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 2byw_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKRVVITGLG IVSSIGNNQQ EVLASLREGR SGITFSQELK DSGMRSHVWG DATA SEQUENCE NVKLDTTGLI DRKVVRFMSD ASIYAFLSME QAIADAGLSP EAYQNNPRVG DATA SEQUENCE LIAGSGGGSP RFQVFGADAM RGPRGLKAVG PYVVTKAMAS GVSACLATPF DATA SEQUENCE KIHGVNYSIS SACATSAHCI GNAVEQIQLG KQDIVFAGGG EELCWEMACE DATA SEQUENCE FDAMGALSTK YNDTPEKASR TYDAHRDGFV IAGGGGMVVV EELEHALARG DATA SEQUENCE AHIYAEIVGY GATSDGADMV APSGEGAVRC MKMAMHGVDT PIDYLNSHGT DATA SEQUENCE STPVGDVKEL AAIREVFGDK SPAISATAAM TGHSLGAAGV QEAIYSLLML DATA SEQUENCE EHGFIAPSIN IEELDEQAAG LNIVTETTDR ELTTVMSNSF GFGGTNATLV DATA SEQUENCE MRKLKD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.307 176.300 0.011 0.000 1.140 1 M CA 0.000 55.308 55.300 0.013 0.000 0.988 1 M CB 0.000 32.609 32.600 0.015 0.000 1.302 2 K N 1.945 122.350 120.400 0.008 0.000 2.382 2 K HA 0.361 4.681 4.320 -0.000 0.000 0.275 2 K C -0.576 176.026 176.600 0.003 0.000 1.009 2 K CA 0.116 56.405 56.287 0.004 0.000 0.970 2 K CB 0.399 32.898 32.500 -0.002 0.000 0.934 2 K HN 0.493 nan 8.250 nan 0.000 0.479 3 R N 0.658 121.159 120.500 0.002 0.000 2.457 3 R HA 0.417 4.757 4.340 -0.000 0.000 0.284 3 R C -0.345 175.949 176.300 -0.011 0.000 1.024 3 R CA -0.721 55.379 56.100 -0.000 0.000 1.025 3 R CB 1.023 31.324 30.300 0.002 0.000 1.063 3 R HN 0.216 nan 8.270 nan 0.000 0.493 4 V N 2.999 122.904 119.914 -0.015 0.000 2.656 4 V HA 0.498 4.618 4.120 -0.000 0.000 0.307 4 V C -0.137 175.937 176.094 -0.034 0.000 1.051 4 V CA -0.815 61.465 62.300 -0.033 0.000 0.893 4 V CB 1.719 33.515 31.823 -0.045 0.000 0.999 4 V HN 0.635 nan 8.190 nan 0.000 0.426 5 V N 1.791 121.679 119.914 -0.043 0.000 3.141 5 V HA 0.705 4.825 4.120 -0.000 0.000 0.312 5 V C -0.932 175.134 176.094 -0.047 0.000 1.157 5 V CA -0.949 61.328 62.300 -0.038 0.000 1.041 5 V CB 2.498 34.300 31.823 -0.035 0.000 1.071 5 V HN 0.570 nan 8.190 nan 0.000 0.441 6 I N 2.569 123.125 120.570 -0.023 0.000 2.321 6 I HA 0.451 4.621 4.170 -0.000 0.000 0.291 6 I C 1.101 177.263 176.117 0.075 0.000 0.998 6 I CA 0.162 61.459 61.300 -0.005 0.000 1.227 6 I CB 1.151 39.145 38.000 -0.011 0.000 1.368 6 I HN 1.045 nan 8.210 nan 0.000 0.466 7 T N 1.153 115.740 114.554 0.055 0.000 3.044 7 T HA 0.502 4.852 4.350 -0.000 0.000 0.260 7 T C 0.542 175.357 174.700 0.193 0.000 1.019 7 T CA -0.274 61.872 62.100 0.076 0.000 0.921 7 T CB 0.472 69.343 68.868 0.006 0.000 1.053 7 T HN 0.763 nan 8.240 nan 0.000 0.533 8 G N 1.347 110.282 108.800 0.225 0.000 2.616 8 G HA2 0.547 4.507 3.960 -0.000 0.000 0.294 8 G HA3 0.547 4.507 3.960 -0.000 0.000 0.294 8 G C -2.093 172.832 174.900 0.042 0.000 1.489 8 G CA -0.909 44.331 45.100 0.234 0.000 0.836 8 G HN 0.656 nan 8.290 nan 0.000 0.527 9 L N -1.250 119.970 121.223 -0.005 0.000 2.469 9 L HA 1.065 5.405 4.340 -0.000 0.000 0.256 9 L C -0.058 176.771 176.870 -0.068 0.000 1.006 9 L CA -0.868 53.897 54.840 -0.125 0.000 0.832 9 L CB 1.856 43.725 42.059 -0.317 0.000 1.421 9 L HN 1.311 nan 8.230 nan 0.000 0.410 10 G N 0.753 109.502 108.800 -0.086 0.000 2.706 10 G HA2 0.765 4.725 3.960 -0.000 0.000 0.297 10 G HA3 0.765 4.725 3.960 -0.000 0.000 0.297 10 G C -2.064 172.793 174.900 -0.073 0.000 1.403 10 G CA -0.623 44.439 45.100 -0.063 0.000 0.954 10 G HN 1.026 nan 8.290 nan 0.000 0.500 11 I N 0.687 121.228 120.570 -0.048 0.000 2.787 11 I HA 0.592 4.762 4.170 -0.000 0.000 0.294 11 I C -1.560 174.535 176.117 -0.036 0.000 1.365 11 I CA -0.936 60.330 61.300 -0.057 0.000 1.029 11 I CB 2.329 40.287 38.000 -0.070 0.000 1.313 11 I HN 0.356 nan 8.210 nan 0.000 0.431 12 V N 6.381 126.257 119.914 -0.062 0.000 2.398 12 V HA 0.547 4.667 4.120 -0.000 0.000 0.282 12 V C -0.256 175.734 176.094 -0.174 0.000 1.014 12 V CA -0.203 62.040 62.300 -0.095 0.000 0.838 12 V CB 1.247 33.020 31.823 -0.083 0.000 1.018 12 V HN 0.826 nan 8.190 nan 0.000 0.432 13 S N 2.333 117.964 115.700 -0.116 0.000 2.740 13 S HA 0.472 4.942 4.470 -0.000 0.000 0.300 13 S C 1.191 175.725 174.600 -0.109 0.000 1.147 13 S CA 0.098 58.232 58.200 -0.109 0.000 0.871 13 S CB 1.749 64.975 63.200 0.045 0.000 1.173 13 S HN 0.878 nan 8.310 nan 0.000 0.510 14 S N 0.329 115.971 115.700 -0.096 0.000 2.469 14 S HA -0.081 4.389 4.470 -0.000 0.000 0.238 14 S C 1.444 176.013 174.600 -0.050 0.000 0.998 14 S CA 1.059 59.206 58.200 -0.087 0.000 0.957 14 S CB -1.149 62.011 63.200 -0.068 0.000 0.764 14 S HN 1.001 nan 8.310 nan 0.000 0.514 15 I N -2.515 118.033 120.570 -0.036 0.000 3.941 15 I HA 0.663 4.833 4.170 -0.000 0.000 0.335 15 I C 0.550 176.651 176.117 -0.027 0.000 1.402 15 I CA -0.395 60.879 61.300 -0.043 0.000 1.112 15 I CB 0.195 38.141 38.000 -0.090 0.000 1.043 15 I HN 0.283 nan 8.210 nan 0.000 0.395 16 G N 1.063 109.853 108.800 -0.017 0.000 2.378 16 G HA2 0.038 3.998 3.960 -0.000 0.000 0.302 16 G HA3 0.038 3.998 3.960 -0.000 0.000 0.302 16 G C -0.809 174.084 174.900 -0.011 0.000 1.669 16 G CA -0.646 44.449 45.100 -0.008 0.000 0.920 16 G HN -0.005 nan 8.290 nan 0.000 0.697 17 N N 0.188 118.882 118.700 -0.010 0.000 2.322 17 N HA 0.095 4.835 4.740 -0.000 0.000 0.194 17 N C 0.367 175.880 175.510 0.005 0.000 1.126 17 N CA 0.708 53.753 53.050 -0.009 0.000 0.845 17 N CB 0.206 38.693 38.487 0.000 0.000 0.976 17 N HN 0.821 nan 8.380 nan 0.000 0.475 18 N N -1.842 116.864 118.700 0.010 0.000 3.227 18 N HA -0.018 4.722 4.740 -0.000 0.000 0.241 18 N C 0.341 175.868 175.510 0.028 0.000 1.480 18 N CA -0.688 52.372 53.050 0.018 0.000 0.886 18 N CB 0.476 38.975 38.487 0.021 0.000 1.406 18 N HN -0.150 nan 8.380 nan 0.000 0.514 19 Q N -1.140 118.683 119.800 0.038 0.000 2.226 19 Q HA -0.131 4.209 4.340 -0.000 0.000 0.204 19 Q C 0.678 176.708 176.000 0.050 0.000 0.975 19 Q CA 1.485 57.323 55.803 0.059 0.000 0.866 19 Q CB -0.272 28.513 28.738 0.079 0.000 0.915 19 Q HN 0.616 nan 8.270 nan 0.000 0.440 20 Q N 1.376 121.196 119.800 0.033 0.000 2.016 20 Q HA -0.112 4.228 4.340 -0.000 0.000 0.200 20 Q C 1.822 177.811 176.000 -0.020 0.000 0.978 20 Q CA 1.989 57.793 55.803 0.003 0.000 0.833 20 Q CB -0.017 28.725 28.738 0.006 0.000 0.895 20 Q HN 0.567 nan 8.270 nan 0.000 0.427 21 E N -0.332 119.864 120.200 -0.007 0.000 2.110 21 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 21 E C 1.984 178.574 176.600 -0.017 0.000 0.988 21 E CA 1.230 57.621 56.400 -0.016 0.000 0.804 21 E CB -0.030 29.665 29.700 -0.008 0.000 0.745 21 E HN 0.108 nan 8.360 nan 0.000 0.458 22 V N 1.497 121.418 119.914 0.011 0.000 2.358 22 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 22 V C 2.301 178.400 176.094 0.008 0.000 1.047 22 V CA 1.395 63.714 62.300 0.032 0.000 1.035 22 V CB -0.379 31.524 31.823 0.134 0.000 0.658 22 V HN 0.229 nan 8.190 nan 0.000 0.452 23 L N 1.102 122.326 121.223 0.001 0.000 2.012 23 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 23 L C 2.455 179.243 176.870 -0.137 0.000 1.073 23 L CA 2.549 57.356 54.840 -0.057 0.000 0.748 23 L CB -1.052 40.900 42.059 -0.179 0.000 0.891 23 L HN 0.225 nan 8.230 nan 0.000 0.431 24 A N -1.469 121.276 122.820 -0.126 0.000 1.908 24 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 24 A C 2.402 179.918 177.584 -0.113 0.000 1.181 24 A CA 2.133 54.090 52.037 -0.133 0.000 0.627 24 A CB -1.024 17.921 19.000 -0.093 0.000 0.818 24 A HN 0.560 nan 8.150 nan 0.000 0.445 25 S N -0.278 115.371 115.700 -0.084 0.000 2.368 25 S HA -0.052 4.418 4.470 -0.000 0.000 0.224 25 S C 1.827 176.377 174.600 -0.083 0.000 1.029 25 S CA 1.347 59.500 58.200 -0.079 0.000 0.988 25 S CB -0.425 62.729 63.200 -0.077 0.000 0.838 25 S HN 0.510 nan 8.310 nan 0.000 0.462 26 L N 0.977 122.159 121.223 -0.069 0.000 2.046 26 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 26 L C 2.757 179.648 176.870 0.035 0.000 1.077 26 L CA 1.033 55.876 54.840 0.006 0.000 0.747 26 L CB -0.435 41.719 42.059 0.158 0.000 0.896 26 L HN 0.174 nan 8.230 nan 0.000 0.432 27 R N 0.070 120.479 120.500 -0.151 0.000 2.096 27 R HA -0.166 4.174 4.340 -0.000 0.000 0.235 27 R C 1.949 178.160 176.300 -0.148 0.000 1.127 27 R CA 1.167 57.080 56.100 -0.311 0.000 0.968 27 R CB -0.339 29.666 30.300 -0.492 0.000 0.861 27 R HN 0.481 nan 8.270 nan 0.000 0.440 28 E N -0.171 119.963 120.200 -0.110 0.000 2.442 28 E HA -0.008 4.342 4.350 -0.000 0.000 0.195 28 E C 0.271 176.843 176.600 -0.046 0.000 1.030 28 E CA 0.459 56.814 56.400 -0.074 0.000 0.869 28 E CB 0.222 29.880 29.700 -0.071 0.000 0.857 28 E HN 0.414 nan 8.360 nan 0.000 0.505 29 G N 2.428 111.205 108.800 -0.039 0.000 2.221 29 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.265 29 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.265 29 G C 0.077 174.956 174.900 -0.036 0.000 1.041 29 G CA 0.632 45.716 45.100 -0.028 0.000 0.807 29 G HN 0.302 nan 8.290 nan 0.000 0.502 30 R N 0.250 120.723 120.500 -0.046 0.000 2.438 30 R HA 0.475 4.815 4.340 -0.000 0.000 0.287 30 R C 0.724 176.999 176.300 -0.040 0.000 1.077 30 R CA 0.348 56.424 56.100 -0.039 0.000 1.034 30 R CB 0.513 30.788 30.300 -0.041 0.000 0.993 30 R HN 0.273 nan 8.270 nan 0.000 0.459 31 S N 1.765 117.451 115.700 -0.023 0.000 2.562 31 S HA 0.316 4.786 4.470 -0.000 0.000 0.275 31 S C 0.785 175.383 174.600 -0.004 0.000 1.281 31 S CA -0.321 57.870 58.200 -0.015 0.000 1.045 31 S CB 1.409 64.610 63.200 0.001 0.000 0.962 31 S HN 0.779 nan 8.310 nan 0.000 0.503 32 G N 3.759 112.557 108.800 -0.003 0.000 3.277 32 G HA2 0.234 4.194 3.960 -0.000 0.000 0.243 32 G HA3 0.234 4.194 3.960 -0.000 0.000 0.243 32 G C 0.096 175.024 174.900 0.047 0.000 1.107 32 G CA -0.246 44.858 45.100 0.007 0.000 0.771 32 G HN 0.613 nan 8.290 nan 0.000 0.544 33 I N 2.725 123.337 120.570 0.070 0.000 2.395 33 I HA 0.366 4.536 4.170 -0.000 0.000 0.289 33 I C 0.640 176.856 176.117 0.165 0.000 1.023 33 I CA -0.266 61.111 61.300 0.129 0.000 1.350 33 I CB 0.395 38.461 38.000 0.110 0.000 1.409 33 I HN 0.078 nan 8.210 nan 0.000 0.507 34 T N 2.753 117.461 114.554 0.257 0.000 2.865 34 T HA 0.537 4.887 4.350 -0.000 0.000 0.294 34 T C -0.525 174.327 174.700 0.252 0.000 1.119 34 T CA -0.747 61.509 62.100 0.260 0.000 1.007 34 T CB 1.801 70.836 68.868 0.278 0.000 1.225 34 T HN 0.206 nan 8.240 nan 0.000 0.515 35 F N 1.751 121.749 119.950 0.080 0.000 2.484 35 F HA 0.556 5.083 4.527 -0.000 0.000 0.360 35 F C 0.456 176.171 175.800 -0.141 0.000 1.101 35 F CA -0.227 57.764 58.000 -0.015 0.000 1.251 35 F CB 0.896 39.897 39.000 0.002 0.000 1.132 35 F HN 0.676 nan 8.300 nan 0.000 0.570 36 S N 5.070 119.951 115.700 -1.365 0.000 2.594 36 S HA 0.191 4.660 4.470 -0.000 0.000 0.322 36 S C 0.584 174.306 174.600 -1.464 0.000 1.085 36 S CA -0.673 56.644 58.200 -1.471 0.000 1.116 36 S CB 1.203 63.060 63.200 -2.238 0.000 0.979 36 S HN 0.888 nan 8.310 nan 0.000 0.465 37 Q N 3.478 122.735 119.800 -0.905 0.000 2.119 37 Q HA -0.084 4.256 4.340 -0.000 0.000 0.201 37 Q C 1.773 177.519 176.000 -0.423 0.000 0.972 37 Q CA 2.194 57.710 55.803 -0.477 0.000 0.847 37 Q CB -0.182 28.510 28.738 -0.076 0.000 0.903 37 Q HN 0.911 nan 8.270 nan 0.000 0.433 38 E N -0.505 119.451 120.200 -0.407 0.000 2.058 38 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 38 E C 1.813 178.229 176.600 -0.308 0.000 0.997 38 E CA 1.325 57.574 56.400 -0.253 0.000 0.801 38 E CB -0.164 29.509 29.700 -0.045 0.000 0.746 38 E HN 0.460 nan 8.360 nan 0.000 0.450 39 L N 0.575 121.503 121.223 -0.492 0.000 2.056 39 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 39 L C 2.852 179.530 176.870 -0.320 0.000 1.078 39 L CA 1.279 55.935 54.840 -0.307 0.000 0.749 39 L CB -0.476 41.370 42.059 -0.355 0.000 0.901 39 L HN 0.132 nan 8.230 nan 0.000 0.433 40 K N 0.305 120.376 120.400 -0.548 0.000 2.026 40 K HA -0.198 4.122 4.320 -0.000 0.000 0.208 40 K C 1.657 178.029 176.600 -0.379 0.000 1.048 40 K CA 1.757 57.629 56.287 -0.692 0.000 0.929 40 K CB 0.008 32.045 32.500 -0.773 0.000 0.713 40 K HN 0.222 nan 8.250 nan 0.000 0.439 41 D N 0.262 120.472 120.400 -0.317 0.000 2.218 41 D HA -0.131 4.509 4.640 -0.000 0.000 0.204 41 D C 1.893 178.006 176.300 -0.311 0.000 0.976 41 D CA 1.470 55.315 54.000 -0.258 0.000 0.853 41 D CB -0.137 40.527 40.800 -0.227 0.000 0.939 41 D HN 0.347 nan 8.370 nan 0.000 0.481 42 S N -0.770 114.705 115.700 -0.374 0.000 2.481 42 S HA 0.108 4.578 4.470 -0.000 0.000 0.231 42 S C 1.773 176.211 174.600 -0.270 0.000 0.996 42 S CA 1.088 58.990 58.200 -0.496 0.000 0.942 42 S CB 0.181 63.087 63.200 -0.489 0.000 0.768 42 S HN 0.333 nan 8.310 nan 0.000 0.520 43 G N 0.444 109.146 108.800 -0.164 0.000 2.163 43 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.213 43 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.213 43 G C 0.017 174.926 174.900 0.015 0.000 0.991 43 G CA 0.037 45.095 45.100 -0.070 0.000 0.653 43 G HN 0.479 nan 8.290 nan 0.000 0.518 44 M N -0.375 119.249 119.600 0.040 0.000 2.198 44 M HA 0.406 4.886 4.480 -0.000 0.000 0.315 44 M C 1.852 178.271 176.300 0.198 0.000 1.134 44 M CA 0.116 55.484 55.300 0.113 0.000 1.171 44 M CB 0.492 33.167 32.600 0.126 0.000 1.413 44 M HN 0.150 nan 8.290 nan 0.000 0.467 45 R N -0.419 120.142 120.500 0.102 0.000 2.189 45 R HA 0.114 4.454 4.340 -0.000 0.000 0.203 45 R C 0.424 176.616 176.300 -0.179 0.000 1.012 45 R CA 0.181 56.270 56.100 -0.018 0.000 1.015 45 R CB 0.270 30.553 30.300 -0.027 0.000 0.938 45 R HN 0.560 nan 8.270 nan 0.000 0.472 46 S N 0.381 116.070 115.700 -0.019 0.000 2.452 46 S HA 0.138 4.608 4.470 -0.000 0.000 0.284 46 S C -0.043 174.622 174.600 0.109 0.000 1.171 46 S CA -0.547 57.634 58.200 -0.033 0.000 1.064 46 S CB 0.369 63.565 63.200 -0.007 0.000 0.967 46 S HN 0.337 nan 8.310 nan 0.000 0.484 47 H N 2.778 121.807 119.070 -0.069 0.000 2.512 47 H HA 0.321 4.877 4.556 -0.000 0.000 0.276 47 H C 0.003 175.145 175.328 -0.309 0.000 1.126 47 H CA -0.551 55.369 56.048 -0.214 0.000 1.060 47 H CB 0.632 30.374 29.762 -0.035 0.000 1.646 47 H HN 0.463 nan 8.280 nan 0.000 0.571 48 V N -1.720 118.164 119.914 -0.051 0.000 2.914 48 V HA 0.639 4.759 4.120 -0.000 0.000 0.314 48 V C -1.355 174.807 176.094 0.114 0.000 1.084 48 V CA -0.911 61.382 62.300 -0.011 0.000 0.963 48 V CB 2.234 34.125 31.823 0.114 0.000 1.025 48 V HN 0.380 nan 8.190 nan 0.000 0.432 49 W N 0.999 122.314 121.300 0.025 0.000 3.066 49 W HA 0.810 5.470 4.660 -0.000 0.000 0.330 49 W C -0.332 176.202 176.519 0.026 0.000 1.253 49 W CA -1.702 55.659 57.345 0.027 0.000 1.187 49 W CB 0.815 30.288 29.460 0.022 0.000 1.434 49 W HN 1.038 nan 8.180 nan 0.000 0.572 50 G N 3.460 112.365 108.800 0.174 0.000 2.857 50 G HA2 0.325 4.285 3.960 -0.000 0.000 