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 2xfo_1_B DATA FIRST_RESID 3 DATA SEQUENCE NKCDVVVVGG GISGMAAAKL LHDSGLNVVV LEARDRVGGR TYTLRNQKVK DATA SEQUENCE YVDLGGSYVG PTQNRILRLA KELGLETYKV NEVERLIHHV KGKSYPFRGP DATA SEQUENCE FPPVWNPITY LDHNNFWRTM DDMGREIPSD APWKAPLAEE WDNMTMKELL DATA SEQUENCE DKLCWTESAK QLATLFVNLC VTAETHEVSA LWFLWYVKQC GGTTRIASTT DATA SEQUENCE NGGQERKFVG GSGQVSERIM DLLGDRVKLE RPVIYIDQTR ENVLVETLNH DATA SEQUENCE EMYEAKYVIS AIPPTLGMKI HFNPPLPMMR NQMITRVPLG SVIKCIVYYK DATA SEQUENCE EPFWRKKDYC GTMIIDGEEA PVAYTLDDTK PEGNYAAIMG FILAHKARKL DATA SEQUENCE ARLTKEERLK KLCELYAKVL GSLEALEPVH YEEKNWCEEQ YSGGCYTTYF DATA SEQUENCE PPGILTQYGR VLRQPVDRIY FAGTETATHW SGYMEGAVEA GERAAREILH DATA SEQUENCE AMGKIPEDEI WQSEPESVDV PAQPITTTFL ERHLPSVPGL LRLI 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 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.471 175.510 -0.065 0.000 1.280 3 N CA 0.000 52.913 53.050 -0.228 0.000 0.885 3 N CB 0.000 38.403 38.487 -0.140 0.000 1.341 4 K N 1.854 122.243 120.400 -0.017 0.000 2.130 4 K HA 0.629 4.949 4.320 -0.000 0.000 0.268 4 K C 0.174 176.802 176.600 0.047 0.000 0.983 4 K CA -0.412 55.885 56.287 0.017 0.000 0.893 4 K CB 2.047 34.547 32.500 0.000 0.000 1.066 4 K HN 0.671 nan 8.250 nan 0.000 0.450 5 C N -1.526 117.807 119.300 0.056 0.000 3.284 5 C HA 0.360 4.820 4.460 -0.000 0.000 0.348 5 C C 0.669 175.687 174.990 0.047 0.000 1.448 5 C CA -0.795 58.257 59.018 0.058 0.000 1.223 5 C CB 0.848 28.639 27.740 0.085 0.000 1.588 5 C HN 0.804 nan 8.230 nan 0.000 0.451 6 D N 0.291 120.721 120.400 0.050 0.000 2.137 6 D HA 0.119 4.759 4.640 -0.000 0.000 0.202 6 D C 0.390 176.741 176.300 0.085 0.000 0.970 6 D CA 1.720 55.755 54.000 0.058 0.000 0.837 6 D CB 0.191 41.026 40.800 0.059 0.000 0.981 6 D HN 0.528 nan 8.370 nan 0.000 0.475 7 V N 1.325 121.285 119.914 0.076 0.000 2.655 7 V HA 0.204 4.324 4.120 -0.000 0.000 0.301 7 V C -0.216 175.906 176.094 0.048 0.000 1.082 7 V CA -0.873 61.474 62.300 0.079 0.000 0.899 7 V CB 2.683 34.544 31.823 0.063 0.000 1.014 7 V HN -0.265 nan 8.190 nan 0.000 0.429 8 V N 5.337 125.276 119.914 0.040 0.000 2.461 8 V HA 0.377 4.497 4.120 -0.000 0.000 0.275 8 V C 0.067 176.153 176.094 -0.013 0.000 1.047 8 V CA -0.305 61.992 62.300 -0.004 0.000 0.955 8 V CB 1.718 33.536 31.823 -0.007 0.000 0.988 8 V HN 0.636 nan 8.190 nan 0.000 0.471 9 V N 6.229 126.121 119.914 -0.036 0.000 2.398 9 V HA 0.345 4.465 4.120 -0.000 0.000 0.286 9 V C -0.018 176.048 176.094 -0.047 0.000 1.026 9 V CA -0.575 61.709 62.300 -0.027 0.000 0.868 9 V CB 1.886 33.696 31.823 -0.022 0.000 0.982 9 V HN 0.613 nan 8.190 nan 0.000 0.443 10 V N 4.326 124.226 119.914 -0.023 0.000 2.385 10 V HA 0.810 4.930 4.120 -0.000 0.000 0.269 10 V C 0.672 176.768 176.094 0.004 0.000 1.043 10 V CA 0.370 62.657 62.300 -0.022 0.000 0.906 10 V CB 0.486 32.313 31.823 0.007 0.000 0.995 10 V HN 1.289 nan 8.190 nan 0.000 0.467 11 G N 3.611 112.399 108.800 -0.019 0.000 3.338 11 G HA2 0.184 4.144 3.960 -0.000 0.000 0.686 11 G HA3 0.184 4.144 3.960 -0.000 0.000 0.686 11 G C 0.075 174.973 174.900 -0.003 0.000 1.053 11 G CA -0.499 44.602 45.100 0.003 0.000 0.852 11 G HN 1.318 nan 8.290 nan 0.000 0.545 12 G N 0.950 109.745 108.800 -0.008 0.000 4.291 12 G HA2 0.701 4.661 3.960 -0.000 0.000 0.304 12 G HA3 0.701 4.661 3.960 -0.000 0.000 0.304 12 G C 0.823 175.736 174.900 0.021 0.000 1.264 12 G CA 0.900 45.997 45.100 -0.005 0.000 1.039 12 G HN 1.300 nan 8.290 nan 0.000 0.578 13 G N -0.174 108.651 108.800 0.042 0.000 2.525 13 G HA2 0.372 4.332 3.960 -0.000 0.000 0.287 13 G HA3 0.372 4.332 3.960 -0.000 0.000 0.287 13 G C 1.199 176.128 174.900 0.048 0.000 1.350 13 G CA -0.815 44.322 45.100 0.060 0.000 1.039 13 G HN 0.151 nan 8.290 nan 0.000 0.513 14 I N -0.440 120.162 120.570 0.053 0.000 2.248 14 I HA -0.222 3.948 4.170 -0.000 0.000 0.248 14 I C 2.977 179.121 176.117 0.044 0.000 1.107 14 I CA 1.471 62.795 61.300 0.041 0.000 1.373 14 I CB -0.108 37.920 38.000 0.047 0.000 1.055 14 I HN 0.451 nan 8.210 nan 0.000 0.418 15 S N 0.589 116.327 115.700 0.064 0.000 2.348 15 S HA -0.121 4.349 4.470 -0.000 0.000 0.221 15 S C 2.114 176.742 174.600 0.046 0.000 1.033 15 S CA 1.645 59.886 58.200 0.068 0.000 1.010 15 S CB -0.581 62.678 63.200 0.098 0.000 0.891 15 S HN 0.574 nan 8.310 nan 0.000 0.442 16 G N 1.501 110.326 108.800 0.042 0.000 2.418 16 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.217 16 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.217 16 G C 1.441 176.343 174.900 0.004 0.000 1.158 16 G CA 0.928 46.041 45.100 0.022 0.000 0.771 16 G HN 0.373 nan 8.290 nan 0.000 0.545 17 M N 1.356 120.956 119.600 0.001 0.000 2.086 17 M HA 0.040 4.520 4.480 -0.000 0.000 0.261 17 M C 3.002 179.293 176.300 -0.015 0.000 1.067 17 M CA 1.297 56.587 55.300 -0.016 0.000 1.116 17 M CB -1.433 31.155 32.600 -0.020 0.000 1.348 17 M HN 0.309 nan 8.290 nan 0.000 0.407 18 A N 0.091 122.909 122.820 -0.003 0.000 1.933 18 A HA 0.023 4.343 4.320 -0.000 0.000 0.218 18 A C 2.452 180.034 177.584 -0.003 0.000 1.175 18 A CA 2.106 54.142 52.037 -0.002 0.000 0.628 18 A CB -0.900 18.106 19.000 0.010 0.000 0.814 18 A HN 0.481 nan 8.150 nan 0.000 0.444 19 A N -0.105 122.713 122.820 -0.002 0.000 1.877 19 A HA 0.168 4.488 4.320 -0.000 0.000 0.216 19 A C 2.510 180.088 177.584 -0.010 0.000 1.186 19 A CA 2.088 54.118 52.037 -0.012 0.000 0.620 19 A CB -1.024 17.969 19.000 -0.011 0.000 0.822 19 A HN 1.049 nan 8.150 nan 0.000 0.443 20 A N -0.387 122.428 122.820 -0.008 0.000 1.930 20 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 20 A C 2.142 179.733 177.584 0.013 0.000 1.175 20 A CA 1.902 53.936 52.037 -0.004 0.000 0.627 20 A CB -0.428 18.558 19.000 -0.024 0.000 0.815 20 A HN 0.548 nan 8.150 nan 0.000 0.443 21 K N -0.343 120.054 120.400 -0.005 0.000 2.057 21 K HA -0.093 4.227 4.320 -0.000 0.000 0.207 21 K C 1.998 178.633 176.600 0.059 0.000 1.049 21 K CA 1.481 57.775 56.287 0.012 0.000 0.931 21 K CB -0.297 32.195 32.500 -0.013 0.000 0.714 21 K HN 0.480 nan 8.250 nan 0.000 0.440 22 L N 1.231 122.470 121.223 0.026 0.000 2.017 22 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 22 L C 2.199 179.082 176.870 0.021 0.000 1.073 22 L CA 1.135 55.985 54.840 0.016 0.000 0.745 22 L CB -0.170 41.883 42.059 -0.010 0.000 0.894 22 L HN 0.228 nan 8.230 nan 0.000 0.432 23 L N -0.792 120.443 121.223 0.021 0.000 2.046 23 L HA -0.282 4.058 4.340 -0.000 0.000 0.208 23 L C 2.606 179.507 176.870 0.053 0.000 1.077 23 L CA 1.742 56.592 54.840 0.017 0.000 0.747 23 L CB -0.850 41.214 42.059 0.008 0.000 0.896 23 L HN 0.462 nan 8.230 nan 0.000 0.432 24 H N -0.189 118.870 119.070 -0.018 0.000 2.389 24 H HA -0.156 4.400 4.556 -0.000 0.000 0.299 24 H C 1.760 177.081 175.328 -0.012 0.000 1.081 24 H CA 1.664 57.705 56.048 -0.012 0.000 1.345 24 H CB 0.101 29.856 29.762 -0.011 0.000 1.393 24 H HN 0.199 nan 8.280 nan 0.000 0.520 25 D N -0.296 120.149 120.400 0.074 0.000 2.263 25 D HA -0.089 4.551 4.640 -0.000 0.000 0.208 25 D C 1.774 178.041 176.300 -0.055 0.000 0.971 25 D CA 1.007 55.004 54.000 -0.005 0.000 0.867 25 D CB -0.136 40.693 40.800 0.047 0.000 0.929 25 D HN 0.336 nan 8.370 nan 0.000 0.492 26 S N -1.082 114.591 115.700 -0.044 0.000 2.562 26 S HA 0.213 4.682 4.470 -0.000 0.000 0.221 26 S C 1.633 176.195 174.600 -0.064 0.000 0.975 26 S CA 0.638 58.810 58.200 -0.046 0.000 0.918 26 S CB 0.543 63.723 63.200 -0.033 0.000 0.772 26 S HN 0.461 nan 8.310 nan 0.000 0.531 27 G N 0.881 109.617 108.800 -0.107 0.000 2.176 27 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.232 27 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.232 27 G C 0.044 174.903 174.900 -0.068 0.000 0.986 27 G CA -0.245 44.791 45.100 -0.108 0.000 0.643 27 G HN 0.428 nan 8.290 nan 0.000 0.522 28 L N 0.804 122.003 121.223 -0.040 0.000 2.436 28 L HA 0.329 4.669 4.340 -0.000 0.000 0.265 28 L C 0.221 177.102 176.870 0.019 0.000 1.168 28 L CA -0.758 54.080 54.840 -0.004 0.000 0.815 28 L CB 0.381 42.447 42.059 0.011 0.000 1.109 28 L HN 0.033 nan 8.230 nan 0.000 0.462 29 N N 2.160 120.880 118.700 0.033 0.000 2.406 29 N HA 0.267 5.007 4.740 -0.000 0.000 0.251 29 N C -0.578 174.972 175.510 0.066 0.000 1.069 29 N CA -0.100 52.984 53.050 0.056 0.000 0.947 29 N CB 1.467 39.982 38.487 0.046 0.000 1.111 29 N HN 0.375 nan 8.380 nan 0.000 0.497 30 V N 0.237 120.199 119.914 0.081 0.000 2.815 30 V HA 0.760 4.880 4.120 -0.000 0.000 0.314 30 V C -0.071 176.048 176.094 0.042 0.000 1.064 30 V CA -0.704 61.630 62.300 0.057 0.000 0.952 30 V CB 2.025 33.878 31.823 0.049 0.000 1.020 30 V HN 0.149 nan 8.190 nan 0.000 0.439 31 V N 3.005 122.927 119.914 0.014 0.000 2.709 31 V HA 0.565 4.685 4.120 -0.000 0.000 0.308 31 V C -0.483 175.560 176.094 -0.084 0.000 1.062 31 V CA -0.516 61.767 62.300 -0.028 0.000 0.901 31 V CB 2.189 33.998 31.823 -0.024 0.000 1.003 31 V HN 0.852 nan 8.190 nan 0.000 0.425 32 V N 5.868 125.720 119.914 -0.103 0.000 2.384 32 V HA 0.480 4.600 4.120 -0.000 0.000 0.287 32 V C -0.291 175.704 176.094 -0.166 0.000 1.020 32 V CA -0.469 61.765 62.300 -0.110 0.000 0.850 32 V CB 1.508 33.286 31.823 -0.075 0.000 0.987 32 V HN 0.609 nan 8.190 nan 0.000 0.436 33 L N 4.437 125.544 121.223 -0.194 0.000 2.265 33 L HA 0.648 4.988 4.340 -0.000 0.000 0.289 33 L C -0.226 176.550 176.870 -0.156 0.000 1.033 33 L CA -0.341 54.361 54.840 -0.229 0.000 0.814 33 L CB 1.514 43.391 42.059 -0.303 0.000 1.203 33 L HN 0.604 nan 8.230 nan 0.000 0.423 34 E N 2.249 122.360 120.200 -0.147 0.000 2.199 34 E HA 0.495 4.845 4.350 -0.000 0.000 0.265 34 E C 0.117 176.600 176.600 -0.195 0.000 0.882 34 E CA -0.403 55.915 56.400 -0.136 0.000 0.759 34 E CB 2.089 31.733 29.700 -0.093 0.000 1.148 34 E HN 0.548 nan 8.360 nan 0.000 0.412 35 A N 5.335 127.976 122.820 -0.298 0.000 1.968 35 A HA 0.055 4.375 4.320 -0.000 0.000 0.217 35 A C 1.069 178.386 177.584 -0.443 0.000 1.169 35 A CA 0.795 52.511 52.037 -0.536 0.000 0.638 35 A CB -0.081 18.219 19.000 -1.168 0.000 0.812 35 A HN 0.558 nan 8.150 nan 0.000 0.446 36 R N 0.056 120.385 120.500 -0.285 0.000 2.541 36 R HA 0.243 4.583 4.340 -0.000 0.000 0.263 36 R C -0.000 176.244 176.300 -0.093 0.000 1.112 36 R CA 0.111 56.123 56.100 -0.147 0.000 1.170 36 R CB 0.198 30.452 30.300 -0.076 0.000 1.167 36 R HN 0.412 nan 8.270 nan 0.000 0.582 37 D N 0.439 120.805 120.400 -0.056 0.000 2.323 37 D HA -0.030 4.610 4.640 -0.000 0.000 0.239 37 D C -0.114 176.175 176.300 -0.018 0.000 1.129 37 D CA 0.065 54.044 54.000 -0.034 0.000 0.865 37 D CB -0.078 40.709 40.800 -0.021 0.000 0.913 37 D HN 0.426 nan 8.370 nan 0.000 0.517 38 R N -1.232 119.256 120.500 -0.020 0.000 2.710 38 R HA 0.562 4.902 4.340 -0.000 0.000 0.270 38 R C -0.793 175.515 176.300 0.014 0.000 1.021 38 R CA -1.094 55.014 56.100 0.013 0.000 0.889 38 R CB 1.205 31.529 30.300 0.039 0.000 1.243 38 R HN -0.101 nan 8.270 nan 0.000 0.464 39 V N -1.188 118.747 119.914 0.035 0.000 3.234 39 V HA 0.875 4.995 4.120 -0.000 0.000 0.317 39 V C 0.936 177.079 176.094 0.083 0.000 1.081 39 V CA 0.413 62.734 62.300 0.036 0.000 1.037 39 V CB 0.833 32.665 31.823 0.016 0.000 1.148 39 V HN 1.205 nan 8.190 nan 0.000 0.453 40 G N -0.877 107.973 108.800 0.083 0.000 2.339 40 G HA2 0.135 4.095 3.960 -0.000 0.000 0.209 40 G HA3 0.135 4.095 3.960 -0.000 0.000 0.209 40 G C 1.603 176.590 174.900 0.146 0.000 1.015 40 G CA 0.745 45.919 45.100 0.123 0.000 0.635 40 G HN 2.591 nan 8.290 nan 0.000 0.499 41 G N 0.660 109.552 108.800 0.154 0.000 2.646 41 G HA2 -0.417 3.543 3.960 -0.000 0.000 0.324 41 G HA3 -0.417 3.543 3.960 -0.000 0.000 0.324 41 G C 0.983 176.045 174.900 0.270 0.000 1.195 41 G CA 1.575 46.786 45.100 0.185 0.000 0.976 41 G HN 1.203 nan 8.290 nan 0.000 0.546 42 R N 1.764 122.329 120.500 0.107 0.000 2.323 42 R HA 0.225 4.565 4.340 -0.000 0.000 0.198 42 R C 1.090 177.288 176.300 -0.171 0.000 0.988 42 R CA 1.020 56.998 56.100 -0.203 0.000 1.041 42 R CB -0.126 30.015 30.300 -0.265 0.000 0.926 42 R HN 0.706 nan 8.270 nan 0.000 0.476 43 T N -2.345 112.273 114.554 0.106 0.000 2.867 43 T HA 0.354 4.704 4.350 -0.000 0.000 0.282 43 T C -0.933 174.014 174.700 0.412 0.000 1.000 43 T CA -0.618 61.598 62.100 0.194 0.000 1.042 43 T CB 1.626 70.570 68.868 0.128 0.000 0.973 43 T HN 0.102 nan 8.240 nan 0.000 0.465 44 Y N 1.182 121.639 120.300 0.261 0.000 2.287 44 Y HA 0.397 4.947 4.550 -0.000 0.000 0.321 44 Y C -1.214 174.802 175.900 0.194 0.000 1.173 44 Y CA -0.917 57.335 58.100 0.253 0.000 1.124 44 Y CB 1.261 39.937 38.460 0.360 0.000 1.201 44 Y HN 0.893 nan 8.280 nan 0.000 0.421 45 T N 7.593 122.016 114.554 -0.219 0.000 2.743 45 T HA 0.456 4.806 4.350 -0.000 0.000 0.292 45 T C -0.870 173.546 174.700 -0.475 0.000 0.972 45 T CA -0.377 61.578 62.100 -0.243 0.000 0.967 45 T CB 0.703 69.536 68.868 -0.057 0.000 0.926 45 T HN 0.555 nan 8.240 nan 0.000 0.459 46 L N 4.487 125.430 121.223 -0.466 0.000 2.289 46 L HA 0.687 5.027 4.340 -0.000 0.000 0.285 46 L C -0.462 176.341 176.870 -0.112 0.000 1.049 46 L CA -0.311 54.326 54.840 -0.339 0.000 0.804 46 L CB 0.668 42.565 42.059 -0.271 0.000 1.195 46 L HN 0.413 nan 8.230 nan 0.000 0.428 47 R N 3.478 123.939 120.500 -0.065 0.000 2.494 47 R HA 0.628 4.968 4.340 -0.000 0.000 0.305 47 R C -0.998 175.277 176.300 -0.041 0.000 0.959 47 R CA -0.614 55.468 56.100 -0.030 0.000 0.864 47 R CB 1.257 31.554 30.300 -0.006 0.000 1.159 47 R HN 0.875 nan 8.270 nan 0.000 0.446 48 N N -1.295 117.362 118.700 -0.071 0.000 2.853 48 N HA 0.076 4.816 4.740 -0.000 0.000 0.258 48 N C -0.106 175.337 175.510 -0.112 0.000 1.444 48 N CA -0.983 52.021 53.050 -0.077 0.000 0.837 48 N CB 0.763 39.209 38.487 -0.069 0.000 1.489 48 N HN 0.386 nan 8.380 nan 0.000 0.529 49 Q N -0.432 119.311 119.800 -0.094 0.000 2.230 49 Q HA -0.012 4.328 4.340 -0.000 0.000 0.202 49 Q C 0.474 176.424 176.000 -0.083 0.000 0.963 49 Q CA 1.117 56.881 55.803 -0.065 0.000 0.866 49 Q CB 0.091 28.803 28.738 -0.043 0.000 0.931 49 Q HN 0.517 nan 8.270 nan 0.000 0.452 50 K N 0.086 120.348 120.400 -0.229 0.000 2.103 50 K HA -0.056 4.264 4.320 -0.000 0.000 0.204 50 K C 2.014 178.402 176.600 -0.354 0.000 1.052 50 K CA 1.393 57.448 56.287 -0.387 0.000 0.945 50 K CB 0.153 32.088 32.500 -0.942 0.000 0.722 50 K HN 0.297 nan 8.250 nan 0.000 0.443 51 V N -2.161 117.505 119.914 -0.414 0.000 3.661 51 V HA 0.186 4.306 4.120 -0.000 0.000 0.271 51 V C 1.465 177.159 176.094 -0.666 0.000 1.315 51 V CA 0.628 62.637 62.300 -0.486 0.000 1.072 51 V CB 0.056 31.646 31.823 -0.388 0.000 0.830 51 V HN 0.315 nan 8.190 nan 0.000 0.443 52 K N 0.751 120.810 120.400 -0.567 0.000 11.046 52 K HA -0.315 4.005 4.320 -0.000 0.000 0.528 52 K C 0.146 176.622 176.600 -0.207 0.000 0.384 52 K CA 2.614 58.610 56.287 -0.485 0.000 1.939 52 K CB -1.473 30.517 32.500 -0.850 0.000 0.775 52 K HN 0.938 nan 8.250 nan 0.000 1.232 53 Y N -1.999 118.146 120.300 -0.258 0.000 2.544 53 Y HA 0.719 5.269 4.550 -0.000 0.000 0.342 53 Y C -1.249 174.609 175.900 -0.070 0.000 1.062 53 Y CA -0.731 57.285 58.100 -0.139 0.000 1.023 53 Y CB 2.038 40.437 38.460 -0.102 0.000 1.308 53 Y HN 0.041 nan 8.280 nan 0.000 0.457 54 V N 2.542 122.497 119.914 0.067 0.000 2.711 54 V HA 0.376 4.496 4.120 -0.000 0.000 0.304 54 V C -1.537 174.605 176.094 0.080 0.000 1.097 54 V CA -0.582 61.761 62.300 0.072 0.000 0.906 54 V CB 1.823 33.715 31.823 0.115 0.000 1.015 54 V HN 0.925 nan 8.190 nan 0.000 0.427 55 D N 5.534 125.997 120.400 0.106 0.000 