139 176.300 -0.544 0.000 0.980 70 D CA 1.627 55.364 54.000 -0.439 0.000 0.842 70 D CB -0.855 39.664 40.800 -0.469 0.000 0.948 70 D HN 0.662 nan 8.370 nan 0.000 0.472 71 A N 0.473 123.181 122.820 -0.186 0.000 1.908 71 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 71 A C 2.448 180.028 177.584 -0.007 0.000 1.181 71 A CA 1.925 53.949 52.037 -0.021 0.000 0.627 71 A CB -0.574 18.456 19.000 0.050 0.000 0.818 71 A HN 0.173 nan 8.150 nan 0.000 0.445 72 S N -0.310 115.369 115.700 -0.034 0.000 2.368 72 S HA -0.073 4.397 4.470 -0.000 0.000 0.224 72 S C 1.805 176.423 174.600 0.030 0.000 1.029 72 S CA 1.313 59.524 58.200 0.019 0.000 0.988 72 S CB -0.469 62.729 63.200 -0.003 0.000 0.838 72 S HN 0.534 nan 8.310 nan 0.000 0.462 73 I N 0.450 120.954 120.570 -0.110 0.000 2.163 73 I HA -0.232 3.938 4.170 -0.000 0.000 0.243 73 I C 2.063 178.240 176.117 0.100 0.000 1.085 73 I CA 1.390 62.636 61.300 -0.091 0.000 1.347 73 I CB -0.411 37.441 38.000 -0.245 0.000 1.044 73 I HN 0.272 nan 8.210 nan 0.000 0.408 74 Y N 0.682 121.024 120.300 0.070 0.000 2.200 74 Y HA -0.151 4.399 4.550 -0.000 0.000 0.290 74 Y C 2.646 178.593 175.900 0.079 0.000 1.137 74 Y CA 0.718 58.854 58.100 0.060 0.000 1.163 74 Y CB -1.328 37.145 38.460 0.023 0.000 0.988 74 Y HN 0.116 nan 8.280 nan 0.000 0.518 75 A N -0.454 122.513 122.820 0.245 0.000 1.930 75 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 75 A C 2.179 179.868 177.584 0.175 0.000 1.175 75 A CA 1.345 53.478 52.037 0.160 0.000 0.627 75 A CB -1.304 17.770 19.000 0.122 0.000 0.815 75 A HN 0.434 nan 8.150 nan 0.000 0.443 76 F N 0.624 120.631 119.950 0.095 0.000 2.102 76 F HA -0.121 4.406 4.527 -0.000 0.000 0.298 76 F C 1.894 177.784 175.800 0.150 0.000 1.105 76 F CA 1.706 59.805 58.000 0.164 0.000 1.239 76 F CB -0.249 38.819 39.000 0.115 0.000 0.991 76 F HN 0.136 nan 8.300 nan 0.000 0.474 77 L N -0.623 120.836 121.223 0.394 0.000 2.046 77 L HA -0.238 4.102 4.340 -0.000 0.000 0.208 77 L C 2.518 179.435 176.870 0.079 0.000 1.077 77 L CA 1.453 56.441 54.840 0.246 0.000 0.747 77 L CB -0.978 41.225 42.059 0.240 0.000 0.896 77 L HN 0.082 nan 8.230 nan 0.000 0.432 78 S N -0.337 115.399 115.700 0.061 0.000 2.382 78 S HA -0.238 4.232 4.470 -0.000 0.000 0.228 78 S C 1.920 176.456 174.600 -0.106 0.000 1.027 78 S CA 1.713 59.904 58.200 -0.014 0.000 0.991 78 S CB -0.252 62.944 63.200 -0.007 0.000 0.823 78 S HN 0.372 nan 8.310 nan 0.000 0.469 79 M N 1.519 121.001 119.600 -0.198 0.000 2.132 79 M HA -0.101 4.379 4.480 -0.000 0.000 0.263 79 M C 1.933 177.930 176.300 -0.504 0.000 1.065 79 M CA 1.435 56.464 55.300 -0.452 0.000 1.122 79 M CB -0.185 31.962 32.600 -0.755 0.000 1.365 79 M HN 0.217 nan 8.290 nan 0.000 0.411 80 E N -0.054 119.943 120.200 -0.338 0.000 2.085 80 E HA -0.280 4.070 4.350 -0.000 0.000 0.194 80 E C 2.056 178.586 176.600 -0.116 0.000 0.994 80 E CA 1.777 58.073 56.400 -0.174 0.000 0.801 80 E CB -0.264 29.417 29.700 -0.032 0.000 0.743 80 E HN 0.693 nan 8.360 nan 0.000 0.453 81 Q N 0.038 119.791 119.800 -0.078 0.000 2.084 81 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 81 Q C 2.199 178.173 176.000 -0.045 0.000 0.978 81 Q CA 1.317 57.099 55.803 -0.035 0.000 0.844 81 Q CB -0.123 28.606 28.738 -0.015 0.000 0.898 81 Q HN 0.238 nan 8.270 nan 0.000 0.426 82 A N 0.667 123.435 122.820 -0.086 0.000 1.929 82 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 82 A C 2.012 179.579 177.584 -0.028 0.000 1.176 82 A CA 0.835 52.844 52.037 -0.045 0.000 0.628 82 A CB -0.502 18.473 19.000 -0.043 0.000 0.816 82 A HN 0.273 nan 8.150 nan 0.000 0.444 83 I N -0.076 120.414 120.570 -0.134 0.000 2.127 83 I HA -0.330 3.840 4.170 -0.000 0.000 0.241 83 I C 2.997 179.090 176.117 -0.040 0.000 1.075 83 I CA 1.292 62.502 61.300 -0.150 0.000 1.334 83 I CB -0.312 37.442 38.000 -0.409 0.000 1.040 83 I HN 0.359 nan 8.210 nan 0.000 0.405 84 A N 0.091 122.895 122.820 -0.026 0.000 1.877 84 A HA -0.301 4.018 4.320 -0.000 0.000 0.216 84 A C 2.005 179.611 177.584 0.036 0.000 1.186 84 A CA 2.298 54.346 52.037 0.018 0.000 0.620 84 A CB -0.784 18.228 19.000 0.020 0.000 0.822 84 A HN 0.456 nan 8.150 nan 0.000 0.443 85 D N -0.333 120.094 120.400 0.045 0.000 2.218 85 D HA -0.001 4.639 4.640 -0.000 0.000 0.204 85 D C 1.776 178.146 176.300 0.116 0.000 0.976 85 D CA 1.321 55.374 54.000 0.089 0.000 0.853 85 D CB -0.121 40.752 40.800 0.123 0.000 0.939 85 D HN 0.356 nan 8.370 nan 0.000 0.481 86 A N -0.853 122.021 122.820 0.090 0.000 2.169 86 A HA 0.413 4.733 4.320 -0.000 0.000 0.212 86 A C 1.846 179.471 177.584 0.069 0.000 1.153 86 A CA 0.978 53.068 52.037 0.088 0.000 0.756 86 A CB -0.405 18.625 19.000 0.050 0.000 0.813 86 A HN 0.424 nan 8.150 nan 0.000 0.471 87 G N -1.104 107.732 108.800 0.061 0.000 2.147 87 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.244 87 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.244 87 G C -0.056 174.889 174.900 0.076 0.000 1.005 87 G CA 0.349 45.484 45.100 0.057 0.000 0.713 87 G HN 0.442 nan 8.290 nan 0.000 0.515 88 L N 0.774 122.054 121.223 0.095 0.000 2.325 88 L HA 0.690 5.030 4.340 -0.000 0.000 0.279 88 L C 0.539 177.556 176.870 0.244 0.000 1.054 88 L CA -0.610 54.331 54.840 0.167 0.000 0.804 88 L CB 1.846 44.010 42.059 0.175 0.000 1.200 88 L HN 0.151 nan 8.230 nan 0.000 0.436 89 S N 2.062 117.928 115.700 0.276 0.000 2.648 89 S HA 0.421 4.891 4.470 -0.000 0.000 0.305 89 S C -1.906 172.797 174.600 0.172 0.000 1.094 89 S CA -1.097 57.249 58.200 0.243 0.000 0.983 89 S CB 2.092 65.360 63.200 0.113 0.000 1.101 89 S HN 0.373 nan 8.310 nan 0.000 0.514 90 P HA -0.178 nan 4.420 nan 0.000 0.216 90 P C 1.319 178.428 177.300 -0.319 0.000 1.154 90 P CA 1.039 63.880 63.100 -0.432 0.000 0.865 90 P CB 0.148 31.704 31.700 -0.240 0.000 0.789 91 E N -0.695 119.430 120.200 -0.125 0.000 2.171 91 E HA -0.237 4.113 4.350 -0.000 0.000 0.197 91 E C 1.714 178.285 176.600 -0.049 0.000 0.997 91 E CA 1.362 57.715 56.400 -0.079 0.000 0.810 91 E CB -0.297 29.385 29.700 -0.030 0.000 0.738 91 E HN 0.156 nan 8.360 nan 0.000 0.467 92 A N -0.103 122.720 122.820 0.004 0.000 1.943 92 A HA -0.078 4.242 4.320 -0.000 0.000 0.213 92 A C 1.718 179.382 177.584 0.134 0.000 1.181 92 A CA 0.990 53.082 52.037 0.090 0.000 0.653 92 A CB -0.308 18.787 19.000 0.158 0.000 0.833 92 A HN 0.538 nan 8.150 nan 0.000 0.451 93 Y N -1.287 119.056 120.300 0.072 0.000 2.483 93 Y HA 0.447 4.997 4.550 -0.000 0.000 0.258 93 Y C 0.712 176.647 175.900 0.059 0.000 1.083 93 Y CA -0.550 57.611 58.100 0.102 0.000 1.283 93 Y CB -0.137 38.452 38.460 0.216 0.000 1.178 93 Y HN 0.174 nan 8.280 nan 0.000 0.515 94 Q N 1.875 121.381 119.800 -0.490 0.000 2.259 94 Q HA 0.206 4.546 4.340 -0.000 0.000 0.246 94 Q C -0.333 175.479 176.000 -0.313 0.000 0.920 94 Q CA -0.487 55.081 55.803 -0.392 0.000 0.895 94 Q CB 0.604 29.050 28.738 -0.487 0.000 1.220 94 Q HN 0.359 nan 8.270 nan 0.000 0.439 95 N N 1.760 120.158 118.700 -0.504 0.000 2.735 95 N HA -0.193 4.547 4.740 -0.000 0.000 0.248 95 N C -1.230 174.047 175.510 -0.388 0.000 1.083 95 N CA 0.784 53.308 53.050 -0.876 0.000 0.703 95 N CB -1.147 37.071 38.487 -0.447 0.000 1.005 95 N HN 0.566 nan 8.380 nan 0.000 0.550 96 N N 0.029 118.611 118.700 -0.197 0.000 2.531 96 N HA 0.352 5.092 4.740 -0.000 0.000 0.268 96 N C -2.067 173.496 175.510 0.089 0.000 1.023 96 N CA -1.892 51.155 53.050 -0.004 0.000 0.896 96 N CB 1.519 40.014 38.487 0.013 0.000 1.233 96 N HN -0.183 nan 8.380 nan 0.000 0.512 97 P HA -0.004 nan 4.420 nan 0.000 0.223 97 P C 0.628 177.966 177.300 0.063 0.000 1.144 97 P CA 0.857 64.030 63.100 0.121 0.000 0.783 97 P CB 0.350 32.106 31.700 0.093 0.000 0.771 98 R N -0.942 119.579 120.500 0.036 0.000 2.334 98 R HA 0.194 4.534 4.340 -0.000 0.000 0.220 98 R C -0.086 176.192 176.300 -0.038 0.000 0.917 98 R CA 0.131 56.224 56.100 -0.011 0.000 1.073 98 R CB 0.017 30.297 30.300 -0.034 0.000 1.056 98 R HN 0.142 nan 8.270 nan 0.000 0.506 99 V N 0.108 120.030 119.914 0.014 0.000 2.487 99 V HA 0.648 4.768 4.120 -0.000 0.000 0.298 99 V C 0.430 176.567 176.094 0.071 0.000 1.028 99 V CA -0.782 61.530 62.300 0.020 0.000 0.860 99 V CB 1.830 33.721 31.823 0.113 0.000 0.991 99 V HN 0.307 nan 8.190 nan 0.000 0.427 100 G N 3.021 111.837 108.800 0.026 0.000 3.105 100 G HA2 0.841 4.801 3.960 -0.000 0.000 0.277 100 G HA3 0.841 4.801 3.960 -0.000 0.000 0.277 100 G C -1.789 173.152 174.900 0.068 0.000 1.375 100 G CA -0.768 44.350 45.100 0.030 0.000 0.962 100 G HN 0.730 nan 8.290 nan 0.000 0.541 101 L N -0.292 120.920 121.223 -0.019 0.000 2.505 101 L HA 0.699 5.039 4.340 -0.000 0.000 0.266 101 L C -1.614 175.167 176.870 -0.149 0.000 0.954 101 L CA -0.671 54.165 54.840 -0.007 0.000 0.852 101 L CB 1.731 43.811 42.059 0.034 0.000 1.282 101 L HN 0.437 nan 8.230 nan 0.000 0.403 102 I N 5.285 125.775 120.570 -0.133 0.000 2.476 102 I HA 0.787 4.957 4.170 -0.000 0.000 0.281 102 I C -0.512 175.579 176.117 -0.043 0.000 1.040 102 I CA -0.339 60.866 61.300 -0.158 0.000 1.094 102 I CB 1.794 39.682 38.000 -0.186 0.000 1.219 102 I HN 0.690 nan 8.210 nan 0.000 0.450 103 A N 4.342 127.162 122.820 0.000 0.000 2.566 103 A HA 0.932 5.252 4.320 -0.000 0.000 0.297 103 A C -0.731 176.885 177.584 0.053 0.000 1.059 103 A CA -0.417 51.633 52.037 0.022 0.000 0.691 103 A CB 1.790 20.798 19.000 0.015 0.000 1.282 103 A HN 0.767 nan 8.150 nan 0.000 0.401 104 G N -0.499 108.335 108.800 0.057 0.000 2.766 104 G HA2 0.730 4.690 3.960 -0.000 0.000 0.288 104 G HA3 0.730 4.690 3.960 -0.000 0.000 0.288 104 G C -0.913 174.026 174.900 0.066 0.000 1.408 104 G CA 0.140 45.283 45.100 0.071 0.000 0.852 104 G HN 1.380 nan 8.290 nan 0.000 0.487 105 S N -2.243 113.499 115.700 0.071 0.000 2.599 105 S HA 0.617 5.087 4.470 -0.000 0.000 0.287 105 S C 1.223 175.867 174.600 0.072 0.000 1.105 105 S CA 0.374 58.615 58.200 0.069 0.000 0.899 105 S CB 1.480 64.724 63.200 0.073 0.000 1.100 105 S HN 1.245 nan 8.310 nan 0.000 0.482 106 G N 1.125 109.966 108.800 0.068 0.000 2.430 106 G HA2 0.160 4.120 3.960 -0.000 0.000 0.216 106 G HA3 0.160 4.120 3.960 -0.000 0.000 0.216 106 G C 0.943 175.902 174.900 0.099 0.000 1.146 106 G CA 0.697 45.844 45.100 0.079 0.000 0.793 106 G HN 0.940 nan 8.290 nan 0.000 0.537 107 G N -1.284 107.576 108.800 0.101 0.000 3.079 107 G HA2 0.449 4.409 3.960 -0.000 0.000 0.233 107 G HA3 0.449 4.409 3.960 -0.000 0.000 0.233 107 G C 1.079 176.032 174.900 0.088 0.000 1.062 107 G CA 0.842 46.007 45.100 0.108 0.000 0.809 107 G HN 1.121 nan 8.290 nan 0.000 0.535 108 G N 0.298 109.147 108.800 0.082 0.000 2.543 108 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.286 108 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.286 108 G C 0.341 175.292 174.900 0.085 0.000 1.153 108 G CA 0.685 45.832 45.100 0.079 0.000 0.968 108 G HN 1.383 nan 8.290 nan 0.000 0.544 109 S N 1.499 117.258 115.700 0.097 0.000 2.383 109 S HA 0.641 5.111 4.470 -0.000 0.000 0.196 109 S C -1.270 173.383 174.600 0.088 0.000 1.364 109 S CA 0.052 58.323 58.200 0.118 0.000 1.212 109 S CB 1.670 64.999 63.200 0.216 0.000 1.171 109 S HN 0.301 nan 8.310 nan 0.000 0.456 110 P HA -0.142 nan 4.420 nan 0.000 0.216 110 P C 1.491 178.737 177.300 -0.091 0.000 1.150 110 P CA 0.796 63.882 63.100 -0.025 0.000 0.843 110 P CB 0.130 31.801 31.700 -0.049 0.000 0.787 111 R N -1.078 119.342 120.500 -0.133 0.000 2.073 111 R HA -0.124 4.216 4.340 -0.000 0.000 0.234 111 R C 1.843 177.975 176.300 -0.280 0.000 1.134 111 R CA 1.659 57.592 56.100 -0.279 0.000 0.952 111 R CB -0.886 29.203 30.300 -0.353 0.000 0.850 111 R HN 0.083 nan 8.270 nan 0.000 0.433 112 F N 0.561 120.528 119.950 0.029 0.000 2.367 112 F HA 0.050 4.577 4.527 -0.000 0.000 0.298 112 F C 2.475 178.366 175.800 0.152 0.000 1.094 112 F CA 0.810 58.874 58.000 0.107 0.000 1.409 112 F CB -0.208 38.822 39.000 0.049 0.000 1.064 112 F HN 0.123 nan 8.300 nan 0.000 0.528 113 Q N 0.194 120.115 119.800 0.201 0.000 2.050 113 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 