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 2bui_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKRAVITGLG IVSSIGNNQQ EVLASLREGR SGITFSQELK DSGMRSHVWG DATA SEQUENCE NVKLDTTGLI DRKVVRFMSD ASIYAFLSME QAIADAGLSP EAYQNNPRVG DATA SEQUENCE LIAGSGGGSP RFQVFGADAM RGPRGLKAVG PYVVTKAMAS GVSACLATPF DATA SEQUENCE KIHGVNYSIS SACATSAHCI GNAVEQIQLG KQDIVFAGGG EELCWEMACE DATA SEQUENCE FDAMGALSTK YNDTPEKASR TYDAHRDGFV IAGGGGMVVV EELEHALARG DATA SEQUENCE AHIYAEIVGY GATSDGADMV APSGEGAVRC MKMAMHGVDT PIDYLNSHGT DATA SEQUENCE STPVGDVKEL AAIREVFGDK SPAISATKAM TGHSLGAAGV QEAIYSLLML DATA SEQUENCE EHGFIAPSIN IEELDEQAAG LNIVTETTDR ELTTVMSNSF GFGGTNATLV DATA SEQUENCE 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 0.000 176.308 176.300 0.013 0.000 1.140 1 M CA 0.000 55.310 55.300 0.017 0.000 0.988 1 M CB 0.000 32.613 32.600 0.022 0.000 1.302 2 K N 1.654 122.060 120.400 0.011 0.000 2.090 2 K HA 0.691 5.011 4.320 -0.000 0.000 0.250 2 K C -0.031 176.572 176.600 0.004 0.000 1.004 2 K CA -0.742 55.548 56.287 0.006 0.000 0.919 2 K CB 1.627 34.129 32.500 0.003 0.000 1.045 2 K HN 0.507 nan 8.250 nan 0.000 0.471 3 R N 0.315 120.815 120.500 -0.000 0.000 2.486 3 R HA 0.472 4.812 4.340 -0.000 0.000 0.286 3 R C -0.778 175.512 176.300 -0.016 0.000 0.999 3 R CA -0.621 55.477 56.100 -0.004 0.000 0.993 3 R CB 1.557 31.854 30.300 -0.004 0.000 1.084 3 R HN 0.586 nan 8.270 nan 0.000 0.487 4 A N 2.274 125.081 122.820 -0.022 0.000 2.331 4 A HA 0.603 4.923 4.320 -0.000 0.000 0.320 4 A C -0.424 177.135 177.584 -0.042 0.000 1.138 4 A CA -0.701 51.311 52.037 -0.041 0.000 0.790 4 A CB 1.101 20.070 19.000 -0.053 0.000 1.206 4 A HN 0.531 nan 8.150 nan 0.000 0.470 5 V N 0.270 120.154 119.914 -0.051 0.000 2.960 5 V HA 0.738 4.858 4.120 -0.000 0.000 0.315 5 V C -0.359 175.701 176.094 -0.056 0.000 1.087 5 V CA -0.959 61.312 62.300 -0.047 0.000 0.982 5 V CB 1.633 33.427 31.823 -0.047 0.000 1.039 5 V HN 0.684 nan 8.190 nan 0.000 0.437 6 I N 2.649 123.201 120.570 -0.031 0.000 2.315 6 I HA 0.396 4.566 4.170 -0.000 0.000 0.291 6 I C 1.062 177.217 176.117 0.063 0.000 1.006 6 I CA 0.018 61.314 61.300 -0.007 0.000 1.265 6 I CB 1.998 39.994 38.000 -0.006 0.000 1.387 6 I HN 0.984 nan 8.210 nan 0.000 0.475 7 T N 0.823 115.398 114.554 0.034 0.000 3.085 7 T HA 0.470 4.820 4.350 -0.000 0.000 0.264 7 T C 0.369 175.157 174.700 0.145 0.000 1.019 7 T CA -0.383 61.734 62.100 0.028 0.000 0.910 7 T CB 0.387 69.236 68.868 -0.032 0.000 1.059 7 T HN 0.752 nan 8.240 nan 0.000 0.542 8 G N 1.310 110.253 108.800 0.237 0.000 2.556 8 G HA2 0.530 4.490 3.960 -0.000 0.000 0.294 8 G HA3 0.530 4.490 3.960 -0.000 0.000 0.294 8 G C -2.095 172.855 174.900 0.084 0.000 1.516 8 G CA -0.858 44.398 45.100 0.259 0.000 0.824 8 G HN 0.694 nan 8.290 nan 0.000 0.535 9 L N -1.279 119.963 121.223 0.032 0.000 2.540 9 L HA 1.067 5.406 4.340 -0.000 0.000 0.256 9 L C -0.036 176.796 176.870 -0.063 0.000 1.001 9 L CA -0.748 54.030 54.840 -0.102 0.000 0.843 9 L CB 1.751 43.637 42.059 -0.289 0.000 1.436 9 L HN 1.382 nan 8.230 nan 0.000 0.410 10 G N 0.519 109.268 108.800 -0.085 0.000 2.696 10 G HA2 0.789 4.749 3.960 -0.000 0.000 0.295 10 G HA3 0.789 4.749 3.960 -0.000 0.000 0.295 10 G C -2.065 172.788 174.900 -0.078 0.000 1.398 10 G CA -0.676 44.385 45.100 -0.065 0.000 0.920 10 G HN 1.040 nan 8.290 nan 0.000 0.492 11 I N 0.564 121.100 120.570 -0.056 0.000 2.753 11 I HA 0.508 4.678 4.170 -0.000 0.000 0.291 11 I C -1.547 174.545 176.117 -0.041 0.000 1.425 11 I CA -0.857 60.404 61.300 -0.066 0.000 1.039 11 I CB 2.232 40.175 38.000 -0.096 0.000 1.349 11 I HN 0.349 nan 8.210 nan 0.000 0.430 12 V N 6.275 126.153 119.914 -0.060 0.000 2.349 12 V HA 0.544 4.664 4.120 -0.000 0.000 0.284 12 V C -0.218 175.782 176.094 -0.158 0.000 1.014 12 V CA -0.210 62.038 62.300 -0.087 0.000 0.826 12 V CB 1.244 33.025 31.823 -0.069 0.000 1.009 12 V HN 0.726 nan 8.190 nan 0.000 0.431 13 S N 2.652 118.288 115.700 -0.107 0.000 2.709 13 S HA 0.460 4.930 4.470 -0.000 0.000 0.302 13 S C 1.365 175.909 174.600 -0.094 0.000 1.127 13 S CA 0.189 58.337 58.200 -0.087 0.000 0.905 13 S CB 2.160 65.388 63.200 0.047 0.000 1.151 13 S HN 0.883 nan 8.310 nan 0.000 0.510 14 S N 1.264 116.915 115.700 -0.081 0.000 2.447 14 S HA -0.066 4.404 4.470 -0.000 0.000 0.233 14 S C 1.371 175.947 174.600 -0.039 0.000 1.006 14 S CA 1.243 59.398 58.200 -0.076 0.000 0.957 14 S CB -0.927 62.237 63.200 -0.060 0.000 0.773 14 S HN 0.824 nan 8.310 nan 0.000 0.507 15 I N -2.338 118.219 120.570 -0.022 0.000 3.927 15 I HA 0.687 4.856 4.170 -0.000 0.000 0.332 15 I C 0.492 176.605 176.117 -0.007 0.000 1.485 15 I CA -0.481 60.806 61.300 -0.023 0.000 1.131 15 I CB 0.214 38.180 38.000 -0.056 0.000 1.092 15 I HN 0.272 nan 8.210 nan 0.000 0.410 16 G N 1.057 109.854 108.800 -0.005 0.000 2.341 16 G HA2 0.037 3.997 3.960 -0.000 0.000 0.300 16 G HA3 0.037 3.997 3.960 -0.000 0.000 0.300 16 G C -0.786 174.109 174.900 -0.008 0.000 1.706 16 G CA -0.659 44.441 45.100 0.001 0.000 0.916 16 G HN 0.017 nan 8.290 nan 0.000 0.716 17 N N 0.231 118.928 118.700 -0.006 0.000 2.322 17 N HA 0.093 4.832 4.740 -0.000 0.000 0.194 17 N C 0.396 175.909 175.510 0.005 0.000 1.126 17 N CA 0.751 53.797 53.050 -0.005 0.000 0.845 17 N CB 0.260 38.750 38.487 0.005 0.000 0.976 17 N HN 0.838 nan 8.380 nan 0.000 0.475 18 N N -1.876 116.829 118.700 0.007 0.000 3.227 18 N HA -0.048 4.692 4.740 -0.000 0.000 0.241 18 N C 0.351 175.871 175.510 0.018 0.000 1.480 18 N CA -0.678 52.379 53.050 0.011 0.000 0.886 18 N CB 0.470 38.967 38.487 0.016 0.000 1.406 18 N HN -0.155 nan 8.380 nan 0.000 0.514 19 Q N -1.109 118.705 119.800 0.023 0.000 2.226 19 Q HA -0.155 4.185 4.340 -0.000 0.000 0.204 19 Q C 0.705 176.724 176.000 0.032 0.000 0.975 19 Q CA 1.574 57.399 55.803 0.036 0.000 0.866 19 Q CB -0.285 28.483 28.738 0.051 0.000 0.915 19 Q HN 0.643 nan 8.270 nan 0.000 0.440 20 Q N 1.277 121.090 119.800 0.022 0.000 2.046 20 Q HA -0.099 4.241 4.340 -0.000 0.000 0.200 20 Q C 1.833 177.823 176.000 -0.016 0.000 0.975 20 Q CA 1.904 57.706 55.803 -0.001 0.000 0.836 20 Q CB 0.029 28.770 28.738 0.005 0.000 0.896 20 Q HN 0.544 nan 8.270 nan 0.000 0.428 21 E N -0.266 119.932 120.200 -0.004 0.000 2.110 21 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 21 E C 1.962 178.559 176.600 -0.006 0.000 0.988 21 E CA 1.247 57.642 56.400 -0.008 0.000 0.804 21 E CB -0.012 29.687 29.700 -0.002 0.000 0.745 21 E HN 0.120 nan 8.360 nan 0.000 0.458 22 V N 1.390 121.316 119.914 0.020 0.000 2.358 22 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 22 V C 2.270 178.383 176.094 0.032 0.000 1.047 22 V CA 1.265 63.597 62.300 0.054 0.000 1.035 22 V CB -0.324 31.583 31.823 0.139 0.000 0.658 22 V HN 0.216 nan 8.190 nan 0.000 0.452 23 L N 0.982 122.209 121.223 0.006 0.000 2.017 23 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 23 L C 2.461 179.266 176.870 -0.109 0.000 1.073 23 L CA 2.457 57.270 54.840 -0.045 0.000 0.745 23 L CB -0.932 41.028 42.059 -0.166 0.000 0.894 23 L HN 0.220 nan 8.230 nan 0.000 0.432 24 A N -1.577 121.183 122.820 -0.101 0.000 1.933 24 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 24 A C 2.387 179.913 177.584 -0.097 0.000 1.175 24 A CA 2.047 54.018 52.037 -0.109 0.000 0.628 24 A CB -0.889 18.066 19.000 -0.075 0.000 0.814 24 A HN 0.548 nan 8.150 nan 0.000 0.444 25 S N -0.233 115.426 115.700 -0.069 0.000 2.357 25 S HA -0.023 4.447 4.470 -0.000 0.000 0.221 25 S C 1.839 176.393 174.600 -0.077 0.000 1.031 25 S CA 1.237 59.397 58.200 -0.066 0.000 0.982 25 S CB -0.428 62.737 63.200 -0.057 0.000 0.853 25 S HN 0.514 nan 8.310 nan 0.000 0.458 26 L N 1.198 122.384 121.223 -0.063 0.000 2.012 26 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 26 L C 2.702 179.559 176.870 -0.022 0.000 1.073 26 L CA 1.390 56.222 54.840 -0.015 0.000 0.748 26 L CB -0.524 41.612 42.059 0.129 0.000 0.891 26 L HN 0.241 nan 8.230 nan 0.000 0.431 27 R N -0.256 120.131 120.500 -0.189 0.000 2.115 27 R HA -0.169 4.171 4.340 -0.000 0.000 0.230 27 R C 2.094 178.288 176.300 -0.176 0.000 1.111 27 R CA 1.146 57.040 56.100 -0.343 0.000 0.976 27 R CB -0.252 29.714 30.300 -0.556 0.000 0.870 27 R HN 0.430 nan 8.270 nan 0.000 0.445 28 E N 0.203 120.325 120.200 -0.131 0.000 2.358 28 E HA -0.062 4.288 4.350 -0.000 0.000 0.195 28 E C 0.545 177.109 176.600 -0.060 0.000 1.010 28 E CA 0.542 56.889 56.400 -0.088 0.000 0.856 28 E CB 0.195 29.849 29.700 -0.076 0.000 0.795 28 E HN 0.462 nan 8.360 nan 0.000 0.504 29 G N 2.166 110.933 108.800 -0.056 0.000 2.176 29 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.252 29 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.252 29 G C 0.162 175.036 174.900 -0.043 0.000 1.024 29 G CA 0.569 45.645 45.100 -0.041 0.000 0.755 29 G HN 0.303 nan 8.290 nan 0.000 0.507 30 R N 0.352 120.822 120.500 -0.049 0.000 2.590 30 R HA 0.460 4.800 4.340 -0.000 0.000 0.274 30 R C 0.823 177.099 176.300 -0.041 0.000 1.061 30 R CA 0.555 56.631 56.100 -0.040 0.000 1.081 30 R CB 0.428 30.705 30.300 -0.039 0.000 0.984 30 R HN 0.314 nan 8.270 nan 0.000 0.448 31 S N 1.379 117.065 115.700 -0.024 0.000 2.585 31 S HA 0.409 4.879 4.470 -0.000 0.000 0.277 31 S C 0.671 175.269 174.600 -0.003 0.000 1.241 31 S CA -0.303 57.887 58.200 -0.016 0.000 1.041 31 S CB 1.614 64.814 63.200 -0.000 0.000 0.987 31 S HN 0.759 nan 8.310 nan 0.000 0.512 32 G N 2.744 111.544 108.800 0.000 0.000 3.324 32 G HA2 0.286 4.246 3.960 -0.000 0.000 0.251 32 G HA3 0.286 4.246 3.960 -0.000 0.000 0.251 32 G C -0.175 174.758 174.900 0.055 0.000 1.072 32 G CA -0.235 44.873 45.100 0.013 0.000 0.787 32 G HN 0.573 nan 8.290 nan 0.000 0.537 33 I N 1.807 122.424 120.570 0.077 0.000 2.474 33 I HA 0.436 4.606 4.170 -0.000 0.000 0.287 33 I C 0.363 176.585 176.117 0.176 0.000 1.048 33 I CA 0.283 61.667 61.300 0.140 0.000 1.383 33 I CB 1.727 39.798 38.000 0.118 0.000 1.412 33 I HN -0.184 nan 8.210 nan 0.000 0.531 34 T N 4.858 119.574 114.554 0.270 0.000 2.865 34 T HA 0.411 4.761 4.350 -0.000 0.000 0.294 34 T C -0.803 174.033 174.700 0.227 0.000 1.119 34 T CA -0.496 61.762 62.100 0.263 0.000 1.007 34 T CB 1.182 70.231 68.868 0.302 0.000 1.225 34 T HN 0.232 nan 8.240 nan 0.000 0.515 35 F N 2.046 122.035 119.950 0.065 0.000 2.443 35 F HA 0.531 5.058 4.527 -0.000 0.000 0.353 35 F C 0.431 176.131 175.800 -0.167 0.000 1.101 35 F CA -0.222 57.760 58.000 -0.031 0.000 1.226 35 F CB 0.731 39.726 39.000 -0.009 0.000 1.140 35 F HN 0.383 nan 8.300 nan 0.000 0.557 36 S N 4.962 119.855 115.700 -1.345 0.000 2.566 36 S HA 0.187 4.657 4.470 -0.000 0.000 0.324 36 S C 0.568 174.378 174.600 -1.315 0.000 1.081 36 S CA -0.673 56.692 58.200 -1.391 0.000 1.105 36 S CB 1.264 63.139 63.200 -2.208 0.000 0.981 36 S HN 0.886 nan 8.310 nan 0.000 0.464 37 Q N 3.576 122.959 119.800 -0.695 0.000 2.119 37 Q HA -0.075 4.265 4.340 -0.000 0.000 0.201 37 Q C 1.745 177.525 176.000 -0.367 0.000 0.972 37 Q CA 2.188 57.783 55.803 -0.346 0.000 0.847 37 Q CB -0.190 28.534 28.738 -0.023 0.000 0.903 37 Q HN 0.907 nan 8.270 nan 0.000 0.433 38 E N -0.465 119.517 120.200 -0.362 0.000 2.058 38 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 38 E C 1.851 178.279 176.600 -0.286 0.000 0.997 38 E CA 1.378 57.645 56.400 -0.222 0.000 0.801 38 E CB -0.189 29.504 29.700 -0.011 0.000 0.746 38 E HN 0.458 nan 8.360 nan 0.000 0.450 39 L N 0.624 121.577 121.223 -0.450 0.000 2.046 39 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 39 L C 2.868 179.555 176.870 -0.305 0.000 1.077 39 L CA 1.449 56.120 54.840 -0.282 0.000 0.747 39 L CB -0.543 41.323 42.059 -0.321 0.000 0.896 39 L HN 0.159 nan 8.230 nan 0.000 0.432 40 K N 0.243 120.317 120.400 -0.543 0.000 2.026 40 K HA -0.208 4.112 4.320 -0.000 0.000 0.208 40 K C 1.697 178.081 176.600 -0.360 0.000 1.048 40 K CA 1.838 57.717 56.287 -0.679 0.000 0.929 40 K CB 0.002 32.009 32.500 -0.821 0.000 0.713 40 K HN 0.228 nan 8.250 nan 0.000 0.439 41 D N 0.243 120.459 120.400 -0.307 0.000 2.144 41 D HA -0.136 4.504 4.640 -0.000 0.000 0.199 41 D C 1.922 178.036 176.300 -0.310 0.000 0.984 41 D CA 1.575 55.423 54.000 -0.252 0.000 0.834 41 D CB -0.247 40.420 40.800 -0.221 0.000 0.955 41 D HN 0.348 nan 8.370 nan 0.000 0.465 42 S N -0.649 114.813 115.700 -0.396 0.000 2.469 42 S HA 0.057 4.527 4.470 -0.000 0.000 0.238 42 S C 1.756 176.182 174.600 -0.290 0.000 0.998 42 S CA 1.146 59.021 58.200 -0.543 0.000 0.957 42 S CB -0.039 62.806 63.200 -0.592 0.000 0.764 42 S HN 0.361 nan 8.310 nan 0.000 0.514 43 G N 0.445 109.139 108.800 -0.176 0.000 2.144 43 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.218 43 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.218 43 G C -0.013 174.890 174.900 0.006 0.000 0.988 43 G CA 0.087 45.140 45.100 -0.078 0.000 0.659 43 G HN 0.489 nan 8.290 nan 0.000 0.522 44 M N -0.683 118.937 119.600 0.033 0.000 2.163 44 M HA 0.438 4.918 4.480 -0.000 0.000 0.305 44 M C 1.854 178.264 176.300 0.183 0.000 1.166 44 M CA -0.028 55.335 55.300 0.105 0.000 1.132 44 M CB 0.548 33.220 32.600 0.121 0.000 1.413 44 M HN 0.134 nan 8.290 nan 0.000 0.478 45 R N -0.528 120.021 120.500 0.082 0.000 2.189 45 R HA 0.131 4.471 4.340 -0.000 0.000 0.203 45 R C 0.384 176.557 176.300 -0.212 0.000 1.012 45 R CA 0.174 56.242 56.100 -0.052 0.000 1.015 45 R CB 0.303 30.576 30.300 -0.045 0.000 0.938 45 R HN 0.539 nan 8.270 nan 0.000 0.472 46 S N 0.445 116.126 115.700 -0.032 0.000 2.465 46 S HA 0.125 4.595 4.470 -0.000 0.000 0.279 46 S C 0.020 174.678 174.600 0.096 0.000 1.201 46 S CA -0.496 57.687 58.200 -0.028 0.000 1.053 46 S CB 0.297 63.507 63.200 0.018 0.000 0.953 46 S HN 0.334 nan 8.310 nan 0.000 0.488 47 H N 2.653 121.669 119.070 -0.090 0.000 2.528 47 H HA 0.292 4.848 4.556 -0.000 0.000 0.282 47 H C 0.104 175.211 175.328 -0.369 0.000 1.097 47 H CA -0.520 55.365 56.048 -0.273 0.000 1.121 47 H CB 0.609 30.286 29.762 -0.142 0.000 1.590 47 H HN 0.459 nan 8.280 nan 0.000 0.553 48 V N -1.514 118.366 119.914 -0.057 0.000 2.864 48 V HA 0.606 4.726 4.120 -0.000 0.000 0.314 48 V C -1.193 174.981 176.094 0.133 0.000 1.073 48 V CA -0.910 61.384 62.300 -0.010 0.000 0.956 48 V CB 2.075 33.964 31.823 0.109 0.000 1.023 48 V HN 0.377 nan 8.190 nan 0.000 0.435 49 W N 1.187 122.506 121.300 0.032 0.000 3.066 49 W HA 0.807 5.467 4.660 -0.000 0.000 0.330 49 W C -0.374 176.165 176.519 0.034 0.000 1.253 49 W CA -1.691 55.677 57.345 0.038 0.000 1.187 49 W CB 0.857 30.337 29.460 0.035 0.000 1.434 49 W HN 1.022 nan 8.180 nan 0.000 0.572 50 G N 2.101 111.008 108.800 0.178 0.000 2.922 50 G HA2 0.397 4.357 3.960 -0.000 0.000 0.335 50 G HA3 0.397 4.357 3.960 -0.000 0.000 0.335 50 G C -0.416 174.351 174.900 -0.221 0.000 1.016 50 G CA -0.809 44.298 45.100 0.012 0.000 1.306 50 G HN 0.626 nan 8.290 nan 0.000 0.465 51 N N -0.049 118.429 118.700 -0.370 0.000 2.493 51 N HA 0.435 5.175 4.740 -0.000 0.000 0.275 51 N C -0.448 174.888 175.510 -0.291 0.000 1.186 51 N CA -0.890 51.828 53.050 -0.554 0.000 0.978 51 N CB 1.879 39.932 38.487 -0.724 0.000 1.184 51 N HN -0.008 nan 8.380 nan 0.000 0.487 52 V N 1.272 121.005 119.914 -0.301 0.000 2.432 52 V HA 0.086 4.206 4.120 -0.000 0.000 0.271 52 V C 0.113 176.145 176.094 -0.104 0.000 1.046 52 V CA -0.537 61.624 62.300 -0.232 0.000 0.945 52 V CB 0.740 32.344 31.823 -0.365 0.000 0.992 52 V HN 0.698 nan 8.190 nan 0.000 0.471 53 K N 6.091 126.455 120.400 -0.059 0.000 2.222 53 K HA 0.496 4.816 4.320 -0.000 0.000 0.243 53 K C -0.932 175.672 176.600 0.008 0.000 1.160 53 K CA -0.330 55.953 56.287 -0.007 0.000 1.090 53 K CB 0.527 33.031 32.500 0.007 0.000 1.694 53 K HN 0.436 nan 8.250 nan 0.000 0.361 54 L N 0.955 122.192 121.223 0.025 0.000 2.565 54 L HA 0.254 4.594 4.340 -0.000 0.000 0.261 54 L C -1.687 175.218 176.870 0.060 0.000 0.932 54 L CA -0.491 54.375 54.840 0.042 0.000 0.878 54 L CB 2.246 44.333 42.059 0.047 0.000 1.333 54 L HN 0.265 nan 8.230 nan 0.000 0.409 55 D N 1.953 122.383 120.400 0.050 0.000 2.422 55 D HA 0.214 4.854 4.640 -0.000 0.000 0.227 55 D C 1.006 177.333 176.300 0.046 0.000 1.190 55 D CA 0.469 54.496 54.000 0.046 0.000 0.905 55 D CB 1.066 41.888 40.800 0.036 0.000 1.034 55 D HN 0.657 nan 8.370 nan 0.000 0.507 56 T N 0.155 114.740 114.554 0.051 0.000 3.160 56 T HA 0.001 4.351 4.350 -0.000 0.000 0.257 56 T C 0.819 175.526 174.700 0.012 0.000 1.147 56 T CA -0.276 61.850 62.100 0.044 0.000 1.064 56 T CB -0.536 68.362 68.868 0.049 0.000 0.949 56 T HN 0.250 nan 8.240 nan 0.000 0.526 57 T N 2.394 116.952 114.554 0.008 0.000 2.908 57 T HA 0.401 4.751 4.350 -0.000 0.000 0.301 57 T C 1.546 176.241 174.700 -0.008 0.000 1.019 57 T CA 0.833 62.928 62.100 -0.008 0.000 1.152 57 T CB 0.102 68.969 68.868 -0.002 0.000 0.966 57 T HN 0.716 nan 8.240 nan 0.000 0.540 58 G N 2.574 111.359 108.800 -0.025 0.000 2.189 58 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.267 58 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.267 58 G C 0.869 175.763 174.900 -0.010 0.000 0.975 58 G CA 0.407 45.494 45.100 -0.022 0.000 0.644 58 G HN 0.692 nan 8.290 nan 0.000 0.537 59 L N -0.508 120.715 121.223 -0.001 0.000 2.313 59 L HA 0.352 4.692 4.340 -0.000 0.000 0.214 59 L C 1.293 178.183 176.870 0.033 0.000 1.119 59 L CA 0.732 55.592 54.840 0.033 0.000 0.809 59 L CB -0.055 42.040 42.059 0.061 0.000 0.933 59 L HN 0.287 nan 8.230 nan 0.000 0.449 60 I N -0.808 119.731 120.570 -0.052 0.000 2.545 60 I HA 0.162 4.332 4.170 -0.000 0.000 0.292 60 I C -0.124 175.896 176.117 -0.161 0.000 1.040 60 I CA -0.828 60.378 61.300 -0.157 0.000 1.068 60 I CB 2.266 40.033 38.000 -0.388 0.000 1.251 60 I HN -0.113 nan 8.210 nan 0.000 0.424 61 D N 5.136 125.444 120.400 -0.154 0.000 2.525 61 D HA -0.089 4.551 4.640 -0.000 0.000 0.235 61 D C 1.243 177.449 176.300 -0.156 0.000 1.137 61 D CA 0.344 54.270 54.000 -0.123 0.000 0.868 61 D CB 1.092 41.831 40.800 -0.102 0.000 1.180 61 D HN 0.494 nan 8.370 nan 0.000 0.465 62 R N 4.003 124.427 120.500 -0.127 0.000 2.113 62 R HA -0.197 4.143 4.340 -0.000 0.000 0.244 62 R C 1.490 177.676 176.300 -0.189 0.000 1.142 62 R CA 1.632 57.642 56.100 -0.150 0.000 0.953 62 R CB -0.164 30.069 30.300 -0.112 0.000 0.860 62 R HN 0.528 nan 8.270 nan 0.000 0.438 63 K N -0.238 120.080 120.400 -0.137 0.000 2.439 63 K HA -0.018 4.302 4.320 -0.000 0.000 0.197 63 K C 1.861 178.429 176.600 -0.052 0.000 1.041 63 K CA 0.721 56.942 56.287 -0.110 0.000 0.970 63 K CB 0.292 32.773 32.500 -0.031 0.000 0.773 63 K HN 0.064 nan 8.250 nan 0.000 0.479 64 V N -0.324 119.523 119.914 -0.112 0.000 2.581 64 V HA -0.088 4.032 4.120 -0.000 0.000 0.240 64 V C 1.825 177.813 176.094 -0.177 0.000 1.054 64 V CA 0.786 63.018 62.300 -0.113 0.000 1.076 64 V CB 0.423 32.088 31.823 -0.263 0.000 0.748 64 V HN 0.063 nan 8.190 nan 0.000 0.474 65 V N 2.414 122.156 119.914 -0.288 0.000 2.809 65 V HA -0.165 3.955 4.120 -0.000 0.000 0.256 65 V C 2.707 178.592 176.094 -0.349 0.000 1.080 65 V CA 1.963 64.073 62.300 -0.317 0.000 1.102 65 V CB -0.638 31.009 31.823 -0.294 0.000 0.705 65 V HN 0.713 nan 8.190 nan 0.000 0.475 66 R N -1.035 119.180 120.500 -0.475 0.000 2.241 66 R HA -0.110 4.230 4.340 -0.000 0.000 0.224 66 R C 1.641 177.376 176.300 -0.942 0.000 1.101 66 R CA 2.014 57.628 56.100 -0.811 0.000 0.995 66 R CB -0.617 28.969 30.300 -1.189 0.000 0.870 66 R HN 0.519 nan 8.270 nan 0.000 0.463 67 F N 0.673 120.350 119.950 -0.455 0.000 2.721 67 F HA 0.366 4.893 4.527 -0.000 0.000 0.301 67 F C 0.821 176.444 175.800 -0.295 0.000 1.096 67 F CA -0.464 57.354 58.000 -0.302 0.000 1.308 67 F CB 0.263 39.152 39.000 -0.185 0.000 1.086 67 F HN -0.132 nan 8.300 nan 0.000 0.587 68 M N 0.151 119.639 119.600 -0.186 0.000 2.314 68 M HA 0.332 4.812 4.480 -0.000 0.000 0.342 68 M C 0.424 176.519 176.300 -0.342 0.000 1.171 68 M CA -0.561 54.606 55.300 -0.221 0.000 1.098 68 M CB 1.479 33.953 32.600 -0.209 0.000 1.559 68 M HN 0.004 nan 8.290 nan 0.000 0.459 69 S N -0.356 115.190 115.700 -0.256 0.000 2.747 69 S HA 0.363 4.833 4.470 -0.000 0.000 0.300 69 S C 0.274 174.794 174.600 -0.133 0.000 1.121 69 S CA -0.842 57.255 58.200 -0.172 0.000 0.995 69 S CB 1.215 64.397 63.200 -0.031 0.000 1.113 69 S HN 0.672 nan 8.310 nan 0.000 0.547 70 D N 1.176 121.512 120.400 -0.106 0.000 2.123 70 D HA -0.068 4.572 4.640 -0.000 0.000 0.196 70 D C 2.207 178.199 176.300 -0.514 0.000 0.992 70 D CA 1.884 55.632 54.000 -0.420 0.000 0.833 70 D CB -0.904 39.658 40.800 -0.395 0.000 0.954 70 D HN 0.690 nan 8.370 nan 0.000 0.455 71 A N 0.541 123.262 122.820 -0.165 0.000 1.908 71 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 71 A C 2.468 180.050 177.584 -0.003 0.000 1.181 71 A CA 2.130 54.163 52.037 -0.007 0.000 0.627 71 A CB -0.641 18.390 19.000 0.051 0.000 0.818 71 A HN 0.191 nan 8.150 nan 0.000 0.445 72 S N -0.335 115.342 115.700 -0.038 0.000 2.368 72 S HA -0.080 4.390 4.470 -0.000 0.000 0.224 72 S C 1.811 176.427 174.600 0.027 0.000 1.029 72 S CA 1.363 59.568 58.200 0.008 0.000 0.988 72 S CB -0.477 62.708 63.200 -0.025 0.000 0.838 72 S HN 0.539 nan 8.310 nan 0.000 0.462 73 I N 0.417 120.925 120.570 -0.104 0.000 2.179 73 I HA -0.224 3.946 4.170 -0.000 0.000 0.242 73 I C 2.075 178.247 176.117 0.091 0.000 1.088 73 I CA 1.363 62.613 61.300 -0.084 0.000 1.357 73 I CB -0.453 37.400 38.000 -0.246 0.000 1.051 73 I HN 0.261 nan 8.210 nan 0.000 0.409 74 Y N 0.811 121.153 120.300 0.070 0.000 2.181 74 Y HA -0.190 4.359 4.550 -0.000 0.000 0.288 74 Y C 2.656 178.598 175.900 0.070 0.000 1.146 74 Y CA 0.810 58.944 58.100 0.055 0.000 1.164 74 Y CB -1.319 37.152 38.460 0.018 0.000 0.982 74 Y HN 0.127 nan 8.280 nan 0.000 0.515 75 A N -0.586 122.375 122.820 0.235 0.000 1.930 75 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 75 A C 2.185 179.866 177.584 0.162 0.000 1.175 75 A CA 1.198 53.325 52.037 0.150 0.000 0.627 75 A CB -1.298 17.773 19.000 0.118 0.000 0.815 75 A HN 0.434 nan 8.150 nan 0.000 0.443 76 F N 0.731 120.736 119.950 0.091 0.000 2.102 76 F HA -0.153 4.373 4.527 -0.000 0.000 0.298 76 F C 1.916 177.805 175.800 0.149 0.000 1.105 76 F CA 1.852 59.948 58.000 0.160 0.000 1.239 76 F CB -0.216 38.848 39.000 0.108 0.000 0.991 76 F HN 0.138 nan 8.300 nan 0.000 0.474 77 L N -0.698 120.715 121.223 0.317 0.000 2.083 77 L HA -0.229 4.111 4.340 -0.000 0.000 0.209 77 L C 2.494 179.385 176.870 0.035 0.000 1.083 77 L CA 1.351 56.301 54.840 0.183 0.000 0.752 77 L CB -0.958 41.229 42.059 0.212 0.000 0.899 77 L HN 0.095 nan 8.230 nan 0.000 0.433 78 S N -0.368 115.350 115.700 0.030 0.000 2.382 78 S HA -0.207 4.263 4.470 -0.000 0.000 0.228 78 S C 1.936 176.463 174.600 -0.122 0.000 1.027 78 S CA 1.500 59.680 58.200 -0.034 0.000 0.991 78 S CB -0.205 62.981 63.200 -0.022 0.000 0.823 78 S HN 0.356 nan 8.310 nan 0.000 0.469 79 M N 1.370 120.842 119.600 -0.212 0.000 2.175 79 M HA -0.106 4.374 4.480 -0.000 0.000 0.264 79 M C 1.969 177.961 176.300 -0.513 0.000 1.063 79 M CA 1.428 56.458 55.300 -0.450 0.000 1.119 79 M CB -0.145 32.009 32.600 -0.743 0.000 1.377 79 M HN 0.245 nan 8.290 nan 0.000 0.415 80 E N -0.204 119.772 120.200 -0.374 0.000 2.085 80 E HA -0.265 4.085 4.350 -0.000 0.000 0.194 80 E C 2.040 178.553 176.600 -0.145 0.000 0.994 80 E CA 1.635 57.900 56.400 -0.225 0.000 0.801 80 E CB -0.139 29.505 29.700 -0.093 0.000 0.743 80 E HN 0.672 nan 8.360 nan 0.000 0.453 81 Q N 0.051 119.789 119.800 -0.103 0.000 2.050 81 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 81 Q C 2.248 178.216 176.000 -0.053 0.000 0.980 81 Q CA 1.312 57.084 55.803 -0.050 0.000 0.840 81 Q CB -0.169 28.552 28.738 -0.029 0.000 0.898 81 Q HN 0.229 nan 8.270 nan 0.000 0.424 82 A N 0.971 123.738 122.820 -0.088 0.000 1.908 82 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 82 A C 2.050 179.617 177.584 -0.028 0.000 1.181 82 A CA 1.263 53.274 52.037 -0.043 0.000 0.627 82 A CB -0.722 18.256 19.000 -0.037 0.000 0.818 82 A HN 0.314 nan 8.150 nan 0.000 0.445 83 I N -0.317 120.167 120.570 -0.142 0.000 2.127 83 I HA -0.322 3.848 4.170 -0.000 0.000 0.241 83 I C 3.010 179.097 176.117 -0.049 0.000 1.075 83 I CA 1.263 62.465 61.300 -0.165 0.000 1.334 83 I CB -0.386 37.361 38.000 -0.422 0.000 1.040 83 I HN 0.374 nan 8.210 nan 0.000 0.405 84 A N 0.160 122.960 122.820 -0.034 0.000 1.902 84 A HA -0.298 4.022 4.320 -0.000 0.000 0.217 84 A C 1.986 179.589 177.584 0.031 0.000 1.181 84 A CA 2.295 54.339 52.037 0.012 0.000 0.623 84 A CB -0.759 18.248 19.000 0.013 0.000 0.818 84 A HN 0.468 nan 8.150 nan 0.000 0.443 85 D N -0.578 119.847 120.400 0.042 0.000 2.310 85 D HA 0.081 4.721 4.640 -0.000 0.000 0.212 85 D C 1.679 178.041 176.300 0.104 0.000 0.965 85 D CA 1.128 55.179 54.000 0.086 0.000 0.879 85 D CB -0.079 40.798 40.800 0.128 0.000 0.921 85 D HN 0.348 nan 8.370 nan 0.000 0.510 86 A N -0.781 122.085 122.820 0.076 0.000 2.178 86 A HA 0.451 4.771 4.320 -0.000 0.000 0.211 86 A C 1.854 179.471 177.584 0.054 0.000 1.157 86 A CA 0.814 52.891 52.037 0.067 0.000 0.780 86 A CB -0.302 18.720 19.000 0.037 0.000 0.828 86 A HN 0.397 nan 8.150 nan 0.000 0.476 87 G N -0.996 107.835 108.800 0.052 0.000 2.137 87 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.237 87 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.237 87 G C -0.044 174.900 174.900 0.074 0.000 1.002 87 G CA 0.341 45.473 45.100 0.052 0.000 0.702 87 G HN 0.434 nan 8.290 nan 0.000 0.515 88 L N 0.538 121.817 121.223 0.093 0.000 2.343 88 L HA 0.737 5.077 4.340 -0.000 0.000 0.275 88 L C 0.539 177.551 176.870 0.237 0.000 1.056 88 L CA -0.668 54.273 54.840 0.168 0.000 0.804 88 L CB 1.882 44.053 42.059 0.186 0.000 1.203 88 L HN 0.147 nan 8.230 nan 0.000 0.440 89 S N 1.342 117.208 115.700 0.277 0.000 2.600 89 S HA 0.415 4.885 4.470 -0.000 0.000 0.300 89 S C -1.951 172.739 174.600 0.149 0.000 1.087 89 S CA -1.061 57.278 58.200 0.232 0.000 0.965 89 S CB 2.204 65.469 63.200 0.108 0.000 1.089 89 S HN 0.357 nan 8.310 nan 0.000 0.496 90 P HA -0.195 nan 4.420 nan 0.000 0.217 90 P C 0.769 177.864 177.300 -0.341 0.000 1.158 90 P CA 1.459 64.301 63.100 -0.430 0.000 0.887 90 P CB 0.061 31.639 31.700 -0.205 0.000 0.792 91 E N -0.793 119.324 120.200 -0.140 0.000 2.219 91 E HA -0.172 4.178 4.350 -0.000 0.000 0.198 91 E C 1.964 178.527 176.600 -0.061 0.000 0.998 91 E CA 1.691 58.039 56.400 -0.087 0.000 0.818 91 E CB -0.885 28.795 29.700 -0.033 0.000 0.741 91 E HN 0.285 nan 8.360 nan 0.000 0.477 92 A N -0.207 122.602 122.820 -0.018 0.000 2.063 92 A HA 0.027 4.347 4.320 -0.000 0.000 0.211 92 A C 1.679 179.337 177.584 0.123 0.000 1.177 92 A CA 0.721 52.801 52.037 0.072 0.000 0.759 92 A CB -0.241 18.844 19.000 0.141 0.000 0.857 92 A HN 0.470 nan 8.150 nan 0.000 0.468 93 Y N -1.476 118.864 120.300 0.066 0.000 2.430 93 Y HA 0.488 5.038 4.550 -0.000 0.000 0.248 93 Y C 0.585 176.512 175.900 0.045 0.000 1.108 93 Y CA -0.633 57.523 58.100 0.093 0.000 1.264 93 Y CB -0.147 38.437 38.460 0.206 0.000 1.172 93 Y HN 0.164 nan 8.280 nan 0.000 0.520 94 Q N 1.788 121.303 119.800 -0.475 0.000 2.230 94 Q HA 0.247 4.587 4.340 -0.000 0.000 0.248 94 Q C -0.228 175.583 176.000 -0.316 0.000 0.915 94 Q CA -0.615 54.955 55.803 -0.389 0.000 0.900 94 Q CB 0.702 29.150 28.738 -0.484 0.000 1.229 94 Q HN 0.351 nan 8.270 nan 0.000 0.439 95 N N 1.671 120.058 118.700 -0.522 0.000 2.721 95 N HA -0.210 4.530 4.740 -0.000 0.000 0.249 95 N C -1.114 174.226 175.510 -0.283 0.000 1.072 95 N CA 0.781 53.347 53.050 -0.807 0.000 0.710 95 N CB -1.121 37.149 38.487 -0.361 0.000 0.993 95 N HN 0.553 nan 8.380 nan 0.000 0.547 96 N N 0.156 118.766 118.700 -0.150 0.000 2.524 96 N HA 0.331 5.071 4.740 -0.000 0.000 0.261 96 N C -1.929 173.643 175.510 0.102 0.000 0.998 96 N CA -1.978 51.085 53.050 0.023 0.000 0.915 96 N CB 1.537 40.040 38.487 0.026 0.000 1.187 96 N HN -0.189 nan 8.380 nan 0.000 0.507 97 P HA -0.061 nan 4.420 nan 0.000 0.220 97 P C 0.675 178.016 177.300 0.068 0.000 1.144 97 P CA 0.966 64.138 63.100 0.120 0.000 0.800 97 P CB 0.367 32.120 31.700 0.088 0.000 0.772 98 R N -0.959 119.568 120.500 0.045 0.000 2.320 98 R HA 0.177 4.517 4.340 -0.000 0.000 0.211 98 R C -0.075 176.208 176.300 -0.027 0.000 0.931 98 R CA 0.131 56.233 56.100 0.002 0.000 1.071 98 R CB -0.181 30.114 30.300 -0.007 0.000 1.025 98 R HN 0.152 nan 8.270 nan 0.000 0.495 99 V N -0.012 119.914 119.914 0.020 0.000 2.483 99 V HA 0.625 4.745 4.120 -0.000 0.000 0.297 99 V C 0.423 176.561 176.094 0.074 0.000 1.027 99 V CA -0.814 61.503 62.300 0.028 0.000 0.855 99 V CB 1.835 33.730 31.823 0.121 0.000 0.995 99 V HN 0.287 nan 8.190 nan 0.000 0.424 100 G N 3.031 111.848 108.800 0.028 0.000 3.140 100 G HA2 0.824 4.784 3.960 -0.000 0.000 0.271 100 G HA3 0.824 4.784 3.960 -0.000 0.000 0.271 100 G C -1.790 173.149 174.900 0.065 0.000 1.370 100 G CA -0.773 44.345 45.100 0.029 0.000 1.014 100 G HN 0.696 nan 8.290 nan 0.000 0.541 101 L N -0.426 120.786 121.223 -0.018 0.000 2.516 101 L HA 0.704 5.044 4.340 -0.000 0.000 0.267 101 L C -1.466 175.317 176.870 -0.144 0.000 0.957 101 L CA -0.475 54.358 54.840 -0.012 0.000 0.860 101 L CB 1.734 43.809 42.059 0.028 0.000 1.265 101 L HN 0.427 nan 8.230 nan 0.000 0.403 102 I N 5.455 125.949 120.570 -0.127 0.000 2.493 102 I HA 0.788 