0.326 50 G HA3 0.325 4.285 3.960 -0.000 0.000 0.326 50 G C -0.312 174.455 174.900 -0.221 0.000 0.950 50 G CA -0.629 44.476 45.100 0.009 0.000 1.400 50 G HN 0.582 nan 8.290 nan 0.000 0.473 51 N N 0.887 119.362 118.700 -0.375 0.000 2.515 51 N HA 0.195 4.935 4.740 -0.000 0.000 0.279 51 N C -0.355 174.965 175.510 -0.317 0.000 1.164 51 N CA -0.601 52.098 53.050 -0.586 0.000 0.982 51 N CB 1.936 39.935 38.487 -0.813 0.000 1.170 51 N HN -0.040 nan 8.380 nan 0.000 0.474 52 V N 1.491 121.202 119.914 -0.337 0.000 2.427 52 V HA 0.063 4.183 4.120 -0.000 0.000 0.268 52 V C 0.250 176.268 176.094 -0.127 0.000 1.046 52 V CA -0.418 61.723 62.300 -0.265 0.000 0.970 52 V CB -0.017 31.541 31.823 -0.442 0.000 1.001 52 V HN 0.570 nan 8.190 nan 0.000 0.476 53 K N 5.609 125.963 120.400 -0.077 0.000 2.187 53 K HA 0.534 4.854 4.320 -0.000 0.000 0.242 53 K C -0.819 175.779 176.600 -0.004 0.000 1.179 53 K CA 0.105 56.379 56.287 -0.021 0.000 1.097 53 K CB 0.108 32.606 32.500 -0.004 0.000 1.634 53 K HN 0.475 nan 8.250 nan 0.000 0.335 54 L N 0.720 121.951 121.223 0.014 0.000 2.526 54 L HA 0.340 4.680 4.340 -0.000 0.000 0.263 54 L C -1.759 175.143 176.870 0.053 0.000 0.943 54 L CA -0.595 54.266 54.840 0.034 0.000 0.859 54 L CB 2.238 44.321 42.059 0.041 0.000 1.313 54 L HN 0.252 nan 8.230 nan 0.000 0.406 55 D N 1.753 122.179 120.400 0.044 0.000 2.441 55 D HA 0.234 4.874 4.640 -0.000 0.000 0.221 55 D C 1.068 177.392 176.300 0.040 0.000 1.156 55 D CA 0.477 54.501 54.000 0.040 0.000 0.896 55 D CB 1.064 41.882 40.800 0.030 0.000 1.028 55 D HN 0.681 nan 8.370 nan 0.000 0.509 56 T N -0.048 114.533 114.554 0.046 0.000 3.113 56 T HA -0.041 4.309 4.350 -0.000 0.000 0.263 56 T C 0.851 175.554 174.700 0.004 0.000 1.143 56 T CA -0.121 62.001 62.100 0.037 0.000 1.090 56 T CB -0.548 68.341 68.868 0.035 0.000 0.922 56 T HN 0.272 nan 8.240 nan 0.000 0.521 57 T N 2.508 117.062 114.554 0.000 0.000 2.822 57 T HA 0.390 4.740 4.350 -0.000 0.000 0.288 57 T C 1.518 176.210 174.700 -0.014 0.000 0.991 57 T CA 0.731 62.823 62.100 -0.015 0.000 1.176 57 T CB -0.050 68.814 68.868 -0.007 0.000 0.951 57 T HN 0.747 nan 8.240 nan 0.000 0.526 58 G N 2.750 111.531 108.800 -0.032 0.000 2.162 58 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.260 58 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.260 58 G C 0.781 175.672 174.900 -0.016 0.000 0.976 58 G CA 0.282 45.365 45.100 -0.028 0.000 0.655 58 G HN 0.698 nan 8.290 nan 0.000 0.533 59 L N -0.578 120.640 121.223 -0.009 0.000 2.446 59 L HA 0.401 4.741 4.340 -0.000 0.000 0.219 59 L C 1.203 178.086 176.870 0.022 0.000 1.116 59 L CA 0.626 55.481 54.840 0.025 0.000 0.844 59 L CB 0.036 42.127 42.059 0.054 0.000 0.970 59 L HN 0.282 nan 8.230 nan 0.000 0.457 60 I N -0.865 119.666 120.570 -0.065 0.000 2.608 60 I HA 0.161 4.331 4.170 -0.000 0.000 0.295 60 I C -0.440 175.575 176.117 -0.170 0.000 1.049 60 I CA -0.940 60.257 61.300 -0.173 0.000 1.063 60 I CB 2.278 40.027 38.000 -0.419 0.000 1.248 60 I HN -0.165 nan 8.210 nan 0.000 0.424 61 D N 3.640 123.944 120.400 -0.160 0.000 2.525 61 D HA -0.021 4.619 4.640 -0.000 0.000 0.235 61 D C 1.259 177.466 176.300 -0.156 0.000 1.137 61 D CA 0.520 54.446 54.000 -0.124 0.000 0.868 61 D CB 0.913 41.652 40.800 -0.101 0.000 1.180 61 D HN 0.389 nan 8.370 nan 0.000 0.465 62 R N 2.542 122.966 120.500 -0.126 0.000 2.103 62 R HA -0.178 4.162 4.340 -0.000 0.000 0.242 62 R C 1.775 177.969 176.300 -0.177 0.000 1.142 62 R CA 1.523 57.534 56.100 -0.148 0.000 0.960 62 R CB -0.113 30.119 30.300 -0.113 0.000 0.858 62 R HN 0.481 nan 8.270 nan 0.000 0.439 63 K N 0.032 120.360 120.400 -0.119 0.000 2.362 63 K HA -0.043 4.277 4.320 -0.000 0.000 0.200 63 K C 1.799 178.391 176.600 -0.012 0.000 1.046 63 K CA 0.854 57.096 56.287 -0.074 0.000 0.952 63 K CB 0.269 32.763 32.500 -0.011 0.000 0.753 63 K HN 0.054 nan 8.250 nan 0.000 0.466 64 V N -0.144 119.716 119.914 -0.089 0.000 2.492 64 V HA -0.099 4.021 4.120 -0.000 0.000 0.241 64 V C 1.886 177.889 176.094 -0.152 0.000 1.041 64 V CA 0.823 63.067 62.300 -0.093 0.000 1.057 64 V CB 0.216 31.887 31.823 -0.253 0.000 0.711 64 V HN 0.062 nan 8.190 nan 0.000 0.468 65 V N 2.471 122.218 119.914 -0.280 0.000 2.867 65 V HA -0.207 3.913 4.120 -0.000 0.000 0.260 65 V C 2.737 178.629 176.094 -0.337 0.000 1.099 65 V CA 2.147 64.260 62.300 -0.312 0.000 1.122 65 V CB -0.696 30.948 31.823 -0.298 0.000 0.708 65 V HN 0.718 nan 8.190 nan 0.000 0.490 66 R N -1.078 119.155 120.500 -0.444 0.000 2.241 66 R HA -0.107 4.233 4.340 -0.000 0.000 0.224 66 R C 1.673 177.427 176.300 -0.909 0.000 1.101 66 R CA 1.983 57.611 56.100 -0.786 0.000 0.995 66 R CB -0.629 28.971 30.300 -1.167 0.000 0.870 66 R HN 0.513 nan 8.270 nan 0.000 0.463 67 F N 0.846 120.544 119.950 -0.421 0.000 2.727 67 F HA 0.366 4.893 4.527 0.000 0.000 0.302 67 F C 0.716 176.357 175.800 -0.265 0.000 1.097 67 F CA -0.349 57.499 58.000 -0.254 0.000 1.330 67 F CB 0.264 39.183 39.000 -0.134 0.000 1.084 67 F HN -0.123 nan 8.300 nan 0.000 0.578 68 M N -0.024 119.465 119.600 -0.185 0.000 2.363 68 M HA 0.355 4.835 4.480 -0.000 0.000 0.343 68 M C 0.374 176.472 176.300 -0.336 0.000 1.165 68 M CA -0.672 54.499 55.300 -0.214 0.000 1.046 68 M CB 1.674 34.157 32.600 -0.194 0.000 1.648 68 M HN -0.015 nan 8.290 nan 0.000 0.452 69 S N -0.191 115.361 115.700 -0.247 0.000 2.730 69 S HA 0.332 4.802 4.470 -0.000 0.000 0.284 69 S C 0.327 174.857 174.600 -0.117 0.000 1.153 69 S CA -0.777 57.338 58.200 -0.141 0.000 0.995 69 S CB 1.030 64.241 63.200 0.019 0.000 1.058 69 S HN 0.675 nan 8.310 nan 0.000 0.552 70 D N 1.004 121.345 120.400 -0.099 0.000 2.149 70 D HA -0.040 4.600 4.640 -0.000 0.000 0.198 70 D C 2.178 178.159 176.300 -0.532 0.000 0.990 70 D CA 1.716 55.456 54.000 -0.433 0.000 0.839 70 D CB -0.873 39.665 40.800 -0.437 0.000 0.948 70 D HN 0.670 nan 8.370 nan 0.000 0.460 71 A N 0.549 123.267 122.820 -0.170 0.000 1.883 71 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 71 A C 2.473 180.056 177.584 -0.001 0.000 1.186 71 A CA 2.008 54.040 52.037 -0.009 0.000 0.624 71 A CB -0.623 18.406 19.000 0.048 0.000 0.822 71 A HN 0.177 nan 8.150 nan 0.000 0.444 72 S N -0.347 115.335 115.700 -0.031 0.000 2.368 72 S HA -0.077 4.393 4.470 -0.000 0.000 0.224 72 S C 1.817 176.440 174.600 0.038 0.000 1.029 72 S CA 1.329 59.540 58.200 0.019 0.000 0.988 72 S CB -0.472 62.723 63.200 -0.008 0.000 0.838 72 S HN 0.528 nan 8.310 nan 0.000 0.462 73 I N 0.434 120.946 120.570 -0.097 0.000 2.163 73 I HA -0.231 3.939 4.170 -0.000 0.000 0.243 73 I C 2.079 178.252 176.117 0.093 0.000 1.085 73 I CA 1.393 62.645 61.300 -0.080 0.000 1.347 73 I CB -0.442 37.412 38.000 -0.242 0.000 1.044 73 I HN 0.269 nan 8.210 nan 0.000 0.408 74 Y N 0.784 121.121 120.300 0.062 0.000 2.181 74 Y HA -0.205 4.345 4.550 -0.000 0.000 0.288 74 Y C 2.658 178.594 175.900 0.060 0.000 1.146 74 Y CA 0.842 58.969 58.100 0.045 0.000 1.164 74 Y CB -1.353 37.109 38.460 0.004 0.000 0.982 74 Y HN 0.134 nan 8.280 nan 0.000 0.515 75 A N -0.573 122.382 122.820 0.225 0.000 1.930 75 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 75 A C 2.200 179.873 177.584 0.147 0.000 1.175 75 A CA 1.258 53.377 52.037 0.137 0.000 0.627 75 A CB -1.326 17.738 19.000 0.105 0.000 0.815 75 A HN 0.440 nan 8.150 nan 0.000 0.443 76 F N 0.636 120.636 119.950 0.083 0.000 2.102 76 F HA -0.151 4.376 4.527 0.000 0.000 0.298 76 F C 1.926 177.810 175.800 0.139 0.000 1.105 76 F CA 1.810 59.899 58.000 0.149 0.000 1.239 76 F CB -0.172 38.888 39.000 0.100 0.000 0.991 76 F HN 0.140 nan 8.300 nan 0.000 0.474 77 L N -0.760 120.660 121.223 0.328 0.000 2.083 77 L HA -0.223 4.117 4.340 -0.000 0.000 0.209 77 L C 2.503 179.402 176.870 0.048 0.000 1.083 77 L CA 1.374 56.335 54.840 0.201 0.000 0.752 77 L CB -0.937 41.249 42.059 0.212 0.000 0.899 77 L HN 0.077 nan 8.230 nan 0.000 0.433 78 S N -0.340 115.380 115.700 0.035 0.000 2.382 78 S HA -0.219 4.250 4.470 -0.000 0.000 0.228 78 S C 1.928 176.453 174.600 -0.125 0.000 1.027 78 S CA 1.562 59.741 58.200 -0.034 0.000 0.991 78 S CB -0.224 62.959 63.200 -0.028 0.000 0.823 78 S HN 0.356 nan 8.310 nan 0.000 0.469 79 M N 1.393 120.864 119.600 -0.216 0.000 2.175 79 M HA -0.095 4.385 4.480 -0.000 0.000 0.264 79 M C 1.939 177.933 176.300 -0.511 0.000 1.063 79 M CA 1.395 56.415 55.300 -0.467 0.000 1.119 79 M CB -0.140 31.992 32.600 -0.779 0.000 1.377 79 M HN 0.238 nan 8.290 nan 0.000 0.415 80 E N -0.162 119.838 120.200 -0.334 0.000 2.085 80 E HA -0.262 4.088 4.350 -0.000 0.000 0.194 80 E C 2.040 178.564 176.600 -0.127 0.000 0.994 80 E CA 1.620 57.910 56.400 -0.182 0.000 0.801 80 E CB -0.175 29.493 29.700 -0.053 0.000 0.743 80 E HN 0.680 nan 8.360 nan 0.000 0.453 81 Q N 0.143 119.888 119.800 -0.091 0.000 2.050 81 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 81 Q C 2.242 178.211 176.000 -0.051 0.000 0.980 81 Q CA 1.380 57.156 55.803 -0.045 0.000 0.840 81 Q CB -0.173 28.550 28.738 -0.024 0.000 0.898 81 Q HN 0.229 nan 8.270 nan 0.000 0.424 82 A N 0.757 123.522 122.820 -0.092 0.000 1.933 82 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 82 A C 2.024 179.585 177.584 -0.038 0.000 1.175 82 A CA 1.060 53.066 52.037 -0.052 0.000 0.628 82 A CB -0.594 18.371 19.000 -0.057 0.000 0.814 82 A HN 0.304 nan 8.150 nan 0.000 0.444 83 I N -0.363 120.115 120.570 -0.154 0.000 2.179 83 I HA -0.291 3.879 4.170 -0.000 0.000 0.242 83 I C 2.992 179.083 176.117 -0.044 0.000 1.088 83 I CA 1.139 62.338 61.300 -0.168 0.000 1.357 83 I CB -0.318 37.427 38.000 -0.425 0.000 1.051 83 I HN 0.367 nan 8.210 nan 0.000 0.409 84 A N 0.173 122.976 122.820 -0.028 0.000 1.898 84 A HA -0.292 4.028 4.320 -0.000 0.000 0.216 84 A C 1.990 179.598 177.584 0.039 0.000 1.181 84 A CA 2.251 54.299 52.037 0.019 0.000 0.620 84 A CB -0.740 18.272 19.000 0.019 0.000 0.819 84 A HN 0.441 nan 8.150 nan 0.000 0.442 85 D N -0.364 120.065 120.400 0.049 0.000 2.218 85 D HA 0.022 4.662 4.640 -0.000 0.000 0.204 85 D C 1.744 178.116 176.300 0.121 0.000 0.976 85 D CA 1.262 55.320 54.000 0.097 0.000 0.853 85 D CB -0.105 40.776 40.800 0.135 0.000 0.939 85 D HN 0.350 nan 8.370 nan 0.000 0.481 86 A N -0.842 122.033 122.820 0.092 0.000 2.178 86 A HA 0.427 4.747 4.320 -0.000 0.000 0.211 86 A C 1.856 179.483 177.584 0.071 0.000 1.157 86 A CA 0.922 53.012 52.037 0.088 0.000 0.780 86 A CB -0.384 18.652 19.000 0.060 0.000 0.828 86 A HN 0.411 nan 8.150 nan 0.000 0.476 87 G N -1.042 107.796 108.800 0.064 0.000 2.147 87 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.244 87 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.244 87 G C -0.029 174.920 174.900 0.081 0.000 1.005 87 G CA 0.355 45.492 45.100 0.061 0.000 0.713 87 G HN 0.440 nan 8.290 nan 0.000 0.515 88 L N 0.802 122.086 121.223 0.103 0.000 2.334 88 L HA 0.666 5.006 4.340 -0.000 0.000 0.277 88 L C 0.555 177.574 176.870 0.249 0.000 1.075 88 L CA -0.558 54.390 54.840 0.179 0.000 0.804 88 L CB 1.779 43.958 42.059 0.200 0.000 1.174 88 L HN 0.147 nan 8.230 nan 0.000 0.438 89 S N 2.130 117.993 115.700 0.271 0.000 2.607 89 S HA 0.396 4.866 4.470 -0.000 0.000 0.303 89 S C -1.869 172.824 174.600 0.157 0.000 1.086 89 S CA -1.103 57.233 58.200 0.226 0.000 0.995 89 S CB 2.138 65.401 63.200 0.106 0.000 1.084 89 S HN 0.375 nan 8.310 nan 0.000 0.507 90 P HA -0.185 nan 4.420 nan 0.000 0.218 90 P C 0.715 177.806 177.300 -0.348 0.000 1.154 90 P CA 1.384 64.219 63.100 -0.441 0.000 0.872 90 P CB 0.078 31.650 31.700 -0.213 0.000 0.790 91 E N -0.959 119.156 120.200 -0.141 0.000 2.267 91 E HA -0.138 4.212 4.350 -0.000 0.000 0.197 91 E C 1.951 178.513 176.600 -0.063 0.000 0.998 91 E CA 1.446 57.791 56.400 -0.092 0.000 0.830 91 E CB -0.675 29.002 29.700 -0.039 0.000 0.751 91 E HN 0.272 nan 8.360 nan 0.000 0.491 92 A N -0.014 122.793 122.820 -0.022 0.000 1.956 92 A HA -0.008 4.312 4.320 -0.000 0.000 0.212 92 A C 1.797 179.452 177.584 0.118 0.000 1.188 92 A CA 0.823 52.904 52.037 0.073 0.000 0.675 92 A CB -0.286 18.803 19.000 0.149 0.000 0.845 92 A HN 0.471 nan 8.150 nan 0.000 0.455 93 Y N -1.227 119.119 120.300 0.077 0.000 2.462 93 Y HA 0.454 5.004 4.550 -0.000 0.000 0.253 93 Y C 0.746 176.685 175.900 0.065 0.000 1.095 93 Y CA -0.574 57.590 58.100 0.106 0.000 1.283 93 Y CB -0.195 38.407 38.460 0.236 0.000 1.138 93 Y HN 0.168 nan 8.280 nan 0.000 0.522 94 Q N 1.941 121.414 119.800 -0.544 0.000 2.299 94 Q HA 0.176 4.516 4.340 -0.000 0.000 0.246 94 Q C -0.195 175.616 176.000 -0.315 0.000 0.935 94 Q CA -0.426 55.134 55.803 -0.404 0.000 0.887 94 Q CB 0.482 28.923 28.738 -0.494 0.000 1.223 94 Q HN 0.369 nan 8.270 nan 0.000 0.439 95 N N 1.894 120.299 118.700 -0.491 0.000 2.716 95 N HA -0.211 4.529 4.740 -0.000 0.000 0.250 95 N C -1.140 174.140 175.510 -0.384 0.000 1.033 95 N CA 0.773 53.300 53.050 -0.872 0.000 0.727 95 N CB -1.068 37.139 38.487 -0.467 0.000 0.950 95 N HN 0.549 nan 8.380 nan 0.000 0.541 96 N N 0.072 118.657 118.700 -0.190 0.000 2.524 96 N HA 0.313 5.053 4.740 -0.000 0.000 0.261 96 N C -1.994 173.568 175.510 0.088 0.000 0.998 96 N CA -1.863 51.185 53.050 -0.004 0.000 0.915 96 N CB 1.569 40.063 38.487 0.012 0.000 1.187 96 N HN -0.179 nan 8.380 nan 0.000 0.507 97 P HA -0.034 nan 4.420 nan 0.000 0.223 97 P C 0.720 178.056 177.300 0.060 0.000 1.144 97 P CA 0.924 64.094 63.100 0.115 0.000 0.783 97 P CB 0.385 32.139 31.700 0.090 0.000 0.771 98 R N -1.173 119.347 120.500 0.034 0.000 2.317 98 R HA 0.183 4.523 4.340 -0.000 0.000 0.208 98 R C -0.020 176.253 176.300 -0.045 0.000 0.914 98 R CA 0.131 56.224 56.100 -0.012 0.000 1.060 98 R CB -0.056 30.228 30.300 -0.027 0.000 1.015 98 R HN 0.144 nan 8.270 nan 0.000 0.498 99 V N 0.321 120.237 119.914 0.004 0.000 2.444 99 V HA 0.620 4.740 4.120 -0.000 0.000 0.294 99 V C 0.479 176.604 176.094 0.053 0.000 1.022 99 V CA -0.774 61.528 62.300 0.003 0.000 0.850 99 V CB 1.725 33.611 31.823 0.104 0.000 0.992 99 V HN 0.272 nan 8.190 nan 0.000 0.426 100 G N 3.172 111.969 108.800 -0.005 0.000 3.013 100 G HA2 0.808 4.768 3.960 -0.000 0.000 0.278 100 G HA3 0.808 4.768 3.960 -0.000 0.000 0.278 100 G C -1.779 173.151 174.900 0.050 0.000 1.353 100 G CA -0.746 44.359 45.100 0.008 0.000 1.043 100 G HN 0.661 nan 8.290 nan 0.000 0.523 101 L N -0.292 120.915 121.223 -0.025 0.000 2.505 101 L HA 0.756 5.096 4.340 -0.000 0.000 0.266 101 L C -1.797 174.978 176.870 -0.159 0.000 0.954 101 L CA -0.726 54.106 54.840 -0.013 0.000 0.852 101 L CB 2.052 44.131 42.059 0.033 0.000 1.282 101 L HN 0.480 nan 8.230 nan 0.000 0.403 102 I N 5.230 125.717 120.570 -0.139 0.000 2.476 102 I HA 0.895 5.065 