2.343 55 D HA 0.295 4.935 4.640 -0.000 0.000 0.255 55 D C 0.770 177.144 176.300 0.123 0.000 1.187 55 D CA 0.225 54.277 54.000 0.086 0.000 0.875 55 D CB 1.992 42.822 40.800 0.050 0.000 1.136 55 D HN 0.530 nan 8.370 nan 0.000 0.469 56 L N 1.477 122.821 121.223 0.201 0.000 2.609 56 L HA 0.223 4.563 4.340 -0.000 0.000 0.230 56 L C 1.472 178.744 176.870 0.670 0.000 1.087 56 L CA 0.081 55.137 54.840 0.361 0.000 0.874 56 L CB 0.455 42.717 42.059 0.338 0.000 1.114 56 L HN 0.339 nan 8.230 nan 0.000 0.488 57 G N -0.741 108.406 108.800 0.577 0.000 3.099 57 G HA2 0.421 4.381 3.960 -0.000 0.000 0.151 57 G HA3 0.421 4.381 3.960 -0.000 0.000 0.151 57 G C -0.150 174.794 174.900 0.074 0.000 1.265 57 G CA -0.057 45.202 45.100 0.266 0.000 0.981 57 G HN 0.093 nan 8.290 nan 0.000 0.601 58 G N -0.865 107.902 108.800 -0.056 0.000 2.321 58 G HA2 0.358 4.318 3.960 -0.000 0.000 0.237 58 G HA3 0.358 4.318 3.960 -0.000 0.000 0.237 58 G C 0.565 175.446 174.900 -0.033 0.000 1.282 58 G CA 0.902 45.971 45.100 -0.052 0.000 0.886 58 G HN 0.834 nan 8.290 nan 0.000 0.528 59 S N 1.183 116.802 115.700 -0.135 0.000 3.265 59 S HA 0.203 4.673 4.470 -0.000 0.000 0.259 59 S C 0.087 174.417 174.600 -0.450 0.000 1.089 59 S CA -0.309 57.699 58.200 -0.320 0.000 0.811 59 S CB 0.032 62.876 63.200 -0.592 0.000 0.858 59 S HN 0.489 nan 8.310 nan 0.000 0.452 60 Y N 2.669 122.914 120.300 -0.093 0.000 2.299 60 Y HA 0.552 5.102 4.550 -0.000 0.000 0.326 60 Y C 0.233 175.987 175.900 -0.243 0.000 1.164 60 Y CA -0.426 57.570 58.100 -0.173 0.000 1.234 60 Y CB 1.311 39.717 38.460 -0.090 0.000 1.219 60 Y HN 0.128 nan 8.280 nan 0.000 0.497 61 V N -0.372 119.408 119.914 -0.222 0.000 3.078 61 V HA 1.094 5.214 4.120 -0.000 0.000 0.311 61 V C -0.378 175.531 176.094 -0.309 0.000 1.138 61 V CA -0.631 61.469 62.300 -0.334 0.000 1.007 61 V CB 1.688 33.230 31.823 -0.469 0.000 1.045 61 V HN 0.934 nan 8.190 nan 0.000 0.432 62 G N 0.497 109.073 108.800 -0.374 0.000 2.649 62 G HA2 0.756 4.716 3.960 -0.000 0.000 0.290 62 G HA3 0.756 4.716 3.960 -0.000 0.000 0.290 62 G C -3.444 171.300 174.900 -0.260 0.000 1.426 62 G CA -1.391 43.539 45.100 -0.283 0.000 0.794 62 G HN 0.701 nan 8.290 nan 0.000 0.483 63 P HA 0.130 nan 4.420 nan 0.000 0.266 63 P C 0.795 178.072 177.300 -0.039 0.000 1.193 63 P CA 1.853 64.909 63.100 -0.073 0.000 0.770 63 P CB 0.861 32.548 31.700 -0.022 0.000 0.836 64 T N -1.808 112.754 114.554 0.013 0.000 6.445 64 T HA -0.230 4.120 4.350 -0.000 0.000 0.280 64 T C 0.266 174.982 174.700 0.026 0.000 2.174 64 T CA 0.730 62.917 62.100 0.145 0.000 3.648 64 T CB -2.670 66.417 68.868 0.366 0.000 1.091 64 T HN 0.578 nan 8.240 nan 0.000 1.002 65 Q N 1.445 121.088 119.800 -0.261 0.000 3.135 65 Q HA 0.399 4.739 4.340 -0.000 0.000 0.344 65 Q C 0.849 176.745 176.000 -0.175 0.000 1.321 65 Q CA -0.484 55.062 55.803 -0.428 0.000 1.050 65 Q CB 0.162 28.439 28.738 -0.770 0.000 1.498 65 Q HN 0.480 nan 8.270 nan 0.000 0.503 66 N N 0.927 119.597 118.700 -0.050 0.000 2.396 66 N HA -0.064 4.676 4.740 -0.000 0.000 0.180 66 N C 1.256 176.773 175.510 0.012 0.000 1.028 66 N CA 0.768 53.815 53.050 -0.004 0.000 0.893 66 N CB 0.283 38.792 38.487 0.037 0.000 0.967 66 N HN 0.393 nan 8.380 nan 0.000 0.440 67 R N 0.539 121.050 120.500 0.018 0.000 2.057 67 R HA 0.004 4.344 4.340 -0.000 0.000 0.229 67 R C 2.085 178.400 176.300 0.026 0.000 1.136 67 R CA 0.728 56.847 56.100 0.033 0.000 0.952 67 R CB -0.399 29.933 30.300 0.054 0.000 0.848 67 R HN 0.076 nan 8.270 nan 0.000 0.430 68 I N 1.367 121.948 120.570 0.019 0.000 2.226 68 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 68 I C 1.852 178.031 176.117 0.104 0.000 1.100 68 I CA 1.465 62.798 61.300 0.055 0.000 1.374 68 I CB -0.145 37.896 38.000 0.069 0.000 1.057 68 I HN 0.118 nan 8.210 nan 0.000 0.413 69 L N 0.160 121.431 121.223 0.081 0.000 2.046 69 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 69 L C 2.771 179.684 176.870 0.071 0.000 1.077 69 L CA 1.452 56.357 54.840 0.107 0.000 0.747 69 L CB -0.857 41.222 42.059 0.032 0.000 0.896 69 L HN 0.291 nan 8.230 nan 0.000 0.432 70 R N 0.779 121.302 120.500 0.038 0.000 2.062 70 R HA -0.192 4.148 4.340 -0.000 0.000 0.231 70 R C 2.348 178.654 176.300 0.010 0.000 1.136 70 R CA 1.750 57.865 56.100 0.025 0.000 0.948 70 R CB -0.691 29.623 30.300 0.022 0.000 0.845 70 R HN 0.245 nan 8.270 nan 0.000 0.430 71 L N 1.268 122.492 121.223 0.002 0.000 2.043 71 L HA -0.121 4.219 4.340 -0.000 0.000 0.212 71 L C 2.400 179.233 176.870 -0.062 0.000 1.075 71 L CA 2.375 57.201 54.840 -0.023 0.000 0.752 71 L CB -0.787 41.259 42.059 -0.022 0.000 0.891 71 L HN 0.280 nan 8.230 nan 0.000 0.432 72 A N -0.805 121.966 122.820 -0.081 0.000 1.898 72 A HA -0.240 4.080 4.320 -0.000 0.000 0.216 72 A C 2.454 179.973 177.584 -0.108 0.000 1.181 72 A CA 1.851 53.768 52.037 -0.199 0.000 0.620 72 A CB -0.616 18.176 19.000 -0.347 0.000 0.819 72 A HN 0.496 nan 8.150 nan 0.000 0.442 73 K N -0.399 119.989 120.400 -0.021 0.000 2.032 73 K HA -0.225 4.095 4.320 -0.000 0.000 0.209 73 K C 2.111 178.699 176.600 -0.021 0.000 1.048 73 K CA 1.787 58.072 56.287 -0.003 0.000 0.927 73 K CB -0.179 32.334 32.500 0.020 0.000 0.712 73 K HN 0.637 nan 8.250 nan 0.000 0.441 74 E N 0.455 120.641 120.200 -0.023 0.000 2.153 74 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 74 E C 1.660 178.238 176.600 -0.037 0.000 0.988 74 E CA 0.900 57.286 56.400 -0.022 0.000 0.811 74 E CB 0.018 29.709 29.700 -0.016 0.000 0.746 74 E HN 0.337 nan 8.360 nan 0.000 0.466 75 L N -0.650 120.536 121.223 -0.062 0.000 2.610 75 L HA 0.126 4.466 4.340 -0.000 0.000 0.232 75 L C 1.388 178.211 176.870 -0.077 0.000 1.149 75 L CA 0.488 55.281 54.840 -0.078 0.000 0.872 75 L CB 0.065 42.055 42.059 -0.115 0.000 0.992 75 L HN 0.366 nan 8.230 nan 0.000 0.447 76 G N 0.276 109.039 108.800 -0.062 0.000 2.131 76 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.223 76 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.223 76 G C 0.053 174.921 174.900 -0.053 0.000 0.990 76 G CA -0.374 44.698 45.100 -0.046 0.000 0.671 76 G HN 0.198 nan 8.290 nan 0.000 0.521 77 L N 0.041 121.216 121.223 -0.080 0.000 2.357 77 L HA 0.698 5.038 4.340 -0.000 0.000 0.273 77 L C 0.625 177.517 176.870 0.037 0.000 1.080 77 L CA -0.608 54.184 54.840 -0.080 0.000 0.803 77 L CB 1.206 43.096 42.059 -0.280 0.000 1.174 77 L HN 0.188 nan 8.230 nan 0.000 0.443 78 E N 0.193 120.460 120.200 0.112 0.000 2.320 78 E HA 0.485 4.835 4.350 -0.000 0.000 0.264 78 E C -0.902 175.854 176.600 0.260 0.000 0.923 78 E CA -0.675 55.822 56.400 0.160 0.000 0.796 78 E CB 2.479 32.245 29.700 0.110 0.000 1.262 78 E HN 0.661 nan 8.360 nan 0.000 0.428 79 T N -1.456 113.206 114.554 0.179 0.000 2.949 79 T HA 0.632 4.982 4.350 -0.000 0.000 0.287 79 T C -0.766 174.027 174.700 0.154 0.000 1.034 79 T CA -0.720 61.429 62.100 0.082 0.000 1.018 79 T CB 0.749 69.554 68.868 -0.105 0.000 1.135 79 T HN 0.524 nan 8.240 nan 0.000 0.532 80 Y N -1.591 118.710 120.300 0.002 0.000 2.609 80 Y HA 0.730 5.280 4.550 0.000 0.000 0.342 80 Y C -0.829 175.072 175.900 0.002 0.000 1.058 80 Y CA -1.550 56.561 58.100 0.018 0.000 1.055 80 Y CB 1.389 39.879 38.460 0.050 0.000 1.292 80 Y HN 0.603 nan 8.280 nan 0.000 0.476 81 K N 2.202 122.651 120.400 0.083 0.000 2.234 81 K HA 0.430 4.750 4.320 -0.000 0.000 0.282 81 K C -0.810 175.821 176.600 0.052 0.000 1.039 81 K CA -0.800 55.486 56.287 -0.001 0.000 0.928 81 K CB 1.760 34.291 32.500 0.051 0.000 1.039 81 K HN 0.565 nan 8.250 nan 0.000 0.470 82 V N 3.116 123.006 119.914 -0.040 0.000 2.673 82 V HA -0.107 4.013 4.120 -0.000 0.000 0.303 82 V C 0.603 176.743 176.094 0.077 0.000 1.046 82 V CA -0.192 62.138 62.300 0.049 0.000 1.126 82 V CB 0.316 32.155 