113 Q C 2.281 178.332 176.000 0.084 0.000 0.980 113 Q CA 1.785 57.667 55.803 0.131 0.000 0.840 113 Q CB -0.374 28.410 28.738 0.077 0.000 0.898 113 Q HN 0.232 nan 8.270 nan 0.000 0.424 114 V N 0.362 120.295 119.914 0.031 0.000 2.343 114 V HA -0.220 3.900 4.120 -0.000 0.000 0.247 114 V C 1.909 178.021 176.094 0.030 0.000 1.051 114 V CA 1.800 64.101 62.300 0.001 0.000 1.036 114 V CB -0.741 31.035 31.823 -0.077 0.000 0.654 114 V HN 0.434 nan 8.190 nan 0.000 0.451 115 F N 2.186 122.096 119.950 -0.066 0.000 2.091 115 F HA -0.125 4.402 4.527 -0.000 0.000 0.299 115 F C 2.183 178.010 175.800 0.046 0.000 1.103 115 F CA 1.866 59.850 58.000 -0.028 0.000 1.228 115 F CB -0.929 38.026 39.000 -0.075 0.000 0.984 115 F HN 0.137 nan 8.300 nan 0.000 0.477 116 G N -0.274 108.545 108.800 0.032 0.000 2.446 116 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.217 116 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.217 116 G C 1.810 176.621 174.900 -0.148 0.000 1.168 116 G CA 1.029 46.095 45.100 -0.057 0.000 0.771 116 G HN 0.658 nan 8.290 nan 0.000 0.551 117 A N 0.866 123.639 122.820 -0.078 0.000 1.898 117 A HA -0.010 4.309 4.320 -0.000 0.000 0.216 117 A C 2.111 179.633 177.584 -0.102 0.000 1.181 117 A CA 2.082 54.080 52.037 -0.064 0.000 0.620 117 A CB -0.384 18.602 19.000 -0.022 0.000 0.819 117 A HN 0.278 nan 8.150 nan 0.000 0.442 118 D N 0.209 120.528 120.400 -0.134 0.000 2.117 118 D HA -0.046 4.594 4.640 -0.000 0.000 0.197 118 D C 2.236 178.417 176.300 -0.198 0.000 0.987 118 D CA 1.576 55.498 54.000 -0.129 0.000 0.829 118 D CB -0.458 40.285 40.800 -0.095 0.000 0.961 118 D HN 0.410 nan 8.370 nan 0.000 0.460 119 A N 0.626 123.214 122.820 -0.386 0.000 1.877 119 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 119 A C 2.149 179.616 177.584 -0.195 0.000 1.186 119 A CA 1.723 53.535 52.037 -0.375 0.000 0.620 119 A CB -0.562 18.032 19.000 -0.677 0.000 0.822 119 A HN 0.159 nan 8.150 nan 0.000 0.443 120 M N -0.080 119.420 119.600 -0.167 0.000 2.149 120 M HA -0.105 4.375 4.480 -0.000 0.000 0.261 120 M C 1.883 178.144 176.300 -0.064 0.000 1.064 120 M CA 1.570 56.816 55.300 -0.090 0.000 1.102 120 M CB -0.435 32.126 32.600 -0.066 0.000 1.369 120 M HN 0.365 nan 8.290 nan 0.000 0.408 121 R N -0.169 120.291 120.500 -0.067 0.000 2.307 121 R HA 0.162 4.502 4.340 -0.000 0.000 0.199 121 R C 1.079 177.357 176.300 -0.037 0.000 1.000 121 R CA 0.378 56.453 56.100 -0.042 0.000 1.023 121 R CB -0.382 29.898 30.300 -0.034 0.000 0.908 121 R HN 0.485 nan 8.270 nan 0.000 0.473 122 G N 0.814 109.585 108.800 -0.048 0.000 2.543 122 G HA2 0.153 4.113 3.960 -0.000 0.000 0.290 122 G HA3 0.153 4.113 3.960 -0.000 0.000 0.290 122 G C -1.678 173.206 174.900 -0.026 0.000 1.310 122 G CA -1.006 44.074 45.100 -0.034 0.000 1.025 122 G HN -0.082 nan 8.290 nan 0.000 0.502 123 P HA 0.003 nan 4.420 nan 0.000 0.226 123 P C 1.180 178.473 177.300 -0.011 0.000 1.153 123 P CA 0.690 63.783 63.100 -0.011 0.000 0.777 123 P CB 0.339 32.036 31.700 -0.005 0.000 0.794 124 R N -0.866 119.626 120.500 -0.013 0.000 2.312 124 R HA 0.225 4.565 4.340 -0.000 0.000 0.205 124 R C 1.674 177.964 176.300 -0.016 0.000 0.904 124 R CA 0.486 56.580 56.100 -0.010 0.000 1.052 124 R CB -0.346 29.953 30.300 -0.002 0.000 1.014 124 R HN 0.134 nan 8.270 nan 0.000 0.503 125 G N 2.126 110.910 108.800 -0.027 0.000 2.685 125 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.329 125 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.329 125 G C 0.870 175.752 174.900 -0.030 0.000 1.271 125 G CA 0.649 45.730 45.100 -0.031 0.000 1.003 125 G HN 0.221 nan 8.290 nan 0.000 0.549 126 L N 0.640 121.851 121.223 -0.020 0.000 2.079 126 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 126 L C 3.021 179.885 176.870 -0.010 0.000 1.081 126 L CA 2.236 57.067 54.840 -0.016 0.000 0.752 126 L CB -0.510 41.541 42.059 -0.014 0.000 0.896 126 L HN 0.525 nan 8.230 nan 0.000 0.433 127 K N 0.030 120.426 120.400 -0.007 0.000 2.148 127 K HA -0.078 4.242 4.320 -0.000 0.000 0.204 127 K C 2.222 178.835 176.600 0.021 0.000 1.050 127 K CA 1.213 57.501 56.287 0.002 0.000 0.942 127 K CB -0.198 32.303 32.500 0.003 0.000 0.724 127 K HN 0.284 nan 8.250 nan 0.000 0.446 128 A N 1.175 124.002 122.820 0.011 0.000 1.968 128 A HA -0.064 4.256 4.320 -0.000 0.000 0.217 128 A C 2.362 179.978 177.584 0.052 0.000 1.169 128 A CA 0.937 52.989 52.037 0.026 0.000 0.638 128 A CB -0.434 18.550 19.000 -0.028 0.000 0.812 128 A HN 0.040 nan 8.150 nan 0.000 0.446 129 V N -0.481 119.438 119.914 0.007 0.000 2.295 129 V HA 0.155 4.275 4.120 -0.000 0.000 0.246 129 V C 1.699 177.903 176.094 0.184 0.000 1.049 129 V CA 1.222 63.556 62.300 0.057 0.000 1.024 129 V CB -1.916 29.915 31.823 0.013 0.000 0.648 129 V HN 1.216 nan 8.190 nan 0.000 0.447 130 G N 0.498 109.343 108.800 0.075 0.000 2.829 130 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.628 130 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.628 130 G C -1.577 173.264 174.900 -0.098 0.000 1.412 130 G CA -0.048 45.052 45.100 0.001 0.000 0.864 130 G HN 0.341 nan 8.290 nan 0.000 0.544 131 P HA 0.214 nan 4.420 nan 0.000 0.262 131 P C 0.254 177.269 177.300 -0.474 0.000 1.304 131 P CA 0.719 63.560 63.100 -0.431 0.000 0.859 131 P CB 0.033 31.397 31.700 -0.560 0.000 1.310 132 Y N -1.488 118.794 120.300 -0.030 0.000 2.467 132 Y HA 0.124 4.674 4.550 -0.000 0.000 0.250 132 Y C 2.173 178.051 175.900 -0.036 0.000 1.155 132 Y CA -0.192 57.861 58.100 -0.077 0.000 1.249 132 Y CB -0.399 37.899 38.460 -0.269 0.000 1.146 132 Y HN -0.271 nan 8.280 nan 0.000 0.524 133 V N -1.297 118.696 119.914 0.132 0.000 2.548 133 V HA -0.187 3.933 4.120 -0.000 0.000 0.249 133 V C 2.070 178.237 176.094 0.122 0.000 1.055 133 V CA 1.338 63.728 62.300 0.150 0.000 1.065 133 V CB -0.581 31.386 31.823 0.240 0.000 0.681 133 V HN 0.231 nan 8.190 nan 0.000 0.462 134 V N 1.242 121.221 119.914 0.108 0.000 2.295 134 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 134 V C 2.808 178.957 176.094 0.092 0.000 1.049 134 V CA 2.628 64.983 62.300 0.093 0.000 1.024 134 V CB -1.321 30.547 31.823 0.076 0.000 0.648 134 V HN 0.808 nan 8.190 nan 0.000 0.447 135 T N -2.056 112.571 114.554 0.120 0.000 2.951 135 T HA -0.133 4.217 4.350 -0.000 0.000 0.268 135 T C 1.767 176.501 174.700 0.057 0.000 1.073 135 T CA 1.081 63.245 62.100 0.107 0.000 1.134 135 T CB -0.239 68.747 68.868 0.197 0.000 0.884 135 T HN 0.460 nan 8.240 nan 0.000 0.479 136 K N 1.345 121.752 120.400 0.011 0.000 2.062 136 K HA 0.229 4.549 4.320 -0.000 0.000 0.205 136 K C 2.542 179.166 176.600 0.041 0.000 1.051 136 K CA 1.245 57.479 56.287 -0.088 0.000 0.941 136 K CB -0.207 32.068 32.500 -0.376 0.000 0.719 136 K HN 0.449 nan 8.250 nan 0.000 0.440 137 A N 1.523 124.400 122.820 0.095 0.000 2.220 137 A HA 0.127 4.447 4.320 -0.000 0.000 0.211 137 A C 1.102 178.740 177.584 0.090 0.000 1.176 137 A CA -0.276 51.836 52.037 0.125 0.000 0.834 137 A CB -0.277 18.818 19.000 0.157 0.000 0.868 137 A HN 0.290 nan 8.150 nan 0.000 0.488 138 M N -1.918 117.726 119.600 0.074 0.000 2.240 138 M HA 0.564 5.044 4.480 -0.000 0.000 0.333 138 M C 1.006 177.344 176.300 0.063 0.000 1.110 138 M CA 0.345 55.683 55.300 0.064 0.000 1.173 138 M CB 0.608 33.242 32.600 0.056 0.000 1.458 138 M HN 0.022 nan 8.290 nan 0.000 0.458 139 A N 1.698 124.553 122.820 0.060 0.000 1.978 139 A HA -0.124 4.196 4.320 -0.000 0.000 0.220 139 A C 2.029 179.652 177.584 0.065 0.000 1.170 139 A CA 2.139 54.213 52.037 0.062 0.000 0.636 139 A CB -1.017 18.017 19.000 0.056 0.000 0.810 139 A HN 1.006 nan 8.150 nan 0.000 0.448 140 S N -0.954 114.784 115.700 0.063 0.000 2.614 140 S HA 0.321 4.791 4.470 -0.000 0.000 0.230 140 S C 1.622 176.259 174.600 0.063 0.000 0.952 140 S CA 0.597 58.839 58.200 0.071 0.000 0.949 140 S CB -0.293 62.952 63.200 0.075 0.000 0.786 140 S HN 0.602 nan 8.310 nan 0.000 0.478 141 G N 2.202 111.036 108.800 0.057 0.000 2.513 141 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.219 141 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.219 141 G C 1.299 176.230 174.900 0.053 0.000 1.160 141 G CA 1.276 46.405 45.100 0.048 0.000 0.767 141 G HN 0.486 nan 8.290 nan 0.000 0.571 142 V N 1.678 121.629 119.914 0.061 0.000 2.343 142 V HA -0.216 3.904 4.120 -0.000 0.000 0.247 142 V C 3.253 179.392 176.094 0.076 0.000 1.051 142 V CA 2.490 64.832 62.300 0.071 0.000 1.036 142 V CB -0.413 31.452 31.823 0.070 0.000 0.654 142 V HN 0.645 nan 8.190 nan 0.000 0.451 143 S N 0.701 116.442 115.700 0.069 0.000 2.362 143 S HA -0.026 4.444 4.470 -0.000 0.000 0.221 143 S C 2.184 176.823 174.600 0.064 0.000 1.032 143 S CA 0.990 59.227 58.200 0.062 0.000 0.973 143 S CB -0.575 62.661 63.200 0.060 0.000 0.849 143 S HN 0.533 nan 8.310 nan 0.000 0.465 144 A N 1.055 123.907 122.820 0.053 0.000 1.892 144 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 144 A C 2.403 179.999 177.584 0.020 0.000 1.188 144 A CA 1.811 53.865 52.037 0.028 0.000 0.631 144 A CB -1.590 17.417 19.000 0.013 0.000 0.822 144 A HN 0.700 nan 8.150 nan 0.000 0.447 145 C N -1.349 117.974 119.300 0.039 0.000 2.472 145 C HA 0.171 4.631 4.460 -0.000 0.000 0.278 145 C C 2.310 177.384 174.990 0.141 0.000 1.447 145 C CA 0.641 59.685 59.018 0.044 0.000 1.773 145 C CB -1.276 26.490 27.740 0.043 0.000 1.793 145 C HN 0.533 nan 8.230 nan 0.000 0.544 146 L N 0.560 121.897 121.223 0.191 0.000 2.269 146 L HA 0.244 4.584 4.340 -0.000 0.000 0.200 146 L C 2.668 179.715 176.870 0.296 0.000 1.069 146 L CA 1.717 56.759 54.840 0.337 0.000 0.804 146 L CB -1.311 40.904 42.059 0.260 0.000 0.987 146 L HN 0.157 nan 8.230 nan 0.000 0.468 147 A N -0.976 121.942 122.820 0.162 0.000 1.933 147 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 147 A C 2.316 179.979 177.584 0.133 0.000 1.175 147 A CA 2.385 54.506 52.037 0.140 0.000 0.628 147 A CB -0.967 18.084 19.000 0.085 0.000 0.814 147 A HN 0.417 nan 8.150 nan 0.000 0.444 148 T N 0.349 114.950 114.554 0.078 0.000 2.668 148 T HA -0.063 4.287 4.350 -0.000 0.000 0.262 148 T C -0.144 174.571 174.700 0.024 0.000 1.045 148 T CA 1.680 63.796 62.100 0.026 0.000 1.152 148 T CB -0.976 67.856 68.868 -0.060 0.000 0.864 148 T HN 0.495 nan 8.240 nan 0.000 0.419 149 P HA 0.037 nan 4.420 nan 0.000 0.222 149 P C 0.808 178.031 177.300 -0.128 0.000 1.153 149 P CA 0.927 63.982 63.100 -0.074 0.000 0.798 149 P CB -0.252 31.395 31.700 -0.088 0.000 0.796 150 F N 0.786 120.773 119.950 0.062 0.000 2.811 150 F HA 0.123 4.650 4.527 -0.000 0.000 0.301 150 F C 1.017 176.845 175.800 0.046 0.000 1.151 150 F CA 0.363 58.391 58.000 0.047 0.000 1.412 150 F CB -0.430 38.536 39.000 -0.056 0.000 1.113 150 F HN -0.177 nan 8.300 nan 0.000 0.579 151 K N 0.151 120.639 120.400 0.146 0.000 3.125 151 K HA -0.194 4.126 4.320 -0.000 0.000 0.268 151 K C -0.395 176.250 176.600 0.075 0.000 1.078 151 K CA 0.286 56.612 56.287 0.065 0.000 0.775 151 K CB -2.416 30.050 32.500 -0.057 0.000 1.253 151 K HN 0.181 nan 8.250 nan 0.000 0.486 152 I N 1.254 121.933 120.570 0.182 0.000 2.496 152 I HA 0.038 4.208 4.170 -0.000 0.000 0.285 152 I C 1.987 178.287 176.117 0.306 0.000 1.080 152 I CA 0.284 61.704 61.300 0.200 0.000 1.404 152 I CB 0.423 38.531 38.000 0.180 0.000 1.403 152 I HN 0.248 nan 8.210 nan 0.000 0.539 153 H N 3.295 122.405 119.070 0.067 0.000 2.740 153 H HA 0.158 4.714 4.556 -0.000 0.000 0.265 153 H C 1.382 176.728 175.328 0.031 0.000 0.978 153 H CA 0.052 56.124 56.048 0.040 0.000 1.198 153 H CB 1.326 31.106 29.762 0.032 0.000 1.467 153 H HN 0.770 nan 8.280 nan 0.000 0.511 154 G N 1.106 109.994 108.800 0.146 0.000 2.735 154 G HA2 0.205 4.165 3.960 -0.000 0.000 0.192 154 G HA3 0.205 4.165 3.960 -0.000 0.000 0.192 154 G C 0.194 175.112 174.900 0.029 0.000 1.547 154 G CA 0.107 45.248 45.100 0.068 0.000 1.080 154 G HN 0.125 nan 8.290 nan 0.000 0.569 155 V N -0.747 119.154 119.914 -0.022 0.000 2.999 155 V HA 0.454 4.574 4.120 -0.000 0.000 0.307 155 V C -0.217 175.784 176.094 -0.155 0.000 1.084 155 V CA -0.281 61.964 62.300 -0.092 0.000 1.155 155 V CB 1.185 32.884 31.823 -0.206 0.000 0.975 155 V HN 0.759 nan 8.190 nan 0.000 0.490 156 N N 3.101 121.698 118.700 -0.171 0.000 2.629 156 N HA 0.495 5.235 4.740 -0.000 0.000 0.277 156 N C -1.264 174.237 175.510 -0.015 0.000 1.188 156 N CA -0.575 52.410 53.050 -0.108 0.000 0.835 156 N CB 1.170 39.666 38.487 0.014 0.000 1.420 156 N HN 1.013 nan 8.380 nan 0.000 0.542 157 Y N -0.979 119.343 120.300 0.036 0.000 2.741 157 Y HA 0.655 5.205 4.550 -0.000 0.000 0.339 157 Y C -1.227 174.692 175.900 0.032 0.000 1.226 157 Y CA -1.173 56.944 58.100 0.030 0.000 1.072 157 Y CB 0.265 38.739 38.460 0.023 0.000 1.331 157 Y HN 0.110 nan 8.280 nan 0.000 0.453 158 S N 1.999 117.885 115.700 0.310 0.000 2.509 158 S HA 0.712 5.182 4.470 -0.000 0.000 0.297 158 S C -0.748 173.998 174.600 0.242 0.000 1.118 158 S CA -0.721 57.604 58.200 0.209 0.000 1.074 158 S CB 0.884 64.162 63.200 0.130 0.000 1.038 158 S HN 0.468 nan 8.310 nan 0.000 0.498 159 I N 2.152 122.840 120.570 0.196 0.000 2.428 159 I HA 0.469 4.639 4.170 -0.000 0.000 0.296 159 I C 0.413 176.596 176.117 0.109 0.000 0.985 159 I CA -0.288 61.096 61.300 0.141 0.000 1.260 159 I CB 1.420 39.512 38.000 0.154 0.000 1.389 159 I HN 0.500 nan 8.210 nan 0.000 0.484 160 S N 3.202 118.950 115.700 0.081 0.000 2.532 160 S HA 0.622 5.092 4.470 -0.000 0.000 0.299 160 S C -0.231 174.416 174.600 0.080 0.000 1.105 160 S CA -0.378 57.872 58.200 0.083 0.000 1.018 160 S CB 0.910 64.153 63.200 0.072 0.000 1.021 160 S HN 0.710 nan 8.310 nan 0.000 0.483 161 S N 2.831 118.600 115.700 0.115 0.000 2.646 161 S HA 0.617 5.087 4.470 -0.000 0.000 0.217 161 S C 0.589 175.272 174.600 0.138 0.000 0.836 161 S CA 0.060 58.342 58.200 0.137 0.000 1.094 161 S CB -0.227 63.111 63.200 0.229 0.000 1.557 161 S HN 1.893 nan 8.310 nan 0.000 0.449 162 A N 0.686 123.569 122.820 0.105 0.000 5.391 162 A HA -0.327 3.993 4.320 -0.000 0.000 0.315 162 A C 1.585 179.191 177.584 0.036 0.000 1.874 162 A CA 1.161 53.242 52.037 0.075 0.000 0.714 162 A CB -2.090 16.962 19.000 0.088 0.000 1.335 162 A HN 1.396 nan 8.150 nan 0.000 0.382 163 C N 0.485 119.777 119.300 -0.013 0.000 2.511 163 C HA 0.423 4.882 4.460 -0.000 0.000 0.277 163 C C 2.599 177.602 174.990 0.022 0.000 1.451 163 C CA 0.925 59.957 59.018 0.023 0.000 1.735 163 C CB -1.807 25.980 27.740 0.079 0.000 1.704 163 C HN 1.266 nan 8.230 nan 0.000 0.571 164 A N -0.192 122.636 122.820 0.013 0.000 2.348 164 A HA 0.109 4.429 4.320 -0.000 0.000 0.224 164 A C 1.950 179.554 177.584 0.034 0.000 1.227 164 A CA 0.770 52.782 52.037 -0.041 0.000 0.885 164 A CB -0.537 18.464 19.000 0.002 0.000 0.933 164 A HN 0.433 nan 8.150 nan 0.000 0.506 165 T N 1.372 115.981 114.554 0.091 0.000 2.565 165 T HA -0.234 4.116 4.350 -0.000 0.000 0.265 165 T C 2.262 177.010 174.700 0.079 0.000 1.082 165 T CA 2.574 64.746 62.100 0.120 0.000 1.173 165 T CB -0.391 68.527 68.868 0.083 0.000 0.864 165 T HN 0.788 nan 8.240 nan 0.000 0.425 166 S N 1.227 116.935 115.700 0.015 0.000 2.489 166 S HA 0.277 4.747 4.470 -0.000 0.000 0.228 166 S C 2.264 176.825 174.600 -0.065 0.000 0.995 166 S CA 0.643 58.833 58.200 -0.017 0.000 0.934 166 S CB -0.315 62.864 63.200 -0.036 0.000 0.771 166 S HN 0.522 nan 8.310 nan 0.000 0.522 167 A N 2.399 125.157 122.820 -0.104 0.000 1.872 167 A HA -0.071 4.249 4.320 -0.000 0.000 0.214 167 A C 2.130 179.615 177.584 -0.165 0.000 1.187 167 A CA 1.250 53.185 52.037 -0.170 0.000 0.614 167 A CB -0.991 17.867 19.000 -0.236 0.000 0.826 167 A HN 0.627 nan 8.150 nan 0.000 0.442 168 H N -0.711 118.363 119.070 0.008 0.000 2.423 168 H HA -0.123 4.433 4.556 -0.000 0.000 0.297 168 H C 2.401 177.698 175.328 -0.051 0.000 1.075 168 H CA 1.395 57.468 56.048 0.040 0.000 1.342 168 H CB -0.595 29.236 29.762 0.115 0.000 1.395 168 H HN 0.540 nan 8.280 nan 0.000 0.530 169 C N 0.762 120.106 119.300 0.073 0.000 2.413 169 C HA -0.143 4.317 4.460 -0.000 0.000 0.276 169 C C 3.006 177.940 174.990 -0.093 0.000 1.236 169 C CA 0.670 59.696 59.018 0.013 0.000 1.735 169 C CB -1.143 26.601 27.740 0.007 0.000 2.031 169 C HN 0.433 nan 8.230 nan 0.000 0.474 170 I N 1.118 121.597 120.570 -0.152 0.000 2.179 170 I HA -0.121 4.049 4.170 -0.000 0.000 0.242 170 I C 2.737 178.638 176.117 -0.359 0.000 1.088 170 I CA 1.861 63.031 61.300 -0.216 0.000 1.357 170 I CB -0.937 36.943 38.000 -0.201 0.000 1.051 170 I HN 0.454 nan 8.210 nan 0.000 0.409 171 G N 0.324 108.734 108.800 -0.650 0.000 2.418 171 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.217 171 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.217 171 G C 1.445 175.935 174.900 -0.685 0.000 1.158 171 G CA 0.847 45.082 45.100 -1.442 0.000 0.771 171 G HN 0.426 nan 8.290 nan 0.000 0.545 172 N N 0.860 119.396 118.700 -0.272 0.000 2.223 172 N HA -0.081 4.659 4.740 -0.000 0.000 0.185 172 N C 2.517 178.003 175.510 -0.041 0.000 1.016 172 N CA 0.957 54.000 53.050 -0.012 0.000 0.863 172 N CB -0.103 38.456 38.487 0.121 0.000 0.983 172 N HN 0.265 nan 8.380 nan 0.000 0.429 173 A N 0.737 123.491 122.820 -0.110 0.000 1.902 173 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 173 A C 2.398 179.918 177.584 -0.107 0.000 1.181 173 A CA 1.120 53.088 52.037 -0.114 0.000 0.623 173 A CB -0.766 18.148 19.000 -0.142 0.000 0.818 173 A HN 0.182 nan 8.150 nan 0.000 0.443 174 V N 0.286 120.120 119.914 -0.134 0.000 2.332 174 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 174 V C 2.396 178.475 176.094 -0.026 0.000 1.055 174 V CA 2.375 64.622 62.300 -0.089 0.000 1.038 174 V CB -0.906 30.856 31.823 -0.101 0.000 0.651 174 V HN 0.656 nan 8.190 nan 0.000 0.450 175 E N -0.560 119.643 120.200 0.005 0.000 2.110 175 E HA -0.245 4.105 4.350 -0.000 0.000 0.193 175 E C 2.375 178.994 176.600 0.030 0.000 0.988 175 E CA 1.107 57.540 56.400 0.056 0.000 0.804 175 E CB -0.167 29.599 29.700 0.110 0.000 0.745 175 E HN 0.566 nan 8.360 nan 0.000 0.458 176 Q N 0.230 120.036 119.800 0.010 0.000 2.124 176 Q HA -0.161 4.179 4.340 -0.000 0.000 0.202 176 Q C 2.265 178.253 176.000 -0.021 0.000 0.977 176 Q CA 1.009 56.811 55.803 -0.001 0.000 0.850 176 Q CB -0.211 28.513 28.738 -0.024 0.000 0.901 176 Q HN 0.287 nan 8.270 nan 0.000 0.429 177 I N 1.128 121.674 120.570 -0.039 0.000 2.179 177 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 177 I C 2.368 178.474 176.117 -0.018 0.000 1.088 177 I CA 1.392 62.665 61.300 -0.045 0.000 1.357 177 I CB -0.549 37.414 38.000 -0.062 0.000 1.051 177 I HN 0.209 nan 8.210 nan 0.000 0.409 178 Q N -0.320 119.479 119.800 -0.002 0.000 2.119 178 Q HA -0.093 4.247 4.340 -0.000 0.000 0.201 178 Q C 2.109 178.118 176.000 0.014 0.000 0.972 178 Q CA 1.101 56.911 55.803 0.012 0.000 0.847 178 Q CB -0.195 28.561 28.738 0.030 0.000 0.903 178 Q HN 0.454 nan 8.270 nan 0.000 0.433 179 L N -0.531 120.701 121.223 0.016 0.000 2.610 179 L HA 0.053 4.393 4.340 -0.000 0.000 0.232 179 L C 1.203 178.078 176.870 0.009 0.000 1.149 179 L CA 0.470 55.321 54.840 0.017 0.000 0.872 179 L CB -0.255 41.819 42.059 0.024 0.000 0.992 179 L HN 0.425 nan 8.230 nan 0.000 0.447 180 G N -0.026 108.775 108.800 0.001 0.000 2.155 180 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.257 180 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.257 180 G C 1.051 175.947 174.900 -0.007 0.000 0.983 180 G CA 0.623 45.721 45.100 -0.003 0.000 0.676 180 G HN 0.403 nan 8.290 nan 0.000 0.528 181 K N -0.868 119.529 120.400 -0.006 0.000 2.243 181 K HA 0.110 4.430 4.320 -0.000 0.000 0.201 181 K C 0.914 177.503 176.600 -0.019 0.000 1.051 181 K CA 0.775 57.060 56.287 -0.003 0.000 0.970 181 K CB 0.078 32.584 32.500 0.011 0.000 0.755 181 K HN 0.417 nan 8.250 nan 0.000 0.465 182 Q N -0.320 119.454 119.800 -0.043 0.000 2.421 182 Q HA 0.136 4.476 4.340 -0.000 0.000 0.280 182 Q C -0.553 175.375 176.000 -0.120 0.000 1.085 182 Q CA -0.349 55.409 55.803 -0.076 0.000 0.807 182 Q CB 2.022 30.709 28.738 -0.085 0.000 1.405 182 Q HN -0.051 nan 8.270 nan 0.000 0.419 183 D N 0.328 120.616 120.400 -0.187 0.000 2.277 183 D HA 0.256 4.896 4.640 -0.000 0.000 0.209 183 D C 0.246 176.321 176.300 -0.374 0.000 0.970 183 D CA 0.877 54.680 54.000 -0.328 0.000 0.874 183 D CB 1.180 41.646 40.800 -0.557 0.000 0.982 183 D HN 0.367 nan 8.370 nan 0.000 0.504 184 I N 0.677 121.052 120.570 -0.325 0.000 2.607 184 I HA 0.226 4.396 4.170 -0.000 0.000 0.290 184 I C -1.203 174.708 176.117 -0.343 0.000 1.129 184 I CA -0.762 60.316 61.300 -0.370 0.000 1.042 184 I CB 3.284 41.022 38.000 -0.437 0.000 1.242 184 I HN -0.415 nan 8.210 nan 0.000 0.421 185 V N 5.867 125.559 119.914 -0.370 0.000 2.483 185 V HA 0.398 4.518 4.120 -0.000 0.000 0.297 185 V C -0.567 175.295 176.094 -0.386 0.000 1.027 185 V CA -0.626 61.496 62.300 -0.298 0.000 0.855 185 V CB 1.622 33.334 31.823 -0.186 0.000 0.995 185 V HN 0.366 nan 8.190 nan 0.000 0.424 186 F N 3.421 123.267 119.950 -0.173 0.000 2.472 186 F HA 0.615 5.142 4.527 -0.000 0.000 0.364 186 F C 0.768 176.465 175.800 -0.172 0.000 1.090 186 F CA 0.142 58.022 58.000 -0.200 0.000 1.188 186 F CB 0.871 39.712 39.000 -0.265 0.000 1.105 186 F HN 0.579 nan 8.300 nan 0.000 0.536 187 A N 2.436 125.246 122.820 -0.017 0.000 2.414 187 A HA 0.926 5.246 4.320 -0.000 0.000 0.306 187 A C 0.002 177.554 177.584 -0.053 0.000 1.054 187 A CA 0.124 52.130 52.037 -0.053 0.000 0.724 187 A CB 1.516 20.456 19.000 -0.100 0.000 1.267 187 A HN 1.048 nan 8.150 nan 0.000 0.418 188 G N -0.141 108.633 108.800 -0.042 0.000 2.564 188 G HA2 0.703 4.663 3.960 -0.000 0.000 0.139 188 G HA3 0.703 4.663 3.960 -0.000 0.000 0.139 188 G C -0.058 174.832 174.900 -0.017 0.000 1.147 188 G CA 0.493 45.565 45.100 -0.046 0.000 1.031 188 G HN 2.343 nan 8.290 nan 0.000 0.482 189 G N -1.993 106.803 108.800 -0.007 0.000 2.342 189 G HA2 0.805 4.765 3.960 -0.000 0.000 0.297 189 G HA3 0.805 4.765 3.960 -0.000 0.000 0.297 189 G C -0.604 174.324 174.900 0.047 0.000 1.313 189 G CA 0.647 45.761 45.100 0.023 0.000 0.830 189 G HN 2.056 nan 8.290 nan 0.000 0.506 190 G N -1.228 107.615 108.800 0.072 0.000 2.704 190 G HA2 0.664 4.624 3.960 -0.000 0.000 0.293 190 G HA3 0.664 4.624 3.960 -0.000 0.000 0.293 190 G C -1.969 173.004 174.900 0.122 0.000 1.421 190 G CA -0.328 44.847 45.100 0.125 0.000 0.870 190 G HN 0.678 nan 8.290 nan 0.000 0.492 191 E N -0.123 120.186 120.200 0.183 0.000 2.311 191 E HA 0.340 4.690 4.350 -0.000 0.000 0.281 191 E C -0.146 176.584 176.600 0.216 0.000 0.905 191 E CA -0.686 55.798 56.400 0.141 0.000 0.778 191 E CB 1.478 31.221 29.700 0.072 0.000 1.240 191 E HN 0.712 nan 8.360 nan 0.000 0.410 192 E N 3.180 123.463 120.200 0.137 0.000 2.371 192 E HA 0.349 4.699 4.350 -0.000 0.000 0.257 192 E C -0.776 175.887 176.600 0.106 0.000 1.134 192 E CA -0.750 55.725 56.400 0.126 0.000 0.919 192 E CB 1.057 30.780 29.700 0.039 0.000 1.025 192 E HN 0.254 nan 8.360 nan 0.000 0.438 193 L N 2.456 123.722 121.223 0.072 0.000 2.343 193 L HA 0.456 4.796 4.340 -0.000 0.000 0.278 193 L C -1.364 175.544 176.870 0.062 0.000 0.996 193 L CA -0.361 54.484 54.840 0.009 0.000 0.831 193 L CB 0.916 42.850 42.059 -0.207 0.000 1.232 193 L HN 0.928 nan 8.230 nan 0.000 0.413 194 C N 2.200 121.601 119.300 0.169 0.000 3.284 194 C HA 0.402 4.862 4.460 -0.000 0.000 0.338 194 C C 1.070 176.164 174.990 0.173 0.000 1.237 194 C CA -1.007 58.106 59.018 0.159 0.000 1.276 194 C CB 0.521 28.220 27.740 -0.068 0.000 1.601 194 C HN 1.065 nan 8.230 nan 0.000 0.494 195 W N 1.179 122.594 121.300 0.192 0.000 2.374 195 W HA -0.022 4.638 4.660 -0.000 0.000 0.288 195 W C 1.037 177.624 176.519 0.114 0.000 1.218 195 W CA 1.972 59.392 57.345 0.125 0.000 1.245 195 W CB -1.021 28.473 29.460 0.057 0.000 1.126 195 W HN 0.886 nan 8.180 nan 0.000 0.545 196 E N 0.810 120.399 120.200 -1.017 0.000 2.097 196 E HA -0.257 4.093 4.350 -0.000 0.000 0.196 196 E C 2.349 178.793 176.600 -0.261 0.000 1.000 196 E CA 2.673 58.493 56.400 -0.967 0.000 