4.170 -0.000 0.000 0.281 102 I C -1.190 174.895 176.117 -0.053 0.000 1.040 102 I CA -0.304 60.894 61.300 -0.170 0.000 1.094 102 I CB 1.178 39.063 38.000 -0.192 0.000 1.219 102 I HN 0.760 nan 8.210 nan 0.000 0.450 103 A N 4.425 127.238 122.820 -0.012 0.000 2.547 103 A HA 0.975 5.295 4.320 -0.000 0.000 0.297 103 A C -0.700 176.911 177.584 0.045 0.000 1.056 103 A CA 0.027 52.072 52.037 0.013 0.000 0.688 103 A CB 1.300 20.302 19.000 0.005 0.000 1.282 103 A HN 1.043 nan 8.150 nan 0.000 0.400 104 G N -0.239 108.591 108.800 0.049 0.000 2.827 104 G HA2 0.843 4.803 3.960 -0.000 0.000 0.296 104 G HA3 0.843 4.803 3.960 -0.000 0.000 0.296 104 G C -0.527 174.405 174.900 0.054 0.000 1.362 104 G CA 0.197 45.335 45.100 0.063 0.000 0.809 104 G HN 1.904 nan 8.290 nan 0.000 0.522 105 S N -2.069 113.668 115.700 0.062 0.000 2.627 105 S HA 0.668 5.138 4.470 -0.000 0.000 0.283 105 S C 0.952 175.592 174.600 0.066 0.000 1.127 105 S CA 0.240 58.474 58.200 0.057 0.000 0.863 105 S CB 1.550 64.789 63.200 0.065 0.000 1.121 105 S HN 1.495 nan 8.310 nan 0.000 0.479 106 G N -0.299 108.539 108.800 0.064 0.000 2.453 106 G HA2 0.360 4.320 3.960 -0.000 0.000 0.215 106 G HA3 0.360 4.320 3.960 -0.000 0.000 0.215 106 G C 0.799 175.768 174.900 0.114 0.000 1.147 106 G CA 0.321 45.473 45.100 0.086 0.000 0.802 106 G HN 1.282 nan 8.290 nan 0.000 0.535 107 G N -1.236 107.631 108.800 0.113 0.000 3.979 107 G HA2 0.481 4.441 3.960 -0.000 0.000 0.287 107 G HA3 0.481 4.441 3.960 -0.000 0.000 0.287 107 G C 0.993 175.949 174.900 0.094 0.000 1.011 107 G CA 0.784 45.953 45.100 0.114 0.000 0.818 107 G HN 1.030 nan 8.290 nan 0.000 0.470 108 G N 0.634 109.485 108.800 0.086 0.000 2.620 108 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.315 108 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.315 108 G C 0.491 175.445 174.900 0.089 0.000 1.179 108 G CA 0.889 46.038 45.100 0.081 0.000 0.971 108 G HN 1.559 nan 8.290 nan 0.000 0.544 109 S N 1.393 117.154 115.700 0.102 0.000 2.383 109 S HA 0.637 5.107 4.470 -0.000 0.000 0.196 109 S C -1.381 173.281 174.600 0.103 0.000 1.364 109 S CA 0.086 58.362 58.200 0.128 0.000 1.212 109 S CB 1.726 65.059 63.200 0.222 0.000 1.171 109 S HN 0.260 nan 8.310 nan 0.000 0.456 110 P HA -0.105 nan 4.420 nan 0.000 0.216 110 P C 1.529 178.785 177.300 -0.072 0.000 1.150 110 P CA 0.694 63.786 63.100 -0.013 0.000 0.837 110 P CB 0.126 31.801 31.700 -0.042 0.000 0.786 111 R N -0.818 119.613 120.500 -0.115 0.000 2.083 111 R HA -0.138 4.202 4.340 -0.000 0.000 0.237 111 R C 1.868 178.037 176.300 -0.218 0.000 1.137 111 R CA 1.760 57.711 56.100 -0.249 0.000 0.951 111 R CB -0.967 29.130 30.300 -0.338 0.000 0.851 111 R HN 0.109 nan 8.270 nan 0.000 0.434 112 F N 0.508 120.478 119.950 0.032 0.000 2.456 112 F HA 0.003 4.530 4.527 -0.000 0.000 0.298 112 F C 2.628 178.527 175.800 0.166 0.000 1.104 112 F CA 0.498 58.573 58.000 0.125 0.000 1.435 112 F CB 0.024 39.060 39.000 0.060 0.000 1.078 112 F HN 0.072 nan 8.300 nan 0.000 0.546 113 Q N 0.119 120.049 119.800 0.217 0.000 2.079 113 Q HA -0.115 4.225 4.340 -0.000 0.000 0.200 113 Q C 2.561 178.618 176.000 0.095 0.000 0.974 113 Q CA 1.280 57.168 55.803 0.141 0.000 0.840 113 Q CB -0.584 28.205 28.738 0.085 0.000 0.898 113 Q HN 0.285 nan 8.270 nan 0.000 0.430 114 V N 0.746 120.691 119.914 0.051 0.000 2.453 114 V HA -0.202 3.918 4.120 -0.000 0.000 0.247 114 V C 2.032 178.158 176.094 0.053 0.000 1.048 114 V CA 1.467 63.778 62.300 0.018 0.000 1.049 114 V CB -0.745 31.042 31.823 -0.060 0.000 0.672 114 V HN 0.247 nan 8.190 nan 0.000 0.457 115 F N 2.307 122.233 119.950 -0.040 0.000 2.126 115 F HA -0.066 4.461 4.527 -0.000 0.000 0.299 115 F C 2.155 177.984 175.800 0.048 0.000 1.096 115 F CA 1.769 59.761 58.000 -0.014 0.000 1.255 115 F CB -0.900 38.066 39.000 -0.057 0.000 0.997 115 F HN 0.129 nan 8.300 nan 0.000 0.479 116 G N -0.137 108.650 108.800 -0.022 0.000 2.421 116 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.216 116 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.216 116 G C 1.827 176.633 174.900 -0.158 0.000 1.171 116 G CA 0.976 46.007 45.100 -0.116 0.000 0.775 116 G HN 0.647 nan 8.290 nan 0.000 0.543 117 A N 0.887 123.662 122.820 -0.074 0.000 1.902 117 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 117 A C 2.112 179.644 177.584 -0.087 0.000 1.181 117 A CA 2.133 54.136 52.037 -0.057 0.000 0.623 117 A CB -0.409 18.583 19.000 -0.014 0.000 0.818 117 A HN 0.281 nan 8.150 nan 0.000 0.443 118 D N 0.095 120.428 120.400 -0.111 0.000 2.097 118 D HA -0.040 4.600 4.640 -0.000 0.000 0.195 118 D C 2.263 178.463 176.300 -0.166 0.000 0.989 118 D CA 1.627 55.566 54.000 -0.102 0.000 0.827 118 D CB -0.460 40.302 40.800 -0.064 0.000 0.966 118 D HN 0.403 nan 8.370 nan 0.000 0.456 119 A N 0.523 123.144 122.820 -0.333 0.000 1.902 119 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 119 A C 2.138 179.612 177.584 -0.182 0.000 1.181 119 A CA 1.713 53.554 52.037 -0.328 0.000 0.623 119 A CB -0.547 18.087 19.000 -0.609 0.000 0.818 119 A HN 0.168 nan 8.150 nan 0.000 0.443 120 M N -0.035 119.468 119.600 -0.162 0.000 2.159 120 M HA -0.087 4.393 4.480 -0.000 0.000 0.263 120 M C 1.831 178.093 176.300 -0.063 0.000 1.063 120 M CA 1.541 56.786 55.300 -0.091 0.000 1.110 120 M CB -0.426 32.133 32.600 -0.070 0.000 1.374 120 M HN 0.357 nan 8.290 nan 0.000 0.411 121 R N -0.012 120.451 120.500 -0.062 0.000 2.323 121 R HA 0.175 4.515 4.340 -0.000 0.000 0.198 121 R C 1.011 177.291 176.300 -0.034 0.000 0.988 121 R CA 0.311 56.388 56.100 -0.038 0.000 1.041 121 R CB -0.457 29.826 30.300 -0.028 0.000 0.926 121 R HN 0.474 nan 8.270 nan 0.000 0.476 122 G N 1.054 109.826 108.800 -0.046 0.000 2.557 122 G HA2 0.128 4.088 3.960 -0.000 0.000 0.292 122 G HA3 0.128 4.088 3.960 -0.000 0.000 0.292 122 G C -1.495 173.389 174.900 -0.026 0.000 1.237 122 G CA -1.039 44.040 45.100 -0.034 0.000 0.978 122 G HN -0.073 nan 8.290 nan 0.000 0.498 123 P HA -0.061 nan 4.420 nan 0.000 0.225 123 P C 1.150 178.442 177.300 -0.013 0.000 1.148 123 P CA 0.790 63.883 63.100 -0.012 0.000 0.779 123 P CB 0.330 32.026 31.700 -0.006 0.000 0.780 124 R N -0.810 119.680 120.500 -0.016 0.000 2.280 124 R HA 0.200 4.540 4.340 -0.000 0.000 0.195 124 R C 1.718 178.005 176.300 -0.022 0.000 0.935 124 R CA 0.507 56.599 56.100 -0.014 0.000 1.033 124 R CB -0.428 29.867 30.300 -0.008 0.000 0.964 124 R HN 0.165 nan 8.270 nan 0.000 0.489 125 G N 2.100 110.880 108.800 -0.032 0.000 2.652 125 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.318 125 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.318 125 G C 0.853 175.728 174.900 -0.040 0.000 1.295 125 G CA 0.544 45.621 45.100 -0.037 0.000 0.999 125 G HN 0.221 nan 8.290 nan 0.000 0.548 126 L N 0.433 121.638 121.223 -0.030 0.000 2.129 126 L HA -0.141 4.199 4.340 -0.000 0.000 0.212 126 L C 2.997 179.853 176.870 -0.024 0.000 1.087 126 L CA 2.291 57.114 54.840 -0.028 0.000 0.757 126 L CB -0.500 41.545 42.059 -0.022 0.000 0.896 126 L HN 0.540 nan 8.230 nan 0.000 0.434 127 K N -0.125 120.264 120.400 -0.018 0.000 2.148 127 K HA -0.098 4.222 4.320 -0.000 0.000 0.204 127 K C 2.182 178.785 176.600 0.006 0.000 1.050 127 K CA 1.228 57.510 56.287 -0.008 0.000 0.942 127 K CB -0.167 32.330 32.500 -0.005 0.000 0.724 127 K HN 0.313 nan 8.250 nan 0.000 0.446 128 A N 0.817 123.632 122.820 -0.008 0.000 1.975 128 A HA -0.028 4.292 4.320 -0.000 0.000 0.215 128 A C 2.283 179.864 177.584 -0.004 0.000 1.170 128 A CA 0.670 52.705 52.037 -0.002 0.000 0.656 128 A CB -0.256 18.715 19.000 -0.049 0.000 0.821 128 A HN 0.028 nan 8.150 nan 0.000 0.449 129 V N -0.375 119.512 119.914 -0.044 0.000 2.295 129 V HA 0.177 4.297 4.120 -0.000 0.000 0.246 129 V C 1.603 177.779 176.094 0.137 0.000 1.049 129 V CA 1.282 63.569 62.300 -0.021 0.000 1.024 129 V CB -1.817 29.987 31.823 -0.031 0.000 0.648 129 V HN 1.228 nan 8.190 nan 0.000 0.447 130 G N 0.371 109.205 108.800 0.055 0.000 2.746 130 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.685 130 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.685 130 G C -1.785 173.055 174.900 -0.101 0.000 1.350 130 G CA -0.097 45.007 45.100 0.006 0.000 0.837 130 G HN 0.305 nan 8.290 nan 0.000 0.564 131 P HA 0.226 nan 4.420 nan 0.000 0.261 131 P C 0.095 177.119 177.300 -0.460 0.000 1.352 131 P CA 0.600 63.453 63.100 -0.412 0.000 0.891 131 P CB -0.004 31.391 31.700 -0.510 0.000 1.383 132 Y N -1.607 118.669 120.300 -0.041 0.000 2.481 132 Y HA 0.124 4.674 4.550 -0.000 0.000 0.247 132 Y C 2.192 178.059 175.900 -0.055 0.000 1.151 132 Y CA -0.225 57.814 58.100 -0.101 0.000 1.238 132 Y CB -0.347 37.929 38.460 -0.308 0.000 1.179 132 Y HN -0.274 nan 8.280 nan 0.000 0.524 133 V N -1.187 118.805 119.914 0.131 0.000 2.427 133 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 133 V C 2.124 178.283 176.094 0.108 0.000 1.051 133 V CA 1.549 63.936 62.300 0.146 0.000 1.048 133 V CB -0.697 31.262 31.823 0.227 0.000 0.666 133 V HN 0.225 nan 8.190 nan 0.000 0.456 134 V N 1.287 121.261 119.914 0.100 0.000 2.252 134 V HA -0.308 3.812 4.120 -0.000 0.000 0.249 134 V C 2.830 178.975 176.094 0.085 0.000 1.056 134 V CA 2.767 65.120 62.300 0.087 0.000 1.022 134 V CB -1.408 30.461 31.823 0.076 0.000 0.641 134 V HN 0.820 nan 8.190 nan 0.000 0.445 135 T N -1.996 112.626 114.554 0.114 0.000 2.962 135 T HA -0.172 4.178 4.350 -0.000 0.000 0.270 135 T C 1.715 176.437 174.700 0.037 0.000 1.088 135 T CA 1.332 63.492 62.100 0.100 0.000 1.127 135 T CB -0.247 68.740 68.868 0.198 0.000 0.883 135 T HN 0.498 nan 8.240 nan 0.000 0.493 136 K N 1.123 121.510 120.400 -0.022 0.000 2.098 136 K HA 0.346 4.666 4.320 -0.000 0.000 0.203 136 K C 2.639 179.245 176.600 0.009 0.000 1.051 136 K CA 0.939 57.142 56.287 -0.139 0.000 0.957 136 K CB -0.154 32.035 32.500 -0.519 0.000 0.738 136 K HN 0.401 nan 8.250 nan 0.000 0.447 137 A N 1.054 123.921 122.820 0.078 0.000 2.132 137 A HA 0.084 4.404 4.320 -0.000 0.000 0.213 137 A C 1.080 178.716 177.584 0.087 0.000 1.154 137 A CA -0.153 51.957 52.037 0.121 0.000 0.753 137 A CB -0.235 18.855 19.000 0.149 0.000 0.826 137 A HN 0.246 nan 8.150 nan 0.000 0.469 138 M N 0.272 119.914 119.600 0.070 0.000 2.248 138 M HA 0.150 4.630 4.480 -0.000 0.000 0.343 138 M C 1.283 177.621 176.300 0.062 0.000 1.243 138 M CA 0.331 55.668 55.300 0.062 0.000 1.025 138 M CB 0.761 33.394 32.600 0.055 0.000 1.759 138 M HN 0.325 nan 8.290 nan 0.000 0.452 139 A N 2.530 125.387 122.820 0.061 0.000 2.019 139 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 139 A C 1.715 179.339 177.584 0.067 0.000 1.164 139 A CA 1.922 53.997 52.037 0.064 0.000 0.644 139 A CB -0.722 18.314 19.000 0.060 0.000 0.805 139 A HN 0.944 nan 8.150 nan 0.000 0.449 140 S N -1.124 114.615 115.700 0.065 0.000 2.614 140 S HA 0.322 4.792 4.470 -0.000 0.000 0.230 140 S C 1.627 176.264 174.600 0.062 0.000 0.952 140 S CA 0.542 58.785 58.200 0.071 0.000 0.949 140 S CB -0.218 63.028 63.200 0.077 0.000 0.786 140 S HN 0.566 nan 8.310 nan 0.000 0.478 141 G N 2.379 111.212 108.800 0.055 0.000 2.513 141 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.219 141 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.219 141 G C 1.306 176.234 174.900 0.048 0.000 1.160 141 G CA 1.348 46.474 45.100 0.044 0.000 0.767 141 G HN 0.473 nan 8.290 nan 0.000 0.571 142 V N 1.780 121.727 119.914 0.056 0.000 2.287 142 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 142 V C 3.293 179.430 176.094 0.071 0.000 1.053 142 V CA 2.627 64.965 62.300 0.065 0.000 1.027 142 V CB -0.695 31.166 31.823 0.062 0.000 0.646 142 V HN 0.653 nan 8.190 nan 0.000 0.447 143 S N 0.804 116.543 115.700 0.064 0.000 2.371 143 S HA -0.072 4.398 4.470 -0.000 0.000 0.224 143 S C 2.143 176.780 174.600 0.062 0.000 1.029 143 S CA 1.144 59.378 58.200 0.057 0.000 0.978 143 S CB -0.576 62.655 63.200 0.053 0.000 0.833 143 S HN 0.564 nan 8.310 nan 0.000 0.466 144 A N 1.000 123.853 122.820 0.054 0.000 1.883 144 A HA -0.090 4.229 4.320 -0.000 0.000 0.217 144 A C 2.413 180.012 177.584 0.025 0.000 1.186 144 A CA 1.623 53.679 52.037 0.032 0.000 0.624 144 A CB -1.537 17.473 19.000 0.018 0.000 0.822 144 A HN 0.700 nan 8.150 nan 0.000 0.444 145 C N -1.265 118.059 119.300 0.040 0.000 2.472 145 C HA 0.130 4.590 4.460 -0.000 0.000 0.278 145 C C 2.321 177.398 174.990 0.146 0.000 1.447 145 C CA 0.724 59.769 59.018 0.046 0.000 1.773 145 C CB -1.300 26.462 27.740 0.036 0.000 1.793 145 C HN 0.533 nan 8.230 nan 0.000 0.544 146 L N 0.448 121.788 121.223 0.196 0.000 2.349 146 L HA 0.258 4.598 4.340 -0.000 0.000 0.200 146 L C 2.661 179.723 176.870 0.319 0.000 1.064 146 L CA 1.654 56.705 54.840 0.353 0.000 0.821 146 L CB -1.287 40.926 42.059 0.256 0.000 1.027 146 L HN 0.143 nan 8.230 nan 0.000 0.476 147 A N -0.844 122.080 122.820 0.173 0.000 1.940 147 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 147 A C 2.300 179.969 177.584 0.142 0.000 1.176 147 A CA 2.490 54.617 52.037 0.149 0.000 0.631 147 A CB -1.015 18.039 19.000 0.090 0.000 0.814 147 A HN 0.431 nan 8.150 nan 0.000 0.446 148 T N 0.358 114.963 114.554 0.085 0.000 2.668 148 T HA -0.066 4.284 4.350 -0.000 0.000 0.262 148 T C -0.029 174.685 174.700 0.023 0.000 1.045 148 T CA 1.626 63.744 62.100 0.029 0.000 1.152 148 T CB -1.081 67.751 68.868 -0.058 0.000 0.864 148 T HN 0.520 nan 8.240 nan 0.000 0.419 149 P HA -0.012 nan 4.420 nan 0.000 0.220 149 P C 0.834 178.049 177.300 -0.142 0.000 1.148 149 P CA 1.089 64.138 63.100 -0.085 0.000 0.803 149 P CB -0.271 31.375 31.700 -0.091 0.000 0.782 150 F N 0.460 120.454 119.950 0.074 0.000 2.773 150 F HA 0.189 4.716 4.527 0.000 0.000 0.304 150 F C 0.979 176.816 175.800 0.063 0.000 1.129 150 F CA -0.032 58.007 58.000 0.066 0.000 1.378 150 F CB -0.423 38.555 39.000 -0.037 0.000 1.095 150 F HN -0.208 nan 8.300 nan 0.000 0.565 151 K N 0.830 121.320 120.400 0.150 0.000 3.077 151 K HA -0.200 4.120 4.320 -0.000 0.000 0.264 151 K C -0.443 176.205 176.600 0.081 0.000 1.008 151 K CA 0.018 56.348 56.287 0.072 0.000 0.740 151 K CB -1.742 30.729 32.500 -0.048 0.000 1.273 151 K HN 0.153 nan 8.250 nan 0.000 0.477 152 I N 1.012 121.694 120.570 0.187 0.000 2.496 152 I HA 0.002 4.172 4.170 -0.000 0.000 0.285 152 I C 1.783 178.075 176.117 0.291 0.000 1.080 152 I CA 0.514 61.936 61.300 0.204 0.000 1.404 152 I CB 0.590 38.703 38.000 0.188 0.000 1.403 152 I HN 0.274 nan 8.210 nan 0.000 0.539 153 H N 3.189 122.301 119.070 0.069 0.000 2.874 153 H HA 0.169 4.725 4.556 -0.000 0.000 0.264 153 H C 1.362 176.708 175.328 0.031 0.000 1.007 153 H CA 0.038 56.110 