31.823 0.026 0.000 0.934 82 V HN 0.729 nan 8.190 nan 0.000 0.487 83 N N 3.835 122.605 118.700 0.117 0.000 2.429 83 N HA -0.001 4.739 4.740 -0.000 0.000 0.271 83 N C 0.312 175.844 175.510 0.036 0.000 1.272 83 N CA 0.526 53.631 53.050 0.092 0.000 0.921 83 N CB 0.236 38.801 38.487 0.131 0.000 1.128 83 N HN 0.813 nan 8.380 nan 0.000 0.481 84 E N 2.923 123.133 120.200 0.018 0.000 2.968 84 E HA 0.105 4.455 4.350 -0.000 0.000 0.202 84 E C 0.465 177.061 176.600 -0.007 0.000 0.979 84 E CA -0.057 56.335 56.400 -0.014 0.000 1.192 84 E CB 0.318 29.996 29.700 -0.036 0.000 1.059 84 E HN 0.455 nan 8.360 nan 0.000 0.470 85 V N 0.498 120.420 119.914 0.014 0.000 2.307 85 V HA -0.176 3.943 4.120 -0.000 0.000 0.245 85 V C 0.993 177.091 176.094 0.007 0.000 1.045 85 V CA 1.624 63.931 62.300 0.012 0.000 1.024 85 V CB -0.183 31.651 31.823 0.017 0.000 0.651 85 V HN 0.238 nan 8.190 nan 0.000 0.449 86 E N -0.830 119.381 120.200 0.019 0.000 3.099 86 E HA 0.429 4.779 4.350 -0.000 0.000 0.259 86 E C 0.150 176.756 176.600 0.010 0.000 1.274 86 E CA -0.674 55.741 56.400 0.024 0.000 1.111 86 E CB 0.310 30.040 29.700 0.050 0.000 1.327 86 E HN 0.295 nan 8.360 nan 0.000 0.652 87 R N 0.252 120.779 120.500 0.044 0.000 2.410 87 R HA 0.329 4.669 4.340 -0.000 0.000 0.288 87 R C -0.540 175.721 176.300 -0.067 0.000 1.051 87 R CA -0.617 55.483 56.100 -0.000 0.000 1.021 87 R CB 0.244 30.607 30.300 0.106 0.000 1.032 87 R HN 0.177 nan 8.270 nan 0.000 0.481 88 L N 2.654 123.664 121.223 -0.355 0.000 2.466 88 L HA 0.359 4.699 4.340 -0.000 0.000 0.257 88 L C 0.203 176.868 176.870 -0.341 0.000 1.189 88 L CA 0.269 54.809 54.840 -0.501 0.000 0.813 88 L CB 0.425 41.878 42.059 -1.010 0.000 1.118 88 L HN 0.465 nan 8.230 nan 0.000 0.471 89 I N 0.134 120.648 120.570 -0.094 0.000 2.498 89 I HA 0.264 4.434 4.170 -0.000 0.000 0.290 89 I C -0.625 175.791 176.117 0.499 0.000 1.032 89 I CA -0.499 60.905 61.300 0.175 0.000 1.073 89 I CB 1.582 39.532 38.000 -0.083 0.000 1.251 89 I HN 0.542 nan 8.210 nan 0.000 0.426 90 H N 5.302 124.702 119.070 0.550 0.000 2.541 90 H HA 0.329 4.885 4.556 -0.000 0.000 0.316 90 H C -1.314 174.262 175.328 0.413 0.000 1.043 90 H CA -0.663 55.644 56.048 0.431 0.000 1.232 90 H CB 0.882 30.811 29.762 0.278 0.000 1.406 90 H HN 0.597 nan 8.280 nan 0.000 0.469 91 H N 4.464 123.693 119.070 0.266 0.000 2.551 91 H HA 0.388 4.944 4.556 -0.000 0.000 0.321 91 H C -1.403 173.954 175.328 0.048 0.000 1.028 91 H CA -0.538 55.584 56.048 0.124 0.000 1.215 91 H CB 1.023 30.851 29.762 0.109 0.000 1.414 91 H HN 0.376 nan 8.280 nan 0.000 0.480 92 V N 5.113 124.895 119.914 -0.219 0.000 2.733 92 V HA 0.292 4.412 4.120 -0.000 0.000 0.306 92 V C -0.727 175.307 176.094 -0.099 0.000 1.084 92 V CA -0.943 61.275 62.300 -0.136 0.000 0.905 92 V CB 1.505 33.171 31.823 -0.263 0.000 1.010 92 V HN 1.056 nan 8.190 nan 0.000 0.424 93 K N 4.847 125.221 120.400 -0.043 0.000 3.177 93 K HA -0.211 4.109 4.320 -0.000 0.000 0.266 93 K C 0.944 177.504 176.600 -0.066 0.000 0.937 93 K CA 0.919 57.195 56.287 -0.018 0.000 0.702 93 K CB -1.773 30.733 32.500 0.011 0.000 1.365 93 K HN 2.228 nan 8.250 nan 0.000 0.466 94 G N 0.103 108.813 108.800 -0.151 0.000 2.137 94 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.237 94 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.237 94 G C -0.188 174.529 174.900 -0.306 0.000 1.002 94 G CA 0.715 45.750 45.100 -0.108 0.000 0.702 94 G HN 0.479 nan 8.290 nan 0.000 0.515 95 K N 0.015 119.961 120.400 -0.756 0.000 2.525 95 K HA 0.584 4.904 4.320 -0.000 0.000 0.254 95 K C -0.409 175.839 176.600 -0.586 0.000 0.934 95 K CA -0.506 55.469 56.287 -0.520 0.000 0.802 95 K CB 1.291 33.569 32.500 -0.369 0.000 1.295 95 K HN 0.066 nan 8.250 nan 0.000 0.433 96 S N 2.517 118.069 115.700 -0.247 0.000 2.513 96 S HA 0.371 4.841 4.470 -0.000 0.000 0.276 96 S C -1.297 173.120 174.600 -0.305 0.000 1.254 96 S CA -0.302 57.870 58.200 -0.046 0.000 1.053 96 S CB 0.228 63.474 63.200 0.077 0.000 0.958 96 S HN 0.393 nan 8.310 nan 0.000 0.491 97 Y N 2.712 123.108 120.300 0.161 0.000 2.376 97 Y HA 0.367 4.917 4.550 -0.000 0.000 0.326 97 Y C -2.467 173.646 175.900 0.355 0.000 0.970 97 Y CA -2.450 55.782 58.100 0.221 0.000 1.248 97 Y CB 1.059 39.633 38.460 0.191 0.000 1.117 97 Y HN 0.456 nan 8.280 nan 0.000 0.476 98 P HA 0.342 nan 4.420 nan 0.000 0.278 98 P C -0.953 176.654 177.300 0.513 0.000 1.238 98 P CA -0.219 63.127 63.100 0.409 0.000 0.794 98 P CB 0.746 32.676 31.700 0.384 0.000 0.955 99 F N -1.094 118.990 119.950 0.222 0.000 2.713 99 F HA 0.708 5.235 4.527 0.000 0.000 0.311 99 F C -0.977 174.910 175.800 0.144 0.000 1.141 99 F CA -1.326 56.791 58.000 0.195 0.000 0.939 99 F CB 1.493 40.613 39.000 0.199 0.000 1.325 99 F HN 0.058 nan 8.300 nan 0.000 0.453 100 R N 0.953 121.570 120.500 0.194 0.000 2.892 100 R HA 0.824 5.164 4.340 -0.000 0.000 0.265 100 R C -0.326 176.085 176.300 0.184 0.000 1.025 100 R CA -0.813 55.317 56.100 0.051 0.000 0.982 100 R CB 1.750 32.092 30.300 0.071 0.000 1.185 100 R HN 1.455 nan 8.270 nan 0.000 0.484 101 G N 1.215 110.071 108.800 0.094 0.000 2.707 101 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.686 101 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.686 101 G C -2.005 172.992 174.900 0.161 0.000 1.315 101 G CA -0.767 44.411 45.100 0.130 0.000 0.832 101 G HN 0.446 nan 8.290 nan 0.000 0.573 102 P HA 0.044 nan 4.420 nan 0.000 0.213 102 P C 0.783 178.039 177.300 -0.073 0.000 1.170 102 P CA 1.225 64.286 63.100 -0.065 0.000 0.893 102 P CB 0.048 31.638 31.700 -0.183 0.000 0.784 103 F N 0.681 120.641 119.950 0.016 0.000 2.425 103 F HA 0.395 4.922 4.527 -0.000 0.000 0.331 103 F C -1.801 173.778 175.800 -0.369 0.000 1.085 103 F CA -2.766 55.130 58.000 -0.172 0.000 1.028 103 F CB 0.318 39.106 39.000 -0.354 0.000 1.177 103 F HN -0.159 nan 8.300 nan 0.000 0.487 104 P HA 0.118 nan 4.420 nan 0.000 0.271 104 P C -2.582 174.458 177.300 -0.434 0.000 1.220 104 P CA -1.122 61.261 63.100 -1.194 0.000 0.768 104 P CB -0.072 31.015 31.700 -1.022 0.000 0.848 105 P HA 0.157 nan 4.420 nan 0.000 0.274 105 P C -0.715 176.407 177.300 -0.297 0.000 1.231 105 P CA -0.082 62.871 63.100 -0.245 0.000 0.790 105 P CB 0.730 32.311 31.700 -0.198 0.000 0.951 106 V N 1.945 121.633 119.914 -0.378 0.000 2.656 106 V HA 0.249 4.369 4.120 -0.000 0.000 0.307 106 V C 0.178 176.082 176.094 -0.317 0.000 1.051 106 V CA -0.176 61.937 62.300 -0.312 0.000 0.893 106 V CB 1.925 33.485 31.823 -0.440 0.000 0.999 106 V HN 0.691 nan 8.190 nan 0.000 0.426 107 W N 0.778 122.064 121.300 -0.024 0.000 2.728 107 W HA 0.205 4.864 4.660 -0.000 0.000 0.270 107 W C 1.372 177.883 176.519 -0.013 0.000 1.150 107 W CA -0.037 57.299 57.345 -0.015 0.000 1.518 107 W CB 0.207 29.649 29.460 -0.031 0.000 1.069 107 W HN 0.519 nan 8.180 nan 0.000 0.590 108 N N 2.987 121.804 118.700 0.194 0.000 2.357 108 N HA -0.069 4.671 4.740 -0.000 0.000 0.257 108 N C -1.423 174.151 175.510 0.105 0.000 1.250 108 N CA -0.185 52.938 53.050 0.120 0.000 0.862 108 N CB 1.338 39.874 38.487 0.083 0.000 1.066 108 N HN -0.089 nan 8.380 nan 0.000 0.468 109 P HA -0.115 nan 4.420 nan 0.000 0.217 109 P C 1.628 178.990 177.300 0.103 0.000 1.151 109 P CA 0.741 63.874 63.100 0.056 0.000 0.828 109 P CB 0.413 32.122 31.700 0.016 0.000 0.788 110 I N 0.285 120.902 120.570 0.079 0.000 2.193 110 I HA -0.141 4.029 4.170 -0.000 0.000 0.240 110 I C 2.257 178.430 176.117 0.094 0.000 1.084 110 I CA 1.662 63.003 61.300 0.068 0.000 1.365 110 I CB -2.116 35.915 38.000 0.052 0.000 1.064 110 I HN 0.006 nan 8.210 nan 0.000 0.410 111 T N 0.682 115.296 114.554 0.101 0.000 2.653 111 T HA -0.295 4.055 4.350 -0.000 0.000 0.268 111 T C 1.873 176.633 174.700 0.101 0.000 1.035 111 