4.958 4.170 -0.000 0.000 0.279 102 I C -0.518 175.575 176.117 -0.040 0.000 1.045 102 I CA -0.392 60.817 61.300 -0.152 0.000 1.106 102 I CB 1.603 39.499 38.000 -0.172 0.000 1.216 102 I HN 0.766 nan 8.210 nan 0.000 0.459 103 A N 4.292 127.112 122.820 0.001 0.000 2.547 103 A HA 0.954 5.274 4.320 -0.000 0.000 0.297 103 A C -0.634 176.983 177.584 0.054 0.000 1.056 103 A CA -0.434 51.617 52.037 0.024 0.000 0.688 103 A CB 1.888 20.898 19.000 0.017 0.000 1.282 103 A HN 0.740 nan 8.150 nan 0.000 0.400 104 G N -0.212 108.623 108.800 0.058 0.000 2.788 104 G HA2 0.828 4.788 3.960 -0.000 0.000 0.293 104 G HA3 0.828 4.788 3.960 -0.000 0.000 0.293 104 G C -0.488 174.450 174.900 0.063 0.000 1.392 104 G CA 0.183 45.325 45.100 0.070 0.000 0.810 104 G HN 1.874 nan 8.290 nan 0.000 0.508 105 S N -2.032 113.708 115.700 0.066 0.000 2.667 105 S HA 0.693 5.163 4.470 -0.000 0.000 0.292 105 S C 1.022 175.660 174.600 0.064 0.000 1.126 105 S CA 0.273 58.511 58.200 0.063 0.000 0.881 105 S CB 1.538 64.778 63.200 0.067 0.000 1.132 105 S HN 1.464 nan 8.310 nan 0.000 0.492 106 G N -0.263 108.573 108.800 0.059 0.000 2.426 106 G HA2 0.341 4.301 3.960 -0.000 0.000 0.214 106 G HA3 0.341 4.301 3.960 -0.000 0.000 0.214 106 G C 0.849 175.795 174.900 0.076 0.000 1.156 106 G CA 0.351 45.488 45.100 0.062 0.000 0.802 106 G HN 1.245 nan 8.290 nan 0.000 0.534 107 G N -1.166 107.683 108.800 0.080 0.000 3.695 107 G HA2 0.473 4.433 3.960 -0.000 0.000 0.277 107 G HA3 0.473 4.433 3.960 -0.000 0.000 0.277 107 G C 1.027 175.970 174.900 0.071 0.000 1.001 107 G CA 0.783 45.931 45.100 0.079 0.000 0.837 107 G HN 1.066 nan 8.290 nan 0.000 0.492 108 G N 0.527 109.368 108.800 0.070 0.000 2.601 108 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.306 108 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.306 108 G C 0.468 175.415 174.900 0.078 0.000 1.172 108 G CA 0.873 46.014 45.100 0.069 0.000 0.966 108 G HN 1.533 nan 8.290 nan 0.000 0.542 109 S N 1.372 117.127 115.700 0.091 0.000 2.356 109 S HA 0.629 5.099 4.470 -0.000 0.000 0.171 109 S C -1.398 173.262 174.600 0.101 0.000 1.399 109 S CA 0.196 58.469 58.200 0.121 0.000 1.225 109 S CB 1.645 64.968 63.200 0.205 0.000 1.271 109 S HN 0.264 nan 8.310 nan 0.000 0.427 110 P HA -0.119 nan 4.420 nan 0.000 0.216 110 P C 1.532 178.792 177.300 -0.067 0.000 1.150 110 P CA 0.753 63.845 63.100 -0.014 0.000 0.837 110 P CB 0.121 31.795 31.700 -0.044 0.000 0.786 111 R N -0.864 119.573 120.500 -0.106 0.000 2.083 111 R HA -0.130 4.210 4.340 -0.000 0.000 0.237 111 R C 1.872 178.045 176.300 -0.212 0.000 1.137 111 R CA 1.716 57.675 56.100 -0.236 0.000 0.951 111 R CB -0.989 29.125 30.300 -0.309 0.000 0.851 111 R HN 0.106 nan 8.270 nan 0.000 0.434 112 F N 0.449 120.418 119.950 0.031 0.000 2.558 112 F HA 0.008 4.535 4.527 -0.000 0.000 0.298 112 F C 2.568 178.459 175.800 0.152 0.000 1.119 112 F CA 0.465 58.535 58.000 0.116 0.000 1.451 112 F CB 0.096 39.128 39.000 0.054 0.000 1.091 112 F HN 0.088 nan 8.300 nan 0.000 0.563 113 Q N 0.044 119.964 119.800 0.199 0.000 2.083 113 Q HA -0.088 4.252 4.340 -0.000 0.000 0.198 113 Q C 2.552 178.599 176.000 0.079 0.000 0.969 113 Q CA 1.177 57.057 55.803 0.129 0.000 0.838 113 Q CB -0.565 28.217 28.738 0.075 0.000 0.900 113 Q HN 0.267 nan 8.270 nan 0.000 0.436 114 V N 0.858 120.790 119.914 0.029 0.000 2.548 114 V HA -0.200 3.920 4.120 -0.000 0.000 0.249 114 V C 2.027 178.131 176.094 0.016 0.000 1.055 114 V CA 1.462 63.758 62.300 -0.007 0.000 1.065 114 V CB -0.735 31.037 31.823 -0.085 0.000 0.681 114 V HN 0.255 nan 8.190 nan 0.000 0.462 115 F N 2.252 122.163 119.950 -0.064 0.000 2.134 115 F HA -0.008 4.519 4.527 -0.000 0.000 0.299 115 F C 2.147 177.966 175.800 0.031 0.000 1.097 115 F CA 1.680 59.656 58.000 -0.040 0.000 1.264 115 F CB -0.799 38.138 39.000 -0.106 0.000 1.001 115 F HN 0.127 nan 8.300 nan 0.000 0.479 116 G N -0.095 108.681 108.800 -0.040 0.000 2.418 116 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.217 116 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.217 116 G C 1.808 176.608 174.900 -0.168 0.000 1.158 116 G CA 0.842 45.875 45.100 -0.112 0.000 0.771 116 G HN 0.625 nan 8.290 nan 0.000 0.545 117 A N 0.975 123.739 122.820 -0.093 0.000 1.873 117 A HA -0.012 4.308 4.320 -0.000 0.000 0.215 117 A C 2.112 179.631 177.584 -0.109 0.000 1.186 117 A CA 2.056 54.049 52.037 -0.073 0.000 0.616 117 A CB -0.426 18.557 19.000 -0.028 0.000 0.823 117 A HN 0.262 nan 8.150 nan 0.000 0.442 118 D N 0.206 120.523 120.400 -0.137 0.000 2.104 118 D HA -0.084 4.556 4.640 -0.000 0.000 0.194 118 D C 2.267 178.450 176.300 -0.195 0.000 0.994 118 D CA 1.736 55.658 54.000 -0.129 0.000 0.830 118 D CB -0.495 40.246 40.800 -0.099 0.000 0.959 118 D HN 0.401 nan 8.370 nan 0.000 0.452 119 A N 0.546 123.136 122.820 -0.382 0.000 1.877 119 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 119 A C 2.154 179.617 177.584 -0.201 0.000 1.186 119 A CA 1.902 53.717 52.037 -0.370 0.000 0.620 119 A CB -0.586 17.994 19.000 -0.701 0.000 0.822 119 A HN 0.178 nan 8.150 nan 0.000 0.443 120 M N -0.002 119.492 119.600 -0.177 0.000 2.149 120 M HA -0.101 4.379 4.480 -0.000 0.000 0.261 120 M C 1.864 178.122 176.300 -0.069 0.000 1.064 120 M CA 1.575 56.817 55.300 -0.097 0.000 1.102 120 M CB -0.467 32.090 32.600 -0.073 0.000 1.369 120 M HN 0.365 nan 8.290 nan 0.000 0.408 121 R N 0.066 120.524 120.500 -0.070 0.000 2.307 121 R HA 0.144 4.484 4.340 -0.000 0.000 0.199 121 R C 1.081 177.357 176.300 -0.041 0.000 1.000 121 R CA 0.335 56.408 56.100 -0.045 0.000 1.023 121 R CB -0.576 29.702 30.300 -0.036 0.000 0.908 121 R HN 0.493 nan 8.270 nan 0.000 0.473 122 G N 1.165 109.932 108.800 -0.054 0.000 2.621 122 G HA2 0.098 4.058 3.960 -0.000 0.000 0.271 122 G HA3 0.098 4.058 3.960 -0.000 0.000 0.271 122 G C -1.477 173.406 174.900 -0.028 0.000 1.236 122 G CA -0.976 44.100 45.100 -0.040 0.000 0.958 122 G HN -0.035 nan 8.290 nan 0.000 0.512 123 P HA 0.005 nan 4.420 nan 0.000 0.233 123 P C 1.210 178.503 177.300 -0.012 0.000 1.167 123 P CA 0.419 63.511 63.100 -0.013 0.000 0.770 123 P CB 0.410 32.106 31.700 -0.007 0.000 0.837 124 R N -0.434 120.057 120.500 -0.015 0.000 2.246 124 R HA 0.156 4.496 4.340 -0.000 0.000 0.199 124 R C 1.755 178.044 176.300 -0.018 0.000 0.984 124 R CA 0.800 56.893 56.100 -0.011 0.000 1.015 124 R CB -0.902 29.395 30.300 -0.004 0.000 0.930 124 R HN 0.218 nan 8.270 nan 0.000 0.475 125 G N 1.731 110.514 108.800 -0.029 0.000 2.651 125 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.315 125 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.315 125 G C 1.033 175.913 174.900 -0.033 0.000 1.258 125 G CA 0.535 45.615 45.100 -0.032 0.000 1.002 125 G HN 0.273 nan 8.290 nan 0.000 0.551 126 L N 0.426 121.634 121.223 -0.024 0.000 2.081 126 L HA -0.143 4.197 4.340 -0.000 0.000 0.212 126 L C 3.032 179.893 176.870 -0.015 0.000 1.080 126 L CA 2.346 57.174 54.840 -0.020 0.000 0.754 126 L CB -0.529 41.519 42.059 -0.017 0.000 0.893 126 L HN 0.554 nan 8.230 nan 0.000 0.433 127 K N -0.077 120.316 120.400 -0.011 0.000 2.097 127 K HA -0.135 4.185 4.320 -0.000 0.000 0.206 127 K C 2.202 178.811 176.600 0.016 0.000 1.049 127 K CA 1.346 57.632 56.287 -0.003 0.000 0.933 127 K CB -0.219 32.280 32.500 -0.001 0.000 0.717 127 K HN 0.316 nan 8.250 nan 0.000 0.442 128 A N 0.825 123.650 122.820 0.007 0.000 1.970 128 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 128 A C 2.298 179.911 177.584 0.049 0.000 1.170 128 A CA 0.843 52.895 52.037 0.023 0.000 0.645 128 A CB -0.327 18.654 19.000 -0.030 0.000 0.816 128 A HN 0.044 nan 8.150 nan 0.000 0.447 129 V N -0.476 119.438 119.914 0.001 0.000 2.343 129 V HA 0.175 4.295 4.120 -0.000 0.000 0.247 129 V C 1.596 177.811 176.094 0.202 0.000 1.051 129 V CA 1.221 63.549 62.300 0.046 0.000 1.036 129 V CB -1.856 29.970 31.823 0.004 0.000 0.654 129 V HN 1.241 nan 8.190 nan 0.000 0.451 130 G N 0.466 109.317 108.800 0.084 0.000 2.746 130 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.685 130 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.685 130 G C -1.877 172.962 174.900 -0.101 0.000 1.350 130 G CA -0.101 45.004 45.100 0.009 0.000 0.837 130 G HN 0.303 nan 8.290 nan 0.000 0.564 131 P HA 0.281 nan 4.420 nan 0.000 0.263 131 P C -0.161 176.882 177.300 -0.428 0.000 1.448 131 P CA 0.425 63.288 63.100 -0.395 0.000 0.983 131 P CB -0.011 31.402 31.700 -0.479 0.000 1.481 132 Y N -1.578 118.711 120.300 -0.017 0.000 2.612 132 Y HA 0.147 4.697 4.550 -0.000 0.000 0.250 132 Y C 2.034 177.908 175.900 -0.043 0.000 1.175 132 Y CA -0.338 57.724 58.100 -0.065 0.000 1.205 132 Y CB -0.179 38.130 38.460 -0.250 0.000 1.201 132 Y HN -0.272 nan 8.280 nan 0.000 0.532 133 V N -1.415 118.581 119.914 0.137 0.000 2.488 133 V HA -0.187 3.933 4.120 -0.000 0.000 0.246 133 V C 2.085 178.242 176.094 0.106 0.000 1.046 133 V CA 1.444 63.831 62.300 0.145 0.000 1.053 133 V CB -0.637 31.322 31.823 0.226 0.000 0.679 133 V HN 0.217 nan 8.190 nan 0.000 0.458 134 V N 1.416 121.391 119.914 0.101 0.000 2.252 134 V HA -0.305 3.815 4.120 -0.000 0.000 0.249 134 V C 2.852 178.990 176.094 0.074 0.000 1.056 134 V CA 2.767 65.118 62.300 0.083 0.000 1.022 134 V CB -1.435 30.433 31.823 0.074 0.000 0.641 134 V HN 0.813 nan 8.190 nan 0.000 0.445 135 T N -1.974 112.639 114.554 0.097 0.000 2.962 135 T HA -0.168 4.182 4.350 -0.000 0.000 0.270 135 T C 1.699 176.410 174.700 0.018 0.000 1.088 135 T CA 1.319 63.463 62.100 0.074 0.000 1.127 135 T CB -0.250 68.705 68.868 0.144 0.000 0.883 135 T HN 0.508 nan 8.240 nan 0.000 0.493 136 K N 1.021 121.400 120.400 -0.035 0.000 2.098 136 K HA 0.358 4.678 4.320 -0.000 0.000 0.203 136 K C 2.684 179.278 176.600 -0.009 0.000 1.051 136 K CA 0.903 57.102 56.287 -0.146 0.000 0.957 136 K CB -0.145 32.052 32.500 -0.506 0.000 0.738 136 K HN 0.403 nan 8.250 nan 0.000 0.447 137 A N 2.060 124.914 122.820 0.057 0.000 2.030 137 A HA 0.065 4.384 4.320 -0.000 0.000 0.215 137 A C 1.282 178.910 177.584 0.073 0.000 1.164 137 A CA -0.035 52.063 52.037 0.102 0.000 0.697 137 A CB -0.434 18.645 19.000 0.133 0.000 0.827 137 A HN 0.331 nan 8.150 nan 0.000 0.457 138 M N -1.297 118.338 119.600 0.058 0.000 2.249 138 M HA 0.447 4.927 4.480 -0.000 0.000 0.340 138 M C 0.935 177.265 176.300 0.051 0.000 1.166 138 M CA 0.433 55.764 55.300 0.051 0.000 1.115 138 M CB 0.473 33.100 32.600 0.044 0.000 1.606 138 M HN 0.086 nan 8.290 nan 0.000 0.448 139 A N 2.674 125.525 122.820 0.051 0.000 2.032 139 A HA -0.138 4.182 4.320 -0.000 0.000 0.221 139 A C 2.038 179.657 177.584 0.058 0.000 1.165 139 A CA 2.145 54.215 52.037 0.054 0.000 0.645 139 A CB -0.970 18.061 19.000 0.051 0.000 0.807 139 A HN 1.028 nan 8.150 nan 0.000 0.453 140 S N -0.872 114.861 115.700 0.056 0.000 2.660 140 S HA 0.314 4.784 4.470 -0.000 0.000 0.227 140 S C 1.595 176.227 174.600 0.052 0.000 0.948 140 S CA 0.558 58.795 58.200 0.063 0.000 0.948 140 S CB -0.340 62.901 63.200 0.068 0.000 0.779 140 S HN 0.594 nan 8.310 nan 0.000 0.487 141 G N 2.197 111.024 108.800 0.044 0.000 2.476 141 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.218 141 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.218 141 G C 1.308 176.230 174.900 0.037 0.000 1.164 141 G CA 1.199 46.317 45.100 0.030 0.000 0.768 141 G HN 0.481 nan 8.290 nan 0.000 0.560 142 V N 1.743 121.686 119.914 0.049 0.000 2.332 142 V HA -0.230 3.890 4.120 -0.000 0.000 0.248 142 V C 3.248 179.384 176.094 0.070 0.000 1.055 142 V CA 2.559 64.897 62.300 0.062 0.000 1.038 142 V CB -0.491 31.370 31.823 0.064 0.000 0.651 142 V HN 0.643 nan 8.190 nan 0.000 0.450 143 S N 0.329 116.067 115.700 0.063 0.000 2.388 143 S HA 0.050 4.520 4.470 -0.000 0.000 0.223 143 S C 2.118 176.753 174.600 0.059 0.000 1.034 143 S CA 0.880 59.115 58.200 0.059 0.000 0.963 143 S CB -0.311 62.923 63.200 0.057 0.000 0.827 143 S HN 0.525 nan 8.310 nan 0.000 0.481 144 A N 1.104 123.952 122.820 0.047 0.000 1.877 144 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 144 A C 2.327 179.916 177.584 0.008 0.000 1.186 144 A CA 1.580 53.630 52.037 0.021 0.000 0.620 144 A CB -1.510 17.492 19.000 0.004 0.000 0.822 144 A HN 0.688 nan 8.150 nan 0.000 0.443 145 C N -1.103 118.209 119.300 0.019 0.000 2.491 145 C HA 0.175 4.635 4.460 -0.000 0.000 0.277 145 C C 2.202 177.260 174.990 0.113 0.000 1.455 145 C CA 0.642 59.669 59.018 0.015 0.000 1.758 145 C CB -1.407 26.336 27.740 0.005 0.000 1.745 145 C HN 0.526 nan 8.230 nan 0.000 0.558 146 L N 0.246 121.574 121.223 0.175 0.000 2.433 146 L HA 0.282 4.622 4.340 -0.000 0.000 0.200 146 L C 2.615 179.673 176.870 0.313 0.000 1.059 146 L CA 1.539 56.586 54.840 0.344 0.000 0.835 146 L CB -1.185 41.041 42.059 0.279 0.000 1.076 146 L HN 0.124 nan 8.230 nan 0.000 0.481 147 A N -0.868 122.053 122.820 0.168 0.000 1.978 147 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 147 A C 2.265 179.925 177.584 0.127 0.000 1.170 147 A CA 2.444 54.564 52.037 0.139 0.000 0.636 147 A CB -0.952 18.099 19.000 0.084 0.000 0.810 147 A HN 0.426 nan 8.150 nan 0.000 0.448 148 T N 0.342 114.938 114.554 0.071 0.000 2.698 148 T HA -0.056 4.294 4.350 -0.000 0.000 0.260 148 T C -0.013 174.692 174.700 0.008 0.000 1.044 148 T CA 1.562 63.672 62.100 0.017 0.000 1.149 148 T CB -1.045 67.782 68.868 -0.068 0.000 0.864 148 T HN 0.518 nan 8.240 nan 0.000 0.419 149 P HA 0.005 nan 4.420 nan 0.000 0.221 149 P C 0.873 178.089 177.300 -0.139 0.000 1.150 149 P CA 1.066 64.104 63.100 -0.104 0.000 0.800 149 P CB -0.252 31.361 31.700 -0.144 0.000 0.787 150 F N 0.430 120.423 119.950 0.072 0.000 2.797 150 F HA 0.182 4.709 4.527 -0.000 0.000 0.302 150 F C 0.990 176.814 175.800 0.041 0.000 1.130 150 F CA -0.016 58.017 58.000 0.055 0.000 1.387 150 F CB -0.327 38.649 39.000 -0.041 0.000 1.107 150 F HN -0.208 nan 8.300 nan 0.000 0.577 151 K N 0.292 120.774 120.400 0.137 0.000 3.096 151 K HA -0.228 4.092 4.320 -0.000 0.000 0.266 151 K C -0.410 176.204 176.600 0.023 0.000 1.043 151 K CA 0.046 56.357 56.287 0.039 0.000 0.758 151 K CB -2.046 30.410 32.500 -0.074 0.000 1.260 151 K HN 0.154 nan 8.250 nan 0.000 0.481 152 I N 0.591 121.243 120.570 0.137 0.000 2.634 152 I HA -0.019 4.151 4.170 -0.000 0.000 0.284 152 I C 1.728 177.990 176.117 0.243 0.000 1.124 152 I CA 0.490 61.882 61.300 0.154 0.000 1.417 152 I CB 0.473 38.566 38.000 0.155 0.000 1.396 152 I HN 0.187 nan 8.210 nan 0.000 0.571 153 H N 2.810 121.918 119.070 0.063 0.000 3.046 153 H HA 0.242 4.798 4.556 -0.000 0.000 0.262 153 H C 1.224 176.570 175.328 0.030 0.000 1.044 153 H CA 0.081 56.152 56.048 0.039 