56.048 0.041 0.000 1.207 153 H CB 1.372 31.154 29.762 0.032 0.000 1.487 153 H HN 0.770 nan 8.280 nan 0.000 0.505 154 G N 1.112 110.000 108.800 0.148 0.000 2.735 154 G HA2 0.194 4.154 3.960 -0.000 0.000 0.192 154 G HA3 0.194 4.154 3.960 -0.000 0.000 0.192 154 G C 0.173 175.091 174.900 0.030 0.000 1.547 154 G CA 0.102 45.244 45.100 0.069 0.000 1.080 154 G HN 0.131 nan 8.290 nan 0.000 0.569 155 V N -0.689 119.214 119.914 -0.019 0.000 2.901 155 V HA 0.416 4.536 4.120 -0.000 0.000 0.307 155 V C -0.229 175.766 176.094 -0.165 0.000 1.084 155 V CA -0.089 62.159 62.300 -0.087 0.000 1.184 155 V CB 1.063 32.778 31.823 -0.179 0.000 0.941 155 V HN 0.779 nan 8.190 nan 0.000 0.493 156 N N 3.645 122.232 118.700 -0.188 0.000 2.699 156 N HA 0.496 5.236 4.740 -0.000 0.000 0.271 156 N C -1.171 174.319 175.510 -0.033 0.000 1.216 156 N CA -0.537 52.432 53.050 -0.136 0.000 0.844 156 N CB 1.042 39.532 38.487 0.005 0.000 1.462 156 N HN 1.017 nan 8.380 nan 0.000 0.555 157 Y N -1.185 119.135 120.300 0.034 0.000 2.779 157 Y HA 0.679 5.229 4.550 -0.000 0.000 0.340 157 Y C -1.164 174.754 175.900 0.030 0.000 1.252 157 Y CA -1.194 56.923 58.100 0.029 0.000 1.072 157 Y CB 0.388 38.862 38.460 0.022 0.000 1.343 157 Y HN 0.099 nan 8.280 nan 0.000 0.450 158 S N 0.984 116.876 115.700 0.321 0.000 2.578 158 S HA 0.743 5.213 4.470 -0.000 0.000 0.301 158 S C -0.974 173.764 174.600 0.231 0.000 1.091 158 S CA -0.748 57.578 58.200 0.209 0.000 1.032 158 S CB 1.330 64.607 63.200 0.129 0.000 1.064 158 S HN 0.509 nan 8.310 nan 0.000 0.508 159 I N 1.823 122.500 120.570 0.178 0.000 2.433 159 I HA 0.390 4.560 4.170 -0.000 0.000 0.292 159 I C -0.436 175.750 176.117 0.114 0.000 1.001 159 I CA -0.255 61.130 61.300 0.142 0.000 1.119 159 I CB 2.022 40.119 38.000 0.163 0.000 1.289 159 I HN 0.447 nan 8.210 nan 0.000 0.438 160 S N 3.155 118.909 115.700 0.091 0.000 2.519 160 S HA 0.523 4.993 4.470 -0.000 0.000 0.309 160 S C -0.146 174.516 174.600 0.102 0.000 1.100 160 S CA -0.614 57.643 58.200 0.094 0.000 1.059 160 S CB 1.528 64.775 63.200 0.079 0.000 1.008 160 S HN 0.720 nan 8.310 nan 0.000 0.478 161 S N 0.811 116.594 115.700 0.138 0.000 2.665 161 S HA 0.629 5.099 4.470 -0.000 0.000 0.226 161 S C 0.433 175.128 174.600 0.159 0.000 0.773 161 S CA -0.127 58.175 58.200 0.171 0.000 1.041 161 S CB -0.369 63.013 63.200 0.303 0.000 1.570 161 S HN 1.565 nan 8.310 nan 0.000 0.470 162 A N 0.765 123.661 122.820 0.126 0.000 5.483 162 A HA -0.332 3.988 4.320 -0.000 0.000 0.309 162 A C 1.667 179.276 177.584 0.042 0.000 1.898 162 A CA 1.132 53.225 52.037 0.093 0.000 0.716 162 A CB -2.230 16.829 19.000 0.098 0.000 1.309 162 A HN 1.482 nan 8.150 nan 0.000 0.380 163 C N 0.234 119.539 119.300 0.010 0.000 2.430 163 C HA 0.306 4.766 4.460 -0.000 0.000 0.288 163 C C 2.692 177.698 174.990 0.027 0.000 1.448 163 C CA 1.303 60.347 59.018 0.044 0.000 1.784 163 C CB -1.943 25.934 27.740 0.228 0.000 1.776 163 C HN 1.456 nan 8.230 nan 0.000 0.547 164 A N -0.108 122.727 122.820 0.024 0.000 2.348 164 A HA 0.143 4.463 4.320 -0.000 0.000 0.224 164 A C 1.882 179.473 177.584 0.011 0.000 1.227 164 A CA 0.766 52.776 52.037 -0.045 0.000 0.885 164 A CB -0.574 18.389 19.000 -0.062 0.000 0.933 164 A HN 0.440 nan 8.150 nan 0.000 0.506 165 T N 1.500 116.102 114.554 0.080 0.000 2.531 165 T HA -0.262 4.088 4.350 -0.000 0.000 0.261 165 T C 2.268 177.009 174.700 0.069 0.000 1.141 165 T CA 2.695 64.859 62.100 0.107 0.000 1.176 165 T CB -0.497 68.411 68.868 0.066 0.000 0.863 165 T HN 0.801 nan 8.240 nan 0.000 0.424 166 S N 1.489 117.189 115.700 -0.001 0.000 2.474 166 S HA 0.181 4.651 4.470 -0.000 0.000 0.235 166 S C 2.265 176.830 174.600 -0.058 0.000 0.997 166 S CA 0.761 58.944 58.200 -0.029 0.000 0.949 166 S CB -0.416 62.746 63.200 -0.062 0.000 0.766 166 S HN 0.559 nan 8.310 nan 0.000 0.517 167 A N 1.824 124.593 122.820 -0.085 0.000 1.897 167 A HA 0.015 4.335 4.320 -0.000 0.000 0.215 167 A C 1.922 179.449 177.584 -0.095 0.000 1.181 167 A CA 1.288 53.248 52.037 -0.128 0.000 0.620 167 A CB -1.011 17.873 19.000 -0.193 0.000 0.821 167 A HN 0.665 nan 8.150 nan 0.000 0.443 168 H N -1.629 117.470 119.070 0.049 0.000 2.423 168 H HA -0.116 4.440 4.556 -0.000 0.000 0.297 168 H C 2.168 177.485 175.328 -0.019 0.000 1.075 168 H CA 1.236 57.338 56.048 0.089 0.000 1.342 168 H CB -0.149 29.692 29.762 0.132 0.000 1.395 168 H HN 0.534 nan 8.280 nan 0.000 0.530 169 C N 0.223 119.576 119.300 0.088 0.000 2.429 169 C HA -0.132 4.328 4.460 -0.000 0.000 0.277 169 C C 2.676 177.619 174.990 -0.079 0.000 1.262 169 C CA 0.789 59.822 59.018 0.024 0.000 1.733 169 C CB -0.791 26.956 27.740 0.012 0.000 2.010 169 C HN 0.528 nan 8.230 nan 0.000 0.483 170 I N 1.058 121.549 120.570 -0.131 0.000 2.179 170 I HA -0.112 4.058 4.170 -0.000 0.000 0.242 170 I C 2.747 178.658 176.117 -0.344 0.000 1.088 170 I CA 1.835 63.016 61.300 -0.198 0.000 1.357 170 I CB -0.996 36.895 38.000 -0.181 0.000 1.051 170 I HN 0.442 nan 8.210 nan 0.000 0.409 171 G N 0.702 109.139 108.800 -0.605 0.000 2.440 171 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.218 171 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.218 171 G C 1.476 175.934 174.900 -0.737 0.000 1.154 171 G CA 0.692 44.925 45.100 -1.446 0.000 0.767 171 G HN 0.338 nan 8.290 nan 0.000 0.552 172 N N 0.920 119.443 118.700 -0.295 0.000 2.244 172 N HA -0.059 4.681 4.740 -0.000 0.000 0.183 172 N C 2.572 178.046 175.510 -0.060 0.000 1.016 172 N CA 0.992 54.016 53.050 -0.043 0.000 0.866 172 N CB -0.114 38.432 38.487 0.098 0.000 0.980 172 N HN 0.321 nan 8.380 nan 0.000 0.430 173 A N 0.895 123.642 122.820 -0.121 0.000 1.898 173 A HA -0.064 4.256 4.320 -0.000 0.000 0.216 173 A C 2.498 180.010 177.584 -0.121 0.000 1.181 173 A CA 1.010 52.973 52.037 -0.123 0.000 0.620 173 A CB -0.701 18.210 19.000 -0.149 0.000 0.819 173 A HN 0.080 nan 8.150 nan 0.000 0.442 174 V N 0.255 120.076 119.914 -0.154 0.000 2.332 174 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 174 V C 2.410 178.472 176.094 -0.054 0.000 1.055 174 V CA 2.392 64.623 62.300 -0.115 0.000 1.038 174 V CB -0.888 30.851 31.823 -0.141 0.000 0.651 174 V HN 0.648 nan 8.190 nan 0.000 0.450 175 E N -0.581 119.600 120.200 -0.032 0.000 2.110 175 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 175 E C 2.395 179.003 176.600 0.013 0.000 0.988 175 E CA 1.092 57.509 56.400 0.027 0.000 0.804 175 E CB -0.162 29.585 29.700 0.078 0.000 0.745 175 E HN 0.551 nan 8.360 nan 0.000 0.458 176 Q N 0.253 120.051 119.800 -0.002 0.000 2.124 176 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 176 Q C 2.248 178.233 176.000 -0.025 0.000 0.977 176 Q CA 1.108 56.908 55.803 -0.005 0.000 0.850 176 Q CB -0.131 28.593 28.738 -0.024 0.000 0.901 176 Q HN 0.436 nan 8.270 nan 0.000 0.429 177 I N 0.423 120.966 120.570 -0.046 0.000 2.286 177 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 177 I C 2.308 178.409 176.117 -0.027 0.000 1.104 177 I CA 0.839 62.108 61.300 -0.053 0.000 1.397 177 I CB -0.255 37.700 38.000 -0.076 0.000 1.072 177 I HN 0.199 nan 8.210 nan 0.000 0.417 178 Q N 0.665 120.457 119.800 -0.013 0.000 2.170 178 Q HA -0.135 4.205 4.340 -0.000 0.000 0.203 178 Q C 2.139 178.142 176.000 0.005 0.000 0.976 178 Q CA 1.220 57.024 55.803 0.002 0.000 0.858 178 Q CB -0.076 28.672 28.738 0.017 0.000 0.907 178 Q HN 0.532 nan 8.270 nan 0.000 0.433 179 L N -0.580 120.647 121.223 0.007 0.000 2.610 179 L HA 0.064 4.404 4.340 -0.000 0.000 0.232 179 L C 1.190 178.062 176.870 0.004 0.000 1.149 179 L CA 0.407 55.253 54.840 0.010 0.000 0.872 179 L CB -0.240 41.830 42.059 0.017 0.000 0.992 179 L HN 0.420 nan 8.230 nan 0.000 0.447 180 G N 0.180 108.977 108.800 -0.004 0.000 2.155 180 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.257 180 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.257 180 G C 1.034 175.929 174.900 -0.008 0.000 0.983 180 G CA 0.668 45.764 45.100 -0.006 0.000 0.676 180 G HN 0.410 nan 8.290 nan 0.000 0.528 181 K N -0.870 119.525 120.400 -0.008 0.000 2.243 181 K HA 0.094 4.414 4.320 -0.000 0.000 0.201 181 K C 0.963 177.551 176.600 -0.021 0.000 1.051 181 K CA 0.817 57.101 56.287 -0.005 0.000 0.970 181 K CB 0.070 32.575 32.500 0.008 0.000 0.755 181 K HN 0.440 nan 8.250 nan 0.000 0.465 182 Q N -0.288 119.485 119.800 -0.045 0.000 2.421 182 Q HA 0.143 4.483 4.340 -0.000 0.000 0.280 182 Q C -0.529 175.397 176.000 -0.124 0.000 1.085 182 Q CA -0.361 55.395 55.803 -0.079 0.000 0.807 182 Q CB 2.022 30.705 28.738 -0.091 0.000 1.405 182 Q HN -0.047 nan 8.270 nan 0.000 0.419 183 D N 0.294 120.579 120.400 -0.191 0.000 2.324 183 D HA 0.267 4.907 4.640 -0.000 0.000 0.212 183 D C 0.276 176.344 176.300 -0.387 0.000 0.984 183 D CA 0.847 54.653 54.000 -0.323 0.000 0.885 183 D CB 1.264 41.745 40.800 -0.531 0.000 0.996 183 D HN 0.364 nan 8.370 nan 0.000 0.505 184 I N 0.619 120.981 120.570 -0.347 0.000 2.656 184 I HA 0.255 4.425 4.170 -0.000 0.000 0.292 184 I C -1.233 174.656 176.117 -0.380 0.000 1.144 184 I CA -0.779 60.284 61.300 -0.394 0.000 1.038 184 I CB 3.343 41.064 38.000 -0.464 0.000 1.244 184 I HN -0.413 nan 8.210 nan 0.000 0.420 185 V N 5.690 125.351 119.914 -0.421 0.000 2.569 185 V HA 0.401 4.521 4.120 -0.000 0.000 0.301 185 V C -0.747 175.097 176.094 -0.417 0.000 1.044 185 V CA -0.607 61.491 62.300 -0.337 0.000 0.874 185 V CB 1.816 33.515 31.823 -0.207 0.000 1.002 185 V HN 0.381 nan 8.190 nan 0.000 0.424 186 F N 3.350 123.192 119.950 -0.180 0.000 2.438 186 F HA 0.700 5.227 4.527 0.000 0.000 0.356 186 F C 0.722 176.414 175.800 -0.179 0.000 1.099 186 F CA 0.008 57.883 58.000 -0.208 0.000 1.185 186 F CB 1.210 40.043 39.000 -0.278 0.000 1.115 186 F HN 0.587 nan 8.300 nan 0.000 0.526 187 A N 2.433 125.237 122.820 -0.026 0.000 2.414 187 A HA 0.944 5.264 4.320 -0.000 0.000 0.306 187 A C -0.044 177.504 177.584 -0.060 0.000 1.054 187 A CA 0.072 52.074 52.037 -0.059 0.000 0.724 187 A CB 1.547 20.486 19.000 -0.102 0.000 1.267 187 A HN 1.048 nan 8.150 nan 0.000 0.418 188 G N -0.368 108.401 108.800 -0.051 0.000 2.564 188 G HA2 0.715 4.675 3.960 -0.000 0.000 0.139 188 G HA3 0.715 4.675 3.960 -0.000 0.000 0.139 188 G C -0.045 174.836 174.900 -0.032 0.000 1.147 188 G CA 0.527 45.593 45.100 -0.058 0.000 1.031 188 G HN 2.447 nan 8.290 nan 0.000 0.482 189 G N -2.084 106.700 108.800 -0.026 0.000 2.321 189 G HA2 0.790 4.750 3.960 -0.000 0.000 0.296 189 G HA3 0.790 4.750 3.960 -0.000 0.000 0.296 189 G C -0.502 174.409 174.900 0.019 0.000 1.287 189 G CA 0.758 45.860 45.100 0.002 0.000 0.846 189 G HN 2.139 nan 8.290 nan 0.000 0.508 190 G N -1.298 107.528 108.800 0.045 0.000 2.692 190 G HA2 0.684 4.644 3.960 -0.000 0.000 0.291 190 G HA3 0.684 4.644 3.960 -0.000 0.000 0.291 190 G C -1.974 172.980 174.900 0.090 0.000 1.423 190 G CA -0.265 44.892 45.100 0.095 0.000 0.843 190 G HN 0.719 nan 8.290 nan 0.000 0.486 191 E N -0.199 120.088 120.200 0.144 0.000 2.311 191 E HA 0.356 4.706 4.350 -0.000 0.000 0.281 191 E C -0.248 176.468 176.600 0.193 0.000 0.905 191 E CA -0.665 55.799 56.400 0.107 0.000 0.778 191 E CB 1.460 31.171 29.700 0.018 0.000 1.240 191 E HN 0.705 nan 8.360 nan 0.000 0.410 192 E N 2.955 123.237 120.200 0.137 0.000 2.371 192 E HA 0.415 4.765 4.350 -0.000 0.000 0.257 192 E C -0.721 175.943 176.600 0.106 0.000 1.134 192 E CA -0.836 55.645 56.400 0.136 0.000 0.919 192 E CB 1.138 30.867 29.700 0.049 0.000 1.025 192 E HN 0.239 nan 8.360 nan 0.000 0.438 193 L N 2.311 123.574 121.223 0.067 0.000 2.343 193 L HA 0.444 4.784 4.340 -0.000 0.000 0.278 193 L C -1.300 175.608 176.870 0.063 0.000 0.996 193 L CA -0.344 54.494 54.840 -0.004 0.000 0.831 193 L CB 0.828 42.722 42.059 -0.275 0.000 1.232 193 L HN 0.936 nan 8.230 nan 0.000 0.413 194 C N 2.046 121.452 119.300 0.177 0.000 3.285 194 C HA 0.446 4.906 4.460 -0.000 0.000 0.325 194 C C 1.079 176.186 174.990 0.195 0.000 1.304 194 C CA -0.993 58.134 59.018 0.182 0.000 1.319 194 C CB 0.705 28.410 27.740 -0.059 0.000 1.640 194 C HN 1.031 nan 8.230 nan 0.000 0.477 195 W N 0.892 122.311 121.300 0.199 0.000 2.402 195 W HA 0.025 4.685 4.660 0.000 0.000 0.286 195 W C 1.064 177.656 176.519 0.122 0.000 1.221 195 W CA 1.798 59.223 57.345 0.133 0.000 1.257 195 W CB -1.113 28.382 29.460 0.058 0.000 1.120 195 W HN 0.873 nan 8.180 nan 0.000 0.551 196 E N 0.850 120.419 120.200 -1.051 0.000 2.114 196 E HA -0.270 4.080 4.350 -0.000 0.000 0.199 196 E C 2.323 178.767 176.600 -0.259 0.000 1.008 196 E CA 2.840 58.654 56.400 -0.977 0.000 0.810 196 E CB -0.655 28.505 29.700 -0.899 0.000 0.739 196 E HN 0.388 nan 8.360 nan 0.000 0.456 197 M N -0.854 118.697 119.600 -0.081 0.000 2.447 197 M HA 0.143 4.623 4.480 -0.000 0.000 0.266 197 M C 2.041 178.515 176.300 0.290 0.000 1.120 197 M CA 1.064 56.431 55.300 0.111 0.000 1.166 197 M CB 0.186 32.883 32.600 0.162 0.000 1.349 197 M HN 0.148 nan 8.290 nan 0.000 0.463 198 A N 0.432 123.435 122.820 0.306 0.000 1.933 198 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 198 A C 2.301 180.093 177.584 0.346 0.000 1.175 198 A CA 1.749 54.018 52.037 0.387 0.000 0.628 198 A CB -1.702 17.493 19.000 0.325 0.000 0.814 198 A HN 0.868 nan 8.150 nan 0.000 0.444 199 C N -0.450 119.025 119.300 0.292 0.000 2.419 199 C HA -0.053 4.407 4.460 -0.000 0.000 0.281 199 C C 2.130 177.229 174.990 0.181 0.000 1.336 199 C CA 0.954 60.121 59.018 0.250 0.000 1.770 199 C CB -1.524 26.403 27.740 0.313 0.000 1.929 199 C HN 0.659 nan 8.230 nan 0.000 0.509 200 E N 0.464 120.748 120.200 0.141 0.000 2.106 200 E HA -0.096 4.254 4.350 -0.000 0.000 0.192 200 E C 1.743 178.327 176.600 -0.027 0.000 0.984 200 E CA 1.352 57.755 56.400 0.005 0.000 0.806 200 E CB -0.340 29.289 29.700 -0.119 0.000 0.750 200 E HN 0.763 nan 8.360 nan 0.000 0.458 201 F N 1.260 121.316 119.950 0.176 0.000 2.206 201 F HA -0.104 4.423 4.527 -0.000 0.000 0.298 201 F C 2.209 178.065 175.800 0.094 0.000 1.090 201 F CA 0.961 59.079 58.000 0.197 0.000 1.323 201 F CB -0.080 39.056 39.000 0.226 0.000 1.028 201 F HN -0.045 nan 8.300 nan 0.000 0.492 202 D N 0.270 120.811 120.400 0.236 0.000 2.144 202 D HA -0.118 4.522 4.640 -0.000 0.000 0.200 202 D C 2.254 178.615 176.300 0.102 0.000 0.978 202 D CA 1.176 55.253 54.000 0.128 0.000 0.833 202 D CB -0.198 40.673 40.800 0.118 0.000 0.961 202 D HN 0.156 nan 8.370 nan 0.000 0.470 203 A N 0.722 123.602 122.820 0.101 0.000 2.070 203 A HA -0.127 4.193 4.320 -0.000 0.000 0.220 203 A C 2.174 179.791 177.584 0.056 0.000 1.159 203 A CA 1.704 53.782 52.037 0.068 0.000 0.656 203 A CB -0.743 18.290 19.000 0.056 0.000 0.800 203 A HN 0.517 