0.804 196 E CB -0.681 28.463 29.700 -0.925 0.000 0.740 196 E HN 0.362 nan 8.360 nan 0.000 0.454 197 M N -0.548 118.997 119.600 -0.092 0.000 2.325 197 M HA 0.098 4.578 4.480 -0.000 0.000 0.265 197 M C 2.063 178.528 176.300 0.276 0.000 1.094 197 M CA 1.223 56.586 55.300 0.105 0.000 1.161 197 M CB 0.135 32.826 32.600 0.152 0.000 1.358 197 M HN 0.154 nan 8.290 nan 0.000 0.446 198 A N 0.208 123.189 122.820 0.269 0.000 1.972 198 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 198 A C 2.291 180.073 177.584 0.329 0.000 1.169 198 A CA 1.656 53.899 52.037 0.344 0.000 0.635 198 A CB -1.659 17.509 19.000 0.279 0.000 0.810 198 A HN 0.869 nan 8.150 nan 0.000 0.446 199 C N -0.634 118.834 119.300 0.280 0.000 2.419 199 C HA -0.016 4.444 4.460 -0.000 0.000 0.283 199 C C 2.090 177.186 174.990 0.176 0.000 1.373 199 C CA 0.918 60.082 59.018 0.243 0.000 1.781 199 C CB -1.455 26.470 27.740 0.309 0.000 1.886 199 C HN 0.652 nan 8.230 nan 0.000 0.520 200 E N 0.434 120.722 120.200 0.147 0.000 2.106 200 E HA -0.075 4.275 4.350 -0.000 0.000 0.192 200 E C 1.732 178.314 176.600 -0.030 0.000 0.984 200 E CA 1.365 57.770 56.400 0.010 0.000 0.806 200 E CB -0.298 29.337 29.700 -0.108 0.000 0.750 200 E HN 0.779 nan 8.360 nan 0.000 0.458 201 F N 1.128 121.154 119.950 0.126 0.000 2.206 201 F HA -0.110 4.417 4.527 -0.000 0.000 0.298 201 F C 2.208 178.031 175.800 0.038 0.000 1.090 201 F CA 0.896 58.973 58.000 0.129 0.000 1.323 201 F CB -0.064 39.009 39.000 0.121 0.000 1.028 201 F HN -0.044 nan 8.300 nan 0.000 0.492 202 D N 0.349 120.868 120.400 0.198 0.000 2.144 202 D HA -0.136 4.504 4.640 -0.000 0.000 0.199 202 D C 2.220 178.566 176.300 0.076 0.000 0.984 202 D CA 1.214 55.271 54.000 0.096 0.000 0.834 202 D CB -0.181 40.674 40.800 0.092 0.000 0.955 202 D HN 0.172 nan 8.370 nan 0.000 0.465 203 A N 0.585 123.452 122.820 0.079 0.000 2.067 203 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 203 A C 2.188 179.792 177.584 0.034 0.000 1.158 203 A CA 1.437 53.503 52.037 0.049 0.000 0.661 203 A CB -0.743 18.284 19.000 0.044 0.000 0.801 203 A HN 0.503 nan 8.150 nan 0.000 0.452 204 M N -3.004 116.623 119.600 0.044 0.000 2.495 204 M HA 0.423 4.903 4.480 -0.000 0.000 0.237 204 M C 1.074 177.410 176.300 0.059 0.000 1.131 204 M CA 0.778 56.100 55.300 0.037 0.000 1.032 204 M CB 0.009 32.617 32.600 0.014 0.000 1.513 204 M HN 0.577 nan 8.290 nan 0.000 0.488 205 G N 0.761 109.597 108.800 0.061 0.000 2.147 205 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.244 205 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.244 205 G C 0.742 175.684 174.900 0.069 0.000 1.005 205 G CA 0.344 45.475 45.100 0.051 0.000 0.713 205 G HN 0.760 nan 8.290 nan 0.000 0.515 206 A N -0.917 121.961 122.820 0.096 0.000 2.132 206 A HA 0.645 4.965 4.320 -0.000 0.000 0.213 206 A C 1.256 178.737 177.584 -0.171 0.000 1.154 206 A CA 0.719 52.832 52.037 0.126 0.000 0.753 206 A CB 0.143 19.397 19.000 0.423 0.000 0.826 206 A HN 0.638 nan 8.150 nan 0.000 0.469 207 L N 0.080 121.160 121.223 -0.239 0.000 2.343 207 L HA 0.337 4.677 4.340 -0.000 0.000 0.275 207 L C 0.690 177.484 176.870 -0.125 0.000 1.056 207 L CA -0.570 54.058 54.840 -0.353 0.000 0.804 207 L CB 1.569 43.463 42.059 -0.274 0.000 1.203 207 L HN 0.165 nan 8.230 nan 0.000 0.440 208 S N 0.322 115.978 115.700 -0.074 0.000 2.549 208 S HA 0.089 4.559 4.470 -0.000 0.000 0.286 208 S C 0.830 175.433 174.600 0.005 0.000 1.314 208 S CA 0.217 58.441 58.200 0.040 0.000 1.062 208 S CB 0.394 63.667 63.200 0.121 0.000 0.865 208 S HN 0.835 nan 8.310 nan 0.000 0.498 209 T N 1.547 116.097 114.554 -0.008 0.000 3.009 209 T HA 0.342 4.692 4.350 -0.000 0.000 0.267 209 T C 0.906 175.523 174.700 -0.137 0.000 0.942 209 T CA -0.508 61.536 62.100 -0.093 0.000 0.883 209 T CB 0.072 68.880 68.868 -0.100 0.000 1.192 209 T HN 0.467 nan 8.240 nan 0.000 0.524 210 K N 0.783 121.076 120.400 -0.177 0.000 2.404 210 K HA 0.281 4.601 4.320 -0.000 0.000 0.194 210 K C -0.336 175.915 176.600 -0.581 0.000 1.023 210 K CA 0.283 56.318 56.287 -0.420 0.000 1.094 210 K CB -0.001 32.143 32.500 -0.594 0.000 0.841 210 K HN 0.551 nan 8.250 nan 0.000 0.523 211 Y N -0.182 120.111 120.300 -0.012 0.000 2.719 211 Y HA 0.223 4.772 4.550 -0.000 0.000 0.251 211 Y C 1.023 176.939 175.900 0.026 0.000 1.159 211 Y CA -0.645 57.461 58.100 0.009 0.000 1.166 211 Y CB 0.134 38.608 38.460 0.022 0.000 1.219 211 Y HN -0.041 nan 8.280 nan 0.000 0.551 212 N N 0.639 119.397 118.700 0.097 0.000 2.364 212 N HA -0.157 4.583 4.740 -0.000 0.000 0.183 212 N C 0.853 176.466 175.510 0.172 0.000 1.022 212 N CA 1.414 54.551 53.050 0.144 0.000 0.883 212 N CB 0.057 38.596 38.487 0.086 0.000 0.965 212 N HN 0.461 nan 8.380 nan 0.000 0.438 213 D N -0.257 120.204 120.400 0.101 0.000 2.323 213 D HA -0.018 4.622 4.640 -0.000 0.000 0.209 213 D C 0.466 176.809 176.300 0.072 0.000 0.973 213 D CA 0.801 54.835 54.000 0.056 0.000 0.874 213 D CB 0.175 40.989 40.800 0.023 0.000 0.930 213 D HN 0.308 nan 8.370 nan 0.000 0.521 214 T N -1.642 112.985 114.554 0.122 0.000 3.410 214 T HA 0.338 4.688 4.350 -0.000 0.000 0.328 214 T C -2.359 172.418 174.700 0.128 0.000 1.567 214 T CA -1.698 60.471 62.100 0.114 0.000 1.626 214 T CB 1.831 70.771 68.868 0.120 0.000 0.939 214 T HN -0.279 nan 8.240 nan 0.000 0.656 215 P HA -0.090 nan 4.420 nan 0.000 0.218 215 P C 1.257 178.615 177.300 0.097 0.000 1.148 215 P CA 1.086 64.273 63.100 0.146 0.000 0.822 215 P CB 0.145 31.955 31.700 0.183 0.000 0.784 216 E N -0.741 119.502 120.200 0.071 0.000 2.478 216 E HA -0.115 4.235 4.350 -0.000 0.000 0.198 216 E C 1.300 177.897 176.600 -0.005 0.000 1.046 216 E CA 0.691 57.113 56.400 0.036 0.000 0.870 216 E CB -0.176 29.543 29.700 0.031 0.000 0.818 216 E HN 0.195 nan 8.360 nan 0.000 0.527 217 K N -0.129 120.256 120.400 -0.025 0.000 2.353 217 K HA 0.187 4.507 4.320 -0.000 0.000 0.195 217 K C 1.471 177.894 176.600 -0.295 0.000 1.031 217 K CA 0.320 56.529 56.287 -0.129 0.000 1.079 217 K CB 0.462 32.898 32.500 -0.108 0.000 0.857 217 K HN 0.043 nan 8.250 nan 0.000 0.535 218 A N 0.241 122.976 122.820 -0.142 0.000 1.902 218 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 218 A C 1.265 178.771 177.584 -0.130 0.000 1.181 218 A CA 1.208 53.174 52.037 -0.118 0.000 0.623 218 A CB -0.267 18.797 19.000 0.106 0.000 0.818 218 A HN 0.182 nan 8.150 nan 0.000 0.443 219 S N 0.343 116.003 115.700 -0.068 0.000 2.430 219 S HA 0.481 4.950 4.470 -0.000 0.000 0.289 219 S C 0.259 174.806 174.600 -0.089 0.000 1.143 219 S CA -0.639 57.537 58.200 -0.040 0.000 1.067 219 S CB -0.001 63.202 63.200 0.005 0.000 0.964 219 S HN 0.513 nan 8.310 nan 0.000 0.485 220 R N 2.550 122.992 120.500 -0.096 0.000 2.499 220 R HA 0.153 4.493 4.340 -0.000 0.000 0.252 220 R C -0.852 175.390 176.300 -0.097 0.000 1.309 220 R CA -0.616 55.423 56.100 -0.102 0.000 1.425 220 R CB -1.153 29.058 30.300 -0.149 0.000 1.392 220 R HN 0.467 nan 8.270 nan 0.000 0.766 221 T N 1.961 116.410 114.554 -0.175 0.000 2.891 221 T HA -0.056 4.294 4.350 -0.000 0.000 0.296 221 T C -0.026 174.467 174.700 -0.345 0.000 1.025 221 T CA 1.048 62.911 62.100 -0.396 0.000 1.149 221 T CB -0.128 68.365 68.868 -0.624 0.000 1.007 221 T HN 0.515 nan 8.240 nan 0.000 0.528 222 Y N -1.248 119.065 120.300 0.022 0.000 4.884 222 Y HA -0.213 4.337 4.550 -0.000 0.000 0.276 222 Y C 0.696 176.605 175.900 0.015 0.000 0.915 222 Y CA 0.429 58.541 58.100 0.020 0.000 1.768 222 Y CB -2.262 36.209 38.460 0.018 0.000 1.172 222 Y HN 0.770 nan 8.280 nan 0.000 0.470 223 D N 0.661 121.128 120.400 0.111 0.000 2.389 223 D HA 0.545 5.185 4.640 -0.000 0.000 0.247 223 D C 1.263 177.593 176.300 0.049 0.000 1.128 223 D CA 0.800 54.851 54.000 0.085 0.000 0.884 223 D CB 1.265 42.103 40.800 0.062 0.000 1.194 223 D HN 0.287 nan 8.370 nan 0.000 0.441 224 A N 3.136 125.955 122.820 -0.002 0.000 2.125 224 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 224 A C 1.060 178.421 177.584 -0.372 0.000 1.156 224 A CA 1.247 53.172 52.037 -0.187 0.000 0.671 224 A CB -0.500 18.333 19.000 -0.278 0.000 0.794 224 A HN 0.774 nan 8.150 nan 0.000 0.459 225 H N -0.511 118.621 119.070 0.103 0.000 2.505 225 H HA 0.171 4.727 4.556 -0.000 0.000 0.286 225 H C 0.577 176.028 175.328 0.205 0.000 1.072 225 H CA -0.319 55.822 56.048 0.155 0.000 1.141 225 H CB 0.096 29.976 29.762 0.197 0.000 1.550 225 H HN 0.581 nan 8.280 nan 0.000 0.547 226 R N 1.599 122.199 120.500 0.167 0.000 2.679 226 R HA 0.014 4.354 4.340 -0.000 0.000 0.268 226 R C -0.530 175.878 176.300 0.181 0.000 1.044 226 R CA 0.471 56.658 56.100 0.146 0.000 1.105 226 R CB 0.453 30.790 30.300 0.062 0.000 0.989 226 R HN 0.244 nan 8.270 nan 0.000 0.447 227 D N 0.579 121.100 120.400 0.202 0.000 2.865 227 D HA 0.226 4.866 4.640 -0.000 0.000 0.347 227 D C 0.029 176.402 176.300 0.122 0.000 1.498 227 D CA 0.068 54.164 54.000 0.160 0.000 0.787 227 D CB 0.364 41.265 40.800 0.167 0.000 1.190 227 D HN 0.928 nan 8.370 nan 0.000 0.445 228 G N 0.436 109.312 108.800 0.127 0.000 2.459 228 G HA2 0.221 4.181 3.960 -0.000 0.000 0.685 228 G HA3 0.221 4.181 3.960 -0.000 0.000 0.685 228 G C -0.540 174.443 174.900 0.139 0.000 1.303 228 G CA -0.697 44.473 45.100 0.116 0.000 0.907 228 G HN 0.343 nan 8.290 nan 0.000 0.632 229 F N -0.490 119.521 119.950 0.101 0.000 2.378 229 F HA 0.790 5.317 4.527 -0.000 0.000 0.319 229 F C 0.305 176.147 175.800 0.069 0.000 1.155 229 F CA -1.352 56.694 58.000 0.075 0.000 1.157 229 F CB 1.156 40.225 39.000 0.115 0.000 1.252 229 F HN 0.393 nan 8.300 nan 0.000 0.550 230 V N 4.310 124.422 119.914 0.330 0.000 2.347 230 V HA 0.267 4.387 4.120 -0.000 0.000 0.280 230 V C 0.181 176.490 176.094 0.358 0.000 1.021 230 V CA -0.834 61.596 62.300 0.216 0.000 0.847 230 V CB 1.095 33.016 31.823 0.164 0.000 0.990 230 V HN 0.844 nan 8.190 nan 0.000 0.444 231 I N 4.699 125.427 120.570 0.264 0.000 2.696 231 I HA 0.554 4.724 4.170 -0.000 0.000 0.284 231 I C 0.488 176.726 176.117 0.201 0.000 1.129 231 I CA 0.520 61.988 61.300 0.280 0.000 1.410 231 I CB 0.918 39.017 38.000 0.164 0.000 1.399 231 I HN 0.791 nan 8.210 nan 0.000 0.579 232 A N 4.739 127.621 122.820 0.103 0.000 2.569 232 A HA 0.900 5.220 4.320 -0.000 0.000 0.290 232 A C -0.638 176.924 177.584 -0.037 0.000 1.136 232 A CA -0.167 51.883 52.037 0.020 0.000 0.710 232 A CB 1.364 20.377 19.000 0.022 0.000 1.303 232 A HN 0.826 nan 8.150 nan 0.000 0.413 233 G N -1.843 106.890 108.800 -0.111 0.000 2.658 233 G HA2 0.901 4.861 3.960 -0.000 0.000 0.292 233 G HA3 0.901 4.861 3.960 -0.000 0.000 0.292 233 G C -0.094 174.660 174.900 -0.244 0.000 1.320 233 G CA -0.176 44.872 45.100 -0.087 0.000 0.933 233 G HN 2.241 nan 8.290 nan 0.000 0.476 234 G N -1.872 106.773 108.800 -0.257 0.000 2.339 234 G HA2 0.623 4.583 3.960 -0.000 0.000 0.275 234 G HA3 0.623 4.583 3.960 -0.000 0.000 0.275 234 G C -0.376 174.470 174.900 -0.090 0.000 1.323 234 G CA 0.235 45.014 45.100 -0.536 0.000 0.927 234 G HN 1.959 nan 8.290 nan 0.000 0.486 235 G N -1.777 106.976 108.800 -0.078 0.000 2.692 235 G HA2 0.973 4.933 3.960 -0.000 0.000 0.291 235 G HA3 0.973 4.933 3.960 -0.000 0.000 0.291 235 G C -0.423 174.460 174.900 -0.028 0.000 1.423 235 G CA 0.352 45.474 45.100 0.037 0.000 0.843 235 G HN 2.021 nan 8.290 nan 0.000 0.486 236 G N -0.448 108.332 108.800 -0.033 0.000 2.720 236 G HA2 0.626 4.586 3.960 -0.000 0.000 0.295 236 G HA3 0.626 4.586 3.960 -0.000 0.000 0.295 236 G C -1.270 173.589 174.900 -0.068 0.000 1.437 236 G CA -0.651 44.404 45.100 -0.075 0.000 0.886 236 G HN 0.544 nan 8.290 nan 0.000 0.509 237 M N 0.918 120.468 119.600 -0.082 0.000 2.421 237 M HA 0.509 4.989 4.480 -0.000 0.000 0.287 237 M C -0.322 175.927 176.300 -0.085 0.000 1.183 237 M CA -0.877 54.380 55.300 -0.073 0.000 0.916 237 M CB 1.517 34.070 32.600 -0.077 0.000 1.701 237 M HN 0.849 nan 8.290 nan 0.000 0.470 238 V N 0.333 120.197 119.914 -0.083 0.000 2.864 238 V HA 0.853 4.973 4.120 -0.000 0.000 0.314 238 V C -0.579 175.456 176.094 -0.097 0.000 1.073 238 V CA -0.869 61.369 62.300 -0.104 0.000 0.956 238 V CB 2.009 33.747 31.823 -0.141 0.000 1.023 238 V HN 0.549 nan 8.190 nan 0.000 0.435 239 V N 3.679 123.520 119.914 -0.123 0.000 2.348 239 V HA 0.355 4.475 4.120 -0.000 0.000 0.270 239 V C 0.137 176.092 176.094 -0.231 0.000 1.037 239 V CA -0.335 61.809 62.300 -0.261 0.000 0.872 239 V CB 1.071 32.749 31.823 -0.242 0.000 1.002 239 V HN 0.733 nan 8.190 nan 0.000 0.464 240 V N 5.192 124.943 119.914 -0.272 0.000 2.383 240 V HA 0.472 4.592 4.120 -0.000 0.000 0.275 240 V C 0.060 176.022 176.094 -0.221 0.000 1.036 240 V CA -0.279 61.900 62.300 -0.202 0.000 0.889 240 V CB 1.341 33.055 31.823 -0.181 0.000 0.985 240 V HN 0.973 nan 8.190 nan 0.000 0.459 241 E N 2.818 122.924 120.200 -0.156 0.000 2.314 241 E HA 0.323 4.673 4.350 -0.000 0.000 0.272 241 E C -0.768 175.779 176.600 -0.089 0.000 0.884 241 E CA -0.726 55.586 56.400 -0.147 0.000 0.753 241 E CB 1.797 31.437 29.700 -0.100 0.000 1.213 241 E HN 0.692 nan 8.360 nan 0.000 0.432 242 E N 3.630 123.775 120.200 -0.092 0.000 2.414 242 E HA -0.040 4.310 4.350 -0.000 0.000 0.263 242 E C 0.717 177.325 176.600 0.014 0.000 1.000 242 E CA -0.062 56.316 56.400 -0.038 0.000 0.914 242 E CB 1.096 30.771 29.700 -0.041 0.000 0.948 242 E HN 0.621 nan 8.360 nan 0.000 0.444 243 L N 5.562 126.788 121.223 0.005 0.000 1.989 243 L HA -0.198 4.142 4.340 -0.000 0.000 0.211 243 L C 1.878 178.761 176.870 0.022 0.000 1.071 243 L CA 1.896 56.739 54.840 0.006 0.000 0.749 243 L CB -0.416 41.641 42.059 -0.004 0.000 0.890 243 L HN 0.531 nan 8.230 nan 0.000 0.431 244 E N -0.946 119.272 120.200 0.030 0.000 2.110 244 E HA -0.264 4.086 4.350 -0.000 0.000 0.193 244 E C 2.205 178.829 176.600 0.041 0.000 0.988 244 E CA 1.320 57.736 56.400 0.026 0.000 0.804 244 E CB -0.704 29.011 29.700 0.025 0.000 0.745 244 E HN 0.681 nan 8.360 nan 0.000 0.458 245 H N 0.604 119.659 119.070 -0.026 0.000 2.353 245 H HA -0.045 4.511 4.556 -0.000 0.000 0.300 245 H C 1.851 177.162 175.328 -0.029 0.000 1.090 245 H CA 1.728 57.760 56.048 -0.026 0.000 1.327 245 H CB 0.219 29.961 29.762 -0.033 0.000 1.383 245 H HN 0.133 nan 8.280 nan 0.000 0.508 246 A N 1.142 124.018 122.820 0.095 0.000 1.877 246 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 246 A C 2.872 180.440 177.584 -0.026 0.000 1.186 246 A CA 1.228 53.285 52.037 0.033 0.000 0.620 246 A CB -0.876 18.136 19.000 0.020 0.000 0.822 246 A HN 0.408 nan 8.150 nan 0.000 0.443 247 L N -0.797 120.411 121.223 -0.025 0.000 2.046 247 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 247 L C 3.058 179.898 176.870 -0.050 0.000 1.077 247 L CA 1.009 55.829 54.840 -0.035 0.000 0.747 247 L CB -0.501 41.542 42.059 -0.026 0.000 0.896 247 L HN 0.442 nan 8.230 nan 0.000 0.432 248 A N 0.908 123.685 122.820 -0.072 0.000 2.019 248 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 248 A C 2.208 179.729 177.584 -0.104 0.000 1.164 248 A CA 1.597 53.580 52.037 -0.090 0.000 0.644 248 A CB -0.482 18.448 19.000 -0.116 0.000 0.805 248 A HN 0.581 nan 8.150 nan 0.000 0.449 249 R N -1.357 119.068 120.500 -0.124 0.000 2.359 249 R HA 0.357 4.697 4.340 -0.000 0.000 0.231 249 R C 0.947 177.217 176.300 -0.050 0.000 0.913 249 R CA 0.581 56.622 56.100 -0.099 0.000 1.075 249 R CB -0.600 29.624 30.300 -0.126 0.000 1.087 249 R HN 0.671 nan 8.270 nan 0.000 0.515 250 G N 0.988 109.762 108.800 -0.043 0.000 2.273 250 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.280 250 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.280 250 G C 0.323 175.216 174.900 -0.011 0.000 1.047 250 G CA 0.169 45.255 45.100 -0.025 0.000 0.869 250 G HN 0.719 nan 8.290 nan 0.000 0.502 251 A N 0.084 122.896 122.820 -0.013 0.000 2.466 251 A HA 0.490 4.810 4.320 -0.000 0.000 0.238 251 A C 0.714 178.304 177.584 0.010 0.000 1.074 251 A CA 0.252 52.293 52.037 0.006 0.000 0.774 251 A CB 0.201 19.201 19.000 0.001 0.000 1.015 251 A HN 0.995 nan 8.150 nan 0.000 0.498 252 H N 1.547 120.569 119.070 -0.081 0.000 2.690 252 H HA 0.424 4.980 4.556 -0.000 0.000 0.314 252 H C -1.036 174.192 175.328 -0.165 0.000 1.069 252 H CA -0.087 55.869 56.048 -0.153 0.000 1.436 252 H CB 0.358 29.991 29.762 -0.215 0.000 1.462 252 H HN 0.475 nan 8.280 nan 0.000 0.511 253 I N 6.814 126.992 120.570 -0.654 0.000 2.355 253 I HA -0.010 4.159 4.170 -0.000 0.000 0.288 253 I C 0.086 175.833 176.117 -0.616 0.000 0.999 253 I CA -0.599 60.434 61.300 -0.446 0.000 1.163 253 I CB 1.110 38.983 38.000 -0.212 0.000 1.316 253 I HN 0.678 nan 8.210 nan 0.000 0.454 254 Y N 5.107 125.163 120.300 -0.406 0.000 2.184 254 Y HA 0.165 4.715 4.550 -0.000 0.000 0.290 254 Y C 1.286 177.099 175.900 -0.147 0.000 1.129 254 Y CA 1.013 58.966 58.100 -0.245 0.000 1.144 254 Y CB 0.099 38.497 38.460 -0.104 0.000 0.995 254 Y HN 0.657 nan 8.280 nan 0.000 0.513 255 A N -0.813 122.035 122.820 0.047 0.000 2.586 255 A HA 0.392 4.712 4.320 -0.000 0.000 0.291 255 A C -1.450 176.131 177.584 -0.005 0.000 1.062 255 A CA -0.853 51.192 52.037 0.013 0.000 0.666 255 A CB 0.684 19.703 19.000 0.032 0.000 1.281 255 A HN 0.084 nan 8.150 nan 0.000 0.421 256 E N 0.785 120.979 120.200 -0.010 0.000 2.266 256 E HA 0.481 4.831 4.350 -0.000 0.000 0.277 256 E C -0.790 175.806 176.600 -0.007 0.000 1.018 256 E CA -0.688 55.705 56.400 -0.012 0.000 0.840 256 E CB 0.606 30.300 29.700 -0.009 0.000 1.082 256 E HN 0.450 nan 8.360 nan 0.000 0.395 257 I N 6.637 127.199 120.570 -0.013 0.000 2.294 257 I HA -0.013 4.157 4.170 -0.000 0.000 0.295 257 I C 1.119 177.246 176.117 0.017 0.000 1.098 257 I CA 0.117 61.414 61.300 -0.005 0.000 1.277 257 I CB 0.404 38.387 38.000 -0.028 0.000 1.434 257 I HN 0.486 nan 8.210 nan 0.000 0.498 258 V N 3.355 123.286 119.914 0.027 0.000 3.608 258 V HA 0.520 4.640 4.120 -0.000 0.000 0.269 258 V C 0.767 176.896 176.094 0.057 0.000 1.245 258 V CA 0.325 62.646 62.300 0.035 0.000 1.138 258 V CB 0.020 31.858 31.823 0.025 0.000 0.841 258 V HN 0.700 nan 8.190 nan 0.000 0.451 259 G N -0.499 108.347 108.800 0.076 0.000 2.766 259 G HA2 0.533 4.493 3.960 -0.000 0.000 0.297 259 G HA3 0.533 4.493 3.960 -0.000 0.000 0.297 259 G C -2.275 172.728 174.900 0.173 0.000 1.431 259 G CA -0.554 44.609 45.100 0.105 0.000 1.042 259 G HN 0.323 nan 8.290 nan 0.000 0.542 260 Y N 1.493 121.803 120.300 0.017 0.000 2.315 260 Y HA 0.665 5.215 4.550 -0.000 0.000 0.324 260 Y C -0.071 175.842 175.900 0.023 0.000 1.062 260 Y CA -1.246 56.861 58.100 0.011 0.000 1.159 260 Y CB 1.614 40.082 38.460 0.013 0.000 1.145 260 Y HN 0.815 nan 8.280 nan 0.000 0.442 261 G N 3.207 111.905 108.800 -0.170 0.000 2.371 261 G HA2 0.719 4.679 3.960 -0.000 0.000 0.326 261 G HA3 0.719 4.679 3.960 -0.000 0.000 0.326 261 G C -1.519 173.152 174.900 -0.383 0.000 1.127 261 G CA -0.514 44.417 45.100 -0.282 0.000 0.885 261 G HN 1.135 nan 8.290 nan 0.000 0.477 262 A N 1.698 124.311 122.820 -0.346 0.000 2.442 262 A HA 0.850 5.170 4.320 -0.000 0.000 0.284 262 A C 0.016 177.587 177.584 -0.021 0.000 1.058 262 A CA -0.083 51.913 52.037 -0.068 0.000 0.738 262 A CB 1.291 20.257 19.000 -0.057 0.000 1.242 262 A HN 1.504 nan 8.150 nan 0.000 0.421 263 T N -1.463 113.127 114.554 0.059 0.000 2.716 263 T HA 0.868 5.218 4.350 -0.000 0.000 0.286 263 T C -0.299 174.431 174.700 0.050 0.000 1.052 263 T CA -0.453 61.661 62.100 0.023 0.000 1.024 263 T CB 1.697 70.566 68.868 0.003 0.000 1.349 263 T HN 1.457 nan 8.240 nan 0.000 0.525 264 S N -1.005 114.707 115.700 0.019 0.000 2.548 264 S HA 0.452 4.922 4.470 -0.000 0.000 0.276 264 S C -0.342 174.260 174.600 0.003 0.000 1.129 264 S CA -0.605 57.608 58.200 0.021 0.000 0.931 264 S CB 1.607 64.812 63.200 0.008 0.000 1.068 264 S HN 0.679 nan 8.310 nan 0.000 0.480 265 D N 2.840 123.242 120.400 0.003 0.000 2.162 265 D HA 0.152 4.792 4.640 -0.000 0.000 0.203 265 D C 1.483 177.778 176.300 -0.009 0.000 0.967 265 D CA 1.462 55.453 54.000 -0.014 0.000 0.840 265 D CB -0.469 40.320 40.800 -0.018 0.000 0.972 265 D HN 1.070 nan 8.370 nan 0.000 0.482 266 G N 0.137 108.937 108.800 -0.000 0.000 2.323 266 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.292 266 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.292 266 G C 0.624 175.522 174.900 -0.004 0.000 1.040 266 G CA 0.879 45.978 45.100 -0.002 0.000 0.942 266 G HN 0.626 nan 8.290 nan 0.000 0.506 267 A N -0.928 121.890 122.820 -0.002 0.000 1.758 267 A HA 0.694 5.014 4.320 -0.000 0.000 0.172 267 A C 0.302 177.884 177.584 -0.004 0.000 1.924 267 A CA 1.096 53.130 52.037 -0.006 0.000 1.449 267 A CB 0.370 19.364 19.000 -0.010 0.000 1.075 267 A HN 0.561 nan 8.150 nan 0.000 0.777 268 D N -1.687 118.712 120.400 -0.002 0.000 2.342 268 D HA 0.508 5.148 4.640 -0.000 0.000 0.243 268 D C 0.697 176.995 176.300 -0.003 0.000 1.019 268 D CA -0.523 53.473 54.000 -0.007 0.000 0.864 268 D CB 1.634 42.429 40.800 -0.009 0.000 1.315 268 D HN 0.174 nan 8.370 nan 0.000 0.468 269 M N 2.805 122.390 119.600 -0.025 0.000 2.132 269 M HA -0.004 4.476 4.480 -0.000 0.000 0.263 269 M C 0.987 177.234 176.300 -0.087 0.000 1.065 269 M CA 1.650 56.929 55.300 -0.035 0.000 1.122 269 M CB 0.162 32.724 32.600 -0.063 0.000 1.365 269 M HN 0.400 nan 8.290 nan 0.000 0.411 270 V N -3.181 116.639 119.914 -0.156 0.000 3.253 270 V HA 0.725 4.845 4.120 -0.000 0.000 0.320 270 V C 0.081 176.130 176.094 -0.074 0.000 1.442 270 V CA -0.047 62.057 62.300 -0.327 0.000 1.097 270 V CB -0.921 30.569 31.823 -0.555 0.000 1.008 270 V HN 0.281 nan 8.190 nan 0.000 0.463 271 A N 1.744 124.568 122.820 0.006 0.000 2.422 271 A HA 0.928 5.248 4.320 -0.000 0.000 0.302 271 A C -3.095 174.519 177.584 0.050 0.000 1.041 271 A CA -1.628 50.443 52.037 0.056 0.000 0.708 271 A CB 1.575 20.593 19.000 0.030 0.000 1.257 271 A HN 0.208 nan 8.150 nan 0.000 0.414 272 P HA 0.177 nan 4.420 nan 0.000 0.278 272 P C 0.706 177.981 177.300 -0.041 0.000 1.238 272 P CA -0.092 62.995 63.100 -0.022 0.000 0.794 272 P CB 1.550 33.199 31.700 -0.085 0.000 0.955 273 S N 0.956 116.617 115.700 -0.064 0.000 2.501 273 S HA 0.148 4.618 4.470 -0.000 0.000 0.220 273 S C 1.648 176.210 174.600 -0.064 0.000 0.997 273 S CA 0.829 58.999 58.200 -0.050 0.000 0.919 273 S CB -1.029 62.145 63.200 -0.042 0.000 0.778 273 S HN 0.748 nan 8.310 nan 0.000 0.523 274 G N 1.957 110.690 108.800 -0.112 0.000 2.550 274 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.233 274 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.233 274 G C 0.942 175.786 174.900 -0.093 0.000 1.170 274 G CA 0.591 45.626 45.100 -0.108 0.000 0.693 274 G HN 0.484 nan 8.290 nan 0.000 0.512 275 E N 1.743 121.902 120.200 -0.068 0.000 2.085 275 E HA -0.092 4.258 4.350 -0.000 0.000 0.194 275 E C 2.648 179.213 176.600 -0.059 0.000 0.994 275 E CA 2.243 58.612 56.400 -0.052 0.000 0.801 275 E CB -0.945 28.732 29.700 -0.039 0.000 0.743 275 E HN 0.647 nan 8.360 nan 0.000 0.453 276 G N 0.698 109.454 108.800 -0.074 0.000 2.418 276 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.217 276 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.217 276 G C 1.726 176.586 174.900 -0.066 0.000 1.158 276 G CA 1.256 46.318 45.100 -0.064 0.000 0.771 276 G HN 0.422 nan 8.290 nan 0.000 0.545 277 A N 0.099 122.836 122.820 -0.138 0.000 1.930 277 A HA 0.124 4.444 4.320 -0.000 0.000 0.217 277 A C 2.589 180.174 177.584 0.000 0.000 1.175 277 A CA 1.652 53.632 52.037 -0.094 0.000 0.627 277 A CB -0.544 18.274 19.000 -0.303 0.000 0.815 277 A HN 0.234 nan 8.150 nan 0.000 0.443 278 V N 0.055 119.949 119.914 -0.033 0.000 2.295 278 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 278 V C 2.658 178.729 176.094 -0.038 0.000 1.049 278 V CA 2.342 64.624 62.300 -0.032 0.000 1.024 278 V CB -0.763 31.036 31.823 -0.040 0.000 0.648 278 V HN 0.537 nan 8.190 nan 0.000 0.447 279 R N -1.242 119.237 120.500 -0.036 0.000 2.092 279 R HA -0.166 4.174 4.340 -0.000 0.000 0.231 279 R C 2.387 178.668 176.300 -0.032 0.000 1.119 279 R CA 1.567 57.643 56.100 -0.039 0.000 0.970 279 R CB -0.829 29.448 