0.000 1.209 153 H CB 0.919 30.700 29.762 0.031 0.000 1.507 153 H HN 0.780 nan 8.280 nan 0.000 0.507 154 G N 1.138 110.026 108.800 0.147 0.000 2.735 154 G HA2 0.203 4.163 3.960 -0.000 0.000 0.192 154 G HA3 0.203 4.163 3.960 -0.000 0.000 0.192 154 G C 0.241 175.161 174.900 0.032 0.000 1.547 154 G CA 0.144 45.286 45.100 0.070 0.000 1.080 154 G HN 0.126 nan 8.290 nan 0.000 0.569 155 V N -0.836 119.066 119.914 -0.020 0.000 2.999 155 V HA 0.437 4.557 4.120 -0.000 0.000 0.307 155 V C -0.157 175.845 176.094 -0.154 0.000 1.084 155 V CA 0.006 62.249 62.300 -0.095 0.000 1.155 155 V CB 1.143 32.827 31.823 -0.233 0.000 0.975 155 V HN 0.849 nan 8.190 nan 0.000 0.490 156 N N 2.840 121.427 118.700 -0.188 0.000 2.875 156 N HA 0.425 5.165 4.740 -0.000 0.000 0.253 156 N C -1.189 174.319 175.510 -0.003 0.000 1.296 156 N CA -0.516 52.461 53.050 -0.121 0.000 0.816 156 N CB 0.843 39.334 38.487 0.007 0.000 1.504 156 N HN 1.045 nan 8.380 nan 0.000 0.582 157 Y N -1.239 119.082 120.300 0.036 0.000 2.779 157 Y HA 0.704 5.254 4.550 -0.000 0.000 0.340 157 Y C -1.268 174.651 175.900 0.031 0.000 1.252 157 Y CA -1.215 56.903 58.100 0.029 0.000 1.072 157 Y CB 0.556 39.030 38.460 0.023 0.000 1.343 157 Y HN 0.090 nan 8.280 nan 0.000 0.450 158 S N 2.217 118.111 115.700 0.323 0.000 2.472 158 S HA 0.634 5.104 4.470 -0.000 0.000 0.303 158 S C -0.941 173.791 174.600 0.220 0.000 1.099 158 S CA -0.707 57.621 58.200 0.214 0.000 1.077 158 S CB 1.092 64.369 63.200 0.128 0.000 1.031 158 S HN 0.441 nan 8.310 nan 0.000 0.487 159 I N 2.502 123.187 120.570 0.192 0.000 2.359 159 I HA 0.458 4.628 4.170 -0.000 0.000 0.294 159 I C 0.319 176.505 176.117 0.115 0.000 0.987 159 I CA -0.201 61.185 61.300 0.144 0.000 1.225 159 I CB 1.398 39.496 38.000 0.163 0.000 1.366 159 I HN 0.534 nan 8.210 nan 0.000 0.466 160 S N 3.976 119.728 115.700 0.088 0.000 2.594 160 S HA 0.623 5.093 4.470 -0.000 0.000 0.296 160 S C -0.329 174.326 174.600 0.092 0.000 1.124 160 S CA -0.398 57.856 58.200 0.090 0.000 1.011 160 S CB 0.918 64.162 63.200 0.073 0.000 1.016 160 S HN 0.677 nan 8.310 nan 0.000 0.485 161 S N 3.057 118.835 115.700 0.130 0.000 2.593 161 S HA 0.641 5.111 4.470 -0.000 0.000 0.178 161 S C 0.568 175.253 174.600 0.142 0.000 1.114 161 S CA -0.036 58.256 58.200 0.153 0.000 1.199 161 S CB -0.092 63.264 63.200 0.261 0.000 1.564 161 S HN 1.918 nan 8.310 nan 0.000 0.407 162 A N 0.644 123.523 122.820 0.097 0.000 5.391 162 A HA -0.321 3.999 4.320 -0.000 0.000 0.315 162 A C 1.505 179.098 177.584 0.015 0.000 1.874 162 A CA 1.124 53.189 52.037 0.047 0.000 0.714 162 A CB -2.049 16.977 19.000 0.043 0.000 1.335 162 A HN 1.451 nan 8.150 nan 0.000 0.382 163 C N 0.396 119.680 119.300 -0.026 0.000 2.536 163 C HA 0.469 4.929 4.460 -0.000 0.000 0.285 163 C C 2.254 177.274 174.990 0.051 0.000 1.371 163 C CA 0.835 59.870 59.018 0.029 0.000 1.675 163 C CB -1.865 25.945 27.740 0.117 0.000 1.689 163 C HN 1.358 nan 8.230 nan 0.000 0.589 164 A N -0.648 122.199 122.820 0.044 0.000 2.469 164 A HA 0.179 4.499 4.320 -0.000 0.000 0.245 164 A C 1.789 179.394 177.584 0.034 0.000 1.221 164 A CA 0.457 52.484 52.037 -0.018 0.000 0.946 164 A CB -0.444 18.558 19.000 0.002 0.000 1.049 164 A HN 0.383 nan 8.150 nan 0.000 0.529 165 T N 1.649 116.262 114.554 0.099 0.000 2.493 165 T HA -0.261 4.089 4.350 -0.000 0.000 0.256 165 T C 2.245 176.996 174.700 0.084 0.000 1.195 165 T CA 2.792 64.965 62.100 0.122 0.000 1.183 165 T CB -0.543 68.373 68.868 0.081 0.000 0.863 165 T HN 0.812 nan 8.240 nan 0.000 0.418 166 S N 1.532 117.246 115.700 0.023 0.000 2.500 166 S HA 0.135 4.605 4.470 -0.000 0.000 0.239 166 S C 2.177 176.746 174.600 -0.051 0.000 0.989 166 S CA 0.804 58.997 58.200 -0.011 0.000 0.951 166 S CB -0.437 62.743 63.200 -0.034 0.000 0.759 166 S HN 0.568 nan 8.310 nan 0.000 0.523 167 A N 1.584 124.356 122.820 -0.081 0.000 1.898 167 A HA 0.086 4.406 4.320 -0.000 0.000 0.214 167 A C 1.894 179.403 177.584 -0.125 0.000 1.183 167 A CA 1.069 53.022 52.037 -0.140 0.000 0.622 167 A CB -0.908 17.971 19.000 -0.202 0.000 0.824 167 A HN 0.654 nan 8.150 nan 0.000 0.444 168 H N -1.431 117.652 119.070 0.021 0.000 2.389 168 H HA -0.129 4.427 4.556 -0.000 0.000 0.299 168 H C 2.187 177.492 175.328 -0.038 0.000 1.081 168 H CA 1.382 57.463 56.048 0.054 0.000 1.345 168 H CB -0.158 29.674 29.762 0.118 0.000 1.393 168 H HN 0.531 nan 8.280 nan 0.000 0.520 169 C N 0.300 119.653 119.300 0.088 0.000 2.413 169 C HA -0.145 4.315 4.460 -0.000 0.000 0.276 169 C C 2.686 177.632 174.990 -0.074 0.000 1.248 169 C CA 0.822 59.858 59.018 0.029 0.000 1.742 169 C CB -0.834 26.920 27.740 0.022 0.000 2.017 169 C HN 0.522 nan 8.230 nan 0.000 0.481 170 I N 1.077 121.567 120.570 -0.132 0.000 2.179 170 I HA -0.107 4.063 4.170 -0.000 0.000 0.242 170 I C 2.749 178.665 176.117 -0.335 0.000 1.088 170 I CA 1.855 63.036 61.300 -0.197 0.000 1.357 170 I CB -0.987 36.902 38.000 -0.185 0.000 1.051 170 I HN 0.440 nan 8.210 nan 0.000 0.409 171 G N 0.467 108.900 108.800 -0.612 0.000 2.422 171 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.218 171 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.218 171 G C 1.401 175.886 174.900 -0.692 0.000 1.146 171 G CA 1.066 45.348 45.100 -1.363 0.000 0.769 171 G HN 0.332 nan 8.290 nan 0.000 0.547 172 N N 0.730 119.256 118.700 -0.290 0.000 2.270 172 N HA 0.060 4.800 4.740 -0.000 0.000 0.181 172 N C 2.355 177.842 175.510 -0.039 0.000 1.016 172 N CA 1.296 54.334 53.050 -0.020 0.000 0.870 172 N CB -0.245 38.303 38.487 0.103 0.000 0.979 172 N HN 0.225 nan 8.380 nan 0.000 0.431 173 A N -0.203 122.555 122.820 -0.104 0.000 1.930 173 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 173 A C 2.321 179.844 177.584 -0.102 0.000 1.175 173 A CA 1.311 53.284 52.037 -0.108 0.000 0.627 173 A CB -0.813 18.106 19.000 -0.136 0.000 0.815 173 A HN 0.161 nan 8.150 nan 0.000 0.443 174 V N 0.215 120.053 119.914 -0.127 0.000 2.343 174 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 174 V C 2.373 178.452 176.094 -0.024 0.000 1.051 174 V CA 2.319 64.568 62.300 -0.085 0.000 1.036 174 V CB -0.833 30.931 31.823 -0.099 0.000 0.654 174 V HN 0.646 nan 8.190 nan 0.000 0.451 175 E N -0.604 119.601 120.200 0.008 0.000 2.153 175 E HA -0.236 4.114 4.350 -0.000 0.000 0.194 175 E C 2.367 178.987 176.600 0.033 0.000 0.988 175 E CA 0.969 57.404 56.400 0.057 0.000 0.811 175 E CB -0.102 29.664 29.700 0.110 0.000 0.746 175 E HN 0.565 nan 8.360 nan 0.000 0.466 176 Q N 0.098 119.904 119.800 0.010 0.000 2.079 176 Q HA -0.125 4.215 4.340 -0.000 0.000 0.200 176 Q C 2.232 178.221 176.000 -0.017 0.000 0.974 176 Q CA 0.957 56.761 55.803 0.000 0.000 0.840 176 Q CB -0.131 28.593 28.738 -0.024 0.000 0.898 176 Q HN 0.294 nan 8.270 nan 0.000 0.430 177 I N 1.078 121.627 120.570 -0.035 0.000 2.252 177 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 177 I C 2.349 178.457 176.117 -0.015 0.000 1.102 177 I CA 1.247 62.522 61.300 -0.040 0.000 1.385 177 I CB -0.352 37.613 38.000 -0.059 0.000 1.064 177 I HN 0.184 nan 8.210 nan 0.000 0.414 178 Q N -0.216 119.584 119.800 0.000 0.000 2.170 178 Q HA -0.111 4.229 4.340 -0.000 0.000 0.203 178 Q C 2.143 178.153 176.000 0.017 0.000 0.976 178 Q CA 1.180 56.992 55.803 0.014 0.000 0.858 178 Q CB -0.187 28.570 28.738 0.032 0.000 0.907 178 Q HN 0.472 nan 8.270 nan 0.000 0.433 179 L N -0.720 120.514 121.223 0.018 0.000 2.552 179 L HA 0.074 4.414 4.340 -0.000 0.000 0.227 179 L C 1.187 178.065 176.870 0.013 0.000 1.146 179 L CA 0.448 55.300 54.840 0.020 0.000 0.858 179 L CB -0.135 41.941 42.059 0.027 0.000 0.969 179 L HN 0.444 nan 8.230 nan 0.000 0.451 180 G N 0.122 108.925 108.800 0.005 0.000 2.148 180 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.254 180 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.254 180 G C 1.017 175.917 174.900 0.000 0.000 0.981 180 G CA 0.633 45.734 45.100 0.002 0.000 0.670 180 G HN 0.376 nan 8.290 nan 0.000 0.528 181 K N -0.840 119.560 120.400 0.001 0.000 2.167 181 K HA 0.083 4.403 4.320 -0.000 0.000 0.203 181 K C 1.015 177.608 176.600 -0.012 0.000 1.052 181 K CA 0.890 57.179 56.287 0.003 0.000 0.956 181 K CB 0.029 32.538 32.500 0.015 0.000 0.735 181 K HN 0.442 nan 8.250 nan 0.000 0.451 182 Q N -0.259 119.521 119.800 -0.034 0.000 2.421 182 Q HA 0.142 4.482 4.340 -0.000 0.000 0.280 182 Q C -0.504 175.431 176.000 -0.108 0.000 1.085 182 Q CA -0.356 55.407 55.803 -0.065 0.000 0.807 182 Q CB 1.997 30.690 28.738 -0.076 0.000 1.405 182 Q HN -0.034 nan 8.270 nan 0.000 0.419 183 D N 0.304 120.602 120.400 -0.169 0.000 2.277 183 D HA 0.266 4.906 4.640 -0.000 0.000 0.209 183 D C 0.275 176.359 176.300 -0.361 0.000 0.970 183 D CA 0.851 54.673 54.000 -0.296 0.000 0.874 183 D CB 1.221 41.725 40.800 -0.493 0.000 0.982 183 D HN 0.369 nan 8.370 nan 0.000 0.504 184 I N 0.447 120.828 120.570 -0.314 0.000 2.656 184 I HA 0.252 4.422 4.170 -0.000 0.000 0.292 184 I C -1.277 174.643 176.117 -0.329 0.000 1.144 184 I CA -0.797 60.284 61.300 -0.364 0.000 1.038 184 I CB 3.387 41.122 38.000 -0.442 0.000 1.244 184 I HN -0.426 nan 8.210 nan 0.000 0.420 185 V N 5.542 125.227 119.914 -0.382 0.000 2.567 185 V HA 0.374 4.494 4.120 -0.000 0.000 0.298 185 V C -0.727 175.157 176.094 -0.349 0.000 1.047 185 V CA -0.572 61.559 62.300 -0.282 0.000 0.880 185 V CB 1.652 33.366 31.823 -0.181 0.000 1.009 185 V HN 0.389 nan 8.190 nan 0.000 0.429 186 F N 3.475 123.323 119.950 -0.170 0.000 2.472 186 F HA 0.663 5.190 4.527 -0.000 0.000 0.364 186 F C 0.781 176.482 175.800 -0.165 0.000 1.090 186 F CA 0.157 58.041 58.000 -0.195 0.000 1.188 186 F CB 1.038 39.883 39.000 -0.260 0.000 1.105 186 F HN 0.591 nan 8.300 nan 0.000 0.536 187 A N 2.432 125.240 122.820 -0.019 0.000 2.435 187 A HA 0.948 5.268 4.320 -0.000 0.000 0.304 187 A C 0.022 177.575 177.584 -0.051 0.000 1.064 187 A CA 0.070 52.078 52.037 -0.048 0.000 0.727 187 A CB 1.588 20.533 19.000 -0.092 0.000 1.284 187 A HN 1.081 nan 8.150 nan 0.000 0.415 188 G N -0.487 108.288 108.800 -0.041 0.000 2.534 188 G HA2 0.697 4.657 3.960 -0.000 0.000 0.142 188 G HA3 0.697 4.657 3.960 -0.000 0.000 0.142 188 G C 0.082 174.973 174.900 -0.015 0.000 1.178 188 G CA 0.620 45.693 45.100 -0.045 0.000 1.037 188 G HN 2.603 nan 8.290 nan 0.000 0.474 189 G N -2.065 106.731 108.800 -0.007 0.000 2.317 189 G HA2 0.770 4.730 3.960 -0.000 0.000 0.293 189 G HA3 0.770 4.730 3.960 -0.000 0.000 0.293 189 G C -0.367 174.557 174.900 0.041 0.000 1.287 189 G CA 0.898 46.013 45.100 0.024 0.000 0.850 189 G HN 2.251 nan 8.290 nan 0.000 0.515 190 G N -1.367 107.475 108.800 0.069 0.000 2.649 190 G HA2 0.730 4.690 3.960 -0.000 0.000 0.290 190 G HA3 0.730 4.690 3.960 -0.000 0.000 0.290 190 G C -1.885 173.085 174.900 0.117 0.000 1.426 190 G CA -0.066 45.105 45.100 0.117 0.000 0.794 190 G HN 0.818 nan 8.290 nan 0.000 0.483 191 E N -0.530 119.773 120.200 0.172 0.000 2.354 191 E HA 0.376 4.726 4.350 -0.000 0.000 0.283 191 E C -0.331 176.398 176.600 0.215 0.000 0.938 191 E CA -0.667 55.814 56.400 0.135 0.000 0.777 191 E CB 1.622 31.362 29.700 0.065 0.000 1.222 191 E HN 0.710 nan 8.360 nan 0.000 0.423 192 E N 2.851 123.143 120.200 0.153 0.000 2.342 192 E HA 0.475 4.825 4.350 -0.000 0.000 0.257 192 E C -0.786 175.880 176.600 0.110 0.000 1.150 192 E CA -0.882 55.612 56.400 0.157 0.000 0.926 192 E CB 1.197 30.933 29.700 0.061 0.000 1.074 192 E HN 0.242 nan 8.360 nan 0.000 0.449 193 L N 1.740 123.002 121.223 0.066 0.000 2.372 193 L HA 0.467 4.807 4.340 -0.000 0.000 0.274 193 L C -1.390 175.507 176.870 0.046 0.000 0.988 193 L CA -0.362 54.474 54.840 -0.007 0.000 0.833 193 L CB 0.966 42.875 42.059 -0.249 0.000 1.236 193 L HN 0.940 nan 8.230 nan 0.000 0.410 194 C N 2.042 121.432 119.300 0.150 0.000 3.239 194 C HA 0.451 4.911 4.460 -0.000 0.000 0.329 194 C C 1.078 176.183 174.990 0.190 0.000 1.252 194 C CA -0.948 58.163 59.018 0.154 0.000 1.323 194 C CB 0.701 28.393 27.740 -0.079 0.000 1.663 194 C HN 1.055 nan 8.230 nan 0.000 0.487 195 W N 0.859 122.285 121.300 0.209 0.000 2.374 195 W HA 0.015 4.674 4.660 -0.000 0.000 0.288 195 W C 1.034 177.628 176.519 0.125 0.000 1.218 195 W CA 1.757 59.190 57.345 0.147 0.000 1.245 195 W CB -1.037 28.468 29.460 0.076 0.000 1.126 195 W HN 0.870 nan 8.180 nan 0.000 0.545 196 E N 0.757 120.429 120.200 -0.881 0.000 2.097 196 E HA -0.260 4.090 4.350 -0.000 0.000 0.196 196 E C 2.354 178.830 176.600 -0.205 0.000 1.000 196 E CA 2.709 58.609 56.400 -0.832 0.000 0.804 196 E CB -0.632 28.579 29.700 -0.814 0.000 0.740 196 E HN 0.328 nan 8.360 nan 0.000 0.454 197 M N -0.817 118.751 119.600 -0.055 0.000 2.429 197 M HA 0.108 4.588 4.480 -0.000 0.000 0.265 197 M C 2.111 178.575 176.300 0.272 0.000 1.120 197 M CA 1.077 56.437 55.300 0.101 0.000 1.173 197 M CB 0.098 32.788 32.600 0.150 0.000 1.343 197 M HN 0.178 nan 8.290 nan 0.000 0.464 198 A N 0.561 123.578 122.820 0.329 0.000 1.908 198 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 198 A C 2.283 180.090 177.584 0.371 0.000 1.181 198 A CA 1.906 54.202 52.037 0.431 0.000 0.627 198 A CB -1.783 17.433 19.000 0.361 0.000 0.818 198 A HN 0.864 nan 8.150 nan 0.000 0.445 199 C N -0.428 119.052 119.300 0.301 0.000 2.422 199 C HA -0.028 4.432 4.460 -0.000 0.000 0.286 199 C C 2.034 177.122 174.990 0.163 0.000 1.412 199 C CA 0.939 60.105 59.018 0.247 0.000 1.786 199 C CB -1.554 26.374 27.740 0.313 0.000 1.835 199 C HN 0.657 nan 8.230 nan 0.000 0.533 200 E N 0.097 120.363 120.200 0.109 0.000 2.158 200 E HA -0.026 4.324 4.350 -0.000 0.000 0.191 200 E C 1.625 178.170 176.600 -0.091 0.000 0.982 200 E CA 1.094 57.469 56.400 -0.041 0.000 0.823 200 E CB -0.268 29.331 29.700 -0.169 0.000 0.766 200 E HN 0.747 nan 8.360 nan 0.000 0.468 201 F N 1.350 121.382 119.950 0.136 0.000 2.234 201 F HA -0.080 4.447 4.527 -0.000 0.000 0.296 201 F C 2.189 178.016 175.800 0.046 0.000 1.089 201 F CA 0.859 58.937 58.000 0.131 0.000 1.343 201 F CB -0.026 39.060 39.000 0.144 0.000 1.040 201 F HN -0.054 nan 8.300 nan 0.000 0.498 202 D N 0.299 120.828 120.400 0.214 0.000 2.117 202 D HA -0.119 4.521 4.640 -0.000 0.000 0.198 202 D C 2.291 178.640 176.300 0.083 0.000 0.982 202 D CA 1.230 55.299 54.000 0.114 0.000 0.828 202 D CB -0.219 40.648 40.800 0.113 0.000 0.967 202 D HN 0.153 nan 8.370 nan 0.000 0.464 203 A N 0.802 123.671 122.820 0.081 0.000 2.076 203 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 203 A C 2.136 179.743 177.584 0.039 0.000 1.160 203 A CA 1.780 53.848 52.037 0.052 0.000 0.653 203 A CB -0.744 18.282 19.000 0.043 0.000 0.801 203 A HN 0.528 nan 8.150 nan 0.000 0.455 