T CA 1.958 64.127 62.100 0.115 0.000 1.154 111 T CB -0.774 68.128 68.868 0.056 0.000 0.862 111 T HN 0.313 nan 8.240 nan 0.000 0.441 112 Y N 1.785 122.054 120.300 -0.052 0.000 2.097 112 Y HA -0.151 4.399 4.550 -0.000 0.000 0.282 112 Y C 2.134 178.024 175.900 -0.016 0.000 1.152 112 Y CA 1.259 59.310 58.100 -0.082 0.000 1.136 112 Y CB -0.531 37.864 38.460 -0.109 0.000 0.975 112 Y HN 0.127 nan 8.280 nan 0.000 0.498 113 L N -0.250 121.077 121.223 0.173 0.000 2.042 113 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 113 L C 2.195 179.046 176.870 -0.032 0.000 1.076 113 L CA 1.812 56.691 54.840 0.065 0.000 0.749 113 L CB -0.693 41.397 42.059 0.053 0.000 0.893 113 L HN 0.240 nan 8.230 nan 0.000 0.432 114 D N -0.875 119.533 120.400 0.013 0.000 2.117 114 D HA -0.195 4.445 4.640 -0.000 0.000 0.197 114 D C 2.182 178.458 176.300 -0.040 0.000 0.987 114 D CA 1.282 55.292 54.000 0.017 0.000 0.829 114 D CB 0.060 40.910 40.800 0.083 0.000 0.961 114 D HN 0.325 nan 8.370 nan 0.000 0.460 115 H N -0.417 118.539 119.070 -0.191 0.000 2.326 115 H HA -0.083 4.473 4.556 -0.000 0.000 0.301 115 H C 2.148 177.336 175.328 -0.233 0.000 1.081 115 H CA 1.054 56.957 56.048 -0.240 0.000 1.334 115 H CB -0.134 29.519 29.762 -0.182 0.000 1.385 115 H HN 0.265 nan 8.280 nan 0.000 0.504 116 N N 1.233 119.826 118.700 -0.178 0.000 2.061 116 N HA -0.193 4.547 4.740 -0.000 0.000 0.193 116 N C 1.801 177.234 175.510 -0.129 0.000 1.030 116 N CA 1.019 53.950 53.050 -0.198 0.000 0.856 116 N CB -0.221 38.054 38.487 -0.352 0.000 1.023 116 N HN 0.406 nan 8.380 nan 0.000 0.424 117 N N -0.192 118.430 118.700 -0.130 0.000 2.188 117 N HA -0.176 4.564 4.740 -0.000 0.000 0.184 117 N C 1.895 177.303 175.510 -0.170 0.000 1.018 117 N CA 0.684 53.660 53.050 -0.124 0.000 0.858 117 N CB -0.268 38.166 38.487 -0.087 0.000 0.989 117 N HN 0.244 nan 8.380 nan 0.000 0.426 118 F N 0.636 120.361 119.950 -0.376 0.000 2.102 118 F HA -0.126 4.401 4.527 -0.000 0.000 0.298 118 F C 1.716 177.202 175.800 -0.523 0.000 1.105 118 F CA 1.643 59.330 58.000 -0.523 0.000 1.239 118 F CB -0.641 37.884 39.000 -0.792 0.000 0.991 118 F HN 0.088 nan 8.300 nan 0.000 0.474 119 W N 0.473 121.575 121.300 -0.331 0.000 2.379 119 W HA -0.070 4.590 4.660 -0.000 0.000 0.307 119 W C 2.787 179.055 176.519 -0.417 0.000 1.200 119 W CA 1.216 58.281 57.345 -0.468 0.000 1.297 119 W CB -0.680 28.470 29.460 -0.517 0.000 1.140 119 W HN -0.112 nan 8.180 nan 0.000 0.507 120 R N 0.206 120.639 120.500 -0.111 0.000 2.091 120 R HA -0.153 4.187 4.340 -0.000 0.000 0.238 120 R C 1.865 178.051 176.300 -0.191 0.000 1.136 120 R CA 2.141 58.155 56.100 -0.143 0.000 0.959 120 R CB -0.649 29.566 30.300 -0.143 0.000 0.856 120 R HN 0.038 nan 8.270 nan 0.000 0.437 121 T N 1.162 115.559 114.554 -0.261 0.000 2.821 121 T HA -0.076 4.274 4.350 -0.000 0.000 0.267 121 T C 1.816 176.316 174.700 -0.332 0.000 1.046 121 T CA 1.221 63.158 62.100 -0.272 0.000 1.139 121 T CB -0.015 68.687 68.868 -0.277 0.000 0.871 121 T HN 0.183 nan 8.240 nan 0.000 0.454 122 M N 1.517 120.844 119.600 -0.456 0.000 2.108 122 M HA -0.098 4.382 4.480 -0.000 0.000 0.261 122 M C 1.758 177.927 176.300 -0.218 0.000 1.066 122 M CA 1.474 56.549 55.300 -0.376 0.000 1.107 122 M CB -0.955 31.409 32.600 -0.394 0.000 1.356 122 M HN 0.178 nan 8.290 nan 0.000 0.406 123 D N 0.493 120.791 120.400 -0.171 0.000 2.183 123 D HA -0.111 4.529 4.640 -0.000 0.000 0.203 123 D C 1.556 177.791 176.300 -0.108 0.000 0.969 123 D CA 1.002 54.929 54.000 -0.122 0.000 0.842 123 D CB -0.261 40.480 40.800 -0.099 0.000 0.957 123 D HN 0.325 nan 8.370 nan 0.000 0.484 124 D N 0.174 120.506 120.400 -0.114 0.000 2.149 124 D HA -0.039 4.601 4.640 -0.000 0.000 0.201 124 D C 2.171 178.455 176.300 -0.026 0.000 0.972 124 D CA 0.514 54.473 54.000 -0.068 0.000 0.835 124 D CB -0.168 40.591 40.800 -0.068 0.000 0.966 124 D HN 0.246 nan 8.370 nan 0.000 0.476 125 M N 0.373 119.916 119.600 -0.096 0.000 2.159 125 M HA -0.031 4.449 4.480 -0.000 0.000 0.263 125 M C 2.260 178.594 176.300 0.058 0.000 1.063 125 M CA 1.522 56.767 55.300 -0.091 0.000 1.110 125 M CB -0.319 31.915 32.600 -0.609 0.000 1.374 125 M HN 0.006 nan 8.290 nan 0.000 0.411 126 G N -0.043 108.735 108.800 -0.036 0.000 2.422 126 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.218 126 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.218 126 G C 1.601 176.507 174.900 0.011 0.000 1.140 126 G CA 0.392 45.485 45.100 -0.011 0.000 0.775 126 G HN 0.368 nan 8.290 nan 0.000 0.545 127 R N 0.062 120.561 120.500 -0.001 0.000 2.241 127 R HA -0.010 4.330 4.340 -0.000 0.000 0.224 127 R C 1.384 177.691 176.300 0.012 0.000 1.101 127 R CA 0.848 56.940 56.100 -0.014 0.000 0.995 127 R CB 0.121 30.407 30.300 -0.022 0.000 0.870 127 R HN 0.211 nan 8.270 nan 0.000 0.463 128 E N -0.045 120.203 120.200 0.079 0.000 2.465 128 E HA 0.136 4.486 4.350 -0.000 0.000 0.195 128 E C -0.254 176.368 176.600 0.037 0.000 1.028 128 E CA 0.207 56.639 56.400 0.053 0.000 0.899 128 E CB 0.581 30.333 29.700 0.086 0.000 1.032 128 E HN 0.302 nan 8.360 nan 0.000 0.468 129 I N 2.662 123.270 120.570 0.063 0.000 2.382 129 I HA 0.236 4.406 4.170 -0.000 0.000 0.285 129 I C -2.446 173.666 176.117 -0.009 0.000 1.007 129 I CA -2.371 58.962 61.300 0.055 0.000 1.142 129 I CB 1.653 39.755 38.000 0.170 0.000 1.289 129 I HN -0.343 nan 8.210 nan 0.000 0.453 130 P HA 0.139 nan 4.420 nan 0.000 0.267 130 P C 0.628 177.880 177.300 -0.080 0.000 1.209 130 P CA 0.143 63.162 63.100 -0.135 0.000 0.763 130 P CB 0.954 32.520 31.700 -0.224 0.000 0.816 131 S N 2.300 117.973 115.700 -0.045 0.000 2.374 131 S HA -0.193 4.277 4.470 -0.000 0.000 0.227 131 S C 1.273 175.946 174.600 0.120 0.000 1.037 131 S CA 1.984 60.231 58.200 0.078 0.000 1.024 131 S CB -0.658 62.494 63.200 -0.080 0.000 0.861 131 S HN 0.685 nan 8.310 nan 0.000 0.456 132 D N 0.311 120.636 120.400 -0.124 0.000 2.340 132 D HA 0.274 4.914 4.640 -0.000 0.000 0.220 132 D C 0.259 176.308 176.300 -0.418 0.000 1.039 132 D CA 0.436 54.316 54.000 -0.200 0.000 0.866 132 D CB 0.071 40.683 40.800 -0.312 0.000 0.913 132 D HN 0.295 nan 8.370 nan 0.000 0.523 133 A N 1.053 123.441 122.820 -0.719 0.000 3.208 133 A HA 0.344 4.664 4.320 -0.000 0.000 0.252 133 A C -2.207 174.518 177.584 -1.431 0.000 1.225 133 A CA -0.757 50.299 52.037 -1.634 0.000 0.980 133 A CB 0.745 19.116 19.000 -1.048 0.000 1.414 133 A HN -0.125 nan 8.150 nan 0.000 0.721 134 P HA -0.184 nan 4.420 nan 0.000 0.218 134 P C 1.113 178.197 177.300 -0.360 0.000 1.146 134 P CA 1.540 64.312 63.100 -0.546 0.000 0.813 134 P CB -0.368 30.985 31.700 -0.579 0.000 0.778 135 W N 0.190 121.396 121.300 -0.156 0.000 2.961 135 W HA 0.183 4.843 4.660 -0.000 0.000 0.240 135 W C 1.123 177.584 176.519 -0.096 0.000 1.305 135 W CA 0.141 57.419 57.345 -0.113 0.000 1.465 135 W CB -1.217 28.173 29.460 -0.117 0.000 1.135 135 W HN -0.097 nan 8.180 nan 0.000 0.688 136 K N 0.747 120.966 120.400 -0.303 0.000 2.372 136 K HA 0.353 4.673 4.320 -0.000 0.000 0.200 136 K C 0.839 177.335 176.600 -0.173 0.000 1.022 136 K CA -0.032 56.139 56.287 -0.194 0.000 1.125 136 K CB 0.244 32.590 32.500 -0.257 0.000 0.855 136 K HN 0.078 nan 8.250 nan 0.000 0.524 137 A N 2.317 125.034 122.820 -0.171 0.000 2.531 137 A HA 0.102 4.422 4.320 -0.000 0.000 0.236 137 A C -1.624 175.816 177.584 -0.240 0.000 1.062 137 A CA -0.967 50.960 52.037 -0.184 0.000 0.760 137 A CB 0.092 18.998 19.000 -0.156 0.000 0.995 137 A HN -0.020 nan 8.150 nan 0.000 0.501 138 P HA -0.167 nan 4.420 nan 0.000 0.216 138 P C 0.668 177.769 177.300 -0.332 0.000 1.157 138 P CA 1.332 64.282 63.100 -0.250 0.000 0.880 138 P CB 0.020 31.580 31.700 -0.233 0.000 0.791 139 L N -2.161 118.707 121.223 -0.591 0.000 