30.300 -0.040 0.000 0.864 279 R HN 0.560 nan 8.270 nan 0.000 0.440 280 C N 0.829 120.126 119.300 -0.004 0.000 2.436 280 C HA -0.092 4.368 4.460 -0.000 0.000 0.277 280 C C 2.614 177.612 174.990 0.015 0.000 1.241 280 C CA 0.921 59.949 59.018 0.015 0.000 1.721 280 C CB -0.686 27.108 27.740 0.090 0.000 2.043 280 C HN 0.462 nan 8.230 nan 0.000 0.472 281 M N 0.196 119.816 119.600 0.033 0.000 2.080 281 M HA -0.181 4.299 4.480 -0.000 0.000 0.260 281 M C 2.286 178.559 176.300 -0.044 0.000 1.068 281 M CA 1.961 57.269 55.300 0.013 0.000 1.109 281 M CB -0.517 32.094 32.600 0.019 0.000 1.342 281 M HN 0.381 nan 8.290 nan 0.000 0.405 282 K N 0.005 120.362 120.400 -0.072 0.000 2.063 282 K HA -0.192 4.128 4.320 -0.000 0.000 0.208 282 K C 2.001 178.590 176.600 -0.018 0.000 1.048 282 K CA 1.629 57.873 56.287 -0.071 0.000 0.928 282 K CB -0.308 32.149 32.500 -0.071 0.000 0.713 282 K HN 0.370 nan 8.250 nan 0.000 0.442 283 M N 0.548 120.130 119.600 -0.030 0.000 2.108 283 M HA -0.172 4.308 4.480 -0.000 0.000 0.261 283 M C 2.066 178.371 176.300 0.009 0.000 1.066 283 M CA 1.839 57.119 55.300 -0.033 0.000 1.107 283 M CB -0.093 32.458 32.600 -0.082 0.000 1.356 283 M HN 0.174 nan 8.290 nan 0.000 0.406 284 A N -0.116 122.708 122.820 0.007 0.000 2.066 284 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 284 A C 1.858 179.477 177.584 0.058 0.000 1.157 284 A CA 1.243 53.304 52.037 0.041 0.000 0.670 284 A CB -0.571 18.460 19.000 0.052 0.000 0.804 284 A HN 0.651 nan 8.150 nan 0.000 0.453 285 M N -0.972 118.654 119.600 0.043 0.000 2.502 285 M HA 0.066 4.546 4.480 -0.000 0.000 0.243 285 M C 0.648 176.972 176.300 0.040 0.000 1.130 285 M CA 0.058 55.377 55.300 0.033 0.000 1.055 285 M CB 0.054 32.645 32.600 -0.016 0.000 1.457 285 M HN 0.438 nan 8.290 nan 0.000 0.488 286 H N 0.646 119.704 119.070 -0.021 0.000 3.004 286 H HA 0.054 4.610 4.556 -0.000 0.000 0.316 286 H C 0.996 176.320 175.328 -0.007 0.000 1.014 286 H CA 1.688 57.724 56.048 -0.020 0.000 1.454 286 H CB 0.566 30.313 29.762 -0.024 0.000 1.472 286 H HN 0.574 nan 8.280 nan 0.000 0.571 287 G N 4.132 112.627 108.800 -0.508 0.000 2.189 287 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.267 287 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.267 287 G C 0.192 175.020 174.900 -0.119 0.000 0.975 287 G CA 0.371 45.285 45.100 -0.311 0.000 0.644 287 G HN 0.586 nan 8.290 nan 0.000 0.537 288 V N 2.314 122.184 119.914 -0.074 0.000 2.389 288 V HA 0.356 4.476 4.120 -0.000 0.000 0.264 288 V C 1.063 177.142 176.094 -0.025 0.000 1.049 288 V CA 0.328 62.613 62.300 -0.024 0.000 0.932 288 V CB 1.383 33.212 31.823 0.010 0.000 1.011 288 V HN 0.474 nan 8.190 nan 0.000 0.475 289 D N 2.487 122.875 120.400 -0.021 0.000 2.325 289 D HA 0.010 4.650 4.640 -0.000 0.000 0.225 289 D C 0.645 176.945 176.300 -0.000 0.000 1.096 289 D CA 0.008 53.997 54.000 -0.018 0.000 0.844 289 D CB 0.097 40.884 40.800 -0.022 0.000 0.925 289 D HN 0.583 nan 8.370 nan 0.000 0.513 290 T N -2.507 112.054 114.554 0.012 0.000 2.887 290 T HA 0.590 4.940 4.350 -0.000 0.000 0.288 290 T C -2.778 171.947 174.700 0.042 0.000 1.021 290 T CA -1.787 60.326 62.100 0.022 0.000 1.000 290 T CB 2.232 71.112 68.868 0.020 0.000 1.034 290 T HN -0.181 nan 8.240 nan 0.000 0.467 291 P HA 0.272 nan 4.420 nan 0.000 0.272 291 P C -0.390 176.952 177.300 0.071 0.000 1.230 291 P CA -0.628 62.515 63.100 0.071 0.000 0.788 291 P CB 0.496 32.226 31.700 0.049 0.000 0.949 292 I N 2.917 123.547 120.570 0.101 0.000 2.379 292 I HA 0.015 4.185 4.170 -0.000 0.000 0.290 292 I C 1.288 177.389 176.117 -0.028 0.000 1.063 292 I CA 0.345 61.675 61.300 0.049 0.000 1.351 292 I CB 0.047 38.096 38.000 0.082 0.000 1.410 292 I HN 0.315 nan 8.210 nan 0.000 0.505 293 D N 5.172 125.577 120.400 0.008 0.000 2.249 293 D HA -0.073 4.566 4.640 -0.000 0.000 0.205 293 D C 0.023 176.363 176.300 0.066 0.000 0.962 293 D CA 1.263 55.276 54.000 0.022 0.000 0.860 293 D CB 0.422 41.248 40.800 0.042 0.000 0.955 293 D HN 0.538 nan 8.370 nan 0.000 0.505 294 Y N 0.213 120.461 120.300 -0.086 0.000 2.480 294 Y HA 0.430 4.980 4.550 -0.000 0.000 0.329 294 Y C -2.172 173.680 175.900 -0.080 0.000 1.127 294 Y CA -1.086 56.959 58.100 -0.092 0.000 1.037 294 Y CB 1.192 39.600 38.460 -0.086 0.000 1.320 294 Y HN -0.230 nan 8.280 nan 0.000 0.446 295 L N 7.214 127.834 121.223 -1.005 0.000 2.343 295 L HA 0.492 4.832 4.340 -0.000 0.000 0.278 295 L C -1.088 175.180 176.870 -1.003 0.000 0.996 295 L CA -0.546 53.837 54.840 -0.762 0.000 0.831 295 L CB 0.972 42.803 42.059 -0.380 0.000 1.232 295 L HN 0.823 nan 8.230 nan 0.000 0.413 296 N N 3.588 121.852 118.700 -0.726 0.000 2.415 296 N HA 0.109 4.849 4.740 -0.000 0.000 0.246 296 N C -0.353 175.072 175.510 -0.142 0.000 1.078 296 N CA -0.210 52.664 53.050 -0.294 0.000 0.942 296 N CB 0.995 39.466 38.487 -0.027 0.000 1.140 296 N HN 0.715 nan 8.380 nan 0.000 0.501 297 S N 2.782 118.445 115.700 -0.062 0.000 2.603 297 S HA 0.023 4.492 4.470 -0.000 0.000 0.268 297 S C 1.289 175.878 174.600 -0.018 0.000 1.317 297 S CA -0.295 57.913 58.200 0.013 0.000 1.012 297 S CB 1.308 64.604 63.200 0.161 0.000 0.926 297 S HN 0.703 nan 8.310 nan 0.000 0.539 298 H N 2.258 121.233 119.070 -0.158 0.000 2.321 298 H HA 0.120 4.676 4.556 -0.000 0.000 0.300 298 H C 1.645 176.870 175.328 -0.173 0.000 1.087 298 H CA 1.629 57.530 56.048 -0.244 0.000 1.319 298 H CB -1.024 28.501 29.762 -0.395 0.000 1.379 298 H HN 1.169 nan 8.280 nan 0.000 0.501 299 G N 0.465 109.209 108.800 -0.093 0.000 2.334 299 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.279 299 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.279 299 G C 1.003 175.690 174.900 -0.356 0.000 0.918 299 G CA 0.923 45.884 45.100 -0.232 0.000 1.314 299 G HN 0.764 nan 8.290 nan 0.000 0.463 300 T N -2.478 111.893 114.554 -0.305 0.000 3.081 300 T HA 0.405 4.755 4.350 -0.000 0.000 0.255 300 T C 1.375 176.039 174.700 -0.061 0.000 1.113 300 T CA 1.116 63.049 62.100 -0.280 0.000 1.082 300 T CB 0.317 69.067 68.868 -0.196 0.000 0.939 300 T HN 1.848 nan 8.240 nan 0.000 0.506 301 S N 0.782 116.425 115.700 -0.094 0.000 3.619 301 S HA -0.127 4.343 4.470 -0.000 0.000 0.287 301 S C 0.190 174.832 174.600 0.070 0.000 1.222 301 S CA 0.585 58.763 58.200 -0.037 0.000 0.821 301 S CB -2.131 61.065 63.200 -0.007 0.000 0.985 301 S HN 1.265 nan 8.310 nan 0.000 0.611 302 T N -0.805 113.804 114.554 0.092 0.000 2.794 302 T HA 0.676 5.026 4.350 -0.000 0.000 0.280 302 T C -1.359 173.410 174.700 0.114 0.000 0.987 302 T CA -1.684 60.507 62.100 0.152 0.000 0.993 302 T CB 1.739 70.747 68.868 0.232 0.000 0.939 302 T HN -0.060 nan 8.240 nan 0.000 0.449 303 P HA -0.158 nan 4.420 nan 0.000 0.214 303 P C 1.715 179.070 177.300 0.093 0.000 1.169 303 P CA 0.735 63.888 63.100 0.088 0.000 0.908 303 P CB -0.026 31.720 31.700 0.078 0.000 0.791 304 V N -0.318 119.656 119.914 0.101 0.000 2.283 304 V HA -0.132 3.988 4.120 -0.000 0.000 0.243 304 V C 2.636 178.798 176.094 0.113 0.000 1.039 304 V CA 2.533 64.891 62.300 0.096 0.000 1.016 304 V CB -1.927 29.949 31.823 0.089 0.000 0.650 304 V HN 0.184 nan 8.190 nan 0.000 0.449 305 G N -0.307 108.579 108.800 0.143 0.000 2.440 305 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.218 305 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.218 305 G C 1.215 176.217 174.900 0.171 0.000 1.154 305 G CA 1.224 46.426 45.100 0.169 0.000 0.767 305 G HN 0.505 nan 8.290 nan 0.000 0.552 306 D N 0.060 120.547 120.400 0.146 0.000 2.097 306 D HA -0.120 4.520 4.640 -0.000 0.000 0.195 306 D C 2.914 179.373 176.300 0.265 0.000 0.989 306 D CA 1.738 55.839 54.000 0.169 0.000 0.827 306 D CB -0.473 40.371 40.800 0.074 0.000 0.966 306 D HN 0.371 nan 8.370 nan 0.000 0.456 307 V N -1.610 118.419 119.914 0.192 0.000 2.788 307 V HA 0.032 4.152 4.120 -0.000 0.000 0.251 307 V C 1.969 178.130 176.094 0.113 0.000 1.068 307 V CA 0.707 63.099 62.300 0.154 0.000 1.090 307 V CB -0.269 31.622 31.823 0.113 0.000 0.710 307 V HN -0.081 nan 8.190 nan 0.000 0.467 308 K N 1.034 121.495 120.400 0.101 0.000 2.063 308 K HA -0.211 4.109 4.320 -0.000 0.000 0.208 308 K C 2.199 178.838 176.600 0.065 0.000 1.048 308 K CA 2.168 58.491 56.287 0.061 0.000 0.928 308 K CB -0.267 32.255 32.500 0.037 0.000 0.713 308 K HN 0.771 nan 8.250 nan 0.000 0.442 309 E N 0.914 121.190 120.200 0.127 0.000 2.106 309 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 309 E C 2.143 178.843 176.600 0.166 0.000 0.984 309 E CA 0.570 57.077 56.400 0.178 0.000 0.806 309 E CB 0.023 29.932 29.700 0.349 0.000 0.750 309 E HN 0.173 nan 8.360 nan 0.000 0.458 310 L N 0.511 121.829 121.223 0.158 0.000 2.046 310 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 310 L C 2.734 179.647 176.870 0.072 0.000 1.077 310 L CA 1.100 55.995 54.840 0.091 0.000 0.747 310 L CB -0.596 41.488 42.059 0.042 0.000 0.896 310 L HN 0.228 nan 8.230 nan 0.000 0.432 311 A N 0.139 122.998 122.820 0.064 0.000 1.933 311 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 311 A C 2.546 180.158 177.584 0.048 0.000 1.175 311 A CA 1.740 53.804 52.037 0.046 0.000 0.628 311 A CB -0.620 18.400 19.000 0.034 0.000 0.814 311 A HN 0.410 nan 8.150 nan 0.000 0.444 312 A N -0.155 122.696 122.820 0.052 0.000 1.930 312 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 312 A C 2.102 179.738 177.584 0.087 0.000 1.175 312 A CA 1.455 53.519 52.037 0.046 0.000 0.627 312 A CB -0.564 18.453 19.000 0.028 0.000 0.815 312 A HN 0.492 nan 8.150 nan 0.000 0.443 313 I N -0.758 119.898 120.570 0.143 0.000 2.226 313 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 313 I C 2.747 179.018 176.117 0.257 0.000 1.100 313 I CA 1.303 62.754 61.300 0.251 0.000 1.374 313 I CB -0.313 37.815 38.000 0.212 0.000 1.057 313 I HN 0.290 nan 8.210 nan 0.000 0.413 314 R N 0.346 120.929 120.500 0.140 0.000 2.091 314 R HA -0.241 4.099 4.340 -0.000 0.000 0.238 314 R C 2.233 178.584 176.300 0.085 0.000 1.136 314 R CA 1.739 57.904 56.100 0.108 0.000 0.959 314 R CB -0.380 29.955 30.300 0.058 0.000 0.856 314 R HN 0.287 nan 8.270 nan 0.000 0.437 315 E N 0.704 120.934 120.200 0.051 0.000 2.110 315 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 315 E C 1.824 178.406 176.600 -0.029 0.000 0.988 315 E CA 1.127 57.534 56.400 0.011 0.000 0.804 315 E CB 0.003 29.702 29.700 -0.002 0.000 0.745 315 E HN 0.057 nan 8.360 nan 0.000 0.458 316 V N -0.264 119.610 119.914 -0.067 0.000 2.307 316 V HA -0.157 3.963 4.120 -0.000 0.000 0.245 316 V C 1.768 177.660 176.094 -0.336 0.000 1.045 316 V CA 1.811 63.950 62.300 -0.269 0.000 1.024 316 V CB -0.464 31.072 31.823 -0.478 0.000 0.651 316 V HN 0.263 nan 8.190 nan 0.000 0.449 317 F N -0.387 119.564 119.950 0.002 0.000 2.656 317 F HA 0.500 5.027 4.527 -0.000 0.000 0.291 317 F C 1.767 177.566 175.800 -0.002 0.000 1.122 317 F CA 0.648 58.648 58.000 -0.001 0.000 1.427 317 F CB -0.406 38.591 39.000 -0.005 0.000 1.125 317 F HN 0.280 nan 8.300 nan 0.000 0.583 318 G N 0.951 109.841 108.800 0.150 0.000 2.550 318 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.277 318 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.277 318 G C 0.657 175.611 174.900 0.090 0.000 1.190 318 G CA 0.526 45.679 45.100 0.089 0.000 0.971 318 G HN 0.187 nan 8.290 nan 0.000 0.559 319 D N 1.374 121.812 120.400 0.062 0.000 2.144 319 D HA 0.179 4.819 4.640 -0.000 0.000 0.199 319 D C 2.230 178.556 176.300 0.044 0.000 0.984 319 D CA 2.255 56.280 54.000 0.043 0.000 0.834 319 D CB -0.264 40.553 40.800 0.029 0.000 0.955 319 D HN 0.954 nan 8.370 nan 0.000 0.465 320 K N 1.266 121.707 120.400 0.070 0.000 2.758 320 K HA 0.345 4.665 4.320 -0.000 0.000 0.250 320 K C 0.325 176.953 176.600 0.047 0.000 1.268 320 K CA -0.347 55.974 56.287 0.057 0.000 1.228 320 K CB -0.835 31.709 32.500 0.073 0.000 1.715 320 K HN 0.214 nan 8.250 nan 0.000 0.334 321 S N 1.162 116.845 115.700 -0.029 0.000 2.610 321 S HA 0.673 5.143 4.470 -0.000 0.000 0.273 321 S C -2.174 172.230 174.600 -0.327 0.000 1.274 321 S CA -1.231 56.834 58.200 -0.224 0.000 1.023 321 S CB 1.337 64.459 63.200 -0.129 0.000 0.962 321 S HN 0.424 nan 8.310 nan 0.000 0.523 322 P HA 0.330 nan 4.420 nan 0.000 0.276 322 P C -0.411 176.758 177.300 -0.218 0.000 1.261 322 P CA -0.528 62.352 63.100 -0.368 0.000 0.800 322 P CB 0.288 31.695 31.700 -0.489 0.000 1.066 323 A N 1.439 124.202 122.820 -0.094 0.000 2.540 323 A HA 0.277 4.597 4.320 -0.000 0.000 0.239 323 A C 0.283 177.856 177.584 -0.018 0.000 1.061 323 A CA 0.352 52.389 52.037 -0.000 0.000 0.758 323 A CB -0.914 18.151 19.000 0.107 0.000 0.991 323 A HN 0.463 nan 8.150 nan 0.000 0.502 324 I N 1.672 122.237 120.570 -0.008 0.000 2.545 324 I HA 0.490 4.660 4.170 -0.000 0.000 0.292 324 I C 0.116 176.304 176.117 0.118 0.000 1.040 324 I CA -0.166 61.101 61.300 -0.056 0.000 1.068 324 I CB 2.504 40.436 38.000 -0.113 0.000 1.251 324 I HN 0.786 nan 8.210 nan 0.000 0.424 325 S N 3.902 119.725 115.700 0.205 0.000 2.564 325 S HA 0.859 5.329 4.470 -0.000 0.000 0.274 325 S C -0.906 173.821 174.600 0.211 0.000 1.124 325 S CA -0.834 57.517 58.200 0.252 0.000 0.869 325 S CB 2.075 65.431 63.200 0.260 0.000 1.105 325 S HN 0.734 nan 8.310 nan 0.000 0.472 326 A N 1.899 124.836 122.820 0.196 0.000 2.322 326 A HA 0.574 4.894 4.320 -0.000 0.000 0.327 326 A C 1.142 178.732 177.584 0.010 0.000 1.394 326 A CA -0.243 51.831 52.037 0.062 0.000 0.921 326 A CB -0.319 18.629 19.000 -0.087 0.000 1.153 326 A HN 1.251 nan 8.150 nan 0.000 0.523 327 T N -0.089 114.478 114.554 0.022 0.000 3.051 327 T HA -0.086 4.264 4.350 -0.000 0.000 0.269 327 T C 1.330 175.992 174.700 -0.063 0.000 1.127 327 T CA 1.211 63.296 62.100 -0.024 0.000 1.107 327 T CB -0.301 68.555 68.868 -0.021 0.000 0.898 327 T HN 0.624 nan 8.240 nan 0.000 0.517 328 K N 1.145 121.495 120.400 -0.084 0.000 2.362 328 K HA 0.183 4.503 4.320 -0.000 0.000 0.200 328 K C 2.587 179.141 176.600 -0.078 0.000 1.046 328 K CA 0.834 57.058 56.287 -0.105 0.000 0.952 328 K CB -0.319 32.052 32.500 -0.215 0.000 0.753 328 K HN 0.486 nan 8.250 nan 0.000 0.466 329 A N 0.961 123.732 122.820 -0.082 0.000 2.019 329 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 329 A C 2.006 179.561 177.584 -0.047 0.000 1.164 329 A CA 1.317 53.316 52.037 -0.065 0.000 0.644 329 A CB -0.280 18.684 19.000 -0.060 0.000 0.805 329 A HN 0.192 nan 8.150 nan 0.000 0.449 330 M N -1.004 118.561 119.600 -0.058 0.000 2.325 330 M HA -0.051 4.429 4.480 -0.000 0.000 0.265 330 M C 2.251 178.521 176.300 -0.051 0.000 1.094 330 M CA 1.755 57.017 55.300 -0.062 0.000 1.161 330 M CB -0.127 32.411 32.600 -0.103 0.000 1.358 330 M HN 0.602 nan 8.290 nan 0.000 0.446 331 T N -2.724 111.797 114.554 -0.055 0.000 3.037 331 T HA 0.451 4.801 4.350 -0.000 0.000 0.251 331 T C 1.059 175.769 174.700 0.018 0.000 1.079 331 T CA 0.342 62.426 62.100 -0.027 0.000 1.067 331 T CB 0.005 68.870 68.868 -0.005 0.000 0.948 331 T HN 0.539 nan 8.240 nan 0.000 0.496 332 G N 1.236 110.051 108.800 0.026 0.000 2.782 332 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.228 332 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.228 332 G C -0.857 174.086 174.900 0.071 0.000 1.372 332 G CA -0.276 44.872 45.100 0.080 0.000 0.862 332 G HN 0.831 nan 8.290 nan 0.000 0.547 333 H N 0.614 119.671 119.070 -0.021 0.000 2.638 333 H HA 0.611 5.167 4.556 -0.000 0.000 0.303 333 H C 1.439 176.666 175.328 -0.167 0.000 1.034 333 H CA -0.089 55.848 56.048 -0.186 0.000 1.225 333 H CB 0.720 30.210 29.762 -0.452 0.000 1.394 333 H HN 0.859 nan 8.280 nan 0.000 0.477 334 S N 4.916 120.712 115.700 0.160 0.000 2.660 334 S HA 0.172 4.642 4.470 -0.000 0.000 0.227 334 S C 1.162 175.743 174.600 -0.031 0.000 0.948 334 S CA -0.045 58.169 58.200 0.022 0.000 0.948 334 S CB -0.594 62.609 63.200 0.005 0.000 0.779 334 S HN 0.714 nan 8.310 nan 0.000 0.487 335 L N -0.448 120.699 121.223 -0.127 0.000 5.895 335 L HA -0.316 4.024 4.340 -0.000 0.000 0.053 335 L C 2.146 178.994 176.870 -0.037 0.000 2.741 335 L CA 1.286 55.952 54.840 -0.289 0.000 1.500 335 L CB -2.051 39.816 42.059 -0.320 0.000 2.928 335 L HN 0.420 nan 8.230 nan 0.000 1.023 336 G N -1.046 107.741 108.800 -0.020 0.000 2.471 336 G HA2 0.092 4.052 3.960 -0.000 0.000 0.219 336 G HA3 0.092 4.052 3.960 -0.000 0.000 0.219 336 G C 1.253 176.162 174.900 0.015 0.000 1.125 336 G CA 1.213 46.325 45.100 0.020 0.000 0.775 336 G HN 0.860 nan 8.290 nan 0.000 0.548 337 A N 0.420 123.245 122.820 0.008 0.000 2.218 337 A HA 0.619 4.939 4.320 -0.000 0.000 0.209 337 A C 2.548 180.108 177.584 -0.041 0.000 1.168 337 A CA 1.304 53.334 52.037 -0.011 0.000 0.804 337 A CB -0.220 18.779 19.000 -0.003 0.000 0.834 337 A HN 0.501 nan 8.150 nan 0.000 0.482 338 A N 0.037 122.851 122.820 -0.009 0.000 1.902 338 A HA 0.125 4.445 4.320 -0.000 0.000 0.217 338 A C 2.331 179.862 177.584 -0.089 0.000 1.181 338 A CA 1.808 53.827 52.037 -0.030 0.000 0.623 338 A CB -1.250 17.765 19.000 0.026 0.000 0.818 338 A HN 0.644 nan 8.150 nan 0.000 0.443 339 G N -0.795 107.958 108.800 -0.077 0.000 2.459 339 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.217 339 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.217 339 G C 1.658 176.465 174.900 -0.155 0.000 1.183 339 G CA 1.344 46.373 45.100 -0.120 0.000 0.776 339 G HN 0.567 nan 8.290 nan 0.000 0.552 340 V N 0.143 119.968 119.914 -0.149 0.000 2.453 340 V HA -0.115 4.005 4.120 -0.000 0.000 0.247 340 V C 2.752 178.685 176.094 -0.269 0.000 1.048 340 V CA 2.476 64.670 62.300 -0.176 0.000 1.049 340 V CB -0.257 31.487 31.823 -0.132 0.000 0.672 340 V HN 0.512 nan 8.190 nan 0.000 0.457 341 Q N -0.413 119.200 119.800 -0.312 0.000 2.084 341 Q HA -0.249 4.091 4.340 -0.000 0.000 0.202 341 Q C 2.155 177.555 176.000 -1.001 0.000 0.978 341 Q CA 2.169 57.621 55.803 -0.584 0.000 0.844 341 Q CB -0.139 28.332 28.738 -0.445 0.000 0.898 341 Q HN 0.723 nan 8.270 nan 0.000 0.426 342 E N 0.431 120.282 120.200 -0.581 0.000 2.152 342 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 342 E C 1.923 178.389 176.600 -0.224 0.000 0.983 342 E CA 0.673 56.860 56.400 -0.356 0.000 0.818 342 E CB -0.050 29.592 29.700 -0.096 0.000 0.758 342 E HN 0.331 nan 8.360 nan 0.000 0.467 343 A N 1.208 123.893 122.820 -0.224 0.000 1.908 343 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 343 A C 2.159 179.639 177.584 -0.174 0.000 1.181 343 A CA 1.127 53.068 52.037 -0.160 0.000 0.627 343 A CB -0.548 18.357 19.000 -0.158 0.000 0.818 343 A HN 0.147 nan 8.150 nan 0.000 0.445 344 I N -1.541 118.865 120.570 -0.274 0.000 2.202 344 I HA -0.259 3.911 4.170 -0.000 0.000 0.242 344 I C 2.366 178.424 176.117 -0.097 0.000 1.091 344 I CA 1.251 62.408 61.300 -0.238 0.000 1.368 344 I CB -0.496 37.333 38.000 -0.284 0.000 1.058 344 I HN 0.389 nan 8.210 nan 0.000 0.410 345 Y N 0.920 121.195 120.300 -0.041 0.000 2.165 345 Y HA -0.239 4.311 4.550 -0.000 0.000 0.286 345 Y C 2.950 178.826 175.900 -0.040 0.000 1.155 345 Y CA 0.998 59.083 58.100 -0.024 0.000 1.164 345 Y CB -1.527 36.925 38.460 -0.012 0.000 0.978 345 Y HN 0.114 nan 8.280 nan 0.000 0.513 346 S N 0.114 115.889 115.700 0.125 0.000 2.368 346 S HA -0.145 4.325 4.470 -0.000 0.000 0.225 346 S C 2.176 176.797 174.600 0.035 0.000 1.030 346 S CA 1.240 59.504 58.200 0.107 0.000 0.999 346 S CB -0.669 62.603 63.200 0.119 0.000 0.844 346 S HN 0.356 nan 8.310 nan 0.000 0.459 347 L N 0.985 122.211 121.223 0.005 0.000 2.093 347 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 347 L C 2.198 179.118 176.870 0.084 0.000 1.085 347 L CA 0.907 55.751 54.840 0.007 0.000 0.755 347 L CB -0.547 41.442 42.059 -0.116 0.000 0.904 347 L HN 0.282 nan 8.230 nan 0.000 0.435 348 L N -1.104 120.183 121.223 0.107 0.000 2.083 348 L HA -0.229 4.111 4.340 -0.000 0.000 0.209 348 L C 2.623 179.628 176.870 0.226 0.000 1.083 348 L CA 1.325 56.331 54.840 0.277 0.000 0.752 348 L CB -0.354 41.874 42.059 0.282 0.000 0.899 348 L HN 0.312 nan 8.230 nan 0.000 0.433 349 M N -0.957 118.566 119.600 -0.127 0.000 2.132 349 M HA -0.209 4.271 4.480 -0.000 0.000 0.263 349 M C 2.289 178.469 176.300 -0.201 0.000 1.065 349 M CA 1.495 56.462 55.300 -0.555 0.000 1.122 349 M CB -0.290 31.837 32.600 -0.790 0.000 1.365 349 M HN 0.211 nan 8.290 nan 0.000 0.411 350 L N 0.638 121.824 121.223 -0.061 0.000 2.027 350 L HA -0.166 4.174 4.340 -0.000 0.000 0.206 350 L C 2.242 179.136 176.870 0.040 0.000 1.074 350 L CA 2.011 56.853 54.840 0.002 0.000 0.745 350 L CB -0.552 41.527 42.059 0.033 0.000 0.898 350 L HN 0.210 nan 8.230 nan 0.000 0.433 351 E N -1.347 118.904 120.200 0.086 0.000 2.106 351 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 351 E C 1.678 178.184 176.600 -0.157 0.000 0.984 351 E CA 1.463 57.865 56.400 0.003 0.000 0.806 351 E CB -0.070 29.691 29.700 0.100 0.000 0.750 351 E HN 0.646 nan 8.360 nan 0.000 0.458 352 H N -1.564 117.621 119.070 0.192 0.000 2.652 352 H HA 0.284 4.840 4.556 -0.000 0.000 0.274 352 H C 0.561 176.048 175.328 0.266 0.000 1.021 352 H CA 0.452 56.642 56.048 0.237 0.000 1.187 352 H CB 0.856 30.806 29.762 0.314 0.000 1.505 352 H HN 0.267 nan 8.280 nan 0.000 0.530 353 G N 2.065 111.010 108.800 0.241 0.000 2.324 353 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.292 353 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.292 353 G C -0.256 174.793 174.900 0.249 0.000 1.079 353 G CA 0.684 45.880 45.100 0.160 0.000 1.026 353 G HN 0.482 nan 8.290 nan 0.000 0.506 354 F N -1.965 117.971 119.950 -0.023 0.000 2.686 354 F HA 0.818 5.345 4.527 -0.000 0.000 0.311 354 F C -0.825 174.875 175.800 -0.166 0.000 1.128 354 F CA -2.659 55.300 58.000 -0.068 0.000 0.946 354 F CB 1.064 40.036 39.000 -0.047 0.000 1.336 354 F HN 0.054 nan 8.300 nan 0.000 0.457 355 I N 2.736 123.151 120.570 -0.258 0.000 2.354 355 I HA 0.641 4.811 4.170 -0.000 0.000 0.292 355 I C 0.197 176.203 176.117 -0.185 0.000 0.989 355 I CA -1.052 59.946 61.300 -0.503 0.000 1.188 355 I CB 1.586 39.393 38.000 -0.323 0.000 1.342 355 I HN 0.956 nan 8.210 nan 0.000 0.457 356 A N 8.987 131.629 122.820 -0.297 0.000 2.371 356 A HA 0.567 4.887 4.320 -0.000 0.000 0.257 356 A C -2.367 175.230 177.584 0.021 0.000 1.089 356 A CA -1.209 50.849 52.037 0.034 0.000 0.794 356 A CB -0.205 18.797 19.000 0.004 0.000 1.029 356 A HN 0.440 nan 8.150 nan 0.000 0.488 357 P HA 0.134 nan 4.420 nan 0.000 0.278 357 P C -0.345 176.987 177.300 0.052 0.000 1.238 357 P CA -0.206 62.922 63.100 0.047 0.000 0.794 357 P CB 1.143 32.864 31.700 0.034 0.000 0.955 358 S N 2.460 118.206 115.700 0.078 0.000 2.411 358 S HA 0.348 4.818 4.470 -0.000 0.000 0.304 358 S C 0.629 175.268 174.600 0.065 0.000 1.098 358 S CA -0.736 57.521 58.200 0.095 0.000 1.068 358 S CB -1.380 61.927 63.200 0.178 0.000 1.032 358 S HN 0.334 nan 8.310 nan 0.000 0.511 359 I N 2.134 122.721 120.570 0.028 0.000 2.970 359 I HA 0.514 4.684 4.170 -0.000 0.000 0.310 359 I C 0.428 176.547 176.117 0.004 0.000 1.010 359 I CA -0.606 60.701 61.300 0.012 0.000 1.228 359 I CB 0.415 38.410 38.000 -0.007 0.000 1.433 359 I HN 0.505 nan 8.210 nan 0.000 0.573 360 N N 1.191 119.888 118.700 -0.005 0.000 2.800 360 N HA -0.176 4.564 4.740 -0.000 0.000 0.250 360 N C -0.440 175.070 175.510 0.001 0.000 1.078 360 N CA 1.016 54.053 53.050 -0.022 0.000 0.804 360 N CB -1.558 36.889 38.487 -0.066 0.000 1.135 360 N HN 0.638 nan 8.380 nan 0.000 0.565 361 I N 1.325 121.916 120.570 0.034 0.000 2.293 361 I HA 0.020 4.190 4.170 -0.000 0.000 0.299 361 I C 1.379 177.529 176.117 0.055 0.000 1.153 361 I CA 0.127 61.464 61.300 0.062 0.000 1.302 361 I CB 0.189 38.246 38.000 0.094 0.000 1.460 361 I HN 0.037 nan 8.210 nan 0.000 0.552 362 E N 3.672 123.908 120.200 0.060 0.000 2.190 362 E HA -0.005 4.345 4.350 -0.000 0.000 0.191 362 E C 0.551 177.201 176.600 0.083 0.000 0.978 362 E CA 0.555 56.993 56.400 0.063 0.000 0.839 362 E CB 0.469 30.205 29.700 0.060 0.000 0.787 362 E HN 0.554 nan 8.360 nan 0.000 0.473 363 E N 1.002 121.268 120.200 0.109 0.000 2.281 363 