204 M N -3.379 116.253 119.600 0.053 0.000 2.404 204 M HA 0.484 4.964 4.480 -0.000 0.000 0.271 204 M C 0.928 177.264 176.300 0.060 0.000 1.128 204 M CA 0.499 55.826 55.300 0.046 0.000 0.982 204 M CB 0.043 32.669 32.600 0.043 0.000 1.445 204 M HN 0.550 nan 8.290 nan 0.000 0.495 205 G N 1.193 110.025 108.800 0.055 0.000 2.225 205 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.267 205 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.267 205 G C 0.721 175.641 174.900 0.033 0.000 1.024 205 G CA 0.477 45.599 45.100 0.037 0.000 0.784 205 G HN 0.811 nan 8.290 nan 0.000 0.507 206 A N -1.107 121.739 122.820 0.043 0.000 2.132 206 A HA 0.642 4.962 4.320 -0.000 0.000 0.213 206 A C 1.230 178.577 177.584 -0.394 0.000 1.154 206 A CA 0.589 52.611 52.037 -0.024 0.000 0.753 206 A CB 0.207 19.347 19.000 0.233 0.000 0.826 206 A HN 0.614 nan 8.150 nan 0.000 0.469 207 L N 0.091 121.133 121.223 -0.301 0.000 2.343 207 L HA 0.351 4.691 4.340 -0.000 0.000 0.275 207 L C 0.747 177.536 176.870 -0.136 0.000 1.056 207 L CA -0.599 54.032 54.840 -0.348 0.000 0.804 207 L CB 1.632 43.575 42.059 -0.194 0.000 1.203 207 L HN 0.169 nan 8.230 nan 0.000 0.440 208 S N 0.238 115.888 115.700 -0.082 0.000 2.549 208 S HA 0.134 4.604 4.470 -0.000 0.000 0.286 208 S C 0.752 175.367 174.600 0.026 0.000 1.314 208 S CA 0.246 58.467 58.200 0.035 0.000 1.062 208 S CB 0.472 63.731 63.200 0.098 0.000 0.865 208 S HN 0.832 nan 8.310 nan 0.000 0.498 209 T N 1.231 115.799 114.554 0.023 0.000 3.080 209 T HA 0.335 4.685 4.350 -0.000 0.000 0.280 209 T C 0.903 175.544 174.700 -0.099 0.000 0.926 209 T CA -0.467 61.598 62.100 -0.058 0.000 0.883 209 T CB -0.117 68.704 68.868 -0.078 0.000 1.194 209 T HN 0.597 nan 8.240 nan 0.000 0.541 210 K N 0.280 120.618 120.400 -0.103 0.000 2.400 210 K HA 0.209 4.529 4.320 -0.000 0.000 0.194 210 K C -0.217 176.065 176.600 -0.531 0.000 1.033 210 K CA 0.489 56.563 56.287 -0.355 0.000 1.021 210 K CB 0.121 32.300 32.500 -0.535 0.000 0.808 210 K HN 0.462 nan 8.250 nan 0.000 0.505 211 Y N 0.101 120.392 120.300 -0.015 0.000 2.734 211 Y HA 0.210 4.760 4.550 -0.000 0.000 0.278 211 Y C 0.739 176.656 175.900 0.028 0.000 1.108 211 Y CA -0.689 57.414 58.100 0.006 0.000 1.211 211 Y CB -0.067 38.405 38.460 0.019 0.000 1.182 211 Y HN -0.025 nan 8.280 nan 0.000 0.547 212 N N 0.646 119.405 118.700 0.098 0.000 2.443 212 N HA -0.153 4.587 4.740 -0.000 0.000 0.184 212 N C 0.845 176.468 175.510 0.190 0.000 1.037 212 N CA 1.246 54.391 53.050 0.157 0.000 0.896 212 N CB 0.101 38.641 38.487 0.088 0.000 0.959 212 N HN 0.516 nan 8.380 nan 0.000 0.442 213 D N -0.594 119.870 120.400 0.107 0.000 2.271 213 D HA -0.007 4.633 4.640 -0.000 0.000 0.206 213 D C 0.546 176.894 176.300 0.079 0.000 0.967 213 D CA 0.821 54.857 54.000 0.061 0.000 0.867 213 D CB 0.257 41.068 40.800 0.018 0.000 0.960 213 D HN 0.285 nan 8.370 nan 0.000 0.509 214 T N -1.268 113.362 114.554 0.128 0.000 3.466 214 T HA 0.335 4.685 4.350 -0.000 0.000 0.297 214 T C -2.257 172.526 174.700 0.138 0.000 1.640 214 T CA -1.773 60.401 62.100 0.122 0.000 1.631 214 T CB 1.751 70.698 68.868 0.132 0.000 0.928 214 T HN -0.288 nan 8.240 nan 0.000 0.688 215 P HA -0.222 nan 4.420 nan 0.000 0.219 215 P C 1.324 178.681 177.300 0.096 0.000 1.161 215 P CA 1.521 64.709 63.100 0.146 0.000 0.909 215 P CB 0.080 31.884 31.700 0.173 0.000 0.793 216 E N -0.811 119.433 120.200 0.073 0.000 2.510 216 E HA -0.146 4.204 4.350 -0.000 0.000 0.202 216 E C 1.211 177.812 176.600 0.001 0.000 1.072 216 E CA 0.697 57.120 56.400 0.039 0.000 0.883 216 E CB -0.267 29.453 29.700 0.033 0.000 0.818 216 E HN 0.465 nan 8.360 nan 0.000 0.548 217 K N -0.646 119.746 120.400 -0.012 0.000 2.402 217 K HA 0.237 4.557 4.320 -0.000 0.000 0.203 217 K C 1.840 178.273 176.600 -0.278 0.000 1.077 217 K CA 0.363 56.588 56.287 -0.103 0.000 1.051 217 K CB 0.744 33.207 32.500 -0.062 0.000 0.907 217 K HN -0.041 nan 8.250 nan 0.000 0.554 218 A N 1.662 124.386 122.820 -0.161 0.000 1.883 218 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 218 A C 1.488 178.952 177.584 -0.201 0.000 1.186 218 A CA 1.364 53.286 52.037 -0.192 0.000 0.624 218 A CB -0.227 18.815 19.000 0.071 0.000 0.822 218 A HN 0.173 nan 8.150 nan 0.000 0.444 219 S N 0.414 116.054 115.700 -0.099 0.000 2.422 219 S HA 0.422 4.892 4.470 -0.000 0.000 0.283 219 S C 0.233 174.764 174.600 -0.115 0.000 1.163 219 S CA -0.580 57.577 58.200 -0.071 0.000 1.054 219 S CB -0.204 62.983 63.200 -0.022 0.000 0.967 219 S HN 0.503 nan 8.310 nan 0.000 0.499 220 R N 2.634 123.058 120.500 -0.128 0.000 2.655 220 R HA 0.246 4.586 4.340 -0.000 0.000 0.261 220 R C -0.679 175.561 176.300 -0.100 0.000 1.624 220 R CA -0.639 55.392 56.100 -0.114 0.000 1.655 220 R CB -0.634 29.578 30.300 -0.148 0.000 1.356 220 R HN 0.371 nan 8.270 nan 0.000 0.684 221 T N 2.294 116.752 114.554 -0.159 0.000 2.905 221 T HA -0.075 4.275 4.350 -0.000 0.000 0.299 221 T C -0.056 174.498 174.700 -0.244 0.000 1.024 221 T CA 0.983 62.880 62.100 -0.337 0.000 1.151 221 T CB -0.065 68.471 68.868 -0.553 0.000 0.987 221 T HN 0.584 nan 8.240 nan 0.000 0.535 222 Y N -1.131 119.172 120.300 0.006 0.000 4.894 222 Y HA -0.204 4.346 4.550 -0.000 0.000 0.270 222 Y C 0.684 176.582 175.900 -0.003 0.000 0.930 222 Y CA 0.503 58.606 58.100 0.005 0.000 1.814 222 Y CB -2.162 36.300 38.460 0.003 0.000 1.235 222 Y HN 0.757 nan 8.280 nan 0.000 0.480 223 D N 0.678 121.137 120.400 0.099 0.000 2.348 223 D HA 0.573 5.213 4.640 -0.000 0.000 0.253 223 D C 1.233 177.544 176.300 0.019 0.000 1.161 223 D CA 0.753 54.789 54.000 0.060 0.000 0.876 223 D CB 1.286 42.113 40.800 0.045 0.000 1.160 223 D HN 0.279 nan 8.370 nan 0.000 0.459 224 A N 4.145 126.928 122.820 -0.061 0.000 2.139 224 A HA -0.196 4.124 4.320 -0.000 0.000 0.221 224 A C 1.166 178.578 177.584 -0.286 0.000 1.159 224 A CA 1.223 53.143 52.037 -0.195 0.000 0.662 224 A CB -0.383 18.428 19.000 -0.314 0.000 0.796 224 A HN 0.728 nan 8.150 nan 0.000 0.463 225 H N -0.189 118.932 119.070 0.086 0.000 2.488 225 H HA 0.118 4.674 4.556 -0.000 0.000 0.294 225 H C 0.326 175.744 175.328 0.150 0.000 1.088 225 H CA -0.109 56.016 56.048 0.128 0.000 1.086 225 H CB -0.163 29.702 29.762 0.172 0.000 1.569 225 H HN 0.709 nan 8.280 nan 0.000 0.548 226 R N 1.545 122.133 120.500 0.146 0.000 2.694 226 R HA 0.097 4.437 4.340 -0.000 0.000 0.268 226 R C -0.353 176.038 176.300 0.152 0.000 1.061 226 R CA 0.102 56.265 56.100 0.105 0.000 1.133 226 R CB 0.471 30.795 30.300 0.040 0.000 1.020 226 R HN 0.050 nan 8.270 nan 0.000 0.475 227 D N 0.058 120.551 120.400 0.155 0.000 3.007 227 D HA 0.221 4.861 4.640 -0.000 0.000 0.363 227 D C -0.031 176.320 176.300 0.084 0.000 1.474 227 D CA -0.008 54.075 54.000 0.139 0.000 0.767 227 D CB 0.323 41.235 40.800 0.187 0.000 1.227 227 D HN 0.946 nan 8.370 nan 0.000 0.471 228 G N 0.503 109.344 108.800 0.068 0.000 2.539 228 G HA2 0.191 4.151 3.960 -0.000 0.000 0.686 228 G HA3 0.191 4.151 3.960 -0.000 0.000 0.686 228 G C -0.421 174.491 174.900 0.019 0.000 1.258 228 G CA -0.697 44.410 45.100 0.011 0.000 0.846 228 G HN 0.372 nan 8.290 nan 0.000 0.647 229 F N -0.416 119.576 119.950 0.071 0.000 2.399 229 F HA 0.771 5.298 4.527 -0.000 0.000 0.313 229 F C 0.407 176.231 175.800 0.040 0.000 1.202 229 F CA -1.451 56.572 58.000 0.038 0.000 1.192 229 F CB 0.930 39.971 39.000 0.068 0.000 1.256 229 F HN 0.411 nan 8.300 nan 0.000 0.558 230 V N 4.106 124.231 119.914 0.352 0.000 2.347 230 V HA 0.244 4.364 4.120 -0.000 0.000 0.280 230 V C 0.289 176.599 176.094 0.361 0.000 1.021 230 V CA -0.857 61.592 62.300 0.248 0.000 0.847 230 V CB 0.981 32.901 31.823 0.162 0.000 0.990 230 V HN 0.844 nan 8.190 nan 0.000 0.444 231 I N 4.763 125.529 120.570 0.327 0.000 2.692 231 I HA 0.488 4.658 4.170 -0.000 0.000 0.284 231 I C 0.501 176.721 176.117 0.172 0.000 1.159 231 I CA 0.516 61.964 61.300 0.247 0.000 1.423 231 I CB 0.842 38.954 38.000 0.186 0.000 1.380 231 I HN 0.786 nan 8.210 nan 0.000 0.580 232 A N 4.937 127.792 122.820 0.059 0.000 2.569 232 A HA 0.873 5.193 4.320 -0.000 0.000 0.290 232 A C -0.599 176.944 177.584 -0.069 0.000 1.136 232 A CA -0.144 51.884 52.037 -0.014 0.000 0.710 232 A CB 1.352 20.347 19.000 -0.009 0.000 1.303 232 A HN 0.826 nan 8.150 nan 0.000 0.413 233 G N -1.722 106.990 108.800 -0.147 0.000 2.714 233 G HA2 0.915 4.875 3.960 -0.000 0.000 0.292 233 G HA3 0.915 4.875 3.960 -0.000 0.000 0.292 233 G C -0.039 174.692 174.900 -0.281 0.000 1.308 233 G CA -0.251 44.770 45.100 -0.131 0.000 0.964 233 G HN 2.267 nan 8.290 nan 0.000 0.484 234 G N -2.058 106.534 108.800 -0.347 0.000 2.340 234 G HA2 0.607 4.567 3.960 -0.000 0.000 0.282 234 G HA3 0.607 4.567 3.960 -0.000 0.000 0.282 234 G C -0.371 174.449 174.900 -0.133 0.000 1.312 234 G CA 0.179 44.943 45.100 -0.561 0.000 0.942 234 G HN 1.944 nan 8.290 nan 0.000 0.495 235 G N -1.837 106.902 108.800 -0.102 0.000 2.684 235 G HA2 1.015 4.975 3.960 -0.000 0.000 0.290 235 G HA3 1.015 4.975 3.960 -0.000 0.000 0.290 235 G C -0.370 174.502 174.900 -0.046 0.000 1.425 235 G CA 0.316 45.427 45.100 0.017 0.000 0.822 235 G HN 2.053 nan 8.290 nan 0.000 0.482 236 G N -1.291 107.481 108.800 -0.046 0.000 2.720 236 G HA2 0.682 4.642 3.960 -0.000 0.000 0.295 236 G HA3 0.682 4.642 3.960 -0.000 0.000 0.295 236 G C -1.709 173.144 174.900 -0.078 0.000 1.437 236 G CA -0.661 44.383 45.100 -0.094 0.000 0.886 236 G HN 0.885 nan 8.290 nan 0.000 0.509 237 M N 1.102 120.646 119.600 -0.095 0.000 2.294 237 M HA 0.544 5.024 4.480 -0.000 0.000 0.280 237 M C -0.925 175.324 176.300 -0.085 0.000 1.085 237 M CA -0.632 54.621 55.300 -0.078 0.000 0.969 237 M CB 2.122 34.676 32.600 -0.078 0.000 1.770 237 M HN 1.109 nan 8.290 nan 0.000 0.485 238 V N 1.999 121.863 119.914 -0.084 0.000 2.864 238 V HA 0.919 5.039 4.120 -0.000 0.000 0.314 238 V C -1.040 174.993 176.094 -0.101 0.000 1.073 238 V CA -0.884 61.356 62.300 -0.101 0.000 0.956 238 V CB 1.939 33.681 31.823 -0.135 0.000 1.023 238 V HN 0.574 nan 8.190 nan 0.000 0.435 239 V N 3.967 123.806 119.914 -0.126 0.000 2.320 239 V HA 0.310 4.429 4.120 -0.000 0.000 0.265 239 V C 0.184 176.131 176.094 -0.245 0.000 1.048 239 V CA -0.365 61.768 62.300 -0.279 0.000 0.865 239 V CB 0.990 32.650 31.823 -0.272 0.000 1.043 239 V HN 0.733 nan 8.190 nan 0.000 0.474 240 V N 5.176 124.926 119.914 -0.274 0.000 2.408 240 V HA 0.373 4.493 4.120 -0.000 0.000 0.267 240 V C 0.189 176.143 176.094 -0.232 0.000 1.047 240 V CA -0.152 62.025 62.300 -0.206 0.000 0.937 240 V CB 1.126 32.840 31.823 -0.181 0.000 0.999 240 V HN 0.955 nan 8.190 nan 0.000 0.472 241 E N 3.031 123.127 120.200 -0.173 0.000 2.288 241 E HA 0.359 4.709 4.350 -0.000 0.000 0.268 241 E C -0.622 175.916 176.600 -0.102 0.000 0.885 241 E CA -0.764 55.537 56.400 -0.165 0.000 0.767 241 E CB 1.687 31.307 29.700 -0.134 0.000 1.220 241 E HN 0.680 nan 8.360 nan 0.000 0.427 242 E N 3.424 123.565 120.200 -0.098 0.000 2.392 242 E HA -0.030 4.320 4.350 -0.000 0.000 0.264 242 E C 0.762 177.366 176.600 0.006 0.000 1.024 242 E CA -0.110 56.266 56.400 -0.040 0.000 0.903 242 E CB 1.167 30.848 29.700 -0.031 0.000 0.963 242 E HN 0.613 nan 8.360 nan 0.000 0.432 243 L N 5.232 126.455 121.223 0.001 0.000 1.971 243 L HA -0.236 4.104 4.340 -0.000 0.000 0.215 243 L C 1.931 178.812 176.870 0.019 0.000 1.072 243 L CA 1.994 56.836 54.840 0.003 0.000 0.758 243 L CB -0.518 41.539 42.059 -0.005 0.000 0.889 243 L HN 0.559 nan 8.230 nan 0.000 0.433 244 E N -1.027 119.188 120.200 0.026 0.000 2.085 244 E HA -0.270 4.080 4.350 -0.000 0.000 0.194 244 E C 2.251 178.870 176.600 0.031 0.000 0.994 244 E CA 1.407 57.819 56.400 0.020 0.000 0.801 244 E CB -0.774 28.938 29.700 0.019 0.000 0.743 244 E HN 0.664 nan 8.360 nan 0.000 0.453 245 H N 0.558 119.612 119.070 -0.027 0.000 2.387 245 H HA -0.037 4.519 4.556 -0.000 0.000 0.299 245 H C 1.772 177.081 175.328 -0.032 0.000 1.099 245 H CA 1.751 57.782 56.048 -0.028 0.000 1.315 245 H CB 0.192 29.934 29.762 -0.033 0.000 1.380 245 H HN 0.132 nan 8.280 nan 0.000 0.513 246 A N 0.851 123.743 122.820 0.120 0.000 1.897 246 A HA -0.019 4.301 4.320 -0.000 0.000 0.215 246 A C 2.870 180.448 177.584 -0.009 0.000 1.181 246 A CA 0.805 52.876 52.037 0.056 0.000 0.620 246 A CB -0.658 18.356 19.000 0.023 0.000 0.821 246 A HN 0.389 nan 8.150 nan 0.000 0.443 247 L N -0.673 120.539 121.223 -0.018 0.000 2.056 247 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 247 L C 3.065 179.908 176.870 -0.045 0.000 1.078 247 L CA 0.980 55.802 54.840 -0.030 0.000 0.749 247 L CB -0.567 41.477 42.059 -0.024 0.000 0.901 247 L HN 0.420 nan 8.230 nan 0.000 0.433 248 A N 1.060 123.839 122.820 -0.067 0.000 1.978 248 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 248 A C 2.200 179.727 177.584 -0.095 0.000 1.170 248 A CA 1.830 53.813 52.037 -0.090 0.000 0.636 248 A CB -0.554 18.365 19.000 -0.134 0.000 0.810 248 A HN 0.592 nan 8.150 nan 0.000 0.448 249 R N -1.132 119.308 120.500 -0.101 0.000 2.388 249 R HA 0.355 4.695 4.340 -0.000 0.000 0.247 249 R C 0.898 177.177 176.300 -0.035 0.000 0.931 249 R CA 0.548 56.605 56.100 -0.073 0.000 1.082 249 R CB -0.750 29.504 30.300 -0.076 0.000 1.135 249 R HN 0.682 nan 8.270 nan 0.000 0.525 250 G N 0.923 109.703 108.800 -0.033 0.000 2.323 250 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.292 250 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.292 250 G C 0.296 175.191 174.900 -0.008 0.000 1.040 250 G CA 0.283 45.371 45.100 -0.020 0.000 0.942 250 G HN 0.722 nan 8.290 nan 0.000 0.506 251 A N -0.386 122.428 122.820 -0.009 0.000 2.366 251 A HA 0.596 4.916 4.320 -0.000 0.000 0.249 251 A C 0.424 178.007 177.584 -0.001 0.000 1.084 251 A CA 0.210 52.248 52.037 0.001 0.000 0.794 251 A CB 0.359 19.357 19.000 -0.003 0.000 1.034 251 A HN 1.331 nan 8.150 nan 0.000 0.491 252 H N 0.722 119.729 119.070 -0.106 0.000 2.620 252 H HA 0.515 5.071 4.556 -0.000 0.000 0.313 252 H C -0.781 174.416 175.328 -0.219 0.000 1.075 252 H CA -0.419 55.518 56.048 -0.184 0.000 1.397 252 H CB 0.145 29.758 29.762 -0.249 0.000 1.446 252 H HN 0.400 nan 8.280 nan 0.000 0.493 253 I N 7.366 127.541 120.570 -0.659 0.000 2.359 253 I HA 0.022 4.192 4.170 -0.000 0.000 0.284 253 I C 0.077 175.825 176.117 -0.615 0.000 1.018 253 I CA -0.524 60.476 61.300 -0.500 0.000 1.173 253 I CB 0.748 38.614 38.000 -0.223 0.000 1.326 253 I HN 0.731 nan 8.210 nan 0.000 0.462 254 Y N 5.119 125.156 120.300 -0.439 0.000 2.145 254 Y HA 0.033 4.583 4.550 -0.000 0.000 0.286 254 Y C 1.351 177.159 175.900 -0.153 0.000 1.145 254 Y CA 1.251 59.193 58.100 -0.263 0.000 