2.783 139 L HA 0.289 4.629 4.340 -0.000 0.000 0.236 139 L C 1.957 178.458 176.870 -0.615 0.000 1.225 139 L CA -0.174 54.225 54.840 -0.735 0.000 1.026 139 L CB -0.724 40.571 42.059 -1.273 0.000 1.314 139 L HN -0.078 nan 8.230 nan 0.000 0.489 140 A N 0.808 123.425 122.820 -0.338 0.000 1.884 140 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 140 A C 2.209 179.779 177.584 -0.023 0.000 1.197 140 A CA 1.816 53.780 52.037 -0.122 0.000 0.637 140 A CB -0.204 18.776 19.000 -0.032 0.000 0.827 140 A HN 0.520 nan 8.150 nan 0.000 0.450 141 E N -0.849 119.327 120.200 -0.041 0.000 2.051 141 E HA -0.229 4.121 4.350 -0.000 0.000 0.192 141 E C 2.109 178.738 176.600 0.048 0.000 0.991 141 E CA 1.223 57.633 56.400 0.016 0.000 0.799 141 E CB -0.276 29.422 29.700 -0.003 0.000 0.748 141 E HN 0.839 nan 8.360 nan 0.000 0.449 142 E N 0.242 120.438 120.200 -0.006 0.000 2.038 142 E HA -0.196 4.154 4.350 -0.000 0.000 0.195 142 E C 1.814 178.568 176.600 0.257 0.000 1.000 142 E CA 1.235 57.678 56.400 0.072 0.000 0.803 142 E CB -0.005 29.698 29.700 0.004 0.000 0.750 142 E HN 0.284 nan 8.360 nan 0.000 0.448 143 W N 0.969 122.308 121.300 0.065 0.000 2.402 143 W HA -0.065 4.595 4.660 -0.000 0.000 0.286 143 W C 1.963 178.552 176.519 0.117 0.000 1.221 143 W CA 0.755 58.152 57.345 0.087 0.000 1.257 143 W CB -1.096 28.416 29.460 0.087 0.000 1.120 143 W HN 0.231 nan 8.180 nan 0.000 0.551 144 D N -0.319 120.274 120.400 0.323 0.000 2.269 144 D HA -0.128 4.512 4.640 -0.000 0.000 0.208 144 D C 1.338 177.765 176.300 0.211 0.000 0.963 144 D CA 0.932 55.089 54.000 0.261 0.000 0.864 144 D CB -0.224 40.701 40.800 0.208 0.000 0.936 144 D HN -0.109 nan 8.370 nan 0.000 0.505 145 N N -0.328 118.481 118.700 0.183 0.000 2.336 145 N HA 0.095 4.835 4.740 -0.000 0.000 0.189 145 N C 0.011 175.602 175.510 0.134 0.000 1.113 145 N CA 0.139 53.272 53.050 0.138 0.000 0.858 145 N CB 0.114 38.665 38.487 0.107 0.000 0.970 145 N HN 0.443 nan 8.380 nan 0.000 0.471 146 M N -1.226 118.470 119.600 0.161 0.000 2.530 146 M HA 0.475 4.955 4.480 -0.000 0.000 0.307 146 M C -0.236 176.151 176.300 0.144 0.000 1.161 146 M CA -0.805 54.575 55.300 0.134 0.000 0.903 146 M CB 1.951 34.627 32.600 0.126 0.000 1.711 146 M HN -0.118 nan 8.290 nan 0.000 0.451 147 T N -0.574 114.047 114.554 0.113 0.000 2.849 147 T HA 0.290 4.640 4.350 -0.000 0.000 0.284 147 T C 1.120 175.867 174.700 0.079 0.000 1.004 147 T CA -0.819 61.347 62.100 0.110 0.000 1.021 147 T CB 0.905 69.829 68.868 0.093 0.000 1.013 147 T HN 0.776 nan 8.240 nan 0.000 0.527 148 M N 0.425 120.059 119.600 0.057 0.000 2.202 148 M HA -0.044 4.436 4.480 -0.000 0.000 0.262 148 M C 2.194 178.474 176.300 -0.033 0.000 1.063 148 M CA 1.529 56.822 55.300 -0.012 0.000 1.097 148 M CB -1.329 31.184 32.600 -0.144 0.000 1.382 148 M HN 0.867 nan 8.290 nan 0.000 0.413 149 K N 0.620 121.010 120.400 -0.017 0.000 2.020 149 K HA -0.219 4.100 4.320 -0.000 0.000 0.212 149 K C 1.741 178.331 176.600 -0.017 0.000 1.050 149 K CA 1.882 58.162 56.287 -0.012 0.000 0.929 149 K CB -0.026 32.498 32.500 0.040 0.000 0.714 149 K HN 0.403 nan 8.250 nan 0.000 0.443 150 E N 0.483 120.685 120.200 0.005 0.000 2.051 150 E HA -0.222 4.128 4.350 -0.000 0.000 0.192 150 E C 2.046 178.641 176.600 -0.009 0.000 0.991 150 E CA 1.175 57.575 56.400 -0.000 0.000 0.799 150 E CB -0.165 29.551 29.700 0.026 0.000 0.748 150 E HN 0.179 nan 8.360 nan 0.000 0.449 151 L N 1.192 122.415 121.223 -0.000 0.000 2.013 151 L HA -0.209 4.131 4.340 -0.000 0.000 0.212 151 L C 2.072 178.939 176.870 -0.006 0.000 1.073 151 L CA 1.650 56.482 54.840 -0.014 0.000 0.753 151 L CB -0.426 41.612 42.059 -0.035 0.000 0.890 151 L HN 0.147 nan 8.230 nan 0.000 0.432 152 L N -0.921 120.295 121.223 -0.011 0.000 2.046 152 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 152 L C 2.256 179.072 176.870 -0.090 0.000 1.077 152 L CA 1.339 56.151 54.840 -0.046 0.000 0.747 152 L CB -0.996 40.993 42.059 -0.116 0.000 0.896 152 L HN 0.300 nan 8.230 nan 0.000 0.432 153 D N 0.287 120.634 120.400 -0.088 0.000 2.149 153 D HA -0.179 4.461 4.640 -0.000 0.000 0.198 153 D C 2.174 178.387 176.300 -0.145 0.000 0.990 153 D CA 1.194 55.124 54.000 -0.118 0.000 0.839 153 D CB -0.029 40.712 40.800 -0.099 0.000 0.948 153 D HN 0.312 nan 8.370 nan 0.000 0.460 154 K N 0.071 120.415 120.400 -0.093 0.000 2.031 154 K HA 0.040 4.360 4.320 -0.000 0.000 0.205 154 K C 2.345 178.919 176.600 -0.042 0.000 1.049 154 K CA 0.419 56.658 56.287 -0.080 0.000 0.939 154 K CB -0.008 32.479 32.500 -0.021 0.000 0.717 154 K HN 0.160 nan 8.250 nan 0.000 0.438 155 L N 0.449 121.680 121.223 0.014 0.000 2.131 155 L HA -0.038 4.302 4.340 -0.000 0.000 0.206 155 L C 1.024 177.991 176.870 0.162 0.000 1.087 155 L CA 0.177 55.082 54.840 0.108 0.000 0.767 155 L CB -0.022 42.110 42.059 0.122 0.000 0.917 155 L HN 0.099 nan 8.230 nan 0.000 0.441 156 C N -0.135 119.176 119.300 0.018 0.000 2.373 156 C HA 0.082 4.542 4.460 -0.000 0.000 0.354 156 C C 0.937 175.933 174.990 0.010 0.000 1.249 156 C CA -0.881 58.125 59.018 -0.020 0.000 1.784 156 C CB -0.624 26.993 27.740 -0.205 0.000 2.408 156 C HN 0.467 nan 8.230 nan 0.000 0.542 157 W N 1.922 123.175 121.300 -0.078 0.000 3.139 157 W HA 0.123 4.783 4.660 -0.000 0.000 0.260 157 W C 1.430 177.923 176.519 -0.043 0.000 1.312 157 W CA 0.156 57.471 57.345 -0.049 0.000 1.606 157 W CB -0.145 29.297 29.460 -0.029 0.000 1.118 157 W HN 0.677 nan 8.180 nan 0.000 0.675 158 T N -3.649 110.969 114.554 0.108 0.000 2.887 158 T HA 0.301 4.651 4.350 -0.000 0.000 0.288 158 T C 0.837 175.530 174.700 -0.011 0.000 1.021 158 T CA -0.638 61.499 62.100 0.063 0.000 1.000 158 T CB 2.646 71.573 68.868 0.098 0.000 1.034 158 T HN -0.258 nan 8.240 nan 0.000 0.467 159 E N 1.198 121.395 120.200 -0.005 0.000 2.085 159 E HA -0.125 4.225 4.350 -0.000 0.000 0.194 159 E C 2.170 178.760 176.600 -0.016 0.000 0.994 159 E CA 1.423 57.808 56.400 -0.024 0.000 0.801 159 E CB -0.557 29.139 29.700 -0.006 0.000 0.743 159 E HN 0.741 nan 8.360 nan 0.000 0.453 160 S N 0.352 116.077 115.700 0.042 0.000 2.369 160 S HA -0.265 4.205 4.470 -0.000 0.000 0.225 160 S C 2.045 176.676 174.600 0.051 0.000 1.043 160 S CA 2.011 60.287 58.200 0.128 0.000 1.074 160 S CB -0.222 63.114 63.200 0.226 0.000 0.962 160 S HN 0.346 nan 8.310 nan 0.000 0.433 161 A N 1.046 123.782 122.820 -0.140 0.000 1.877 161 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 161 A C 2.179 179.392 177.584 -0.619 0.000 1.186 161 A CA 1.915 53.497 52.037 -0.758 0.000 0.620 161 A CB -0.775 17.830 19.000 -0.660 0.000 0.822 161 A HN 0.637 nan 8.150 nan 0.000 0.443 162 K N -0.653 119.513 120.400 -0.390 0.000 2.103 162 K HA -0.209 4.111 4.320 -0.000 0.000 0.207 162 K C 2.251 178.692 176.600 -0.265 0.000 1.048 162 K CA 1.757 57.831 56.287 -0.356 0.000 0.930 162 K CB -0.146 32.225 32.500 -0.215 0.000 0.716 162 K HN 0.671 nan 8.250 nan 0.000 0.444 163 Q N 0.061 119.768 119.800 -0.155 0.000 2.096 163 Q HA -0.122 4.218 4.340 -0.000 0.000 0.197 163 Q C 2.056 178.044 176.000 -0.021 0.000 0.964 163 Q CA 0.858 56.630 55.803 -0.052 0.000 0.838 163 Q CB -0.033 28.716 28.738 0.019 0.000 0.906 163 Q HN 0.176 nan 8.270 nan 0.000 0.444 164 L N 0.768 121.970 121.223 -0.035 0.000 2.046 164 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 164 L C 2.131 178.998 176.870 -0.004 0.000 1.077 164 L CA 2.005 56.879 54.840 0.056 0.000 0.747 164 L CB -0.787 41.335 42.059 0.104 0.000 0.896 164 L HN 0.142 nan 8.230 nan 0.000 0.432 165 A N -1.845 120.756 122.820 -0.366 0.000 1.933 165 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 165 A C 2.259 179.772 177.584 -0.118 0.000 1.175 165 A CA 2.209 53.942 52.037 -0.508 0.000 0.628 165 A CB -1.119 17.052 19.000 -1.382 0.000 0.814 165 A HN 0.496 nan 8.150 nan 0.000 0.444 166 T N 0.116 114.589 114.554 -0.134 0.000 2.708 166 T HA -0.124 4.226 4.350 -0.000 0.000 0.266 166 T C 1.869 176.582 174.700 0.022 0.000 1.037 166 T CA 1.395 63.456 62.100 -0.065 0.000 1.146 166 T CB -0.384 68.450 68.868 -0.056 0.000 0.865 166 T HN 0.409 nan 8.240 nan 0.000 0.435 167 L N 0.112 121.390 121.223 0.092 0.000 2.046 167 L HA -0.042 4.298 4.340 -0.000 0.000 0.208 167 L C 2.260 179.243 176.870 0.188 0.000 1.077 167 L CA 1.424 56.351 54.840 0.145 0.000 0.747 167 L CB -0.389 41.786 42.059 0.194 0.000 0.896 167 L HN 0.214 nan 8.230 nan 0.000 0.432 168 F N 0.035 120.063 119.950 0.129 0.000 2.091 168 F HA -0.276 4.251 4.527 -0.000 0.000 0.299 168 F C 2.109 178.026 175.800 0.195 0.000 1.103 168 F CA 2.262 60.398 58.000 0.226 0.000 1.228 168 F CB -0.599 38.685 39.000 0.473 0.000 0.984 168 F HN -0.121 nan 8.300 nan 0.000 0.477 169 V N 0.845 120.735 119.914 -0.040 0.000 2.295 169 V HA -0.347 3.772 4.120 -0.000 0.000 0.246 169 V C 2.014 178.012 176.094 -0.160 0.000 1.049 169 V CA 2.435 64.549 62.300 -0.310 0.000 1.024 169 V CB -1.078 30.455 31.823 -0.483 0.000 0.648 169 V HN 0.418 nan 8.190 nan 0.000 0.447 170 N N 0.076 118.717 118.700 -0.099 0.000 2.120 170 N HA -0.194 4.546 4.740 -0.000 0.000 0.188 170 N C 1.775 177.237 175.510 -0.079 0.000 1.024 170 N CA 1.253 54.255 53.050 -0.080 0.000 0.852 170 N CB -0.206 38.274 38.487 -0.013 0.000 1.003 170 N HN 0.334 nan 8.380 nan 0.000 0.424 171 L N 0.896 122.090 121.223 -0.048 0.000 2.056 171 L HA -0.055 4.285 4.340 -0.000 0.000 0.207 171 L C 2.034 178.899 176.870 -0.007 0.000 1.078 171 L CA 1.525 56.337 54.840 -0.046 0.000 0.749 171 L CB -0.589 41.414 42.059 -0.092 0.000 0.901 171 L HN 0.227 nan 8.230 nan 0.000 0.433 172 C N -1.399 117.859 119.300 -0.070 0.000 2.446 172 C HA -0.015 4.445 4.460 -0.000 0.000 0.277 172 C C 2.195 177.268 174.990 0.138 0.000 1.275 172 C CA 0.915 59.943 59.018 0.016 0.000 1.727 172 C CB -0.580 27.078 27.740 -0.137 0.000 2.010 172 C HN 0.567 nan 8.230 nan 0.000 0.486 173 V N -1.955 117.971 119.914 0.020 0.000 3.166 173 V HA 0.300 4.420 4.120 -0.000 0.000 0.332 173 V C 0.686 176.655 176.094 -0.208 0.000 1.434 173 V CA 0.701 62.978 62.300 -0.039 0.000 1.121 173 V CB -1.395 30.517 31.823 0.148 0.000 1.062 173 V HN 0.527 nan 8.190 nan 0.000 0.489 174 T N -1.159 113.185 114.554 -0.350 0.000 3.639 174 T HA -0.038 4.312 4.350 -0.000 0.000 0.386 174 T C 0.102 174.628 174.700 -0.290 0.000 0.764 174 T CA 1.253 63.119 62.100 -0.390 0.000 1.954 174 T CB -2.518 65.970 68.868 -0.633 0.000 1.755 174 T HN 2.483 nan 8.240 nan 0.000 0.715 175 A N -0.028 122.619 122.820 -0.288 0.000 2.612 175 A HA 0.711 5.031 4.320 -0.000 0.000 0.293 175 A C -0.451 176.926 177.584 -0.345 0.000 1.075 175 A CA -1.078 50.705 52.037 -0.425 0.000 0.680 175 A CB 1.235 19.769 19.000 -0.776 0.000 1.279 175 A HN 0.347 nan 8.150 nan 0.000 0.411 176 E N 0.395 120.346 120.200 -0.416 0.000 2.345 176 E HA 0.274 4.624 4.350 -0.000 0.000 0.259 176 E C 1.264 177.604 176.600 -0.434 0.000 1.117 176 E CA 0.495 56.648 56.400 -0.412 0.000 0.913 176 E CB 0.846 30.139 29.700 -0.679 0.000 1.057 176 E HN 0.805 nan 8.360 nan 0.000 0.432 177 T N -1.469 112.917 114.554 -0.281 0.000 2.833 177 T HA -0.196 4.154 4.350 -0.000 0.000 0.269 177 T C 1.447 176.057 174.700 -0.150 0.000 1.054 177 T CA 1.637 63.616 62.100 -0.202 0.000 1.135 177 T CB -0.380 68.412 68.868 -0.126 0.000 0.869 177 T HN 0.602 nan 8.240 nan 0.000 0.466 178 H N 0.767 119.792 119.070 -0.075 0.000 2.555 178 H HA 0.247 4.803 4.556 -0.000 0.000 0.269 178 H C 1.430 176.741 175.328 -0.028 0.000 0.988 178 H CA 0.781 56.802 56.048 -0.044 0.000 1.178 178 H CB -0.239 29.494 29.762 -0.048 0.000 1.373 178 H HN 0.504 nan 8.280 nan 0.000 0.588 179 E N 1.309 121.283 120.200 -0.377 0.000 2.299 179 E HA 0.037 4.387 4.350 -0.000 0.000 0.193 179 E C 0.768 177.347 176.600 -0.035 0.000 0.998 179 E CA 0.524 56.801 56.400 -0.205 0.000 0.851 179 E CB 0.719 30.155 29.700 -0.440 0.000 0.795 179 E HN 0.375 nan 8.360 nan 0.000 0.492 180 V N -1.405 118.493 119.914 -0.027 0.000 2.715 180 V HA 0.426 4.546 4.120 -0.000 0.000 0.310 180 V C -0.083 176.165 176.094 0.256 0.000 1.054 180 V CA -1.185 61.205 62.300 0.151 0.000 0.928 180 V CB 1.906 33.863 31.823 0.223 0.000 1.007 180 V HN -0.057 nan 8.190 nan 0.000 0.437 181 S N 3.260 119.182 115.700 0.370 0.000 2.537 181 S HA 0.419 4.889 4.470 -0.000 0.000 0.286 181 S C 1.480 176.350 174.600 0.450 0.000 1.299 181 S CA 0.221 58.656 58.200 0.391 0.000 1.067 181 S CB 0.876 64.346 63.200 0.449 0.000 0.864 181 S HN 1.773 nan 8.310 nan 0.000 0.494 182 A N 5.076 128.088 122.820 0.320 0.000 1.902 182 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 182 A C 2.013 179.791 177.584 0.323 0.000 1.181 182 A CA 1.641 53.839 52.037 0.268 0.000 0.623 182 A CB -0.870 18.210 19.000 0.134 0.000 0.818 182 A HN 0.952 nan 8.150 nan 0.000 0.443 183 L N -1.442 120.016 121.223 0.391 0.000 2.012 183 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 183 L C 2.239 179.356 176.870 0.412 0.000 1.073 183 L CA 2.599 57.695 54.840 0.427 0.000 0.748 183 L CB -0.773 41.532 42.059 0.410 0.000 0.891 183 L HN 0.654 nan 8.230 nan 0.000 0.431 184 W N -0.449 121.030 121.300 0.298 0.000 2.355 184 W HA -0.288 4.372 4.660 -0.000 0.000 0.309 184 W C 2.360 179.169 176.519 0.483 0.000 1.206 184 W CA 1.982 59.529 57.345 0.335 0.000 1.284 184 W CB -0.758 28.895 29.460 0.321 0.000 1.145 184 W HN 0.289 nan 8.180 nan 0.000 0.502 185 F N 0.758 120.840 119.950 0.220 0.000 2.134 185 F HA -0.196 4.331 4.527 -0.000 0.000 0.299 185 F C 2.094 177.851 175.800 -0.073 0.000 1.097 185 F CA 2.164 60.104 58.000 -0.100 0.000 1.264 185 F CB -0.578 38.491 39.000 0.115 0.000 1.001 185 F HN -0.162 nan 8.300 nan 0.000 0.479 186 L N -1.394 119.890 121.223 0.101 0.000 2.141 186 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 186 L C 2.228 179.052 176.870 -0.077 0.000 1.094 186 L CA 1.425 56.257 54.840 -0.013 0.000 0.763 186 L CB -0.844 41.215 42.059 0.001 0.000 0.908 186 L HN 0.460 nan 8.230 nan 0.000 0.437 187 W N -0.238 120.942 121.300 -0.201 0.000 2.409 187 W HA -0.258 4.402 4.660 -0.000 0.000 0.299 187 W C 2.566 178.862 176.519 -0.370 0.000 1.203 187 W CA 1.154 58.357 57.345 -0.235 0.000 1.298 187 W CB -0.538 28.814 29.460 -0.179 0.000 1.127 187 W HN 0.081 nan 8.180 nan 0.000 0.528 188 Y N 0.889 120.742 120.300 -0.745 0.000 2.114 188 Y HA -0.318 4.232 4.550 -0.000 0.000 0.282 188 Y C 2.365 177.705 175.900 -0.933 0.000 1.165 188 Y CA 3.149 60.579 58.100 -1.117 0.000 1.148 188 Y CB -0.802 36.919 38.460 -1.231 0.000 0.972 188 Y HN -0.135 nan 8.280 nan 0.000 0.504 189 V N 0.942 120.446 119.914 -0.684 0.000 2.307 189 V HA -0.287 3.833 4.120 -0.000 0.000 0.245 189 V C 2.502 178.284 176.094 -0.519 0.000 1.045 189 V CA 2.214 64.202 62.300 -0.520 0.000 1.024 189 V CB -0.743 30.880 31.823 -0.334 0.000 0.651 189 V HN 0.315 nan 8.190 nan 0.000 0.449 190 K N 1.274 121.390 120.400 -0.472 0.000 2.063 190 K HA -0.259 4.061 4.320 -0.000 0.000 0.208 190 K C 2.130 178.402 176.600 -0.546 0.000 1.048 190 K CA 2.354 58.398 56.287 -0.404 0.000 0.928 190 K CB -0.237 32.097 32.500 -0.276 0.000 0.713 190 K HN 0.722 nan 8.250 nan 0.000 0.442 191 Q N -0.756 118.560 119.800 -0.805 0.000 2.482 191 Q HA 0.001 4.341 4.340 -0.000 0.000 0.209 191 Q C 1.400 176.866 176.000 -0.889 0.000 0.961 191 Q CA 0.961 56.273 55.803 -0.817 0.000 0.945 191 Q CB -0.516 27.533 28.738 -1.147 0.000 1.012 191 Q HN 0.162 nan 8.270 nan 0.000 0.515 192 C N 0.062 118.702 119.300 -1.100 0.000 2.754 192 C HA 0.630 5.090 4.460 -0.000 0.000 0.276 192 C C 1.510 175.780 174.990 -1.199 0.000 