nan 8.150 nan 0.000 0.453 204 M N -3.117 116.528 119.600 0.075 0.000 2.383 204 M HA 0.461 4.941 4.480 -0.000 0.000 0.247 204 M C 1.020 177.373 176.300 0.089 0.000 1.117 204 M CA 0.601 55.941 55.300 0.066 0.000 0.995 204 M CB 0.018 32.652 32.600 0.057 0.000 1.480 204 M HN 0.555 nan 8.290 nan 0.000 0.485 205 G N 1.052 109.905 108.800 0.088 0.000 2.198 205 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.260 205 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.260 205 G C 0.752 175.708 174.900 0.093 0.000 1.025 205 G CA 0.411 45.555 45.100 0.073 0.000 0.769 205 G HN 0.779 nan 8.290 nan 0.000 0.507 206 A N -1.003 121.902 122.820 0.142 0.000 2.132 206 A HA 0.635 4.955 4.320 -0.000 0.000 0.213 206 A C 1.271 178.775 177.584 -0.133 0.000 1.154 206 A CA 0.665 52.809 52.037 0.178 0.000 0.753 206 A CB 0.148 19.456 19.000 0.515 0.000 0.826 206 A HN 0.636 nan 8.150 nan 0.000 0.469 207 L N -0.062 121.036 121.223 -0.208 0.000 2.360 207 L HA 0.348 4.688 4.340 -0.000 0.000 0.271 207 L C 0.716 177.508 176.870 -0.131 0.000 1.057 207 L CA -0.576 54.053 54.840 -0.352 0.000 0.803 207 L CB 1.546 43.444 42.059 -0.269 0.000 1.207 207 L HN 0.149 nan 8.230 nan 0.000 0.445 208 S N 0.147 115.790 115.700 -0.095 0.000 2.549 208 S HA 0.155 4.625 4.470 -0.000 0.000 0.283 208 S C 0.734 175.344 174.600 0.016 0.000 1.320 208 S CA 0.178 58.395 58.200 0.029 0.000 1.058 208 S CB 0.419 63.674 63.200 0.092 0.000 0.882 208 S HN 0.830 nan 8.310 nan 0.000 0.498 209 T N 1.322 115.886 114.554 0.015 0.000 3.080 209 T HA 0.338 4.688 4.350 -0.000 0.000 0.280 209 T C 0.778 175.416 174.700 -0.104 0.000 0.926 209 T CA -0.450 61.611 62.100 -0.065 0.000 0.883 209 T CB -0.099 68.720 68.868 -0.081 0.000 1.194 209 T HN 0.592 nan 8.240 nan 0.000 0.541 210 K N 0.303 120.638 120.400 -0.108 0.000 2.404 210 K HA 0.254 4.574 4.320 -0.000 0.000 0.194 210 K C -0.397 175.876 176.600 -0.544 0.000 1.023 210 K CA 0.241 56.326 56.287 -0.337 0.000 1.094 210 K CB 0.186 32.414 32.500 -0.454 0.000 0.841 210 K HN 0.461 nan 8.250 nan 0.000 0.523 211 Y N -0.199 120.095 120.300 -0.010 0.000 2.698 211 Y HA 0.206 4.756 4.550 -0.000 0.000 0.261 211 Y C 0.761 176.676 175.900 0.024 0.000 1.104 211 Y CA -0.661 57.444 58.100 0.010 0.000 1.145 211 Y CB 0.137 38.610 38.460 0.022 0.000 1.191 211 Y HN -0.003 nan 8.280 nan 0.000 0.564 212 N N 0.554 119.307 118.700 0.088 0.000 2.381 212 N HA -0.144 4.596 4.740 -0.000 0.000 0.182 212 N C 0.864 176.466 175.510 0.153 0.000 1.025 212 N CA 1.237 54.369 53.050 0.136 0.000 0.888 212 N CB 0.109 38.630 38.487 0.058 0.000 0.965 212 N HN 0.493 nan 8.380 nan 0.000 0.438 213 D N -0.228 120.220 120.400 0.081 0.000 2.289 213 D HA -0.020 4.620 4.640 -0.000 0.000 0.207 213 D C 0.525 176.863 176.300 0.062 0.000 0.966 213 D CA 0.872 54.894 54.000 0.038 0.000 0.868 213 D CB 0.192 40.996 40.800 0.007 0.000 0.943 213 D HN 0.301 nan 8.370 nan 0.000 0.514 214 T N -1.684 112.940 114.554 0.118 0.000 3.410 214 T HA 0.335 4.685 4.350 -0.000 0.000 0.328 214 T C -2.313 172.469 174.700 0.136 0.000 1.567 214 T CA -1.731 60.440 62.100 0.118 0.000 1.626 214 T CB 1.827 70.775 68.868 0.134 0.000 0.939 214 T HN -0.291 nan 8.240 nan 0.000 0.656 215 P HA -0.203 nan 4.420 nan 0.000 0.217 215 P C 1.387 178.744 177.300 0.095 0.000 1.158 215 P CA 1.468 64.654 63.100 0.145 0.000 0.887 215 P CB 0.110 31.916 31.700 0.176 0.000 0.792 216 E N -0.698 119.545 120.200 0.070 0.000 2.401 216 E HA -0.146 4.204 4.350 -0.000 0.000 0.199 216 E C 1.329 177.924 176.600 -0.008 0.000 1.023 216 E CA 0.761 57.181 56.400 0.034 0.000 0.859 216 E CB -0.298 29.420 29.700 0.029 0.000 0.780 216 E HN 0.432 nan 8.360 nan 0.000 0.523 217 K N -0.213 120.174 120.400 -0.021 0.000 2.358 217 K HA 0.217 4.537 4.320 -0.000 0.000 0.200 217 K C 1.779 178.191 176.600 -0.312 0.000 1.030 217 K CA 0.262 56.474 56.287 -0.125 0.000 1.097 217 K CB 0.691 33.142 32.500 -0.080 0.000 0.862 217 K HN -0.019 nan 8.250 nan 0.000 0.534 218 A N 1.342 124.071 122.820 -0.153 0.000 1.877 218 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 218 A C 1.428 178.905 177.584 -0.179 0.000 1.186 218 A CA 1.253 53.203 52.037 -0.146 0.000 0.620 218 A CB -0.174 18.870 19.000 0.073 0.000 0.822 218 A HN 0.165 nan 8.150 nan 0.000 0.443 219 S N 0.683 116.326 115.700 -0.094 0.000 2.416 219 S HA 0.407 4.877 4.470 -0.000 0.000 0.287 219 S C 0.258 174.788 174.600 -0.117 0.000 1.139 219 S CA -0.648 57.511 58.200 -0.068 0.000 1.058 219 S CB -0.170 63.022 63.200 -0.013 0.000 0.967 219 S HN 0.476 nan 8.310 nan 0.000 0.495 220 R N 2.950 123.369 120.500 -0.135 0.000 2.674 220 R HA 0.209 4.549 4.340 -0.000 0.000 0.270 220 R C -0.748 175.488 176.300 -0.106 0.000 1.492 220 R CA -0.638 55.387 56.100 -0.125 0.000 1.624 220 R CB -0.775 29.419 30.300 -0.176 0.000 1.307 220 R HN 0.404 nan 8.270 nan 0.000 0.683 221 T N 2.247 116.699 114.554 -0.171 0.000 2.891 221 T HA -0.071 4.279 4.350 -0.000 0.000 0.296 221 T C -0.050 174.465 174.700 -0.308 0.000 1.025 221 T CA 0.950 62.824 62.100 -0.376 0.000 1.149 221 T CB -0.126 68.395 68.868 -0.577 0.000 1.007 221 T HN 0.564 nan 8.240 nan 0.000 0.528 222 Y N -1.117 119.199 120.300 0.026 0.000 4.894 222 Y HA -0.206 4.344 4.550 -0.000 0.000 0.270 222 Y C 0.694 176.619 175.900 0.042 0.000 0.930 222 Y CA 0.462 58.582 58.100 0.033 0.000 1.814 222 Y CB -2.202 36.274 38.460 0.026 0.000 1.235 222 Y HN 0.753 nan 8.280 nan 0.000 0.480 223 D N 0.633 121.114 120.400 0.135 0.000 2.351 223 D HA 0.567 5.207 4.640 -0.000 0.000 0.251 223 D C 1.246 177.644 176.300 0.163 0.000 1.137 223 D CA 0.775 54.852 54.000 0.129 0.000 0.879 223 D CB 1.302 42.143 40.800 0.069 0.000 1.181 223 D HN 0.278 nan 8.370 nan 0.000 0.448 224 A N 3.412 126.359 122.820 0.211 0.000 2.131 224 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 224 A C 1.099 178.767 177.584 0.140 0.000 1.158 224 A CA 1.373 53.522 52.037 0.186 0.000 0.665 224 A CB -0.533 18.587 19.000 0.201 0.000 0.795 224 A HN 0.737 nan 8.150 nan 0.000 0.460 225 H N -0.399 118.726 119.070 0.091 0.000 2.505 225 H HA 0.173 4.729 4.556 -0.000 0.000 0.289 225 H C 0.659 176.093 175.328 0.176 0.000 1.052 225 H CA -0.117 56.017 56.048 0.142 0.000 1.156 225 H CB -0.059 29.821 29.762 0.196 0.000 1.507 225 H HN 0.641 nan 8.280 nan 0.000 0.548 226 R N 1.371 121.980 120.500 0.182 0.000 2.679 226 R HA 0.056 4.396 4.340 -0.000 0.000 0.268 226 R C -0.468 175.925 176.300 0.155 0.000 1.044 226 R CA 0.413 56.586 56.100 0.122 0.000 1.105 226 R CB 0.459 30.788 30.300 0.050 0.000 0.989 226 R HN 0.196 nan 8.270 nan 0.000 0.447 227 D N 0.455 120.958 120.400 0.172 0.000 2.785 227 D HA 0.227 4.867 4.640 -0.000 0.000 0.324 227 D C 0.012 176.373 176.300 0.102 0.000 1.523 227 D CA 0.014 54.100 54.000 0.143 0.000 0.789 227 D CB 0.437 41.340 40.800 0.172 0.000 1.171 227 D HN 0.909 nan 8.370 nan 0.000 0.447 228 G N 0.466 109.322 108.800 0.094 0.000 2.406 228 G HA2 0.228 4.188 3.960 -0.000 0.000 0.680 228 G HA3 0.228 4.188 3.960 -0.000 0.000 0.680 228 G C -0.605 174.343 174.900 0.079 0.000 1.338 228 G CA -0.707 44.438 45.100 0.076 0.000 0.941 228 G HN 0.305 nan 8.290 nan 0.000 0.633 229 F N -0.453 119.512 119.950 0.025 0.000 2.378 229 F HA 0.809 5.336 4.527 0.000 0.000 0.319 229 F C 0.271 176.088 175.800 0.028 0.000 1.155 229 F CA -1.396 56.596 58.000 -0.014 0.000 1.157 229 F CB 1.204 40.157 39.000 -0.079 0.000 1.252 229 F HN 0.390 nan 8.300 nan 0.000 0.550 230 V N 4.143 124.206 119.914 0.247 0.000 2.347 230 V HA 0.250 4.370 4.120 -0.000 0.000 0.280 230 V C 0.237 176.523 176.094 0.320 0.000 1.021 230 V CA -0.869 61.526 62.300 0.157 0.000 0.847 230 V CB 1.105 33.012 31.823 0.139 0.000 0.990 230 V HN 0.844 nan 8.190 nan 0.000 0.444 231 I N 4.763 125.471 120.570 0.231 0.000 2.692 231 I HA 0.490 4.660 4.170 -0.000 0.000 0.284 231 I C 0.487 176.726 176.117 0.204 0.000 1.159 231 I CA 0.543 62.018 61.300 0.293 0.000 1.423 231 I CB 0.807 38.929 38.000 0.203 0.000 1.380 231 I HN 0.790 nan 8.210 nan 0.000 0.580 232 A N 4.970 127.842 122.820 0.086 0.000 2.566 232 A HA 0.872 5.192 4.320 -0.000 0.000 0.292 232 A C -0.573 176.956 177.584 -0.092 0.000 1.112 232 A CA -0.123 51.904 52.037 -0.018 0.000 0.707 232 A CB 1.389 20.375 19.000 -0.025 0.000 1.302 232 A HN 0.833 nan 8.150 nan 0.000 0.409 233 G N -1.594 107.106 108.800 -0.168 0.000 2.816 233 G HA2 0.931 4.891 3.960 -0.000 0.000 0.288 233 G HA3 0.931 4.891 3.960 -0.000 0.000 0.288 233 G C -0.004 174.715 174.900 -0.302 0.000 1.334 233 G CA -0.285 44.721 45.100 -0.157 0.000 0.978 233 G HN 2.288 nan 8.290 nan 0.000 0.493 234 G N -2.202 106.381 108.800 -0.362 0.000 2.325 234 G HA2 0.595 4.555 3.960 -0.000 0.000 0.285 234 G HA3 0.595 4.555 3.960 -0.000 0.000 0.285 234 G C -0.354 174.455 174.900 -0.153 0.000 1.303 234 G CA 0.164 44.919 45.100 -0.575 0.000 0.970 234 G HN 1.954 nan 8.290 nan 0.000 0.490 235 G N -1.817 106.910 108.800 -0.121 0.000 2.684 235 G HA2 1.014 4.973 3.960 -0.000 0.000 0.290 235 G HA3 1.014 4.973 3.960 -0.000 0.000 0.290 235 G C -0.371 174.490 174.900 -0.064 0.000 1.425 235 G CA 0.291 45.388 45.100 -0.004 0.000 0.822 235 G HN 2.073 nan 8.290 nan 0.000 0.482 236 G N -1.172 107.590 108.800 -0.064 0.000 2.742 236 G HA2 0.665 4.625 3.960 -0.000 0.000 0.296 236 G HA3 0.665 4.625 3.960 -0.000 0.000 0.296 236 G C -1.671 173.175 174.900 -0.090 0.000 1.436 236 G CA -0.612 44.425 45.100 -0.105 0.000 0.928 236 G HN 0.892 nan 8.290 nan 0.000 0.520 237 M N 1.384 120.924 119.600 -0.101 0.000 2.365 237 M HA 0.661 5.141 4.480 -0.000 0.000 0.287 237 M C -1.005 175.239 176.300 -0.093 0.000 1.154 237 M CA -0.764 54.483 55.300 -0.089 0.000 0.941 237 M CB 2.247 34.787 32.600 -0.100 0.000 1.704 237 M HN 1.115 nan 8.290 nan 0.000 0.479 238 V N 1.867 121.730 119.914 -0.085 0.000 2.914 238 V HA 0.901 5.021 4.120 -0.000 0.000 0.314 238 V C -1.110 174.932 176.094 -0.086 0.000 1.084 238 V CA -0.927 61.313 62.300 -0.100 0.000 0.963 238 V CB 1.827 33.568 31.823 -0.137 0.000 1.025 238 V HN 0.602 nan 8.190 nan 0.000 0.432 239 V N 3.812 123.665 119.914 -0.102 0.000 2.348 239 V HA 0.355 4.475 4.120 -0.000 0.000 0.270 239 V C 0.159 176.124 176.094 -0.215 0.000 1.037 239 V CA -0.342 61.822 62.300 -0.226 0.000 0.872 239 V CB 1.061 32.772 31.823 -0.187 0.000 1.002 239 V HN 0.736 nan 8.190 nan 0.000 0.464 240 V N 5.088 124.842 119.914 -0.265 0.000 2.432 240 V HA 0.489 4.609 4.120 -0.000 0.000 0.275 240 V C 0.065 176.022 176.094 -0.228 0.000 1.043 240 V CA -0.285 61.894 62.300 -0.203 0.000 0.925 240 V CB 1.302 33.012 31.823 -0.188 0.000 0.985 240 V HN 0.974 nan 8.190 nan 0.000 0.466 241 E N 2.600 122.703 120.200 -0.161 0.000 2.340 241 E HA 0.330 4.680 4.350 -0.000 0.000 0.273 241 E C -0.848 175.696 176.600 -0.093 0.000 0.891 241 E CA -0.748 55.560 56.400 -0.153 0.000 0.757 241 E CB 1.894 31.525 29.700 -0.114 0.000 1.231 241 E HN 0.699 nan 8.360 nan 0.000 0.439 242 E N 3.470 123.615 120.200 -0.091 0.000 2.384 242 E HA -0.032 4.318 4.350 -0.000 0.000 0.266 242 E C 0.814 177.422 176.600 0.012 0.000 1.012 242 E CA -0.086 56.292 56.400 -0.036 0.000 0.901 242 E CB 1.101 30.783 29.700 -0.030 0.000 0.967 242 E HN 0.622 nan 8.360 nan 0.000 0.435 243 L N 5.602 126.828 121.223 0.004 0.000 1.971 243 L HA -0.239 4.101 4.340 -0.000 0.000 0.215 243 L C 1.904 178.787 176.870 0.022 0.000 1.072 243 L CA 1.983 56.827 54.840 0.007 0.000 0.758 243 L CB -0.433 41.626 42.059 -0.001 0.000 0.889 243 L HN 0.553 nan 8.230 nan 0.000 0.433 244 E N -0.977 119.240 120.200 0.030 0.000 2.085 244 E HA -0.270 4.080 4.350 -0.000 0.000 0.194 244 E C 2.239 178.861 176.600 0.037 0.000 0.994 244 E CA 1.428 57.844 56.400 0.026 0.000 0.801 244 E CB -0.706 29.009 29.700 0.025 0.000 0.743 244 E HN 0.684 nan 8.360 nan 0.000 0.453 245 H N 0.427 119.481 119.070 -0.026 0.000 2.353 245 H HA -0.020 4.536 4.556 -0.000 0.000 0.300 245 H C 1.821 177.132 175.328 -0.029 0.000 1.090 245 H CA 1.691 57.723 56.048 -0.027 0.000 1.327 245 H CB 0.213 29.955 29.762 -0.034 0.000 1.383 245 H HN 0.128 nan 8.280 nan 0.000 0.508 246 A N 1.059 123.943 122.820 0.108 0.000 1.898 246 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 246 A C 2.856 180.432 177.584 -0.014 0.000 1.181 246 A CA 1.084 53.148 52.037 0.046 0.000 0.620 246 A CB -0.793 18.221 19.000 0.024 0.000 0.819 246 A HN 0.400 nan 8.150 nan 0.000 0.442 247 L N -0.723 120.489 121.223 -0.018 0.000 2.093 247 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 247 L C 3.072 179.914 176.870 -0.046 0.000 1.085 247 L CA 0.962 55.785 54.840 -0.029 0.000 0.755 247 L CB -0.570 41.476 42.059 -0.021 0.000 0.904 247 L HN 0.429 nan 8.230 nan 0.000 0.435 248 A N 1.133 123.911 122.820 -0.070 0.000 1.940 248 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 248 A C 2.251 179.773 177.584 -0.104 0.000 1.176 248 A CA 1.855 53.835 52.037 -0.094 0.000 0.631 248 A CB -0.525 18.394 19.000 -0.136 0.000 0.814 248 A HN 0.587 nan 8.150 nan 0.000 0.446 249 R N -1.214 119.213 120.500 -0.121 0.000 2.359 249 R HA 0.349 4.689 4.340 -0.000 0.000 0.231 249 R C 0.928 177.201 176.300 -0.044 0.000 0.913 249 R CA 0.602 56.647 56.100 -0.091 0.000 1.075 249 R CB -0.650 29.585 30.300 -0.108 0.000 1.087 249 R HN 0.739 nan 8.270 nan 0.000 0.515 250 G N 0.926 109.703 108.800 -0.037 0.000 2.295 250 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.287 250 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.287 250 G C 0.283 175.180 174.900 -0.006 0.000 1.055 250 G CA 0.212 45.300 45.100 -0.020 0.000 0.922 250 G HN 0.714 nan 8.290 nan 0.000 0.503 251 A N -0.433 122.384 122.820 -0.005 0.000 2.346 251 A HA 0.603 4.923 4.320 -0.000 0.000 0.252 251 A C 0.425 178.021 177.584 0.019 0.000 1.089 251 A CA 0.258 52.303 52.037 0.014 0.000 0.797 251 A CB 0.352 19.359 19.000 0.012 0.000 1.047 251 A HN 1.390 nan 8.150 nan 0.000 0.494 252 H N 0.446 119.463 119.070 -0.088 0.000 2.668 252 H HA 0.521 5.077 4.556 -0.000 0.000 0.303 252 H C -0.771 174.443 175.328 -0.189 0.000 1.074 252 H CA -0.446 55.502 56.048 -0.167 0.000 1.406 252 H CB 0.042 29.663 29.762 -0.235 0.000 1.442 252 H HN 0.397 nan 8.280 nan 0.000 0.482 253 I N 7.143 127.380 120.570 -0.555 0.000 2.312 253 I HA 0.024 4.194 4.170 -0.000 0.000 0.290 253 I C 0.112 175.869 176.117 -0.600 0.000 1.008 253 I CA -0.455 60.588 61.300 -0.429 0.000 1.226 253 I CB 0.866 38.750 38.000 -0.193 0.000 1.371 253 I HN 0.739 nan 8.210 nan 0.000 0.468 254 Y N 5.163 125.215 120.300 -0.413 0.000 2.184 254 Y HA 0.175 4.725 4.550 -0.000 0.000 0.290 254 Y C 1.270 177.076 175.900 -0.157 0.000 1.129 