1.148 254 Y CB 0.054 38.429 38.460 -0.141 0.000 0.981 254 Y HN 0.687 nan 8.280 nan 0.000 0.507 255 A N -0.995 121.846 122.820 0.035 0.000 2.490 255 A HA 0.422 4.742 4.320 -0.000 0.000 0.292 255 A C -1.472 176.106 177.584 -0.011 0.000 1.047 255 A CA -0.767 51.273 52.037 0.005 0.000 0.632 255 A CB 0.508 19.524 19.000 0.026 0.000 1.323 255 A HN 0.074 nan 8.150 nan 0.000 0.448 256 E N 0.268 120.462 120.200 -0.011 0.000 2.191 256 E HA 0.626 4.976 4.350 -0.000 0.000 0.274 256 E C -1.218 175.377 176.600 -0.007 0.000 0.948 256 E CA -0.641 55.750 56.400 -0.015 0.000 0.802 256 E CB 1.073 30.766 29.700 -0.013 0.000 1.137 256 E HN 0.487 nan 8.360 nan 0.000 0.397 257 I N 6.061 126.623 120.570 -0.013 0.000 2.260 257 I HA 0.019 4.189 4.170 -0.000 0.000 0.297 257 I C 1.140 177.267 176.117 0.017 0.000 1.143 257 I CA -0.261 61.036 61.300 -0.005 0.000 1.271 257 I CB 0.608 38.591 38.000 -0.028 0.000 1.461 257 I HN 0.526 nan 8.210 nan 0.000 0.530 258 V N 2.426 122.356 119.914 0.026 0.000 3.541 258 V HA 0.374 4.494 4.120 -0.000 0.000 0.267 258 V C 0.825 176.952 176.094 0.056 0.000 1.213 258 V CA 0.354 62.674 62.300 0.033 0.000 1.149 258 V CB -0.449 31.388 31.823 0.024 0.000 0.822 258 V HN 0.658 nan 8.190 nan 0.000 0.462 259 G N -0.582 108.263 108.800 0.075 0.000 2.753 259 G HA2 0.536 4.496 3.960 -0.000 0.000 0.297 259 G HA3 0.536 4.496 3.960 -0.000 0.000 0.297 259 G C -2.259 172.748 174.900 0.178 0.000 1.430 259 G CA -0.551 44.613 45.100 0.107 0.000 1.040 259 G HN 0.289 nan 8.290 nan 0.000 0.530 260 Y N 1.435 121.751 120.300 0.026 0.000 2.332 260 Y HA 0.688 5.238 4.550 -0.000 0.000 0.325 260 Y C -0.168 175.754 175.900 0.037 0.000 1.054 260 Y CA -1.388 56.726 58.100 0.024 0.000 1.119 260 Y CB 1.764 40.240 38.460 0.026 0.000 1.168 260 Y HN 0.818 nan 8.280 nan 0.000 0.439 261 G N 3.207 111.938 108.800 -0.115 0.000 2.461 261 G HA2 0.747 4.707 3.960 -0.000 0.000 0.323 261 G HA3 0.747 4.707 3.960 -0.000 0.000 0.323 261 G C -1.678 173.046 174.900 -0.294 0.000 1.229 261 G CA -0.613 44.339 45.100 -0.248 0.000 0.941 261 G HN 1.117 nan 8.290 nan 0.000 0.477 262 A N 1.724 124.369 122.820 -0.293 0.000 2.476 262 A HA 0.861 5.181 4.320 -0.000 0.000 0.280 262 A C 0.007 177.580 177.584 -0.018 0.000 1.081 262 A CA -0.110 51.895 52.037 -0.055 0.000 0.753 262 A CB 1.234 20.188 19.000 -0.078 0.000 1.248 262 A HN 1.507 nan 8.150 nan 0.000 0.424 263 T N -1.474 113.114 114.554 0.058 0.000 2.716 263 T HA 0.867 5.217 4.350 -0.000 0.000 0.286 263 T C -0.288 174.440 174.700 0.047 0.000 1.052 263 T CA -0.522 61.592 62.100 0.022 0.000 1.024 263 T CB 1.717 70.584 68.868 -0.001 0.000 1.349 263 T HN 1.384 nan 8.240 nan 0.000 0.525 264 S N -0.980 114.729 115.700 0.015 0.000 2.547 264 S HA 0.453 4.923 4.470 -0.000 0.000 0.281 264 S C -0.271 174.326 174.600 -0.004 0.000 1.118 264 S CA -0.610 57.600 58.200 0.017 0.000 0.947 264 S CB 1.584 64.790 63.200 0.010 0.000 1.053 264 S HN 0.684 nan 8.310 nan 0.000 0.482 265 D N 2.874 123.271 120.400 -0.005 0.000 2.103 265 D HA 0.149 4.789 4.640 -0.000 0.000 0.199 265 D C 1.409 177.701 176.300 -0.013 0.000 0.978 265 D CA 1.589 55.576 54.000 -0.021 0.000 0.829 265 D CB -0.568 40.217 40.800 -0.026 0.000 0.981 265 D HN 1.100 nan 8.370 nan 0.000 0.464 266 G N 0.111 108.910 108.800 -0.002 0.000 2.298 266 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.287 266 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.287 266 G C 0.528 175.425 174.900 -0.006 0.000 1.075 266 G CA 0.845 45.943 45.100 -0.003 0.000 0.960 266 G HN 0.646 nan 8.290 nan 0.000 0.502 267 A N -0.808 122.009 122.820 -0.004 0.000 1.758 267 A HA 0.695 5.015 4.320 -0.000 0.000 0.172 267 A C 0.351 177.932 177.584 -0.005 0.000 1.924 267 A CA 1.102 53.135 52.037 -0.007 0.000 1.449 267 A CB 0.277 19.270 19.000 -0.012 0.000 1.075 267 A HN 0.588 nan 8.150 nan 0.000 0.777 268 D N -1.205 119.192 120.400 -0.005 0.000 2.198 268 D HA 0.510 5.150 4.640 -0.000 0.000 0.247 268 D C 1.094 177.389 176.300 -0.009 0.000 1.010 268 D CA -0.515 53.479 54.000 -0.010 0.000 0.880 268 D CB 0.905 41.697 40.800 -0.013 0.000 1.209 268 D HN 0.106 nan 8.370 nan 0.000 0.451 269 M N 2.027 121.609 119.600 -0.030 0.000 2.156 269 M HA -0.023 4.457 4.480 -0.000 0.000 0.264 269 M C 1.470 177.705 176.300 -0.108 0.000 1.067 269 M CA 1.195 56.471 55.300 -0.039 0.000 1.131 269 M CB -0.391 32.176 32.600 -0.054 0.000 1.368 269 M HN 0.510 nan 8.290 nan 0.000 0.416 270 V N -3.744 116.048 119.914 -0.203 0.000 3.477 270 V HA 0.615 4.735 4.120 -0.000 0.000 0.297 270 V C 0.442 176.452 176.094 -0.141 0.000 1.433 270 V CA -0.147 61.881 62.300 -0.453 0.000 1.052 270 V CB -0.576 30.834 31.823 -0.688 0.000 0.895 270 V HN 0.141 nan 8.190 nan 0.000 0.438 271 A N 1.933 124.740 122.820 -0.022 0.000 2.365 271 A HA 0.940 5.260 4.320 -0.000 0.000 0.318 271 A C -2.914 174.701 177.584 0.052 0.000 1.091 271 A CA -1.862 50.203 52.037 0.047 0.000 0.763 271 A CB 1.325 20.339 19.000 0.023 0.000 1.248 271 A HN 0.248 nan 8.150 nan 0.000 0.442 272 P HA 0.184 nan 4.420 nan 0.000 0.278 272 P C 0.522 177.800 177.300 -0.036 0.000 1.238 272 P CA -0.106 62.985 63.100 -0.016 0.000 0.794 272 P CB 1.667 33.339 31.700 -0.048 0.000 0.955 273 S N 0.760 116.419 115.700 -0.070 0.000 2.492 273 S HA 0.213 4.683 4.470 -0.000 0.000 0.218 273 S C 1.611 176.170 174.600 -0.068 0.000 1.016 273 S CA 0.840 59.008 58.200 -0.054 0.000 0.916 273 S CB -0.869 62.303 63.200 -0.048 0.000 0.791 273 S HN 0.724 nan 8.310 nan 0.000 0.513 274 G N 2.077 110.804 108.800 -0.121 0.000 2.498 274 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.229 274 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.229 274 G C 0.953 175.793 174.900 -0.100 0.000 1.156 274 G CA 0.608 45.639 45.100 -0.115 0.000 0.680 274 G HN 0.487 nan 8.290 nan 0.000 0.512 275 E N 1.842 121.998 120.200 -0.073 0.000 2.085 275 E HA -0.091 4.259 4.350 -0.000 0.000 0.194 275 E C 2.620 179.178 176.600 -0.070 0.000 0.994 275 E CA 2.299 58.665 56.400 -0.057 0.000 0.801 275 E CB -0.961 28.713 29.700 -0.043 0.000 0.743 275 E HN 0.661 nan 8.360 nan 0.000 0.453 276 G N 0.730 109.475 108.800 -0.091 0.000 2.402 276 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.216 276 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.216 276 G C 1.744 176.579 174.900 -0.107 0.000 1.162 276 G CA 1.279 46.325 45.100 -0.090 0.000 0.777 276 G HN 0.427 nan 8.290 nan 0.000 0.539 277 A N 0.138 122.835 122.820 -0.205 0.000 1.933 277 A HA 0.096 4.416 4.320 -0.000 0.000 0.218 277 A C 2.596 180.164 177.584 -0.026 0.000 1.175 277 A CA 1.743 53.661 52.037 -0.198 0.000 0.628 277 A CB -0.535 18.201 19.000 -0.440 0.000 0.814 277 A HN 0.245 nan 8.150 nan 0.000 0.444 278 V N -0.026 119.861 119.914 -0.045 0.000 2.261 278 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 278 V C 2.639 178.714 176.094 -0.031 0.000 1.047 278 V CA 2.324 64.608 62.300 -0.027 0.000 1.015 278 V CB -0.810 30.992 31.823 -0.036 0.000 0.642 278 V HN 0.535 nan 8.190 nan 0.000 0.446 279 R N -0.975 119.503 120.500 -0.037 0.000 2.081 279 R HA -0.203 4.137 4.340 -0.000 0.000 0.235 279 R C 2.422 178.704 176.300 -0.029 0.000 1.131 279 R CA 1.746 57.822 56.100 -0.040 0.000 0.960 279 R CB -0.946 29.328 30.300 -0.044 0.000 0.856 279 R HN 0.580 nan 8.270 nan 0.000 0.436 280 C N 0.766 120.064 119.300 -0.003 0.000 2.413 280 C HA -0.108 4.352 4.460 -0.000 0.000 0.276 280 C C 2.616 177.626 174.990 0.033 0.000 1.236 280 C CA 0.970 60.003 59.018 0.025 0.000 1.735 280 C CB -0.689 27.112 27.740 0.102 0.000 2.031 280 C HN 0.462 nan 8.230 nan 0.000 0.474 281 M N 0.085 119.717 119.600 0.052 0.000 2.099 281 M HA -0.128 4.352 4.480 -0.000 0.000 0.262 281 M C 2.264 178.553 176.300 -0.018 0.000 1.067 281 M CA 1.796 57.122 55.300 0.043 0.000 1.124 281 M CB -0.485 32.154 32.600 0.065 0.000 1.353 281 M HN 0.363 nan 8.290 nan 0.000 0.410 282 K N 0.021 120.390 120.400 -0.052 0.000 2.147 282 K HA -0.125 4.195 4.320 -0.000 0.000 0.205 282 K C 1.958 178.549 176.600 -0.015 0.000 1.049 282 K CA 1.211 57.461 56.287 -0.061 0.000 0.936 282 K CB -0.222 32.236 32.500 -0.070 0.000 0.722 282 K HN 0.370 nan 8.250 nan 0.000 0.446 283 M N 0.454 120.039 119.600 -0.026 0.000 2.175 283 M HA -0.102 4.378 4.480 -0.000 0.000 0.264 283 M C 1.970 178.279 176.300 0.014 0.000 1.063 283 M CA 1.521 56.802 55.300 -0.032 0.000 1.119 283 M CB -0.011 32.544 32.600 -0.075 0.000 1.377 283 M HN 0.160 nan 8.290 nan 0.000 0.415 284 A N -0.295 122.536 122.820 0.018 0.000 2.167 284 A HA 0.003 4.323 4.320 -0.000 0.000 0.214 284 A C 1.733 179.354 177.584 0.061 0.000 1.151 284 A CA 0.814 52.881 52.037 0.050 0.000 0.735 284 A CB -0.474 18.564 19.000 0.064 0.000 0.802 284 A HN 0.624 nan 8.150 nan 0.000 0.467 285 M N -1.581 118.047 119.600 0.047 0.000 2.382 285 M HA 0.119 4.599 4.480 -0.000 0.000 0.247 285 M C 0.441 176.767 176.300 0.044 0.000 1.104 285 M CA -0.104 55.215 55.300 0.033 0.000 1.030 285 M CB 0.111 32.700 32.600 -0.018 0.000 1.424 285 M HN 0.458 nan 8.290 nan 0.000 0.486 286 H N 0.654 119.710 119.070 -0.023 0.000 3.091 286 H HA 0.243 4.799 4.556 -0.000 0.000 0.289 286 H C 1.109 176.432 175.328 -0.008 0.000 0.995 286 H CA 1.706 57.742 56.048 -0.021 0.000 1.461 286 H CB 0.093 29.840 29.762 -0.024 0.000 1.510 286 H HN 0.468 nan 8.280 nan 0.000 0.546 287 G N 3.111 111.688 108.800 -0.371 0.000 2.234 287 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.235 287 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.235 287 G C 0.048 174.883 174.900 -0.108 0.000 0.997 287 G CA 0.074 45.023 45.100 -0.252 0.000 0.623 287 G HN 0.674 nan 8.290 nan 0.000 0.514 288 V N 3.324 123.201 119.914 -0.061 0.000 2.403 288 V HA 0.310 4.430 4.120 -0.000 0.000 0.265 288 V C 1.216 177.296 176.094 -0.023 0.000 1.034 288 V CA 0.631 62.919 62.300 -0.021 0.000 1.036 288 V CB 0.940 32.768 31.823 0.009 0.000 1.032 288 V HN 0.530 nan 8.190 nan 0.000 0.478 289 D N 2.557 122.943 120.400 -0.022 0.000 2.324 289 D HA -0.017 4.623 4.640 -0.000 0.000 0.235 289 D C 0.722 177.022 176.300 0.000 0.000 1.095 289 D CA 0.109 54.098 54.000 -0.017 0.000 0.871 289 D CB -0.140 40.647 40.800 -0.021 0.000 0.906 289 D HN 0.604 nan 8.370 nan 0.000 0.522 290 T N -2.764 111.796 114.554 0.011 0.000 2.908 290 T HA 0.601 4.951 4.350 -0.000 0.000 0.290 290 T C -2.784 171.942 174.700 0.042 0.000 1.034 290 T CA -1.780 60.334 62.100 0.023 0.000 1.010 290 T CB 2.435 71.316 68.868 0.023 0.000 1.068 290 T HN -0.162 nan 8.240 nan 0.000 0.481 291 P HA 0.364 nan 4.420 nan 0.000 0.276 291 P C -0.525 176.830 177.300 0.091 0.000 1.244 291 P CA -0.712 62.437 63.100 0.082 0.000 0.801 291 P CB 0.603 32.346 31.700 0.070 0.000 1.006 292 I N 2.805 123.458 120.570 0.138 0.000 2.363 292 I HA 0.024 4.194 4.170 -0.000 0.000 0.292 292 I C 1.254 177.390 176.117 0.032 0.000 1.075 292 I CA 0.282 61.645 61.300 0.104 0.000 1.333 292 I CB -0.089 38.020 38.000 0.181 0.000 1.415 292 I HN 0.301 nan 8.210 nan 0.000 0.502 293 D N 5.069 125.496 120.400 0.045 0.000 2.213 293 D HA -0.090 4.550 4.640 -0.000 0.000 0.205 293 D C 0.145 176.500 176.300 0.091 0.000 0.961 293 D CA 1.427 55.457 54.000 0.050 0.000 0.853 293 D CB 0.340 41.175 40.800 0.058 0.000 0.967 293 D HN 0.537 nan 8.370 nan 0.000 0.496 294 Y N -0.172 120.089 120.300 -0.065 0.000 2.571 294 Y HA 0.491 5.041 4.550 -0.000 0.000 0.341 294 Y C -2.100 173.754 175.900 -0.076 0.000 1.076 294 Y CA -1.256 56.795 58.100 -0.082 0.000 1.029 294 Y CB 1.467 39.879 38.460 -0.080 0.000 1.308 294 Y HN -0.220 nan 8.280 nan 0.000 0.461 295 L N 6.155 126.693 121.223 -1.142 0.000 2.446 295 L HA 0.455 4.795 4.340 -0.000 0.000 0.268 295 L C -1.316 174.934 176.870 -1.034 0.000 0.975 295 L CA -0.513 53.815 54.840 -0.854 0.000 0.848 295 L CB 1.082 42.880 42.059 -0.436 0.000 1.225 295 L HN 0.810 nan 8.230 nan 0.000 0.410 296 N N 3.695 121.956 118.700 -0.732 0.000 2.555 296 N HA 0.091 4.831 4.740 -0.000 0.000 0.244 296 N C -0.160 175.253 175.510 -0.162 0.000 1.114 296 N CA -0.120 52.750 53.050 -0.301 0.000 0.963 296 N CB 0.825 39.302 38.487 -0.016 0.000 1.276 296 N HN 0.728 nan 8.380 nan 0.000 0.510 297 S N 2.345 117.981 115.700 -0.105 0.000 2.580 297 S HA -0.063 4.407 4.470 -0.000 0.000 0.266 297 S C 1.336 175.901 174.600 -0.059 0.000 1.354 297 S CA -0.057 58.127 58.200 -0.027 0.000 1.008 297 S CB 0.925 64.197 63.200 0.119 0.000 0.898 297 S HN 0.727 nan 8.310 nan 0.000 0.555 298 H N 1.771 120.735 119.070 -0.176 0.000 2.395 298 H HA 0.183 4.739 4.556 -0.000 0.000 0.299 298 H C 1.499 176.717 175.328 -0.183 0.000 1.070 298 H CA 1.064 56.959 56.048 -0.255 0.000 1.356 298 H CB -1.078 28.482 29.762 -0.336 0.000 1.401 298 H HN 1.027 nan 8.280 nan 0.000 0.524 299 G N 0.961 109.681 108.800 -0.134 0.000 2.816 299 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.341 299 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.341 299 G C 0.995 175.638 174.900 -0.429 0.000 0.171 299 G CA 1.017 45.942 45.100 -0.291 0.000 1.218 299 G HN 0.748 nan 8.290 nan 0.000 0.433 300 T N -0.918 113.405 114.554 -0.384 0.000 3.081 300 T HA 0.390 4.740 4.350 -0.000 0.000 0.250 300 T C 1.259 175.910 174.700 -0.082 0.000 1.100 300 T CA 0.961 62.871 62.100 -0.316 0.000 1.038 300 T CB 0.316 69.040 68.868 -0.240 0.000 0.962 300 T HN 1.895 nan 8.240 nan 0.000 0.516 301 S N 0.803 116.426 115.700 -0.128 0.000 3.931 301 S HA -0.119 4.351 4.470 -0.000 0.000 0.318 301 S C 0.123 174.744 174.600 0.035 0.000 1.098 301 S CA 0.511 58.665 58.200 -0.077 0.000 0.900 301 S CB -2.112 61.057 63.200 -0.051 0.000 0.886 301 S HN 1.286 nan 8.310 nan 0.000 0.513 302 T N -1.002 113.591 114.554 0.066 0.000 2.885 302 T HA 0.720 5.070 4.350 -0.000 0.000 0.285 302 T C -1.560 173.199 174.700 0.098 0.000 1.019 302 T CA -1.656 60.518 62.100 0.123 0.000 1.010 302 T CB 1.817 70.812 68.868 0.212 0.000 1.022 302 T HN -0.052 nan 8.240 nan 0.000 0.466 303 P HA -0.155 nan 4.420 nan 0.000 0.211 303 P C 1.721 179.077 177.300 0.093 0.000 1.181 303 P CA 0.817 63.969 63.100 0.085 0.000 0.929 303 P CB -0.081 31.666 31.700 0.078 0.000 0.789 304 V N -0.400 119.574 119.914 0.100 0.000 2.283 304 V HA -0.139 3.981 4.120 -0.000 0.000 0.243 304 V C 2.590 178.758 176.094 0.123 0.000 1.039 304 V CA 2.453 64.813 62.300 0.099 0.000 1.016 304 V CB -2.025 29.852 31.823 0.089 0.000 0.650 304 V HN 0.211 nan 8.190 nan 0.000 0.449 305 G N 0.241 109.134 108.800 0.155 0.000 2.553 305 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.218 305 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.218 305 G C 1.172 176.188 