E HA 0.166 4.516 4.350 -0.000 0.000 0.266 363 E C -1.478 175.171 176.600 0.081 0.000 0.893 363 E CA -0.663 55.799 56.400 0.103 0.000 0.798 363 E CB 1.187 30.978 29.700 0.151 0.000 1.245 363 E HN -0.063 nan 8.360 nan 0.000 0.410 364 L N 4.475 125.736 121.223 0.063 0.000 2.455 364 L HA 0.129 4.469 4.340 -0.000 0.000 0.272 364 L C 0.216 177.113 176.870 0.045 0.000 1.174 364 L CA 0.400 55.275 54.840 0.059 0.000 0.869 364 L CB 0.695 42.776 42.059 0.036 0.000 1.130 364 L HN 0.586 nan 8.230 nan 0.000 0.474 365 D N 3.799 124.235 120.400 0.060 0.000 2.525 365 D HA -0.044 4.596 4.640 -0.000 0.000 0.235 365 D C 1.140 177.455 176.300 0.026 0.000 1.137 365 D CA 0.846 54.871 54.000 0.042 0.000 0.868 365 D CB 1.315 42.163 40.800 0.081 0.000 1.180 365 D HN 0.822 nan 8.370 nan 0.000 0.465 366 E N 3.425 123.634 120.200 0.015 0.000 2.097 366 E HA -0.261 4.089 4.350 -0.000 0.000 0.196 366 E C 1.781 178.389 176.600 0.013 0.000 1.000 366 E CA 1.653 58.060 56.400 0.012 0.000 0.804 366 E CB -0.768 28.939 29.700 0.011 0.000 0.740 366 E HN 0.756 nan 8.360 nan 0.000 0.454 367 Q N -1.125 118.688 119.800 0.021 0.000 2.466 367 Q HA 0.347 4.687 4.340 -0.000 0.000 0.210 367 Q C 1.522 177.528 176.000 0.011 0.000 0.961 367 Q CA 0.391 56.207 55.803 0.022 0.000 0.953 367 Q CB 0.333 29.092 28.738 0.036 0.000 1.011 367 Q HN 0.544 nan 8.270 nan 0.000 0.516 368 A N 0.058 122.875 122.820 -0.005 0.000 2.564 368 A HA 0.524 4.844 4.320 -0.000 0.000 0.279 368 A C 0.542 178.085 177.584 -0.067 0.000 1.232 368 A CA -0.239 51.762 52.037 -0.060 0.000 0.950 368 A CB 0.361 19.310 19.000 -0.085 0.000 1.138 368 A HN 0.250 nan 8.150 nan 0.000 0.526 369 A N -1.269 121.531 122.820 -0.033 0.000 2.332 369 A HA 0.517 4.837 4.320 -0.000 0.000 0.258 369 A C 1.524 179.090 177.584 -0.030 0.000 1.087 369 A CA 0.430 52.451 52.037 -0.026 0.000 0.802 369 A CB -0.304 18.690 19.000 -0.010 0.000 1.042 369 A HN 1.882 nan 8.150 nan 0.000 0.489 370 G N -0.657 108.127 108.800 -0.027 0.000 2.148 370 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.254 370 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.254 370 G C -0.043 174.836 174.900 -0.035 0.000 0.981 370 G CA 0.757 45.843 45.100 -0.023 0.000 0.670 370 G HN 0.754 nan 8.290 nan 0.000 0.528 371 L N -1.103 120.086 121.223 -0.058 0.000 2.271 371 L HA 0.533 4.873 4.340 -0.000 0.000 0.265 371 L C 0.312 177.134 176.870 -0.080 0.000 1.013 371 L CA -1.201 53.592 54.840 -0.079 0.000 0.820 371 L CB 1.489 43.477 42.059 -0.118 0.000 1.352 371 L HN 0.100 nan 8.230 nan 0.000 0.443 372 N N 1.131 119.779 118.700 -0.087 0.000 3.228 372 N HA 0.376 5.116 4.740 -0.000 0.000 0.289 372 N C -0.958 174.513 175.510 -0.065 0.000 1.419 372 N CA -0.175 52.836 53.050 -0.064 0.000 1.088 372 N CB 0.178 38.632 38.487 -0.056 0.000 1.357 372 N HN 0.338 nan 8.380 nan 0.000 0.504 373 I N 1.400 121.921 120.570 -0.082 0.000 2.363 373 I HA 0.088 4.258 4.170 -0.000 0.000 0.292 373 I C 0.057 176.173 176.117 -0.001 0.000 1.075 373 I CA -0.643 60.616 61.300 -0.068 0.000 1.333 373 I CB 0.653 38.562 38.000 -0.153 0.000 1.415 373 I HN 0.040 nan 8.210 nan 0.000 0.502 374 V N 6.177 126.115 119.914 0.040 0.000 2.455 374 V HA 0.076 4.196 4.120 -0.000 0.000 0.273 374 V C 1.215 177.343 176.094 0.056 0.000 1.045 374 V CA 0.071 62.399 62.300 0.048 0.000 0.976 374 V CB 1.068 32.927 31.823 0.061 0.000 0.993 374 V HN 0.919 nan 8.190 nan 0.000 0.475 375 T N 0.743 115.322 114.554 0.042 0.000 3.044 375 T HA 0.345 4.695 4.350 -0.000 0.000 0.260 375 T C 0.216 174.936 174.700 0.033 0.000 1.019 375 T CA -0.246 61.880 62.100 0.043 0.000 0.921 375 T CB 0.245 69.136 68.868 0.039 0.000 1.053 375 T HN 0.562 nan 8.240 nan 0.000 0.533 376 E N 1.296 121.515 120.200 0.030 0.000 2.293 376 E HA 0.497 4.847 4.350 -0.000 0.000 0.270 376 E C -0.908 175.713 176.600 0.035 0.000 0.879 376 E CA -0.605 55.810 56.400 0.025 0.000 0.756 376 E CB 1.544 31.255 29.700 0.017 0.000 1.208 376 E HN 0.015 nan 8.360 nan 0.000 0.428 377 T N 2.321 116.898 114.554 0.038 0.000 2.866 377 T HA 0.158 4.508 4.350 -0.000 0.000 0.293 377 T C -0.305 174.434 174.700 0.065 0.000 1.005 377 T CA 0.442 62.584 62.100 0.071 0.000 1.162 377 T CB -0.052 68.833 68.868 0.027 0.000 0.968 377 T HN 0.312 nan 8.240 nan 0.000 0.530 378 T N 4.255 118.869 114.554 0.099 0.000 2.890 378 T HA 0.213 4.563 4.350 -0.000 0.000 0.295 378 T C -0.480 174.280 174.700 0.100 0.000 0.993 378 T CA -0.915 61.225 62.100 0.067 0.000 0.979 378 T CB 1.004 69.893 68.868 0.034 0.000 0.967 378 T HN 0.463 nan 8.240 nan 0.000 0.441 379 D N 2.997 123.447 120.400 0.083 0.000 2.390 379 D HA 0.329 4.969 4.640 -0.000 0.000 0.249 379 D C 0.411 176.749 176.300 0.063 0.000 1.144 379 D CA 0.267 54.325 54.000 0.097 0.000 0.880 379 D CB 1.004 41.840 40.800 0.061 0.000 1.182 379 D HN 0.406 nan 8.370 nan 0.000 0.451 380 R N 0.342 120.880 120.500 0.064 0.000 2.633 380 R HA 0.067 4.407 4.340 -0.000 0.000 0.255 380 R C -1.453 174.864 176.300 0.027 0.000 1.106 380 R CA -0.542 55.577 56.100 0.031 0.000 0.959 380 R CB 1.304 31.609 30.300 0.008 0.000 1.259 380 R HN 0.235 nan 8.270 nan 0.000 0.453 381 E N 5.532 125.745 120.200 0.023 0.000 2.159 381 E HA 0.194 4.544 4.350 -0.000 0.000 0.272 381 E C -0.600 176.007 176.600 0.011 0.000 1.138 381 E CA -0.099 56.312 56.400 0.019 0.000 0.915 381 E CB -0.043 29.667 29.700 0.016 0.000 1.028 381 E HN 0.384 nan 8.360 nan 0.000 0.423 382 L N 4.012 125.237 121.223 0.005 0.000 2.343 382 L HA 0.493 4.833 4.340 -0.000 0.000 0.275 382 L C 1.479 178.357 176.870 0.014 0.000 1.056 382 L CA -0.562 54.282 54.840 0.007 0.000 0.804 382 L CB 1.903 43.956 42.059 -0.009 0.000 1.203 382 L HN 0.541 nan 8.230 nan 0.000 0.440 383 T N -1.390 113.176 114.554 0.020 0.000 3.028 383 T HA 0.099 4.449 4.350 -0.000 0.000 0.250 383 T C 0.256 174.972 174.700 0.026 0.000 0.979 383 T CA 0.319 62.431 62.100 0.019 0.000 1.004 383 T CB 0.643 69.519 68.868 0.015 0.000 1.120 383 T HN 0.607 nan 8.240 nan 0.000 0.482 384 T N 2.800 117.375 114.554 0.035 0.000 2.879 384 T HA 0.672 5.022 4.350 -0.000 0.000 0.290 384 T C -0.829 173.904 174.700 0.055 0.000 0.993 384 T CA -0.709 61.416 62.100 0.041 0.000 0.975 384 T CB 2.075 70.967 68.868 0.041 0.000 0.981 384 T HN 0.209 nan 8.240 nan 0.000 0.439 385 V N 1.038 120.987 119.914 0.059 0.000 2.914 385 V HA 0.872 4.992 4.120 -0.000 0.000 0.314 385 V C -0.708 175.402 176.094 0.028 0.000 1.084 385 V CA -1.231 61.112 62.300 0.071 0.000 0.963 385 V CB 2.204 34.115 31.823 0.147 0.000 1.025 385 V HN 0.977 nan 8.190 nan 0.000 0.432 386 M N 2.947 122.529 119.600 -0.030 0.000 2.464 386 M HA 0.757 5.237 4.480 -0.000 0.000 0.308 386 M C -1.014 175.233 176.300 -0.089 0.000 1.127 386 M CA -0.275 55.008 55.300 -0.027 0.000 0.913 386 M CB 2.173 34.788 32.600 0.025 0.000 1.689 386 M HN 0.998 nan 8.290 nan 0.000 0.445 387 S N 3.295 118.957 115.700 -0.064 0.000 2.672 387 S HA 0.572 5.042 4.470 -0.000 0.000 0.291 387 S C -1.477 173.049 174.600 -0.124 0.000 1.145 387 S CA -0.781 57.361 58.200 -0.097 0.000 1.013 387 S CB 0.992 64.145 63.200 -0.079 0.000 1.017 387 S HN 0.842 nan 8.310 nan 0.000 0.487 388 N N 2.241 120.832 118.700 -0.182 0.000 2.473 388 N HA 0.574 5.314 4.740 -0.000 0.000 0.291 388 N C -1.201 173.962 175.510 -0.579 0.000 1.083 388 N CA -0.319 52.506 53.050 -0.375 0.000 0.951 388 N CB 1.816 40.058 38.487 -0.408 0.000 1.164 388 N HN 0.502 nan 8.380 nan 0.000 0.480 389 S N 1.349 116.564 115.700 -0.808 0.000 2.571 389 S HA 0.668 5.138 4.470 -0.000 0.000 0.284 389 S C -1.157 172.797 174.600 -1.078 0.000 1.128 389 S CA -0.627 57.020 58.200 -0.921 0.000 0.970 389 S CB 0.752 63.694 63.200 -0.431 0.000 1.039 389 S HN 0.304 nan 8.310 nan 0.000 0.485 390 F N 0.551 119.923 119.950 -0.963 0.000 2.611 390 F HA 0.913 5.440 4.527 -0.000 0.000 0.324 390 F C 0.719 176.355 175.800 -0.273 0.000 1.061 390 F CA -0.948 56.794 58.000 -0.429 0.000 0.954 390 F CB 1.750 40.601 39.000 -0.247 0.000 1.301 390 F HN 0.728 nan 8.300 nan 0.000 0.482 391 G N 0.058 108.963 108.800 0.174 0.000 2.660 391 G HA2 0.568 4.528 3.960 -0.000 0.000 0.294 391 G HA3 0.568 4.528 3.960 -0.000 0.000 0.294 391 G C -1.576 173.501 174.900 0.294 0.000 1.369 391 G CA -0.747 44.439 45.100 0.145 0.000 0.912 391 G HN 0.224 nan 8.290 nan 0.000 0.479 392 F N 0.587 120.641 119.950 0.173 0.000 2.646 392 F HA 0.319 4.846 4.527 -0.000 0.000 0.363 392 F C 1.765 177.625 175.800 0.100 0.000 1.143 392 F CA 1.283 59.365 58.000 0.137 0.000 1.356 392 F CB 0.467 39.551 39.000 0.140 0.000 1.055 392 F HN 1.222 nan 8.300 nan 0.000 0.606 393 G N 0.712 109.668 108.800 0.260 0.000 2.176 393 G HA2 0.035 3.995 3.960 -0.000 0.000 0.253 393 G HA3 0.035 3.995 3.960 -0.000 0.000 0.253 393 G C 0.854 175.825 174.900 0.118 0.000 0.979 393 G CA 0.363 45.552 45.100 0.149 0.000 0.641 393 G HN 1.976 nan 8.290 nan 0.000 0.530 394 G N -0.983 107.901 108.800 0.140 0.000 2.272 394 G HA2 0.108 4.068 3.960 -0.000 0.000 0.280 394 G HA3 0.108 4.068 3.960 -0.000 0.000 0.280 394 G C 0.293 175.254 174.900 0.101 0.000 1.067 394 G CA 1.338 46.494 45.100 0.093 0.000 0.902 394 G HN 1.964 nan 8.290 nan 0.000 0.500 395 T N 0.340 114.987 114.554 0.156 0.000 2.767 395 T HA 0.588 4.938 4.350 -0.000 0.000 0.284 395 T C -0.038 174.826 174.700 0.273 0.000 0.973 395 T CA -0.634 61.583 62.100 0.195 0.000 0.996 395 T CB 0.375 69.364 68.868 0.202 0.000 0.927 395 T HN 0.336 nan 8.240 nan 0.000 0.456 396 N N 3.012 121.886 118.700 0.290 0.000 2.284 396 N HA 0.693 5.433 4.740 -0.000 0.000 0.300 396 N C -1.241 174.392 175.510 0.204 0.000 1.047 396 N CA -0.617 52.632 53.050 0.331 0.000 0.821 396 N CB 2.115 40.767 38.487 0.276 0.000 1.337 396 N HN 0.744 nan 8.380 nan 0.000 0.482 397 A N 0.825 123.639 122.820 -0.009 0.000 2.414 397 A HA 0.801 5.121 4.320 -0.000 0.000 0.306 397 A C -0.728 176.804 177.584 -0.088 0.000 1.054 397 A CA -0.485 51.461 52.037 -0.151 0.000 0.724 397 A CB 1.378 20.041 19.000 -0.562 0.000 1.267 397 A HN 0.457 nan 8.150 nan 0.000 0.418 398 T N 2.053 116.614 114.554 0.012 0.000 2.916 398 T HA 0.599 4.949 4.350 -0.000 0.000 0.298 398 T C -0.887 173.867 174.700 0.090 0.000 1.031 398 T CA -0.241 61.867 62.100 0.014 0.000 0.993 398 T CB 0.956 69.849 68.868 0.042 0.000 1.045 398 T HN 0.496 nan 8.240 nan 0.000 0.454 399 L N 2.617 123.862 121.223 0.037 0.000 2.346 399 L HA 0.774 5.114 4.340 -0.000 0.000 0.276 399 L C -0.797 176.093 176.870 0.033 0.000 1.006 399 L CA -1.118 53.752 54.840 0.050 0.000 0.817 399 L CB 2.006 44.054 42.059 -0.018 0.000 1.272 399 L HN 0.333 nan 8.230 nan 0.000 0.421 400 V N 3.889 123.834 119.914 0.051 0.000 2.448 400 V HA 0.527 4.647 4.120 -0.000 0.000 0.295 400 V C -0.184 175.928 176.094 0.031 0.000 1.025 400 V CA -0.375 61.951 62.300 0.043 0.000 0.859 400 V CB 1.803 33.661 31.823 0.058 0.000 0.988 400 V HN 0.707 nan 8.190 nan 0.000 0.431 401 M N 5.176 124.790 119.600 0.024 0.000 2.393 401 M HA 0.675 5.155 4.480 -0.000 0.000 0.316 401 M C -0.565 175.749 176.300 0.024 0.000 1.087 401 M CA -0.355 54.954 55.300 0.016 0.000 0.937 401 M CB 2.518 35.122 32.600 0.007 0.000 1.668 401 M HN 0.557 nan 8.290 nan 0.000 0.438 402 R N 1.364 121.875 120.500 0.017 0.000 2.673 402 R HA 0.478 4.818 4.340 -0.000 0.000 0.281 402 R C -1.115 175.189 176.300 0.007 0.000 0.991 402 R CA -0.817 55.293 56.100 0.016 0.000 0.896 402 R CB 1.938 32.247 30.300 0.015 0.000 1.201 402 R HN 0.650 nan 8.270 nan 0.000 0.457 403 K N 2.917 123.320 120.400 0.006 0.000 2.485 403 K HA 0.019 4.339 4.320 -0.000 0.000 0.277 403 K C 0.251 176.843 176.600 -0.015 0.000 0.990 403 K CA 0.201 56.483 56.287 -0.008 0.000 0.994 403 K CB 0.461 32.957 32.500 -0.007 0.000 0.906 403 K HN 0.416 nan 8.250 nan 0.000 0.488 404 L N 0.000 121.206 121.223 -0.029 0.000 2.949 404 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 404 L CA 0.000 54.823 54.840 -0.028 0.000 0.813 404 L CB 0.000 42.035 42.059 -0.041 0.000 0.961 404 L HN 0.000 nan 8.230 nan 0.000 0.502