254 Y CA 1.014 58.947 58.100 -0.277 0.000 1.144 254 Y CB 0.142 38.511 38.460 -0.151 0.000 0.995 254 Y HN 0.674 nan 8.280 nan 0.000 0.513 255 A N -0.815 122.029 122.820 0.041 0.000 2.544 255 A HA 0.399 4.719 4.320 -0.000 0.000 0.291 255 A C -1.470 176.112 177.584 -0.003 0.000 1.055 255 A CA -0.847 51.197 52.037 0.012 0.000 0.651 255 A CB 0.632 19.651 19.000 0.032 0.000 1.296 255 A HN 0.073 nan 8.150 nan 0.000 0.431 256 E N 0.478 120.675 120.200 -0.005 0.000 2.204 256 E HA 0.611 4.961 4.350 -0.000 0.000 0.276 256 E C -1.125 175.475 176.600 0.000 0.000 0.974 256 E CA -0.602 55.793 56.400 -0.007 0.000 0.815 256 E CB 0.890 30.588 29.700 -0.004 0.000 1.119 256 E HN 0.488 nan 8.360 nan 0.000 0.393 257 I N 5.693 126.260 120.570 -0.006 0.000 2.308 257 I HA 0.035 4.205 4.170 -0.000 0.000 0.293 257 I C 1.010 177.141 176.117 0.023 0.000 1.078 257 I CA -0.313 60.988 61.300 0.002 0.000 1.292 257 I CB 0.927 38.914 38.000 -0.021 0.000 1.423 257 I HN 0.507 nan 8.210 nan 0.000 0.493 258 V N 2.625 122.561 119.914 0.036 0.000 3.650 258 V HA 0.498 4.618 4.120 -0.000 0.000 0.271 258 V C 0.710 176.845 176.094 0.068 0.000 1.281 258 V CA 0.154 62.482 62.300 0.046 0.000 1.120 258 V CB -0.085 31.762 31.823 0.039 0.000 0.856 258 V HN 0.705 nan 8.190 nan 0.000 0.443 259 G N -0.466 108.385 108.800 0.085 0.000 2.759 259 G HA2 0.545 4.505 3.960 -0.000 0.000 0.297 259 G HA3 0.545 4.505 3.960 -0.000 0.000 0.297 259 G C -2.308 172.700 174.900 0.180 0.000 1.434 259 G CA -0.583 44.584 45.100 0.112 0.000 0.980 259 G HN 0.347 nan 8.290 nan 0.000 0.531 260 Y N 1.195 121.509 120.300 0.023 0.000 2.330 260 Y HA 0.675 5.225 4.550 -0.000 0.000 0.324 260 Y C -0.203 175.716 175.900 0.032 0.000 1.093 260 Y CA -1.138 56.974 58.100 0.020 0.000 1.103 260 Y CB 1.742 40.213 38.460 0.019 0.000 1.183 260 Y HN 0.858 nan 8.280 nan 0.000 0.433 261 G N 3.097 111.741 108.800 -0.259 0.000 2.452 261 G HA2 0.760 4.720 3.960 -0.000 0.000 0.324 261 G HA3 0.760 4.720 3.960 -0.000 0.000 0.324 261 G C -1.692 172.948 174.900 -0.432 0.000 1.214 261 G CA -0.619 44.279 45.100 -0.336 0.000 0.947 261 G HN 1.161 nan 8.290 nan 0.000 0.478 262 A N 1.552 124.156 122.820 -0.360 0.000 2.476 262 A HA 0.851 5.171 4.320 -0.000 0.000 0.280 262 A C -0.017 177.552 177.584 -0.025 0.000 1.081 262 A CA -0.093 51.890 52.037 -0.089 0.000 0.753 262 A CB 1.221 20.161 19.000 -0.099 0.000 1.248 262 A HN 1.538 nan 8.150 nan 0.000 0.424 263 T N -1.446 113.143 114.554 0.058 0.000 2.804 263 T HA 0.861 5.211 4.350 -0.000 0.000 0.290 263 T C -0.284 174.447 174.700 0.051 0.000 1.099 263 T CA -0.520 61.595 62.100 0.025 0.000 1.011 263 T CB 1.744 70.612 68.868 0.001 0.000 1.291 263 T HN 1.314 nan 8.240 nan 0.000 0.523 264 S N -1.007 114.704 115.700 0.018 0.000 2.536 264 S HA 0.466 4.936 4.470 -0.000 0.000 0.287 264 S C -0.221 174.378 174.600 -0.001 0.000 1.101 264 S CA -0.608 57.604 58.200 0.020 0.000 0.950 264 S CB 1.606 64.812 63.200 0.011 0.000 1.056 264 S HN 0.696 nan 8.310 nan 0.000 0.481 265 D N 2.736 123.135 120.400 -0.002 0.000 2.137 265 D HA 0.155 4.795 4.640 -0.000 0.000 0.202 265 D C 1.462 177.755 176.300 -0.012 0.000 0.970 265 D CA 1.488 55.476 54.000 -0.020 0.000 0.837 265 D CB -0.507 40.279 40.800 -0.023 0.000 0.981 265 D HN 1.035 nan 8.370 nan 0.000 0.475 266 G N 0.132 108.932 108.800 -0.001 0.000 2.323 266 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.292 266 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.292 266 G C 0.626 175.522 174.900 -0.005 0.000 1.040 266 G CA 0.915 46.014 45.100 -0.002 0.000 0.942 266 G HN 0.620 nan 8.290 nan 0.000 0.506 267 A N -0.899 121.918 122.820 -0.004 0.000 1.758 267 A HA 0.674 4.994 4.320 -0.000 0.000 0.172 267 A C 0.400 177.981 177.584 -0.005 0.000 1.924 267 A CA 1.058 53.090 52.037 -0.007 0.000 1.449 267 A CB 0.296 19.288 19.000 -0.013 0.000 1.075 267 A HN 0.507 nan 8.150 nan 0.000 0.777 268 D N -1.409 118.989 120.400 -0.003 0.000 2.181 268 D HA 0.496 5.136 4.640 -0.000 0.000 0.248 268 D C 0.754 177.052 176.300 -0.003 0.000 1.020 268 D CA -0.454 53.542 54.000 -0.007 0.000 0.891 268 D CB 1.483 42.279 40.800 -0.006 0.000 1.187 268 D HN 0.171 nan 8.370 nan 0.000 0.443 269 M N 2.699 122.283 119.600 -0.026 0.000 2.156 269 M HA 0.010 4.490 4.480 -0.000 0.000 0.264 269 M C 1.025 177.266 176.300 -0.098 0.000 1.067 269 M CA 1.437 56.713 55.300 -0.040 0.000 1.131 269 M CB 0.252 32.814 32.600 -0.064 0.000 1.368 269 M HN 0.416 nan 8.290 nan 0.000 0.416 270 V N -3.123 116.689 119.914 -0.169 0.000 3.253 270 V HA 0.717 4.837 4.120 -0.000 0.000 0.320 270 V C 0.095 176.162 176.094 -0.044 0.000 1.442 270 V CA -0.055 62.038 62.300 -0.345 0.000 1.097 270 V CB -0.951 30.533 31.823 -0.566 0.000 1.008 270 V HN 0.241 nan 8.190 nan 0.000 0.463 271 A N 1.770 124.605 122.820 0.026 0.000 2.393 271 A HA 0.908 5.228 4.320 -0.000 0.000 0.306 271 A C -3.068 174.549 177.584 0.055 0.000 1.050 271 A CA -1.708 50.370 52.037 0.067 0.000 0.724 271 A CB 1.528 20.548 19.000 0.034 0.000 1.248 271 A HN 0.202 nan 8.150 nan 0.000 0.424 272 P HA 0.125 nan 4.420 nan 0.000 0.275 272 P C 0.660 177.932 177.300 -0.046 0.000 1.227 272 P CA 0.046 63.130 63.100 -0.027 0.000 0.781 272 P CB 1.528 33.187 31.700 -0.069 0.000 0.906 273 S N 1.398 117.053 115.700 -0.074 0.000 2.503 273 S HA 0.169 4.639 4.470 -0.000 0.000 0.217 273 S C 1.651 176.204 174.600 -0.078 0.000 0.999 273 S CA 0.775 58.940 58.200 -0.059 0.000 0.914 273 S CB -0.922 62.248 63.200 -0.050 0.000 0.782 273 S HN 0.726 nan 8.310 nan 0.000 0.520 274 G N 2.025 110.743 108.800 -0.137 0.000 2.550 274 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.233 274 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.233 274 G C 0.955 175.780 174.900 -0.124 0.000 1.170 274 G CA 0.613 45.629 45.100 -0.140 0.000 0.693 274 G HN 0.486 nan 8.290 nan 0.000 0.512 275 E N 1.784 121.931 120.200 -0.088 0.000 2.085 275 E HA -0.084 4.266 4.350 -0.000 0.000 0.194 275 E C 2.654 179.206 176.600 -0.081 0.000 0.994 275 E CA 2.279 58.638 56.400 -0.068 0.000 0.801 275 E CB -0.990 28.681 29.700 -0.049 0.000 0.743 275 E HN 0.650 nan 8.360 nan 0.000 0.453 276 G N 0.735 109.474 108.800 -0.102 0.000 2.418 276 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.217 276 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.217 276 G C 1.749 176.576 174.900 -0.121 0.000 1.158 276 G CA 1.338 46.380 45.100 -0.097 0.000 0.771 276 G HN 0.428 nan 8.290 nan 0.000 0.545 277 A N 0.168 122.843 122.820 -0.242 0.000 1.933 277 A HA 0.078 4.398 4.320 -0.000 0.000 0.218 277 A C 2.602 180.149 177.584 -0.061 0.000 1.175 277 A CA 1.781 53.655 52.037 -0.272 0.000 0.628 277 A CB -0.586 18.045 19.000 -0.615 0.000 0.814 277 A HN 0.250 nan 8.150 nan 0.000 0.444 278 V N -0.018 119.854 119.914 -0.071 0.000 2.295 278 V HA -0.287 3.833 4.120 -0.000 0.000 0.246 278 V C 2.636 178.708 176.094 -0.037 0.000 1.049 278 V CA 2.336 64.612 62.300 -0.040 0.000 1.024 278 V CB -0.801 30.995 31.823 -0.045 0.000 0.648 278 V HN 0.533 nan 8.190 nan 0.000 0.447 279 R N -1.139 119.338 120.500 -0.038 0.000 2.120 279 R HA -0.169 4.171 4.340 -0.000 0.000 0.234 279 R C 2.391 178.677 176.300 -0.022 0.000 1.123 279 R CA 1.602 57.683 56.100 -0.033 0.000 0.975 279 R CB -0.802 29.477 30.300 -0.035 0.000 0.866 279 R HN 0.571 nan 8.270 nan 0.000 0.446 280 C N 0.652 119.952 119.300 -0.000 0.000 2.453 280 C HA -0.050 4.410 4.460 -0.000 0.000 0.277 280 C C 2.583 177.593 174.990 0.033 0.000 1.262 280 C CA 0.809 59.843 59.018 0.026 0.000 1.718 280 C CB -0.629 27.177 27.740 0.111 0.000 2.031 280 C HN 0.458 nan 8.230 nan 0.000 0.480 281 M N 0.142 119.775 119.600 0.055 0.000 2.132 281 M HA -0.140 4.340 4.480 -0.000 0.000 0.263 281 M C 2.283 178.569 176.300 -0.024 0.000 1.065 281 M CA 1.783 57.108 55.300 0.043 0.000 1.122 281 M CB -0.482 32.156 32.600 0.063 0.000 1.365 281 M HN 0.359 nan 8.290 nan 0.000 0.411 282 K N 0.010 120.379 120.400 -0.053 0.000 2.097 282 K HA -0.162 4.158 4.320 -0.000 0.000 0.206 282 K C 1.981 178.582 176.600 0.002 0.000 1.049 282 K CA 1.377 57.629 56.287 -0.058 0.000 0.933 282 K CB -0.228 32.238 32.500 -0.056 0.000 0.717 282 K HN 0.372 nan 8.250 nan 0.000 0.442 283 M N 0.378 119.975 119.600 -0.005 0.000 2.132 283 M HA -0.128 4.352 4.480 -0.000 0.000 0.263 283 M C 2.070 178.380 176.300 0.016 0.000 1.065 283 M CA 1.587 56.882 55.300 -0.009 0.000 1.122 283 M CB -0.041 32.519 32.600 -0.067 0.000 1.365 283 M HN 0.157 nan 8.290 nan 0.000 0.411 284 A N 0.047 122.874 122.820 0.012 0.000 2.014 284 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 284 A C 1.878 179.499 177.584 0.061 0.000 1.163 284 A CA 1.268 53.331 52.037 0.043 0.000 0.652 284 A CB -0.542 18.491 19.000 0.055 0.000 0.808 284 A HN 0.630 nan 8.150 nan 0.000 0.449 285 M N -0.964 118.661 119.600 0.042 0.000 2.541 285 M HA 0.053 4.533 4.480 -0.000 0.000 0.252 285 M C 0.656 176.975 176.300 0.033 0.000 1.125 285 M CA 0.090 55.405 55.300 0.025 0.000 1.091 285 M CB 0.038 32.613 32.600 -0.041 0.000 1.420 285 M HN 0.398 nan 8.290 nan 0.000 0.486 286 H N 0.835 119.890 119.070 -0.024 0.000 3.046 286 H HA 0.078 4.634 4.556 -0.000 0.000 0.303 286 H C 1.043 176.366 175.328 -0.007 0.000 1.002 286 H CA 1.864 57.899 56.048 -0.021 0.000 1.460 286 H CB 0.368 30.115 29.762 -0.024 0.000 1.493 286 H HN 0.559 nan 8.280 nan 0.000 0.559 287 G N 3.984 112.676 108.800 -0.179 0.000 2.217 287 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.246 287 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.246 287 G C 0.184 175.074 174.900 -0.017 0.000 0.990 287 G CA 0.159 45.233 45.100 -0.043 0.000 0.627 287 G HN 0.617 nan 8.290 nan 0.000 0.522 288 V N 3.234 123.142 119.914 -0.009 0.000 2.381 288 V HA 0.314 4.434 4.120 -0.000 0.000 0.257 288 V C 1.314 177.404 176.094 -0.007 0.000 1.057 288 V CA 0.531 62.836 62.300 0.007 0.000 1.013 288 V CB 1.048 32.888 31.823 0.027 0.000 1.069 288 V HN 0.518 nan 8.190 nan 0.000 0.484 289 D N 2.634 123.032 120.400 -0.005 0.000 2.363 289 D HA -0.047 4.593 4.640 -0.000 0.000 0.226 289 D C 0.824 177.128 176.300 0.007 0.000 1.020 289 D CA 0.279 54.275 54.000 -0.007 0.000 0.892 289 D CB -0.122 40.674 40.800 -0.007 0.000 0.900 289 D HN 0.593 nan 8.370 nan 0.000 0.531 290 T N -2.317 112.248 114.554 0.018 0.000 2.885 290 T HA 0.572 4.922 4.350 -0.000 0.000 0.285 290 T C -2.694 172.033 174.700 0.046 0.000 1.019 290 T CA -1.847 60.270 62.100 0.029 0.000 1.010 290 T CB 2.329 71.215 68.868 0.029 0.000 1.022 290 T HN -0.157 nan 8.240 nan 0.000 0.466 291 P HA 0.306 nan 4.420 nan 0.000 0.274 291 P C -0.413 176.943 177.300 0.092 0.000 1.231 291 P CA -0.681 62.470 63.100 0.085 0.000 0.790 291 P CB 0.575 32.317 31.700 0.070 0.000 0.951 292 I N 3.026 123.680 120.570 0.141 0.000 2.452 292 I HA 0.014 4.184 4.170 -0.000 0.000 0.287 292 I C 1.332 177.459 176.117 0.018 0.000 1.079 292 I CA 0.385 61.743 61.300 0.098 0.000 1.387 292 I CB -0.033 38.061 38.000 0.156 0.000 1.404 292 I HN 0.332 nan 8.210 nan 0.000 0.522 293 D N 5.019 125.440 120.400 0.035 0.000 2.240 293 D HA -0.070 4.570 4.640 -0.000 0.000 0.206 293 D C 0.057 176.402 176.300 0.075 0.000 0.963 293 D CA 1.288 55.312 54.000 0.040 0.000 0.863 293 D CB 0.443 41.276 40.800 0.056 0.000 0.973 293 D HN 0.518 nan 8.370 nan 0.000 0.501 294 Y N 0.306 120.565 120.300 -0.068 0.000 2.504 294 Y HA 0.493 5.043 4.550 -0.000 0.000 0.344 294 Y C -1.985 173.871 175.900 -0.072 0.000 1.023 294 Y CA -1.185 56.866 58.100 -0.082 0.000 1.020 294 Y CB 1.514 39.926 38.460 -0.080 0.000 1.282 294 Y HN -0.233 nan 8.280 nan 0.000 0.454 295 L N 6.731 127.306 121.223 -1.079 0.000 2.372 295 L HA 0.489 4.829 4.340 -0.000 0.000 0.274 295 L C -1.280 174.968 176.870 -1.037 0.000 0.988 295 L CA -0.546 53.810 54.840 -0.806 0.000 0.833 295 L CB 1.103 42.910 42.059 -0.419 0.000 1.236 295 L HN 0.792 nan 8.230 nan 0.000 0.410 296 N N 3.634 121.914 118.700 -0.699 0.000 2.521 296 N HA 0.126 4.866 4.740 -0.000 0.000 0.236 296 N C -0.322 175.114 175.510 -0.123 0.000 1.067 296 N CA -0.172 52.718 53.050 -0.267 0.000 0.939 296 N CB 0.926 39.434 38.487 0.035 0.000 1.201 296 N HN 0.729 nan 8.380 nan 0.000 0.511 297 S N 2.452 118.117 115.700 -0.057 0.000 2.589 297 S HA -0.022 4.448 4.470 -0.000 0.000 0.265 297 S C 1.363 175.969 174.600 0.010 0.000 1.342 297 S CA -0.169 58.047 58.200 0.027 0.000 1.005 297 S CB 1.027 64.327 63.200 0.166 0.000 0.909 297 S HN 0.724 nan 8.310 nan 0.000 0.555 298 H N 1.910 120.916 119.070 -0.107 0.000 2.357 298 H HA 0.128 4.684 4.556 -0.000 0.000 0.301 298 H C 1.585 176.840 175.328 -0.122 0.000 1.082 298 H CA 1.322 57.264 56.048 -0.176 0.000 1.342 298 H CB -1.108 28.524 29.762 -0.217 0.000 1.389 298 H HN 1.035 nan 8.280 nan 0.000 0.511 299 G N 0.919 109.664 108.800 -0.092 0.000 2.330 299 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.267 299 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.267 299 G C 0.922 175.590 174.900 -0.388 0.000 0.358 299 G CA 1.011 45.956 45.100 -0.258 0.000 1.074 299 G HN 0.765 nan 8.290 nan 0.000 0.466 300 T N -1.324 112.954 114.554 -0.461 0.000 3.107 300 T HA 0.413 4.763 4.350 -0.000 0.000 0.249 300 T C 1.220 175.824 174.700 -0.160 0.000 1.096 300 T CA 0.880 62.718 62.100 -0.437 0.000 1.012 300 T CB 0.317 68.719 68.868 -0.776 0.000 0.977 300 T HN 1.746 nan 8.240 nan 0.000 0.527 301 S N 0.849 116.445 115.700 -0.174 0.000 3.807 301 S HA -0.132 4.338 4.470 -0.000 0.000 0.304 301 S C 0.194 174.798 174.600 0.006 0.000 1.152 301 S CA 0.529 58.669 58.200 -0.100 0.000 0.852 301 S CB -2.129 61.035 63.200 -0.060 0.000 0.924 301 S HN 1.247 nan 8.310 nan 0.000 0.545 302 T N -0.863 113.705 114.554 0.023 0.000 2.859 302 T HA 0.681 5.031 4.350 -0.000 0.000 0.281 302 T C -1.417 173.330 174.700 0.079 0.000 1.005 302 T CA -1.666 60.491 62.100 0.095 0.000 1.025 302 T CB 1.700 70.661 68.868 0.155 0.000 0.977 302 T HN -0.046 nan 8.240 nan 0.000 0.458 303 P HA -0.147 nan 4.420 nan 0.000 0.215 303 P C 1.548 178.896 177.300 0.081 0.000 1.163 303 P CA 0.806 63.952 63.100 0.076 0.000 0.894 303 P CB 0.022 31.763 31.700 0.069 0.000 0.791 304 V N -0.954 119.014 119.914 0.089 0.000 2.500 304 V HA 0.005 4.125 4.120 -0.000 0.000 0.243 304 V C 2.566 178.720 176.094 0.101 0.000 1.039 304 V CA 2.066 64.418 62.300 0.086 0.000 1.053 304 V CB -1.846 30.025 31.823 0.079 0.000 0.695 304 V HN 0.140 nan 8.190 nan 0.000 0.463 305 G N 0.333 109.207 108.800 0.123 0.000 2.491 305 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.218 305 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.218 