174.900 0.193 0.000 1.195 305 G CA 1.506 46.724 45.100 0.196 0.000 0.779 305 G HN 0.511 nan 8.290 nan 0.000 0.577 306 D N -0.011 120.478 120.400 0.148 0.000 2.126 306 D HA -0.125 4.514 4.640 -0.000 0.000 0.190 306 D C 2.727 179.197 176.300 0.282 0.000 1.001 306 D CA 1.302 55.398 54.000 0.161 0.000 0.841 306 D CB -0.750 40.075 40.800 0.041 0.000 0.949 306 D HN 0.209 nan 8.370 nan 0.000 0.446 307 V N 0.745 120.783 119.914 0.207 0.000 2.515 307 V HA -0.173 3.947 4.120 -0.000 0.000 0.250 307 V C 2.369 178.541 176.094 0.130 0.000 1.058 307 V CA 1.212 63.611 62.300 0.163 0.000 1.064 307 V CB -0.319 31.572 31.823 0.113 0.000 0.675 307 V HN 0.141 nan 8.190 nan 0.000 0.461 308 K N 0.199 120.672 120.400 0.122 0.000 2.057 308 K HA -0.208 4.112 4.320 -0.000 0.000 0.207 308 K C 2.201 178.855 176.600 0.089 0.000 1.049 308 K CA 1.808 58.144 56.287 0.083 0.000 0.931 308 K CB -0.190 32.347 32.500 0.062 0.000 0.714 308 K HN 0.670 nan 8.250 nan 0.000 0.440 309 E N 0.695 120.990 120.200 0.159 0.000 2.072 309 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 309 E C 2.172 178.881 176.600 0.183 0.000 0.985 309 E CA 0.785 57.312 56.400 0.212 0.000 0.801 309 E CB -0.039 29.895 29.700 0.391 0.000 0.750 309 E HN 0.168 nan 8.360 nan 0.000 0.452 310 L N 0.619 121.946 121.223 0.173 0.000 2.042 310 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 310 L C 2.764 179.681 176.870 0.078 0.000 1.076 310 L CA 1.254 56.152 54.840 0.097 0.000 0.749 310 L CB -0.643 41.444 42.059 0.047 0.000 0.893 310 L HN 0.254 nan 8.230 nan 0.000 0.432 311 A N 0.003 122.867 122.820 0.074 0.000 1.940 311 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 311 A C 2.532 180.151 177.584 0.058 0.000 1.176 311 A CA 1.821 53.890 52.037 0.054 0.000 0.631 311 A CB -0.668 18.357 19.000 0.042 0.000 0.814 311 A HN 0.426 nan 8.150 nan 0.000 0.446 312 A N -0.173 122.686 122.820 0.065 0.000 1.930 312 A HA -0.032 4.288 4.320 -0.000 0.000 0.217 312 A C 2.103 179.754 177.584 0.112 0.000 1.175 312 A CA 1.420 53.493 52.037 0.060 0.000 0.627 312 A CB -0.548 18.475 19.000 0.038 0.000 0.815 312 A HN 0.498 nan 8.150 nan 0.000 0.443 313 I N -0.892 119.777 120.570 0.165 0.000 2.252 313 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 313 I C 2.753 179.045 176.117 0.292 0.000 1.102 313 I CA 1.176 62.644 61.300 0.279 0.000 1.385 313 I CB -0.342 37.777 38.000 0.197 0.000 1.064 313 I HN 0.294 nan 8.210 nan 0.000 0.414 314 R N 0.444 121.036 120.500 0.154 0.000 2.081 314 R HA -0.220 4.120 4.340 -0.000 0.000 0.235 314 R C 2.229 178.593 176.300 0.106 0.000 1.131 314 R CA 1.539 57.711 56.100 0.121 0.000 0.960 314 R CB -0.353 29.985 30.300 0.063 0.000 0.856 314 R HN 0.243 nan 8.270 nan 0.000 0.436 315 E N 0.750 120.994 120.200 0.074 0.000 2.153 315 E HA -0.129 4.221 4.350 -0.000 0.000 0.194 315 E C 1.718 178.317 176.600 -0.002 0.000 0.988 315 E CA 1.188 57.607 56.400 0.031 0.000 0.811 315 E CB 0.022 29.732 29.700 0.016 0.000 0.746 315 E HN 0.076 nan 8.360 nan 0.000 0.466 316 V N -0.531 119.377 119.914 -0.011 0.000 2.331 316 V HA -0.089 4.031 4.120 -0.000 0.000 0.242 316 V C 1.734 177.635 176.094 -0.321 0.000 1.034 316 V CA 1.648 63.819 62.300 -0.215 0.000 1.027 316 V CB -0.466 31.125 31.823 -0.387 0.000 0.667 316 V HN 0.227 nan 8.190 nan 0.000 0.457 317 F N 0.193 120.146 119.950 0.006 0.000 2.698 317 F HA 0.491 5.018 4.527 -0.000 0.000 0.295 317 F C 1.844 177.645 175.800 0.001 0.000 1.124 317 F CA 0.651 58.653 58.000 0.003 0.000 1.426 317 F CB -0.670 38.329 39.000 -0.001 0.000 1.120 317 F HN 0.279 nan 8.300 nan 0.000 0.583 318 G N 0.861 109.758 108.800 0.161 0.000 2.565 318 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.295 318 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.295 318 G C 0.679 175.634 174.900 0.092 0.000 1.165 318 G CA 0.521 45.677 45.100 0.093 0.000 0.977 318 G HN 0.249 nan 8.290 nan 0.000 0.546 319 D N 1.476 121.917 120.400 0.068 0.000 2.340 319 D HA 0.100 4.740 4.640 -0.000 0.000 0.220 319 D C 1.109 177.442 176.300 0.054 0.000 1.039 319 D CA 0.542 54.571 54.000 0.049 0.000 0.866 319 D CB 0.129 40.949 40.800 0.033 0.000 0.913 319 D HN 0.205 nan 8.370 nan 0.000 0.523 320 K N 0.931 121.388 120.400 0.095 0.000 3.095 320 K HA 0.111 4.431 4.320 -0.000 0.000 0.220 320 K C 0.069 176.713 176.600 0.073 0.000 1.216 320 K CA -0.264 56.079 56.287 0.094 0.000 1.167 320 K CB 0.543 33.120 32.500 0.127 0.000 1.199 320 K HN -0.136 nan 8.250 nan 0.000 0.458 321 S N 3.126 118.821 115.700 -0.009 0.000 2.549 321 S HA 0.154 4.624 4.470 -0.000 0.000 0.286 321 S C -1.828 172.606 174.600 -0.276 0.000 1.314 321 S CA -0.683 57.401 58.200 -0.195 0.000 1.062 321 S CB 0.272 63.395 63.200 -0.128 0.000 0.865 321 S HN 0.199 nan 8.310 nan 0.000 0.498 322 P HA 0.356 nan 4.420 nan 0.000 0.278 322 P C -0.919 176.252 177.300 -0.216 0.000 1.266 322 P CA -0.707 62.194 63.100 -0.331 0.000 0.807 322 P CB 0.628 32.050 31.700 -0.465 0.000 1.094 323 A N 1.454 124.223 122.820 -0.085 0.000 2.511 323 A HA 0.334 4.654 4.320 -0.000 0.000 0.242 323 A C 0.362 177.935 177.584 -0.018 0.000 1.069 323 A CA 0.116 52.156 52.037 0.005 0.000 0.763 323 A CB -0.847 18.224 19.000 0.117 0.000 1.001 323 A HN 0.454 nan 8.150 nan 0.000 0.498 324 I N 1.357 121.911 120.570 -0.028 0.000 2.569 324 I HA 0.537 4.707 4.170 -0.000 0.000 0.296 324 I C 0.176 176.344 176.117 0.086 0.000 1.028 324 I CA -0.295 60.960 61.300 -0.075 0.000 1.082 324 I CB 2.276 40.192 38.000 -0.139 0.000 1.264 324 I HN 0.601 nan 8.210 nan 0.000 0.429 325 S N 3.470 119.250 115.700 0.134 0.000 2.546 325 S HA 0.764 5.234 4.470 -0.000 0.000 0.272 325 S C -1.179 173.526 174.600 0.174 0.000 1.140 325 S CA -0.450 57.888 58.200 0.230 0.000 0.920 325 S CB 1.729 65.159 63.200 0.382 0.000 1.083 325 S HN 0.682 nan 8.310 nan 0.000 0.476 326 A N 3.139 126.053 122.820 0.156 0.000 2.654 326 A HA 0.479 4.799 4.320 -0.000 0.000 0.345 326 A C 1.182 178.750 177.584 -0.027 0.000 1.368 326 A CA -0.020 52.039 52.037 0.037 0.000 0.895 326 A CB -0.411 18.551 19.000 -0.063 0.000 1.143 326 A HN 1.106 nan 8.150 nan 0.000 0.490 327 T N -0.586 113.951 114.554 -0.030 0.000 2.977 327 T HA -0.146 4.204 4.350 -0.000 0.000 0.271 327 T C 1.397 176.011 174.700 -0.143 0.000 1.105 327 T CA 1.475 63.508 62.100 -0.112 0.000 1.116 327 T CB -0.365 68.385 68.868 -0.197 0.000 0.878 327 T HN 0.588 nan 8.240 nan 0.000 0.509 328 K N 0.973 121.291 120.400 -0.137 0.000 2.280 328 K HA 0.147 4.467 4.320 -0.000 0.000 0.202 328 K C 2.632 179.162 176.600 -0.117 0.000 1.047 328 K CA 0.864 57.060 56.287 -0.152 0.000 0.942 328 K CB -0.393 31.954 32.500 -0.254 0.000 0.739 328 K HN 0.517 nan 8.250 nan 0.000 0.457 329 A N 1.594 124.346 122.820 -0.113 0.000 2.024 329 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 329 A C 2.038 179.581 177.584 -0.069 0.000 1.164 329 A CA 1.763 53.748 52.037 -0.087 0.000 0.643 329 A CB -0.430 18.528 19.000 -0.070 0.000 0.806 329 A HN 0.442 nan 8.150 nan 0.000 0.451 330 M N -2.710 116.840 119.600 -0.083 0.000 2.449 330 M HA 0.124 4.604 4.480 -0.000 0.000 0.262 330 M C 1.721 177.978 176.300 -0.073 0.000 1.152 330 M CA 1.321 56.576 55.300 -0.074 0.000 1.104 330 M CB -0.283 32.264 32.600 -0.088 0.000 1.416 330 M HN 0.231 nan 8.290 nan 0.000 0.519 331 T N -1.680 112.818 114.554 -0.094 0.000 3.031 331 T HA 0.567 4.917 4.350 -0.000 0.000 0.254 331 T C 1.146 175.836 174.700 -0.016 0.000 1.060 331 T CA 0.671 62.734 62.100 -0.063 0.000 1.135 331 T CB -0.128 68.700 68.868 -0.067 0.000 0.896 331 T HN 0.790 nan 8.240 nan 0.000 0.472 332 G N 0.833 109.623 108.800 -0.018 0.000 2.549 332 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.404 332 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.404 332 G C -1.150 173.758 174.900 0.013 0.000 1.292 332 G CA -0.394 44.725 45.100 0.031 0.000 0.935 332 G HN 0.764 nan 8.290 nan 0.000 0.512 333 H N 0.897 119.916 119.070 -0.085 0.000 2.623 333 H HA 0.612 5.168 4.556 -0.000 0.000 0.299 333 H C 1.525 176.724 175.328 -0.214 0.000 1.052 333 H CA 0.013 55.913 56.048 -0.247 0.000 1.231 333 H CB 0.775 30.196 29.762 -0.568 0.000 1.389 333 H HN 0.817 nan 8.280 nan 0.000 0.469 334 S N 4.804 120.573 115.700 0.115 0.000 2.710 334 S HA 0.106 4.576 4.470 -0.000 0.000 0.224 334 S C 1.435 176.010 174.600 -0.042 0.000 0.948 334 S CA -0.041 58.160 58.200 0.001 0.000 0.949 334 S CB -0.564 62.628 63.200 -0.014 0.000 0.778 334 S HN 0.713 nan 8.310 nan 0.000 0.498 335 L N 0.017 121.155 121.223 -0.141 0.000 4.318 335 L HA -0.370 3.970 4.340 -0.000 0.000 0.053 335 L C 2.326 179.160 176.870 -0.060 0.000 3.708 335 L CA 1.655 56.305 54.840 -0.317 0.000 1.241 335 L CB -2.062 39.793 42.059 -0.339 0.000 3.179 335 L HN 0.460 nan 8.230 nan 0.000 0.854 336 G N -1.308 107.469 108.800 -0.038 0.000 2.443 336 G HA2 0.084 4.044 3.960 -0.000 0.000 0.219 336 G HA3 0.084 4.044 3.960 -0.000 0.000 0.219 336 G C 1.312 176.217 174.900 0.007 0.000 1.131 336 G CA 1.158 46.263 45.100 0.007 0.000 0.775 336 G HN 0.817 nan 8.290 nan 0.000 0.547 337 A N 0.469 123.288 122.820 -0.001 0.000 2.178 337 A HA 0.624 4.944 4.320 -0.000 0.000 0.211 337 A C 2.582 180.138 177.584 -0.047 0.000 1.157 337 A CA 1.312 53.338 52.037 -0.019 0.000 0.780 337 A CB -0.262 18.729 19.000 -0.015 0.000 0.828 337 A HN 0.526 nan 8.150 nan 0.000 0.476 338 A N 0.240 123.048 122.820 -0.020 0.000 1.883 338 A HA 0.031 4.351 4.320 -0.000 0.000 0.217 338 A C 2.398 179.932 177.584 -0.083 0.000 1.186 338 A CA 2.051 54.068 52.037 -0.034 0.000 0.624 338 A CB -1.453 17.552 19.000 0.008 0.000 0.822 338 A HN 0.733 nan 8.150 nan 0.000 0.444 339 G N -0.913 107.843 108.800 -0.073 0.000 2.491 339 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 339 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 339 G C 1.673 176.491 174.900 -0.137 0.000 1.180 339 G CA 1.512 46.549 45.100 -0.105 0.000 0.774 339 G HN 0.655 nan 8.290 nan 0.000 0.562 340 V N 0.058 119.890 119.914 -0.137 0.000 2.453 340 V HA -0.092 4.028 4.120 -0.000 0.000 0.247 340 V C 2.762 178.698 176.094 -0.264 0.000 1.048 340 V CA 2.407 64.606 62.300 -0.170 0.000 1.049 340 V CB -0.225 31.519 31.823 -0.131 0.000 0.672 340 V HN 0.514 nan 8.190 nan 0.000 0.457 341 Q N -0.417 119.199 119.800 -0.307 0.000 2.084 341 Q HA -0.261 4.079 4.340 -0.000 0.000 0.202 341 Q C 2.132 177.550 176.000 -0.969 0.000 0.978 341 Q CA 2.179 57.634 55.803 -0.580 0.000 0.844 341 Q CB -0.120 28.363 28.738 -0.425 0.000 0.898 341 Q HN 0.707 nan 8.270 nan 0.000 0.426 342 E N 0.039 119.952 120.200 -0.478 0.000 2.285 342 E HA -0.069 4.281 4.350 -0.000 0.000 0.194 342 E C 1.755 178.265 176.600 -0.150 0.000 0.997 342 E CA 0.587 56.872 56.400 -0.192 0.000 0.845 342 E CB 0.074 29.768 29.700 -0.010 0.000 0.782 342 E HN 0.322 nan 8.360 nan 0.000 0.491 343 A N 0.780 123.478 122.820 -0.203 0.000 1.929 343 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 343 A C 2.078 179.559 177.584 -0.172 0.000 1.176 343 A CA 0.754 52.702 52.037 -0.148 0.000 0.628 343 A CB -0.310 18.598 19.000 -0.153 0.000 0.816 343 A HN 0.135 nan 8.150 nan 0.000 0.444 344 I N -1.475 118.926 120.570 -0.283 0.000 2.252 344 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 344 I C 2.256 178.275 176.117 -0.162 0.000 1.102 344 I CA 1.131 62.261 61.300 -0.284 0.000 1.385 344 I CB -0.399 37.387 38.000 -0.357 0.000 1.064 344 I HN 0.364 nan 8.210 nan 0.000 0.414 345 Y N 0.853 121.114 120.300 -0.065 0.000 2.165 345 Y HA -0.218 4.332 4.550 -0.000 0.000 0.286 345 Y C 2.940 178.798 175.900 -0.069 0.000 1.155 345 Y CA 0.991 59.061 58.100 -0.049 0.000 1.164 345 Y CB -1.303 37.139 38.460 -0.030 0.000 0.978 345 Y HN 0.102 nan 8.280 nan 0.000 0.513 346 S N 0.063 115.828 115.700 0.108 0.000 2.368 346 S HA -0.139 4.331 4.470 -0.000 0.000 0.225 346 S C 2.158 176.759 174.600 0.002 0.000 1.030 346 S CA 1.163 59.413 58.200 0.083 0.000 0.999 346 S CB -0.633 62.629 63.200 0.103 0.000 0.844 346 S HN 0.355 nan 8.310 nan 0.000 0.459 347 L N 1.008 122.211 121.223 -0.033 0.000 2.083 347 L HA -0.068 4.272 4.340 -0.000 0.000 0.209 347 L C 2.208 179.089 176.870 0.018 0.000 1.083 347 L CA 0.927 55.740 54.840 -0.044 0.000 0.752 347 L CB -0.542 41.411 42.059 -0.178 0.000 0.899 347 L HN 0.290 nan 8.230 nan 0.000 0.433 348 L N -1.086 120.158 121.223 0.034 0.000 2.056 348 L HA -0.213 4.126 4.340 -0.000 0.000 0.207 348 L C 2.632 179.583 176.870 0.136 0.000 1.078 348 L CA 1.281 56.237 54.840 0.193 0.000 0.749 348 L CB -0.324 41.854 42.059 0.198 0.000 0.901 348 L HN 0.312 nan 8.230 nan 0.000 0.433 349 M N -0.836 118.647 119.600 -0.196 0.000 2.175 349 M HA -0.220 4.260 4.480 -0.000 0.000 0.264 349 M C 2.236 178.381 176.300 -0.259 0.000 1.063 349 M CA 1.544 56.471 55.300 -0.623 0.000 1.119 349 M CB -0.265 31.843 32.600 -0.820 0.000 1.377 349 M HN 0.202 nan 8.290 nan 0.000 0.415 350 L N 0.260 121.421 121.223 -0.103 0.000 2.217 350 L HA -0.114 4.226 4.340 -0.000 0.000 0.211 350 L C 2.126 179.011 176.870 0.025 0.000 1.107 350 L CA 1.777 56.602 54.840 -0.024 0.000 0.783 350 L CB -0.378 41.688 42.059 0.012 0.000 0.919 350 L HN 0.181 nan 8.230 nan 0.000 0.442 351 E N -1.340 118.903 120.200 0.073 0.000 2.086 351 E HA -0.123 4.227 4.350 -0.000 0.000 0.190 351 E C 1.574 178.111 176.600 -0.105 0.000 0.975 351 E CA 1.213 57.635 56.400 0.038 0.000 0.813 351 E CB -0.061 29.735 29.700 0.159 0.000 0.768 351 E HN 0.593 nan 8.360 nan 0.000 0.457 352 H N -0.856 118.316 119.070 0.168 0.000 2.520 352 H HA 0.279 4.835 4.556 -0.000 0.000 0.284 352 H C 0.304 175.779 175.328 0.244 0.000 1.037 352 H CA 0.395 56.578 56.048 0.225 0.000 1.168 352 H CB 0.407 30.368 29.762 0.331 0.000 1.497 352 H HN 0.266 nan 8.280 nan 0.000 0.547 353 G N 2.170 111.091 108.800 0.201 0.000 2.363 353 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.286 353 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.286 353 G C -0.289 174.753 174.900 0.236 0.000 0.975 353 G CA 0.882 46.067 45.100 0.141 0.000 1.309 353 G HN 0.538 nan 8.290 nan 0.000 0.491 354 F N -1.367 118.567 119.950 -0.027 0.000 2.770 354 F HA 0.747 5.274 4.527 -0.000 0.000 0.313 354 F C -1.207 174.493 175.800 -0.168 0.000 1.154 354 F CA -2.197 55.761 58.000 -0.069 0.000 0.923 354 F CB 0.992 39.967 39.000 -0.043 0.000 1.301 354 F HN 0.111 nan 8.300 nan 0.000 0.449 355 I N 3.021 123.499 120.570 -0.153 0.000 2.411 355 I HA 0.617 4.787 4.170 -0.000 0.000 0.284 355 I C 0.282 176.351 176.117 -0.080 0.000 1.012 355 I CA -1.046 59.995 61.300 -0.432 0.000 1.119 355 I CB 1.474 39.291 38.000 -0.306 0.000 1.261 355 I HN 0.996 nan 8.210 