305 G C 1.165 176.156 174.900 0.153 0.000 1.180 305 G CA 1.375 46.564 45.100 0.150 0.000 0.774 305 G HN 0.484 nan 8.290 nan 0.000 0.562 306 D N 0.057 120.526 120.400 0.115 0.000 2.126 306 D HA -0.126 4.514 4.640 -0.000 0.000 0.190 306 D C 2.740 179.183 176.300 0.238 0.000 1.001 306 D CA 1.238 55.315 54.000 0.128 0.000 0.841 306 D CB -0.658 40.160 40.800 0.029 0.000 0.949 306 D HN 0.204 nan 8.370 nan 0.000 0.446 307 V N 0.211 120.233 119.914 0.180 0.000 2.427 307 V HA -0.195 3.925 4.120 -0.000 0.000 0.248 307 V C 2.254 178.418 176.094 0.115 0.000 1.051 307 V CA 1.277 63.668 62.300 0.151 0.000 1.048 307 V CB -0.357 31.530 31.823 0.108 0.000 0.666 307 V HN 0.063 nan 8.190 nan 0.000 0.456 308 K N 0.751 121.210 120.400 0.099 0.000 2.057 308 K HA -0.210 4.110 4.320 -0.000 0.000 0.207 308 K C 2.158 178.793 176.600 0.059 0.000 1.049 308 K CA 1.871 58.193 56.287 0.058 0.000 0.931 308 K CB -0.315 32.206 32.500 0.035 0.000 0.714 308 K HN 0.603 nan 8.250 nan 0.000 0.440 309 E N -0.081 120.192 120.200 0.122 0.000 2.072 309 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 309 E C 1.854 178.552 176.600 0.163 0.000 0.985 309 E CA 1.007 57.510 56.400 0.171 0.000 0.801 309 E CB -0.074 29.830 29.700 0.340 0.000 0.750 309 E HN 0.267 nan 8.360 nan 0.000 0.452 310 L N 0.487 121.806 121.223 0.161 0.000 2.083 310 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 310 L C 2.713 179.628 176.870 0.074 0.000 1.083 310 L CA 1.064 55.963 54.840 0.099 0.000 0.752 310 L CB -0.564 41.533 42.059 0.063 0.000 0.899 310 L HN 0.240 nan 8.230 nan 0.000 0.433 311 A N 0.097 122.957 122.820 0.067 0.000 1.933 311 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 311 A C 2.537 180.150 177.584 0.047 0.000 1.175 311 A CA 1.692 53.757 52.037 0.046 0.000 0.628 311 A CB -0.594 18.426 19.000 0.033 0.000 0.814 311 A HN 0.403 nan 8.150 nan 0.000 0.444 312 A N -0.132 122.717 122.820 0.048 0.000 1.930 312 A HA -0.027 4.293 4.320 -0.000 0.000 0.217 312 A C 2.099 179.742 177.584 0.099 0.000 1.175 312 A CA 1.395 53.456 52.037 0.040 0.000 0.627 312 A CB -0.551 18.452 19.000 0.005 0.000 0.815 312 A HN 0.491 nan 8.150 nan 0.000 0.443 313 I N -0.798 119.864 120.570 0.154 0.000 2.226 313 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 313 I C 2.736 179.016 176.117 0.272 0.000 1.100 313 I CA 1.251 62.711 61.300 0.268 0.000 1.374 313 I CB -0.338 37.772 38.000 0.183 0.000 1.057 313 I HN 0.291 nan 8.210 nan 0.000 0.413 314 R N 0.355 120.940 120.500 0.142 0.000 2.096 314 R HA -0.219 4.121 4.340 -0.000 0.000 0.235 314 R C 2.197 178.554 176.300 0.094 0.000 1.127 314 R CA 1.489 57.655 56.100 0.110 0.000 0.968 314 R CB -0.315 30.020 30.300 0.058 0.000 0.861 314 R HN 0.285 nan 8.270 nan 0.000 0.440 315 E N 0.647 120.885 120.200 0.064 0.000 2.106 315 E HA -0.103 4.247 4.350 -0.000 0.000 0.192 315 E C 1.777 178.370 176.600 -0.012 0.000 0.984 315 E CA 0.990 57.403 56.400 0.022 0.000 0.806 315 E CB 0.076 29.779 29.700 0.005 0.000 0.750 315 E HN 0.039 nan 8.360 nan 0.000 0.458 316 V N -0.324 119.572 119.914 -0.030 0.000 2.346 316 V HA -0.116 4.004 4.120 -0.000 0.000 0.244 316 V C 1.724 177.619 176.094 -0.331 0.000 1.037 316 V CA 1.698 63.862 62.300 -0.226 0.000 1.029 316 V CB -0.462 31.130 31.823 -0.385 0.000 0.663 316 V HN 0.246 nan 8.190 nan 0.000 0.454 317 F N -0.075 119.874 119.950 -0.001 0.000 2.656 317 F HA 0.487 5.014 4.527 0.000 0.000 0.291 317 F C 1.867 177.664 175.800 -0.005 0.000 1.122 317 F CA 0.694 58.692 58.000 -0.004 0.000 1.427 317 F CB -0.570 38.425 39.000 -0.007 0.000 1.125 317 F HN 0.276 nan 8.300 nan 0.000 0.583 318 G N 0.995 109.890 108.800 0.159 0.000 2.565 318 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.295 318 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.295 318 G C 0.651 175.603 174.900 0.087 0.000 1.165 318 G CA 0.729 45.883 45.100 0.090 0.000 0.977 318 G HN 0.236 nan 8.290 nan 0.000 0.546 319 D N 1.257 121.696 120.400 0.065 0.000 2.348 319 D HA 0.140 4.780 4.640 -0.000 0.000 0.211 319 D C 1.457 177.787 176.300 0.050 0.000 0.998 319 D CA 0.595 54.622 54.000 0.045 0.000 0.873 319 D CB 0.157 40.975 40.800 0.030 0.000 0.925 319 D HN 0.235 nan 8.370 nan 0.000 0.524 320 K N 1.278 121.731 120.400 0.088 0.000 3.101 320 K HA 0.159 4.479 4.320 -0.000 0.000 0.229 320 K C -0.087 176.571 176.600 0.095 0.000 1.232 320 K CA -0.147 56.193 56.287 0.089 0.000 1.210 320 K CB 0.158 32.724 32.500 0.111 0.000 1.284 320 K HN 0.030 nan 8.250 nan 0.000 0.448 321 S N 1.452 117.158 115.700 0.010 0.000 2.549 321 S HA 0.347 4.817 4.470 -0.000 0.000 0.279 321 S C -1.672 172.755 174.600 -0.288 0.000 1.321 321 S CA -0.992 57.094 58.200 -0.190 0.000 1.054 321 S CB 0.677 63.802 63.200 -0.126 0.000 0.899 321 S HN 0.160 nan 8.310 nan 0.000 0.497 322 P HA 0.355 nan 4.420 nan 0.000 0.277 322 P C -0.504 176.658 177.300 -0.231 0.000 1.271 322 P CA -0.639 62.254 63.100 -0.344 0.000 0.795 322 P CB 0.459 31.883 31.700 -0.461 0.000 1.101 323 A N 0.749 123.505 122.820 -0.107 0.000 2.477 323 A HA 0.442 4.762 4.320 -0.000 0.000 0.246 323 A C 0.291 177.844 177.584 -0.051 0.000 1.078 323 A CA -0.095 51.931 52.037 -0.018 0.000 0.770 323 A CB -0.749 18.308 19.000 0.096 0.000 1.011 323 A HN 0.445 nan 8.150 nan 0.000 0.494 324 I N 1.648 122.190 120.570 -0.046 0.000 2.608 324 I HA 0.546 4.716 4.170 -0.000 0.000 0.295 324 I C 0.017 176.181 176.117 0.078 0.000 1.049 324 I CA -0.285 60.962 61.300 -0.087 0.000 1.063 324 I CB 2.525 40.434 38.000 -0.152 0.000 1.248 324 I HN 0.760 nan 8.210 nan 0.000 0.424 325 S N 3.694 119.492 115.700 0.163 0.000 2.533 325 S HA 0.820 5.290 4.470 -0.000 0.000 0.271 325 S C -1.063 173.675 174.600 0.229 0.000 1.143 325 S CA -0.785 57.567 58.200 0.252 0.000 0.891 325 S CB 1.966 65.343 63.200 0.295 0.000 1.105 325 S HN 0.795 nan 8.310 nan 0.000 0.468 326 A N 2.378 125.324 122.820 0.210 0.000 2.322 326 A HA 0.590 4.910 4.320 -0.000 0.000 0.327 326 A C 1.216 178.823 177.584 0.038 0.000 1.394 326 A CA -0.205 51.884 52.037 0.086 0.000 0.921 326 A CB -0.220 18.743 19.000 -0.062 0.000 1.153 326 A HN 1.367 nan 8.150 nan 0.000 0.523 327 T N -0.186 114.401 114.554 0.054 0.000 2.977 327 T HA -0.104 4.246 4.350 -0.000 0.000 0.271 327 T C 1.736 176.413 174.700 -0.037 0.000 1.105 327 T CA 1.402 63.494 62.100 -0.014 0.000 1.116 327 T CB -0.267 68.582 68.868 -0.032 0.000 0.878 327 T HN 0.860 nan 8.240 nan 0.000 0.509 328 A N 1.678 124.487 122.820 -0.020 0.000 2.024 328 A HA 0.280 4.599 4.320 -0.000 0.000 0.220 328 A C 2.750 180.311 177.584 -0.039 0.000 1.164 328 A CA 1.542 53.563 52.037 -0.027 0.000 0.643 328 A CB -1.227 17.721 19.000 -0.086 0.000 0.806 328 A HN 0.732 nan 8.150 nan 0.000 0.451 329 A N -0.850 121.936 122.820 -0.058 0.000 2.019 329 A HA -0.060 4.260 4.320 -0.000 0.000 0.219 329 A C 2.163 179.722 177.584 -0.042 0.000 1.164 329 A CA 1.765 53.769 52.037 -0.056 0.000 0.644 329 A CB -0.399 18.570 19.000 -0.051 0.000 0.805 329 A HN 0.571 nan 8.150 nan 0.000 0.449 330 M N -1.451 118.119 119.600 -0.050 0.000 2.557 330 M HA -0.024 4.456 4.480 -0.000 0.000 0.262 330 M C 2.317 178.588 176.300 -0.049 0.000 1.168 330 M CA 1.623 56.888 55.300 -0.057 0.000 1.194 330 M CB -0.120 32.423 32.600 -0.096 0.000 1.311 330 M HN 0.554 nan 8.290 nan 0.000 0.489 331 T N -2.066 112.454 114.554 -0.057 0.000 3.051 331 T HA 0.424 4.774 4.350 -0.000 0.000 0.255 331 T C 1.054 175.767 174.700 0.021 0.000 1.085 331 T CA 0.490 62.575 62.100 -0.025 0.000 1.109 331 T CB -0.095 68.770 68.868 -0.006 0.000 0.921 331 T HN 0.562 nan 8.240 nan 0.000 0.488 332 G N 0.926 109.749 108.800 0.038 0.000 2.728 332 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.294 332 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.294 332 G C -0.872 174.089 174.900 0.103 0.000 1.342 332 G CA -0.333 44.820 45.100 0.089 0.000 0.866 332 G HN 0.903 nan 8.290 nan 0.000 0.534 333 H N 0.117 119.188 119.070 0.002 0.000 2.581 333 H HA 0.618 5.174 4.556 -0.000 0.000 0.308 333 H C 1.471 176.717 175.328 -0.137 0.000 1.040 333 H CA 0.361 56.315 56.048 -0.156 0.000 1.231 333 H CB 0.902 30.406 29.762 -0.429 0.000 1.396 333 H HN 0.877 nan 8.280 nan 0.000 0.467 334 S N 4.915 120.372 115.700 -0.404 0.000 2.710 334 S HA 0.119 4.589 4.470 -0.000 0.000 0.224 334 S C 1.131 175.449 174.600 -0.470 0.000 0.948 334 S CA 0.070 58.067 58.200 -0.339 0.000 0.949 334 S CB -0.831 62.248 63.200 -0.202 0.000 0.778 334 S HN 0.770 nan 8.310 nan 0.000 0.498 335 L N -0.078 120.577 121.223 -0.945 0.000 5.154 335 L HA -0.359 3.981 4.340 -0.000 0.000 0.053 335 L C 2.295 178.962 176.870 -0.338 0.000 3.137 335 L CA 1.506 55.938 54.840 -0.680 0.000 1.466 335 L CB -2.015 39.841 42.059 -0.340 0.000 2.980 335 L HN 0.433 nan 8.230 nan 0.000 0.938 336 G N -1.184 107.521 108.800 -0.158 0.000 2.448 336 G HA2 0.023 3.983 3.960 -0.000 0.000 0.219 336 G HA3 0.023 3.983 3.960 -0.000 0.000 0.219 336 G C 1.288 176.137 174.900 -0.085 0.000 1.127 336 G CA 1.296 46.353 45.100 -0.071 0.000 0.766 336 G HN 0.857 nan 8.290 nan 0.000 0.552 337 A N 0.444 123.193 122.820 -0.119 0.000 2.178 337 A HA 0.616 4.936 4.320 -0.000 0.000 0.211 337 A C 2.595 180.085 177.584 -0.157 0.000 1.157 337 A CA 1.324 53.293 52.037 -0.115 0.000 0.780 337 A CB -0.266 18.675 19.000 -0.098 0.000 0.828 337 A HN 0.552 nan 8.150 nan 0.000 0.476 338 A N 0.142 122.844 122.820 -0.196 0.000 1.908 338 A HA 0.055 4.375 4.320 -0.000 0.000 0.218 338 A C 2.349 179.854 177.584 -0.132 0.000 1.181 338 A CA 1.972 53.908 52.037 -0.169 0.000 0.627 338 A CB -1.321 17.565 19.000 -0.191 0.000 0.818 338 A HN 0.674 nan 8.150 nan 0.000 0.445 339 G N -0.889 107.840 108.800 -0.117 0.000 2.459 339 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.217 339 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.217 339 G C 1.663 176.471 174.900 -0.152 0.000 1.183 339 G CA 1.374 46.401 45.100 -0.121 0.000 0.776 339 G HN 0.620 nan 8.290 nan 0.000 0.552 340 V N 0.137 119.956 119.914 -0.158 0.000 2.453 340 V HA -0.106 4.014 4.120 -0.000 0.000 0.247 340 V C 2.740 178.667 176.094 -0.279 0.000 1.048 340 V CA 2.453 64.642 62.300 -0.184 0.000 1.049 340 V CB -0.241 31.493 31.823 -0.148 0.000 0.672 340 V HN 0.515 nan 8.190 nan 0.000 0.457 341 Q N -0.441 119.157 119.800 -0.336 0.000 2.084 341 Q HA -0.255 4.085 4.340 -0.000 0.000 0.202 341 Q C 2.183 177.590 176.000 -0.989 0.000 0.978 341 Q CA 2.135 57.567 55.803 -0.618 0.000 0.844 341 Q CB -0.132 28.312 28.738 -0.491 0.000 0.898 341 Q HN 0.699 nan 8.270 nan 0.000 0.426 342 E N 0.318 120.208 120.200 -0.516 0.000 2.208 342 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 342 E C 1.831 178.330 176.600 -0.169 0.000 0.988 342 E CA 0.772 57.024 56.400 -0.248 0.000 0.828 342 E CB -0.001 29.682 29.700 -0.029 0.000 0.763 342 E HN 0.345 nan 8.360 nan 0.000 0.478 343 A N 0.693 123.393 122.820 -0.201 0.000 1.930 343 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 343 A C 2.099 179.588 177.584 -0.158 0.000 1.175 343 A CA 0.888 52.843 52.037 -0.137 0.000 0.627 343 A CB -0.392 18.523 19.000 -0.142 0.000 0.815 343 A HN 0.158 nan 8.150 nan 0.000 0.443 344 I N -1.498 118.912 120.570 -0.268 0.000 2.252 344 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 344 I C 2.284 178.340 176.117 -0.102 0.000 1.102 344 I CA 1.149 62.302 61.300 -0.246 0.000 1.385 344 I CB -0.415 37.399 38.000 -0.309 0.000 1.064 344 I HN 0.372 nan 8.210 nan 0.000 0.414 345 Y N 0.848 121.124 120.300 -0.041 0.000 2.165 345 Y HA -0.219 4.331 4.550 -0.000 0.000 0.286 345 Y C 2.942 178.815 175.900 -0.044 0.000 1.155 345 Y CA 0.942 59.029 58.100 -0.023 0.000 1.164 345 Y CB -1.402 37.054 38.460 -0.007 0.000 0.978 345 Y HN 0.106 nan 8.280 nan 0.000 0.513 346 S N 0.061 115.840 115.700 0.132 0.000 2.368 346 S HA -0.138 4.332 4.470 -0.000 0.000 0.225 346 S C 2.164 176.780 174.600 0.026 0.000 1.030 346 S CA 1.130 59.394 58.200 0.106 0.000 0.999 346 S CB -0.623 62.663 63.200 0.143 0.000 0.844 346 S HN 0.356 nan 8.310 nan 0.000 0.459 347 L N 0.932 122.155 121.223 -0.001 0.000 2.093 347 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 347 L C 2.168 179.072 176.870 0.058 0.000 1.085 347 L CA 0.910 55.744 54.840 -0.011 0.000 0.755 347 L CB -0.486 41.492 42.059 -0.136 0.000 0.904 347 L HN 0.291 nan 8.230 nan 0.000 0.435 348 L N -1.162 120.115 121.223 0.091 0.000 2.093 348 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 348 L C 2.602 179.625 176.870 0.256 0.000 1.085 348 L CA 1.183 56.191 54.840 0.280 0.000 0.755 348 L CB -0.304 41.934 42.059 0.299 0.000 0.904 348 L HN 0.314 nan 8.230 nan 0.000 0.435 349 M N -0.919 118.620 119.600 -0.103 0.000 2.132 349 M HA -0.210 4.270 4.480 -0.000 0.000 0.263 349 M C 2.283 178.467 176.300 -0.193 0.000 1.065 349 M CA 1.519 56.492 55.300 -0.544 0.000 1.122 349 M CB -0.273 31.828 32.600 -0.832 0.000 1.365 349 M HN 0.208 nan 8.290 nan 0.000 0.411 350 L N 0.625 121.807 121.223 -0.069 0.000 2.056 350 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 350 L C 2.236 179.129 176.870 0.039 0.000 1.078 350 L CA 1.999 56.837 54.840 -0.003 0.000 0.749 350 L CB -0.585 41.490 42.059 0.028 0.000 0.901 350 L HN 0.213 nan 8.230 nan 0.000 0.433 351 E N -1.177 119.070 120.200 0.077 0.000 2.072 351 E HA -0.208 4.142 4.350 -0.000 0.000 0.191 351 E C 1.723 178.250 176.600 -0.121 0.000 0.985 351 E CA 1.528 57.934 56.400 0.011 0.000 0.801 351 E CB -0.128 29.629 29.700 0.095 0.000 0.750 351 E HN 0.629 nan 8.360 nan 0.000 0.452 352 H N -1.102 118.091 119.070 0.205 0.000 2.529 352 H HA 0.264 4.820 4.556 0.000 0.000 0.277 352 H C 0.492 175.978 175.328 0.263 0.000 1.004 352 H CA 0.489 56.683 56.048 0.244 0.000 1.167 352 H CB 0.388 30.348 29.762 0.330 0.000 1.445 352 H HN 0.282 nan 8.280 nan 0.000 0.554 353 G N 2.100 111.040 108.800 0.232 0.000 2.370 353 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.293 353 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.293 353 G C -0.228 174.815 174.900 0.239 0.000 0.992 353 G CA 0.888 46.082 45.100 0.156 0.000 1.247 353 G HN 0.537 nan 8.290 nan 0.000 0.505 354 F N -1.602 118.337 119.950 -0.018 0.000 2.741 354 F HA 0.789 5.316 4.527 -0.000 0.000 0.311 354 F C -0.982 174.726 175.800 -0.153 0.000 1.149 354 F CA -2.209 55.756 58.000 -0.058 0.000 0.930 354 F CB 1.116 40.095 39.000 -0.035 0.000 1.312 354 F HN 0.074 nan 8.300 nan 0.000 0.450 355 I N 2.826 123.240 120.570 -0.260 0.000 2.389 355 I HA 0.625 4.795 4.170 -0.000 0.000 0.288 355 I C 0.081 176.079 176.117 -0.198 0.000 0.999 355 I CA -1.138 59.860 61.300 -0.503 0.000 1.129 355 I CB 1.714 39.543 38.000 -0.285 0.000 1.288 355 I HN 0.963 nan 8.210 nan 0.000 0.444 356 A N 9.154 131.775 122.820 -0.332 0.000 2.440 356 A HA 0.474 4.794 4.320 -0.000 0.000 0.251 356 A C -2.314 175.282 177.584 0.021 0.000 1.089 356 A CA -1.065 50.979 52.037 0.012 0.000 0.779 356 A CB -0.341 18.637 19.000 -0.036 0.000 1.022 356 A HN 0.432 nan 8.150 nan 0.000 0.492 357 P HA 0.102 nan 4.420 nan 0.000 0.275 357 P C -0.305 177.029 177.300 0.055 0.000 1.228 357 P CA -0.162 62.969 63.100 0.052 0.000 0.786 357 P CB 1.146 32.870 31.700 0.040 0.000 0.927 358 S N 2.789 118.536 115.700 0.079 0.000 2.464 358 S HA 0.344 4.814 4.470 -0.000 0.000 0.313 358 S C 0.692 175.331 174.600 0.066 0.000 1.078 358 S CA -0.835 57.424 58.200 0.098 0.000 1.096 358 S CB -1.413 61.897 63.200 0.184 0.000 1.032 358 S HN 0.337 nan 8.310 nan 0.000 0.498 359 I N 1.784 122.371 120.570 0.028 0.000 3.211 359 I HA 0.424 4.594 4.170 -0.000 0.000 0.297 359 I C 0.444 176.559 176.117 -0.003 0.000 1.095 359 I CA -0.553 60.753 61.300 0.009 0.000 1.239 359 I CB 0.220 38.215 38.000 -0.009 0.000 1.455 359 I HN 0.487 nan 8.210 nan 0.000 0.630 360 N N 0.942 119.632 118.700 -0.017 0.000 2.714 360 N HA -0.181 4.559 4.740 -0.000 0.000 0.250 360 N C -0.514 174.983 175.510 -0.023 0.000 1.117 360 N CA 0.943 53.969 53.050 -0.040 0.000 0.719 360 N CB -1.436 37.001 38.487 -0.084 0.000 1.081 360 N HN 0.598 nan 8.380 nan 0.000 0.557 361 I N 1.133 121.711 120.570 0.013 0.000 2.257 361 I HA 0.046 4.216 4.170 -0.000 0.000 0.290 361 I C 1.415 177.546 176.117 0.024 0.000 1.137 361 I CA -0.105 61.219 61.300 0.041 0.000 1.255 361 I CB 0.223 38.271 38.000 0.080 0.000 1.485 361 I HN 0.030 nan 8.210 nan 0.000 0.534 362 E N 3.290 123.491 120.200 0.002 0.000 2.216 362 E HA -0.063 4.287 4.350 -0.000 0.000 0.192 362 E C 0.570 177.171 176.600 0.003 0.000 0.988 362 E CA 0.713 57.104 56.400 -0.015 0.000 0.834 362 E CB 0.408 30.073 29.700 -0.058 0.000 0.772 362 E HN 0.507 nan 8.360 nan 0.000 0.479 363 E N 1.074 121.296 120.200 0.037 0.000 2.528 363 E HA 0.122 4.472 4.350 -0.000 0.000 0.277 363 E C -1.399 175.262 176.600 0.101 0.000 0.980 363 E CA -0.511 55.932 56.400 0.071 0.000 0.796 363 E CB 0.896 30.660 29.700 0.107 0.000 1.427 363 E HN -0.061 nan 8.360 nan 0.000 0.394 364 L N 3.851 125.121 121.223 0.079 0.000 2.540 364 L HA 0.046 4.386 4.340 -0.000 0.000 0.276 364 L C 0.228 177.152 176.870 0.089 0.000 1.212 364 L CA 0.763 55.653 54.840 0.084 0.000 0.893 364 L CB 0.519 42.606 42.059 0.047 0.000 1.138 364 L HN 0.541 nan 8.230 nan 0.000 0.491 365 D N 3.687 124.153 120.400 0.110 0.000 2.455 365 D HA -0.059 4.581 4.640 -0.000 0.000 0.241 365 D C 0.745 177.083 176.300 0.064 0.000 1.138 365 D CA 0.151 54.210 54.000 0.098 0.000 0.877 365 D CB 0.859 41.736 40.800 0.127 0.000 1.187 365 D HN 0.703 nan 8.370 nan 0.000 0.451 366 E N 1.814 122.046 120.200 0.053 0.000 2.267 366 E HA -0.214 4.136 4.350 -0.000 0.000 0.197 366 E C 0.862 177.480 176.600 0.030 0.000 0.998 366 E CA 0.816 57.238 56.400 0.037 0.000 0.830 366 E CB 0.126 29.846 29.700 0.033 0.000 0.751 366 E HN 0.555 nan 8.360 nan 0.000 0.491 367 Q N -0.576 119.248 119.800 0.040 0.000 2.228 367 Q HA 0.235 4.575 4.340 -0.000 0.000 0.211 367 Q C 0.283 176.296 176.000 0.022 0.000 0.890 367 Q CA -0.094 55.730 55.803 0.035 0.000 0.953 367 Q CB 0.947 29.715 28.738 0.049 0.000 1.053 367 Q HN 0.079 nan 8.270 nan 0.000 0.471 368 A N -0.258 122.564 122.820 0.002 0.000 2.674 368 A HA 0.606 4.926 4.320 -0.000 0.000 0.286 368 A C 0.968 178.519 177.584 -0.055 0.000 0.980 368 A CA 0.102 52.104 52.037 -0.058 0.000 1.028 368 A CB 0.140 19.083 19.000 -0.094 0.000 1.199 368 A HN 0.310 nan 8.150 nan 0.000 0.499 369 A N 0.453 123.258 122.820 -0.026 0.000 1.881 369 A HA 0.312 4.632 4.320 -0.000 0.000 0.208 369 A C 1.805 179.372 177.584 -0.028 0.000 1.264 369 A CA 1.265 53.290 52.037 -0.018 0.000 0.629 369 A CB -1.291 17.706 19.000 -0.004 0.000 0.906 369 A HN 1.241 nan 8.150 nan 0.000 0.476 370 G N -0.034 108.753 108.800 -0.021 0.000 3.180 370 G HA2 0.439 4.399 3.960 -0.000 0.000 0.252 370 G HA3 0.439 4.399 3.960 -0.000 0.000 0.252 370 G C -0.267 174.611 174.900 -0.036 0.000 0.871 370 G CA -0.026 45.061 45.100 -0.022 0.000 1.979 370 G HN 0.297 nan 8.290 nan 0.000 0.624 371 L N -0.307 120.881 121.223 -0.059 0.000 2.371 371 L HA 0.374 4.714 4.340 -0.000 0.000 0.262 371 L C -0.459 176.356 176.870 -0.090 0.000 1.006 371 L CA -1.277 53.511 54.840 -0.087 0.000 0.818 371 L CB 2.402 44.383 42.059 -0.129 0.000 1.354 371 L HN 0.069 nan 8.230 nan 0.000 0.415 372 N N 2.176 120.818 118.700 -0.096 0.000 3.083 372 N HA 0.335 5.075 4.740 -0.000 0.000 0.260 372 N C -0.937 174.526 175.510 -0.078 0.000 1.163 372 N CA -0.161 52.846 53.050 -0.073 0.000 1.060 372 N CB -0.035 38.417 38.487 -0.058 0.000 1.345 372 N HN 0.424 nan 8.380 nan 0.000 0.515 373 I N 2.465 122.979 120.570 -0.095 0.000 2.308 373 I HA 0.122 4.292 4.170 -0.000 0.000 0.293 373 I C 0.012 176.122 176.117 -0.012 0.000 1.078 373 I CA -0.837 60.410 61.300 -0.089 0.000 1.292 373 I CB 0.875 38.766 38.000 -0.180 0.000 1.423 373 I HN 0.026 nan 8.210 nan 0.000 0.493 374 V N 6.078 126.011 119.914 0.032 0.000 2.479 374 V HA 0.010 4.130 4.120 -0.000 0.000 0.281 374 V C 1.318 177.446 176.094 0.056 0.000 1.031 374 V CA 0.269 62.597 62.300 0.047 0.000 1.038 374 V CB 0.801 32.663 31.823 0.065 0.000 0.981 374 V HN 0.902 nan 8.190 nan 0.000 0.478 375 T N 0.579 115.157 114.554 0.041 0.000 3.085 375 T HA 0.281 4.631 4.350 -0.000 0.000 0.264 375 T C 0.167 174.887 174.700 0.032 0.000 1.019 375 T CA -0.235 61.890 62.100 0.042 0.000 0.910 375 T CB -0.174 68.715 68.868 0.035 0.000 1.059 375 T HN 0.826 nan 8.240 nan 0.000 0.542 376 E N 0.349 120.568 120.200 0.032 0.000 2.308 376 E HA 0.402 4.752 4.350 -0.000 0.000 0.275 376 E C -1.419 175.205 176.600 0.040 0.000 0.890 376 E CA -1.047 55.370 56.400 0.028 0.000 0.754 376 E CB 1.032 30.743 29.700 0.019 0.000 1.207 376 E HN -0.095 nan 8.360 nan 0.000 0.426 377 T N 2.783 117.363 114.554 0.044 0.000 2.822 377 T HA 0.080 4.430 4.350 -0.000 0.000 0.288 377 T C -0.398 174.347 174.700 0.075 0.000 0.991 377 T CA 0.509 62.658 62.100 0.082 0.000 1.176 377 T CB 0.037 68.929 68.868 0.040 0.000 0.951 377 T HN 0.445 nan 8.240 nan 0.000 0.526 378 T N 4.293 118.909 114.554 0.103 0.000 2.840 378 T HA 0.231 4.581 4.350 -0.000 0.000 0.287 378 T C -0.335 174.429 174.700 0.106 0.000 0.991 378 T CA -0.950 61.194 62.100 0.073 0.000 0.964 378 T CB 1.125 70.018 68.868 0.042 0.000 0.954 378 T HN 0.459 nan 8.240 nan 0.000 0.438 379 D N 3.035 123.488 120.400 0.089 0.000 2.390 379 D HA 0.323 4.963 4.640 -0.000 0.000 0.249 379 D C 0.347 176.688 176.300 0.069 0.000 1.144 379 D CA 0.204 54.266 54.000 0.104 0.000 0.880 379 D CB 1.157 41.997 40.800 0.067 0.000 1.182 379 D HN 0.406 nan 8.370 nan 0.000 0.451 380 R N 1.401 121.943 120.500 0.070 0.000 2.604 380 R HA 0.077 4.417 4.340 -0.000 0.000 0.261 380 R C -1.190 175.131 176.300 0.035 0.000 1.080 380 R CA -0.578 55.544 56.100 0.038 0.000 0.917 380 R CB 1.291 31.602 30.300 0.018 0.000 1.252 380 R HN 0.246 nan 8.270 nan 0.000 0.456 381 E N 4.828 125.045 120.200 0.030 0.000 1.791 381 E HA 0.119 4.469 4.350 -0.000 0.000 0.263 381 E C -0.271 176.341 176.600 0.021 0.000 1.213 381 E CA -0.036 56.380 56.400 0.027 0.000 0.991 381 E CB 0.337 30.051 29.700 0.024 0.000 1.068 381 E HN 0.295 nan 8.360 nan 0.000 0.417 382 L N 1.528 122.760 121.223 0.014 0.000 2.417 382 L HA 0.134 4.474 4.340 -0.000 0.000 0.268 382 L C 1.200 178.084 176.870 0.023 0.000 1.158 382 L CA 0.051 54.901 54.840 0.016 0.000 0.819 382 L CB 0.916 42.973 42.059 -0.002 0.000 1.112 382 L HN 0.416 nan 8.230 nan 0.000 0.458 383 T N -1.203 113.370 114.554 0.031 0.000 3.075 383 T HA 0.081 4.431 4.350 -0.000 0.000 0.251 383 T C 0.288 175.009 174.700 0.036 0.000 0.979 383 T CA 0.277 62.394 62.100 0.028 0.000 1.033 383 T CB 0.662 69.545 68.868 0.025 0.000 1.104 383 T HN 0.610 nan 8.240 nan 0.000 0.473 384 T N 2.968 117.550 114.554 0.046 0.000 2.841 384 T HA 0.683 5.033 4.350 -0.000 0.000 0.285 384 T C -0.731 174.012 174.700 0.071 0.000 0.991 384 T CA -0.696 61.436 62.100 0.054 0.000 0.966 384 T CB 2.009 70.910 68.868 0.055 0.000 0.962 384 T HN 0.217 nan 8.240 nan 0.000 0.438 385 V N 1.049 121.008 119.914 0.075 0.000 2.914 385 V HA 0.864 4.984 4.120 -0.000 0.000 0.314 385 V C -0.656 175.469 176.094 0.052 0.000 1.084 385 V CA -1.229 61.128 62.300 0.095 0.000 0.963 385 V CB 2.165 34.088 31.823 0.165 0.000 1.025 385 V HN 0.975 nan 8.190 nan 0.000 0.432 386 M N 2.873 122.471 119.600 -0.002 0.000 2.457 386 M HA 0.748 5.228 4.480 -0.000 0.000 0.300 386 M C -1.044 175.216 176.300 -0.066 0.000 1.141 386 M CA -0.269 55.027 55.300 -0.007 0.000 0.901 386 M CB 2.213 34.837 32.600 0.039 0.000 1.687 386 M HN 0.988 nan 8.290 nan 0.000 0.449 387 S N 3.210 118.885 115.700 -0.041 0.000 2.594 387 S HA 0.598 5.068 4.470 -0.000 0.000 0.296 387 S C -1.459 173.077 174.600 -0.107 0.000 1.124 387 S CA -0.772 57.384 58.200 -0.073 0.000 1.011 387 S CB 1.038 64.208 63.200 -0.050 0.000 1.016 387 S HN 0.843 nan 8.310 nan 0.000 0.485 388 N N 2.098 120.692 118.700 -0.176 0.000 2.443 388 N HA 0.566 5.306 4.740 -0.000 0.000 0.295 388 N C -1.321 173.850 175.510 -0.566 0.000 1.076 388 N CA -0.421 52.388 53.050 -0.401 0.000 0.919 388 N CB 1.861 40.062 38.487 -0.477 0.000 1.176 388 N HN 0.478 nan 8.380 nan 0.000 0.487 389 S N 1.400 116.625 115.700 -0.791 0.000 2.736 389 S HA 0.561 5.031 4.470 -0.000 0.000 0.285 389 S C -1.373 172.780 174.600 -0.745 0.000 1.163 389 S CA -0.599 57.253 58.200 -0.580 0.000 1.025 389 S CB 0.359 63.397 63.200 -0.271 0.000 1.030 389 S HN 0.287 nan 8.310 nan 0.000 0.486 390 F N 1.407 121.006 119.950 -0.585 0.000 2.507 390 F HA 0.750 5.277 4.527 -0.000 0.000 0.328 390 F C 0.724 176.273 175.800 -0.417 0.000 1.136 390 F CA -0.914 56.789 58.000 -0.495 0.000 0.930 390 F CB 1.627 40.321 39.000 -0.509 0.000 1.166 390 F HN 0.637 nan 8.300 nan 0.000 0.436 391 G N 1.721 110.557 108.800 0.059 0.000 2.644 391 G HA2 0.584 4.544 3.960 -0.000 0.000 0.307 391 G HA3 0.584 4.544 3.960 -0.000 0.000 0.307 391 G C -0.812 174.225 174.900 0.229 0.000 1.250 391 G CA -0.864 44.277 45.100 0.068 0.000 0.996 391 G HN 0.454 nan 8.290 nan 0.000 0.489 392 F N -0.216 119.826 119.950 0.154 0.000 2.589 392 F HA 0.281 4.808 4.527 -0.000 0.000 0.352 392 F C 1.721 177.582 175.800 0.101 0.000 1.168 392 F CA 1.179 59.259 58.000 0.133 0.000 1.353 392 F CB 0.813 39.907 39.000 0.156 0.000 1.116 392 F HN 0.821 nan 8.300 nan 0.000 0.608 393 G N 0.836 109.795 108.800 0.264 0.000 2.157 393 G HA2 -0.096 3.863 3.960 -0.000 0.000 0.248 393 G HA3 -0.096 3.863 3.960 -0.000 0.000 0.248 393 G C 0.691 175.662 174.900 0.118 0.000 0.979 393 G CA 0.132 45.322 45.100 0.150 0.000 0.650 393 G HN 1.796 nan 8.290 nan 0.000 0.529 394 G N -1.090 107.791 108.800 0.135 0.000 2.273 394 G HA2 0.073 4.033 3.960 -0.000 0.000 0.280 394 G HA3 0.073 4.033 3.960 -0.000 0.000 0.280 394 G C 0.358 175.315 174.900 0.095 0.000 1.047 394 G CA 1.375 46.527 45.100 0.086 0.000 0.869 394 G HN 1.969 nan 8.290 nan 0.000 0.502 395 T N 0.397 115.040 114.554 0.148 0.000 2.767 395 T HA 0.568 4.918 4.350 -0.000 0.000 0.288 395 T C 0.025 174.876 174.700 0.251 0.000 0.963 395 T CA -0.599 61.618 62.100 0.194 0.000 1.019 395 T CB 0.320 69.325 68.868 0.228 0.000 0.923 395 T HN 0.328 nan 8.240 nan 0.000 0.468 396 N N 2.977 121.838 118.700 0.269 0.000 2.269 396 N HA 0.706 5.446 4.740 -0.000 0.000 0.304 396 N C -1.259 174.368 175.510 0.196 0.000 1.072 396 N CA -0.632 52.615 53.050 0.328 0.000 0.802 396 N CB 2.117 40.775 38.487 0.286 0.000 1.348 396 N HN 0.743 nan 8.380 nan 0.000 0.484 397 A N 0.764 123.592 122.820 0.012 0.000 2.422 397 A HA 0.767 5.087 4.320 -0.000 0.000 0.302 397 A C -0.842 176.694 177.584 -0.080 0.000 1.041 397 A CA -0.490 51.460 52.037 -0.145 0.000 0.708 397 A CB 1.365 20.029 19.000 -0.560 0.000 1.257 397 A HN 0.455 nan 8.150 nan 0.000 0.414 398 T N 2.273 116.837 114.554 0.017 0.000 2.921 398 T HA 0.599 4.949 4.350 -0.000 0.000 0.297 398 T C -0.934 173.830 174.700 0.108 0.000 1.013 398 T CA -0.243 61.873 62.100 0.028 0.000 0.990 398 T CB 0.929 69.833 68.868 0.060 0.000 1.023 398 T HN 0.508 nan 8.240 nan 0.000 0.447 399 L N 2.660 123.921 121.223 0.064 0.000 2.365 399 L HA 0.792 5.132 4.340 -0.000 0.000 0.273 399 L C -0.855 176.048 176.870 0.054 0.000 1.000 399 L CA -1.141 53.747 54.840 0.080 0.000 0.819 399 L CB 2.113 44.183 42.059 0.019 0.000 1.284 399 L HN 0.337 nan 8.230 nan 0.000 0.418 400 V N 4.004 123.958 119.914 0.067 0.000 2.444 400 V HA 0.508 4.628 4.120 -0.000 0.000 0.294 400 V C -0.159 175.962 176.094 0.045 0.000 1.022 400 V CA -0.326 62.009 62.300 0.059 0.000 0.850 400 V CB 1.788 33.654 31.823 0.071 0.000 0.992 400 V HN 0.709 nan 8.190 nan 0.000 0.426 401 M N 5.194 124.816 119.600 0.037 0.000 2.393 401 M HA 0.669 5.149 4.480 -0.000 0.000 0.316 401 M C -0.536 175.784 176.300 0.034 0.000 1.087 401 M CA -0.490 54.826 55.300 0.028 0.000 0.937 401 M CB 2.662 35.272 32.600 0.016 0.000 1.668 401 M HN 0.570 nan 8.290 nan 0.000 0.438 402 R N 1.482 121.998 120.500 0.027 0.000 2.725 402 R HA 0.479 4.819 4.340 -0.000 0.000 0.277 402 R C -1.118 175.191 176.300 0.016 0.000 0.987 402 R CA -0.793 55.322 56.100 0.026 0.000 0.901 402 R CB 2.185 32.501 30.300 0.027 0.000 1.207 402 R HN 0.652 nan 8.270 nan 0.000 0.463 403 K N 2.195 122.604 120.400 0.014 0.000 2.380 403 K HA -0.032 4.288 4.320 -0.000 0.000 0.267 403 K C 0.715 177.312 176.600 -0.005 0.000 0.990 403 K CA -0.207 56.081 56.287 0.002 0.000 0.946 403 K CB 0.619 33.121 32.500 0.003 0.000 0.937 403 K HN 0.315 nan 8.250 nan 0.000 0.491 404 L N 2.350 123.562 121.223 -0.018 0.000 1.958 404 L HA 0.049 4.389 4.340 -0.000 0.000 0.211 404 L C -0.161 176.701 176.870 -0.013 0.000 1.139 404 L CA 1.580 56.409 54.840 -0.018 0.000 0.815 404 L CB 0.045 42.085 42.059 -0.032 0.000 0.910 404 L HN 0.546 nan 8.230 nan 0.000 0.456 405 K N -0.918 119.472 120.400 -0.017 0.000 2.532 405 K HA 0.390 4.710 4.320 -0.000 0.000 0.265 405 K C -1.407 175.186 176.600 -0.012 0.000 0.948 405 K CA -0.524 55.757 56.287 -0.011 0.000 0.842 405 K CB 2.000 34.494 32.500 -0.010 0.000 1.392 405 K HN 0.341 nan 8.250 nan 0.000 0.436 406 D N 0.000 120.396 120.400 -0.007 0.000 6.856 406 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 406 D CA 0.000 53.996 54.000 -0.006 0.000 0.868 406 D CB 0.000 40.795 40.800 -0.008 0.000 0.688 406 D HN 0.000 nan 8.370 nan 0.000 0.683