nan 0.000 0.448 356 A N 9.278 132.004 122.820 -0.156 0.000 2.466 356 A HA 0.390 4.710 4.320 -0.000 0.000 0.238 356 A C -2.316 175.297 177.584 0.047 0.000 1.074 356 A CA -0.731 51.383 52.037 0.129 0.000 0.774 356 A CB -0.410 18.634 19.000 0.073 0.000 1.015 356 A HN 0.452 nan 8.150 nan 0.000 0.498 357 P HA 0.151 nan 4.420 nan 0.000 0.282 357 P C -0.475 176.848 177.300 0.038 0.000 1.249 357 P CA -0.243 62.882 63.100 0.041 0.000 0.806 357 P CB 1.322 33.038 31.700 0.026 0.000 0.984 358 S N 3.241 118.977 115.700 0.060 0.000 2.473 358 S HA 0.343 4.812 4.470 -0.000 0.000 0.312 358 S C 0.700 175.330 174.600 0.049 0.000 1.087 358 S CA -0.816 57.428 58.200 0.074 0.000 1.077 358 S CB -1.400 61.885 63.200 0.142 0.000 1.065 358 S HN 0.352 nan 8.310 nan 0.000 0.510 359 I N 1.996 122.576 120.570 0.016 0.000 3.276 359 I HA 0.468 4.638 4.170 -0.000 0.000 0.306 359 I C 0.492 176.608 176.117 -0.001 0.000 1.060 359 I CA -0.626 60.677 61.300 0.004 0.000 1.133 359 I CB 0.238 38.230 38.000 -0.014 0.000 1.473 359 I HN 0.498 nan 8.210 nan 0.000 0.649 360 N N 0.701 119.396 118.700 -0.009 0.000 2.708 360 N HA -0.183 4.557 4.740 -0.000 0.000 0.251 360 N C -0.408 175.101 175.510 -0.000 0.000 1.123 360 N CA 0.987 54.024 53.050 -0.021 0.000 0.739 360 N CB -1.393 37.056 38.487 -0.063 0.000 1.113 360 N HN 0.592 nan 8.380 nan 0.000 0.561 361 I N 1.240 121.826 120.570 0.027 0.000 2.206 361 I HA 0.031 4.201 4.170 -0.000 0.000 0.292 361 I C 1.424 177.570 176.117 0.048 0.000 1.156 361 I CA -0.053 61.276 61.300 0.050 0.000 1.356 361 I CB 0.117 38.159 38.000 0.071 0.000 1.494 361 I HN 0.029 nan 8.210 nan 0.000 0.601 362 E N 3.098 123.332 120.200 0.057 0.000 2.208 362 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 362 E C 0.617 177.264 176.600 0.078 0.000 0.988 362 E CA 0.778 57.219 56.400 0.068 0.000 0.828 362 E CB 0.347 30.100 29.700 0.088 0.000 0.763 362 E HN 0.524 nan 8.360 nan 0.000 0.478 363 E N 0.850 121.099 120.200 0.082 0.000 2.361 363 E HA 0.139 4.489 4.350 -0.000 0.000 0.270 363 E C -1.508 175.112 176.600 0.033 0.000 0.911 363 E CA -0.572 55.864 56.400 0.059 0.000 0.818 363 E CB 0.988 30.733 29.700 0.076 0.000 1.332 363 E HN -0.071 nan 8.360 nan 0.000 0.402 364 L N 4.216 125.457 121.223 0.029 0.000 2.513 364 L HA 0.151 4.491 4.340 -0.000 0.000 0.272 364 L C -0.061 176.817 176.870 0.013 0.000 1.187 364 L CA 0.588 55.445 54.840 0.028 0.000 0.895 364 L CB 0.588 42.655 42.059 0.012 0.000 1.147 364 L HN 0.596 nan 8.230 nan 0.000 0.483 365 D N 2.347 122.765 120.400 0.030 0.000 2.472 365 D HA -0.066 4.574 4.640 -0.000 0.000 0.237 365 D C 1.146 177.451 176.300 0.008 0.000 1.141 365 D CA 0.869 54.880 54.000 0.019 0.000 0.875 365 D CB 0.855 41.694 40.800 0.064 0.000 1.192 365 D HN 0.748 nan 8.370 nan 0.000 0.450 366 E N 1.789 121.989 120.200 0.001 0.000 2.204 366 E HA -0.265 4.085 4.350 -0.000 0.000 0.194 366 E C 1.093 177.694 176.600 0.002 0.000 0.989 366 E CA 0.842 57.242 56.400 0.000 0.000 0.824 366 E CB -0.182 29.519 29.700 0.001 0.000 0.756 366 E HN 0.612 nan 8.360 nan 0.000 0.477 367 Q N 0.095 119.902 119.800 0.012 0.000 2.482 367 Q HA 0.117 4.457 4.340 -0.000 0.000 0.209 367 Q C 1.457 177.457 176.000 0.001 0.000 0.961 367 Q CA 0.648 56.460 55.803 0.015 0.000 0.945 367 Q CB 0.369 29.128 28.738 0.034 0.000 1.012 367 Q HN 0.440 nan 8.270 nan 0.000 0.515 368 A N 0.401 123.210 122.820 -0.018 0.000 2.303 368 A HA 0.429 4.749 4.320 -0.000 0.000 0.217 368 A C 1.016 178.552 177.584 -0.081 0.000 1.205 368 A CA 0.069 52.058 52.037 -0.079 0.000 0.875 368 A CB 0.249 19.181 19.000 -0.113 0.000 0.910 368 A HN 0.284 nan 8.150 nan 0.000 0.501 369 A N -1.309 121.485 122.820 -0.043 0.000 2.429 369 A HA 0.440 4.760 4.320 -0.000 0.000 0.242 369 A C 1.697 179.259 177.584 -0.037 0.000 1.088 369 A CA 0.662 52.678 52.037 -0.036 0.000 0.784 369 A CB -0.542 18.446 19.000 -0.019 0.000 1.038 369 A HN 1.922 nan 8.150 nan 0.000 0.501 370 G N -0.996 107.785 108.800 -0.032 0.000 2.205 370 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.261 370 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.261 370 G C 0.092 174.968 174.900 -0.039 0.000 0.980 370 G CA 0.631 45.715 45.100 -0.027 0.000 0.632 370 G HN 0.785 nan 8.290 nan 0.000 0.533 371 L N -0.293 120.891 121.223 -0.064 0.000 2.332 371 L HA 0.572 4.912 4.340 -0.000 0.000 0.269 371 L C 0.333 177.149 176.870 -0.090 0.000 1.016 371 L CA -1.120 53.667 54.840 -0.089 0.000 0.809 371 L CB 1.544 43.523 42.059 -0.133 0.000 1.280 371 L HN 0.074 nan 8.230 nan 0.000 0.447 372 N N 1.819 120.462 118.700 -0.096 0.000 3.234 372 N HA 0.311 5.051 4.740 -0.000 0.000 0.272 372 N C -0.930 174.536 175.510 -0.074 0.000 1.254 372 N CA -0.159 52.848 53.050 -0.073 0.000 1.087 372 N CB -0.143 38.308 38.487 -0.060 0.000 1.356 372 N HN 0.392 nan 8.380 nan 0.000 0.511 373 I N 2.356 122.875 120.570 -0.086 0.000 2.337 373 I HA 0.114 4.284 4.170 -0.000 0.000 0.291 373 I C 0.324 176.434 176.117 -0.012 0.000 1.046 373 I CA -1.100 60.155 61.300 -0.075 0.000 1.324 373 I CB 0.920 38.831 38.000 -0.149 0.000 1.409 373 I HN 0.136 nan 8.210 nan 0.000 0.494 374 V N 2.889 122.820 119.914 0.029 0.000 2.455 374 V HA 0.268 4.387 4.120 -0.000 0.000 0.273 374 V C 0.959 177.081 176.094 0.046 0.000 1.045 374 V CA -0.081 62.243 62.300 0.039 0.000 0.976 374 V CB 0.760 32.614 31.823 0.053 0.000 0.993 374 V HN 0.898 nan 8.190 nan 0.000 0.475 375 T N 0.783 115.357 114.554 0.033 0.000 3.129 375 T HA 0.445 4.795 4.350 -0.000 0.000 0.267 375 T C 0.144 174.859 174.700 0.025 0.000 1.018 375 T CA -0.180 61.941 62.100 0.034 0.000 0.903 375 T CB -0.423 68.463 68.868 0.030 0.000 1.067 375 T HN 0.827 nan 8.240 nan 0.000 0.549 376 E N 1.017 121.232 120.200 0.025 0.000 2.331 376 E HA 0.368 4.718 4.350 -0.000 0.000 0.275 376 E C -0.957 175.660 176.600 0.028 0.000 0.895 376 E CA -0.858 55.553 56.400 0.019 0.000 0.753 376 E CB 1.867 31.575 29.700 0.012 0.000 1.216 376 E HN 0.098 nan 8.360 nan 0.000 0.434 377 T N 1.692 116.260 114.554 0.023 0.000 2.831 377 T HA 0.060 4.410 4.350 -0.000 0.000 0.291 377 T C -0.510 174.218 174.700 0.047 0.000 0.981 377 T CA 0.510 62.638 62.100 0.046 0.000 1.174 377 T CB -0.173 68.682 68.868 -0.022 0.000 0.929 377 T HN 0.375 nan 8.240 nan 0.000 0.532 378 T N 5.689 120.298 114.554 0.091 0.000 2.841 378 T HA 0.334 4.684 4.350 -0.000 0.000 0.285 378 T C -0.844 173.917 174.700 0.102 0.000 0.991 378 T CA -0.836 61.304 62.100 0.066 0.000 0.966 378 T CB 1.169 70.061 68.868 0.039 0.000 0.962 378 T HN 0.591 nan 8.240 nan 0.000 0.438 379 D N 2.578 123.024 120.400 0.076 0.000 2.343 379 D HA 0.501 5.140 4.640 -0.000 0.000 0.255 379 D C 0.309 176.646 176.300 0.063 0.000 1.187 379 D CA -0.026 54.030 54.000 0.092 0.000 0.875 379 D CB 0.837 41.671 40.800 0.056 0.000 1.136 379 D HN 0.298 nan 8.370 nan 0.000 0.469 380 R N 1.307 121.845 120.500 0.063 0.000 2.663 380 R HA 0.185 4.525 4.340 -0.000 0.000 0.267 380 R C -1.312 175.004 176.300 0.027 0.000 1.038 380 R CA -0.695 55.424 56.100 0.031 0.000 0.886 380 R CB 1.272 31.579 30.300 0.012 0.000 1.249 380 R HN 0.324 nan 8.270 nan 0.000 0.463 381 E N 4.200 124.412 120.200 0.021 0.000 1.986 381 E HA 0.205 4.555 4.350 -0.000 0.000 0.264 381 E C -0.349 176.258 176.600 0.011 0.000 1.023 381 E CA -0.257 56.154 56.400 0.018 0.000 0.834 381 E CB 0.697 30.408 29.700 0.018 0.000 1.111 381 E HN 0.303 nan 8.360 nan 0.000 0.417 382 L N 1.311 122.535 121.223 0.002 0.000 2.453 382 L HA 0.230 4.569 4.340 -0.000 0.000 0.261 382 L C 1.120 177.999 176.870 0.015 0.000 1.179 382 L CA -0.052 54.792 54.840 0.008 0.000 0.813 382 L CB 0.817 42.870 42.059 -0.009 0.000 1.110 382 L HN 0.438 nan 8.230 nan 0.000 0.466 383 T N -1.589 112.980 114.554 0.025 0.000 3.176 383 T HA 0.072 4.422 4.350 -0.000 0.000 0.259 383 T C 0.255 174.973 174.700 0.029 0.000 0.978 383 T CA 0.247 62.361 62.100 0.023 0.000 1.050 383 T CB 0.704 69.585 68.868 0.021 0.000 1.136 383 T HN 0.606 nan 8.240 nan 0.000 0.465 384 T N 3.215 117.793 114.554 0.040 0.000 2.840 384 T HA 0.676 5.026 4.350 -0.000 0.000 0.287 384 T C -0.585 174.153 174.700 0.063 0.000 0.991 384 T CA -0.655 61.474 62.100 0.047 0.000 0.964 384 T CB 1.797 70.694 68.868 0.048 0.000 0.954 384 T HN 0.252 nan 8.240 nan 0.000 0.438 385 V N 1.362 121.316 119.914 0.066 0.000 2.919 385 V HA 0.849 4.969 4.120 -0.000 0.000 0.316 385 V C -0.534 175.581 176.094 0.035 0.000 1.077 385 V CA -1.239 61.110 62.300 0.082 0.000 0.977 385 V CB 2.118 34.033 31.823 0.154 0.000 1.039 385 V HN 0.949 nan 8.190 nan 0.000 0.441 386 M N 2.948 122.533 119.600 -0.024 0.000 2.395 386 M HA 0.699 5.179 4.480 -0.000 0.000 0.307 386 M C -0.997 175.245 176.300 -0.096 0.000 1.091 386 M CA -0.230 55.052 55.300 -0.030 0.000 0.919 386 M CB 2.126 34.738 32.600 0.020 0.000 1.662 386 M HN 0.958 nan 8.290 nan 0.000 0.440 387 S N 3.408 119.069 115.700 -0.066 0.000 2.532 387 S HA 0.613 5.083 4.470 -0.000 0.000 0.299 387 S C -1.365 173.160 174.600 -0.125 0.000 1.105 387 S CA -0.758 57.383 58.200 -0.098 0.000 1.018 387 S CB 1.067 64.223 63.200 -0.073 0.000 1.021 387 S HN 0.841 nan 8.310 nan 0.000 0.483 388 N N 2.055 120.635 118.700 -0.200 0.000 2.361 388 N HA 0.544 5.284 4.740 -0.000 0.000 0.302 388 N C -1.445 173.724 175.510 -0.569 0.000 1.074 388 N CA -0.440 52.370 53.050 -0.401 0.000 0.850 388 N CB 1.960 40.147 38.487 -0.501 0.000 1.228 388 N HN 0.477 nan 8.380 nan 0.000 0.491 389 S N 1.628 116.900 115.700 -0.714 0.000 2.733 389 S HA 0.577 5.047 4.470 -0.000 0.000 0.294 389 S C -1.173 173.048 174.600 -0.632 0.000 1.149 389 S CA -0.624 57.245 58.200 -0.553 0.000 1.034 389 S CB 0.426 63.467 63.200 -0.266 0.000 1.015 389 S HN 0.284 nan 8.310 nan 0.000 0.486 390 F N 1.049 120.653 119.950 -0.577 0.000 2.538 390 F HA 0.909 5.436 4.527 -0.000 0.000 0.325 390 F C 0.813 176.422 175.800 -0.318 0.000 1.066 390 F CA -0.975 56.751 58.000 -0.456 0.000 0.946 390 F CB 1.790 40.484 39.000 -0.509 0.000 1.199 390 F HN 0.673 nan 8.300 nan 0.000 0.473 391 G N 0.280 109.161 108.800 0.136 0.000 2.694 391 G HA2 0.543 4.503 3.960 -0.000 0.000 0.290 391 G HA3 0.543 4.503 3.960 -0.000 0.000 0.290 391 G C -1.404 173.673 174.900 0.295 0.000 1.386 391 G CA -0.882 44.299 45.100 0.136 0.000 0.872 391 G HN 0.463 nan 8.290 nan 0.000 0.475 392 F N 0.223 120.265 119.950 0.154 0.000 2.595 392 F HA 0.303 4.830 4.527 -0.000 0.000 0.359 392 F C 1.666 177.525 175.800 0.098 0.000 1.147 392 F CA 1.315 59.394 58.000 0.132 0.000 1.341 392 F CB 0.983 40.068 39.000 0.142 0.000 1.104 392 F HN 0.920 nan 8.300 nan 0.000 0.603 393 G N 1.097 110.049 108.800 0.254 0.000 2.175 393 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.244 393 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.244 393 G C 0.649 175.617 174.900 0.114 0.000 0.982 393 G CA -0.016 45.173 45.100 0.147 0.000 0.641 393 G HN 1.739 nan 8.290 nan 0.000 0.527 394 G N -0.914 107.964 108.800 0.129 0.000 2.272 394 G HA2 0.091 4.051 3.960 -0.000 0.000 0.280 394 G HA3 0.091 4.051 3.960 -0.000 0.000 0.280 394 G C 0.333 175.287 174.900 0.091 0.000 1.067 394 G CA 1.349 46.497 45.100 0.081 0.000 0.902 394 G HN 1.983 nan 8.290 nan 0.000 0.500 395 T N 0.416 115.058 114.554 0.146 0.000 2.744 395 T HA 0.553 4.903 4.350 -0.000 0.000 0.291 395 T C 0.037 174.887 174.700 0.250 0.000 0.957 395 T CA -0.619 61.596 62.100 0.192 0.000 1.002 395 T CB 0.228 69.232 68.868 0.227 0.000 0.919 395 T HN 0.321 nan 8.240 nan 0.000 0.468 396 N N 3.326 122.180 118.700 0.256 0.000 2.321 396 N HA 0.683 5.423 4.740 -0.000 0.000 0.299 396 N C -1.141 174.501 175.510 0.221 0.000 1.048 396 N CA -0.582 52.655 53.050 0.311 0.000 0.836 396 N CB 2.049 40.678 38.487 0.236 0.000 1.269 396 N HN 0.739 nan 8.380 nan 0.000 0.486 397 A N 0.981 123.836 122.820 0.058 0.000 2.393 397 A HA 0.781 5.101 4.320 -0.000 0.000 0.306 397 A C -0.720 176.837 177.584 -0.044 0.000 1.050 397 A CA -0.486 51.489 52.037 -0.104 0.000 0.724 397 A CB 1.293 19.966 19.000 -0.546 0.000 1.248 397 A HN 0.457 nan 8.150 nan 0.000 0.424 398 T N 2.271 116.856 114.554 0.050 0.000 2.971 398 T HA 0.593 4.943 4.350 -0.000 0.000 0.304 398 T C -0.995 173.769 174.700 0.107 0.000 1.038 398 T CA -0.236 61.889 62.100 0.042 0.000 1.007 398 T CB 0.901 69.813 68.868 0.073 0.000 1.055 398 T HN 0.504 nan 8.240 nan 0.000 0.451 399 L N 2.744 123.996 121.223 0.048 0.000 2.385 399 L HA 0.751 5.091 4.340 -0.000 0.000 0.273 399 L C -0.840 176.051 176.870 0.036 0.000 0.990 399 L CA -1.134 53.740 54.840 0.057 0.000 0.821 399 L CB 2.099 44.155 42.059 -0.005 0.000 1.279 399 L HN 0.339 nan 8.230 nan 0.000 0.412 400 V N 4.152 124.098 119.914 0.053 0.000 2.409 400 V HA 0.502 4.622 4.120 -0.000 0.000 0.291 400 V C -0.067 176.047 176.094 0.034 0.000 1.020 400 V CA -0.306 62.022 62.300 0.046 0.000 0.848 400 V CB 1.711 33.570 31.823 0.061 0.000 0.990 400 V HN 0.714 nan 8.190 nan 0.000 0.430 401 M N 5.181 124.796 119.600 0.025 0.000 2.456 401 M HA 0.677 5.157 4.480 -0.000 0.000 0.324 401 M C -0.436 175.878 176.300 0.024 0.000 1.124 401 M CA -0.383 54.926 55.300 0.016 0.000 0.959 401 M CB 2.419 35.022 32.600 0.005 0.000 1.692 401 M HN 0.558 nan 8.290 nan 0.000 0.444 402 R N 1.105 121.615 120.500 0.017 0.000 2.725 402 R HA 0.445 4.785 4.340 -0.000 0.000 0.277 402 R C -1.001 175.303 176.300 0.008 0.000 0.987 402 R CA -0.889 55.221 56.100 0.017 0.000 0.901 402 R CB 1.680 31.990 30.300 0.017 0.000 1.207 402 R HN 0.526 nan 8.270 nan 0.000 0.463 403 K N 2.347 122.751 120.400 0.007 0.000 2.485 403 K HA -0.025 4.295 4.320 -0.000 0.000 0.277 403 K C 0.028 176.621 176.600 -0.011 0.000 0.990 403 K CA -0.103 56.182 56.287 -0.003 0.000 0.994 403 K CB 0.216 32.716 32.500 -0.001 0.000 0.906 403 K HN 0.375 nan 8.250 nan 0.000 0.488 404 L N 3.108 124.317 121.223 -0.024 0.000 2.485 404 L HA -0.028 4.312 4.340 -0.000 0.000 0.275 404 L C 0.018 176.877 176.870 -0.018 0.000 1.207 404 L CA 0.818 55.642 54.840 -0.026 0.000 0.855 404 L CB 0.014 42.048 42.059 -0.041 0.000 1.114 404 L HN 0.613 nan 8.230 nan 0.000 0.485 405 K N 2.224 122.615 120.400 -0.015 0.000 2.729 405 K HA 0.446 4.766 4.320 -0.000 0.000 0.269 405 K C -1.299 175.295 176.600 -0.011 0.000 1.065 405 K CA -0.789 55.491 56.287 -0.011 0.000 1.000 405 K CB 0.824 33.319 32.500 -0.007 0.000 1.283 405 K HN 0.320 nan 8.250 nan 0.000 0.491 406 D N 0.000 120.393 120.400 -0.012 0.000 6.856 406 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 406 D CA 0.000 53.994 54.000 -0.010 0.000 0.868 406 D CB 0.000 40.793 40.800 -0.011 0.000 0.688 406 D HN 0.000 nan 8.370 nan 0.000 0.683