1.264 192 C CA 0.056 58.031 59.018 -1.738 0.000 1.700 192 C CB -0.818 25.933 27.740 -1.648 0.000 1.885 192 C HN 0.815 nan 8.230 nan 0.000 0.607 193 G N 0.236 108.652 108.800 -0.640 0.000 2.141 193 G HA2 0.302 4.262 3.960 -0.000 0.000 0.231 193 G HA3 0.302 4.262 3.960 -0.000 0.000 0.231 193 G C 0.435 175.188 174.900 -0.245 0.000 0.984 193 G CA 0.007 44.902 45.100 -0.343 0.000 0.660 193 G HN 1.665 nan 8.290 nan 0.000 0.525 194 G N -2.262 106.378 108.800 -0.266 0.000 2.541 194 G HA2 0.354 4.314 3.960 -0.000 0.000 0.686 194 G HA3 0.354 4.314 3.960 -0.000 0.000 0.686 194 G C 0.983 175.843 174.900 -0.067 0.000 1.286 194 G CA 0.875 45.885 45.100 -0.151 0.000 0.894 194 G HN 1.811 nan 8.290 nan 0.000 0.575 195 T N -2.597 111.966 114.554 0.017 0.000 2.684 195 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 195 T C 2.331 177.082 174.700 0.085 0.000 1.036 195 T CA 2.969 65.140 62.100 0.120 0.000 1.148 195 T CB -0.795 68.131 68.868 0.096 0.000 0.863 195 T HN 0.912 nan 8.240 nan 0.000 0.436 196 T N 1.337 115.918 114.554 0.044 0.000 2.674 196 T HA -0.036 4.314 4.350 -0.000 0.000 0.265 196 T C 2.144 176.829 174.700 -0.025 0.000 1.039 196 T CA 1.552 63.659 62.100 0.011 0.000 1.150 196 T CB -0.335 68.548 68.868 0.025 0.000 0.864 196 T HN 0.304 nan 8.240 nan 0.000 0.427 197 R N 0.890 121.384 120.500 -0.010 0.000 2.081 197 R HA 0.100 4.440 4.340 -0.000 0.000 0.235 197 R C 2.209 178.557 176.300 0.079 0.000 1.131 197 R CA 1.257 57.372 56.100 0.025 0.000 0.960 197 R CB -0.870 29.426 30.300 -0.006 0.000 0.856 197 R HN 0.471 nan 8.270 nan 0.000 0.436 198 I N -0.590 119.998 120.570 0.031 0.000 2.353 198 I HA -0.112 4.058 4.170 -0.000 0.000 0.248 198 I C 1.455 177.654 176.117 0.135 0.000 1.119 198 I CA 1.401 62.763 61.300 0.103 0.000 1.417 198 I CB -0.033 37.995 38.000 0.046 0.000 1.078 198 I HN 0.312 nan 8.210 nan 0.000 0.421 199 A N -0.769 122.097 122.820 0.077 0.000 2.195 199 A HA 0.191 4.511 4.320 -0.000 0.000 0.210 199 A C 1.215 178.724 177.584 -0.124 0.000 1.165 199 A CA 0.022 52.046 52.037 -0.022 0.000 0.806 199 A CB -0.141 18.760 19.000 -0.165 0.000 0.847 199 A HN 0.337 nan 8.150 nan 0.000 0.482 200 S N -0.375 115.268 115.700 -0.095 0.000 2.601 200 S HA 0.391 4.861 4.470 -0.000 0.000 0.271 200 S C 1.098 175.662 174.600 -0.060 0.000 1.305 200 S CA -0.064 58.076 58.200 -0.099 0.000 1.022 200 S CB 1.461 64.612 63.200 -0.082 0.000 0.940 200 S HN 0.466 nan 8.310 nan 0.000 0.525 201 T N 1.568 116.084 114.554 -0.064 0.000 3.246 201 T HA 0.065 4.415 4.350 -0.000 0.000 0.231 201 T C 0.469 175.134 174.700 -0.058 0.000 0.986 201 T CA 0.401 62.459 62.100 -0.070 0.000 1.340 201 T CB -0.424 68.401 68.868 -0.072 0.000 1.063 201 T HN 0.590 nan 8.240 nan 0.000 0.427 202 T N 3.760 118.285 114.554 -0.048 0.000 2.831 202 T HA 0.139 4.489 4.350 -0.000 0.000 0.291 202 T C 0.737 175.418 174.700 -0.031 0.000 0.981 202 T CA 0.411 62.490 62.100 -0.035 0.000 1.174 202 T CB -0.109 68.745 68.868 -0.025 0.000 0.929 202 T HN 0.524 nan 8.240 nan 0.000 0.532 203 N N 0.750 119.433 118.700 -0.029 0.000 2.878 203 N HA -0.145 4.595 4.740 -0.000 0.000 0.247 203 N C 0.251 175.756 175.510 -0.008 0.000 1.021 203 N CA 1.535 54.575 53.050 -0.017 0.000 0.873 203 N CB -1.121 37.361 38.487 -0.009 0.000 1.128 203 N HN 0.895 nan 8.380 nan 0.000 0.571 204 G N -2.682 106.106 108.800 -0.019 0.000 3.251 204 G HA2 0.579 4.539 3.960 -0.000 0.000 0.248 204 G HA3 0.579 4.539 3.960 -0.000 0.000 0.248 204 G C 1.019 175.906 174.900 -0.021 0.000 1.320 204 G CA -0.027 45.080 45.100 0.011 0.000 0.982 204 G HN 0.293 nan 8.290 nan 0.000 0.575 205 G N -1.023 107.799 108.800 0.037 0.000 2.470 205 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.220 205 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.220 205 G C 1.173 176.028 174.900 -0.075 0.000 1.121 205 G CA 0.715 45.764 45.100 -0.085 0.000 0.766 205 G HN 0.490 nan 8.290 nan 0.000 0.553 206 Q N -0.401 119.353 119.800 -0.076 0.000 2.212 206 Q HA 0.240 4.580 4.340 -0.000 0.000 0.213 206 Q C 1.639 177.574 176.000 -0.107 0.000 0.874 206 Q CA -0.255 55.452 55.803 -0.160 0.000 0.965 206 Q CB 0.570 29.122 28.738 -0.309 0.000 1.074 206 Q HN 0.580 nan 8.270 nan 0.000 0.473 207 E N 1.075 121.219 120.200 -0.094 0.000 2.110 207 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 207 E C 0.024 176.559 176.600 -0.108 0.000 0.988 207 E CA 0.879 57.224 56.400 -0.092 0.000 0.804 207 E CB 0.457 30.098 29.700 -0.098 0.000 0.745 207 E HN 0.167 nan 8.360 nan 0.000 0.458 208 R N -0.837 119.577 120.500 -0.144 0.000 2.740 208 R HA 0.431 4.771 4.340 -0.000 0.000 0.273 208 R C -1.185 174.878 176.300 -0.396 0.000 0.998 208 R CA -0.723 55.201 56.100 -0.293 0.000 0.900 208 R CB 2.032 32.144 30.300 -0.314 0.000 1.223 208 R HN -0.175 nan 8.270 nan 0.000 0.466 209 K N 0.985 120.983 120.400 -0.670 0.000 2.340 209 K HA 0.434 4.754 4.320 -0.000 0.000 0.244 209 K C -1.043 175.218 176.600 -0.565 0.000 0.973 209 K CA -0.679 55.210 56.287 -0.664 0.000 0.828 209 K CB 1.560 33.698 32.500 -0.602 0.000 1.226 209 K HN 0.270 nan 8.250 nan 0.000 0.437 210 F N 1.191 121.070 119.950 -0.118 0.000 2.456 210 F HA 0.104 4.631 4.527 -0.000 0.000 0.358 210 F C 0.579 176.438 175.800 0.098 0.000 1.095 210 F CA -0.895 57.094 58.000 -0.019 0.000 1.216 210 F CB 0.779 39.745 39.000 -0.056 0.000 1.125 210 F HN 0.019 nan 8.300 nan 0.000 0.549 211 V N 3.806 123.932 119.914 0.354 0.000 2.540 211 V HA 0.213 4.333 4.120 -0.000 0.000 0.297 211 V C 0.955 176.947 176.094 -0.170 0.000 1.024 211 V CA 1.216 63.644 62.300 0.213 0.000 1.105 211 V CB 0.244 32.164 31.823 0.162 0.000 0.938 211 V HN 1.106 nan 8.190 nan 0.000 0.482 212 G N 3.419 111.699 108.800 -0.865 0.000 2.199 212 G HA2 0.113 4.073 3.960 -0.000 0.000 0.254 212 G HA3 0.113 4.073 3.960 -0.000 0.000 0.254 212 G C 0.775 175.192 174.900 -0.805 0.000 0.982 212 G CA -0.068 44.232 45.100 -1.333 0.000 0.632 212 G HN 2.417 nan 8.290 nan 0.000 0.529 213 G N -1.494 107.129 108.800 -0.295 0.000 2.770 213 G HA2 0.392 4.352 3.960 -0.000 0.000 0.686 213 G HA3 0.392 4.352 3.960 -0.000 0.000 0.686 213 G C 0.798 175.732 174.900 0.057 0.000 1.180 213 G CA 0.862 45.965 45.100 0.004 0.000 0.767 213 G HN 1.871 nan 8.290 nan 0.000 0.646 214 S N 0.309 116.107 115.700 0.164 0.000 2.447 214 S HA 0.075 4.545 4.470 -0.000 0.000 0.233 214 S C 2.567 177.178 174.600 0.019 0.000 1.006 214 S CA 1.780 60.084 58.200 0.174 0.000 0.957 214 S CB -0.168 63.184 63.200 0.253 0.000 0.773 214 S HN 2.196 nan 8.310 nan 0.000 0.507 215 G N 1.327 110.144 108.800 0.029 0.000 2.462 215 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.220 215 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.220 215 G C 1.452 176.335 174.900 -0.029 0.000 1.121 215 G CA 0.755 45.873 45.100 0.030 0.000 0.758 215 G HN 0.648 nan 8.290 nan 0.000 0.559 216 Q N -0.235 119.511 119.800 -0.090 0.000 2.170 216 Q HA -0.060 4.280 4.340 -0.000 0.000 0.203 216 Q C 2.771 178.678 176.000 -0.156 0.000 0.976 216 Q CA 1.076 56.801 55.803 -0.129 0.000 0.858 216 Q CB -0.217 28.415 28.738 -0.176 0.000 0.907 216 Q HN 0.415 nan 8.270 nan 0.000 0.433 217 V N 0.448 120.239 119.914 -0.206 0.000 2.231 217 V HA -0.321 3.799 4.120 -0.000 0.000 0.248 217 V C 2.140 178.172 176.094 -0.104 0.000 1.054 217 V CA 2.258 64.439 62.300 -0.199 0.000 1.015 217 V CB -0.660 31.033 31.823 -0.217 0.000 0.638 217 V HN 0.320 nan 8.190 nan 0.000 0.444 218 S N -0.823 114.843 115.700 -0.057 0.000 2.387 218 S HA -0.174 4.296 4.470 -0.000 0.000 0.226 218 S C 1.895 176.475 174.600 -0.033 0.000 1.026 218 S CA 1.363 59.546 58.200 -0.029 0.000 0.972 218 S CB -0.276 62.929 63.200 0.008 0.000 0.814 218 S HN 0.687 nan 8.310 nan 0.000 0.477 219 E N 1.170 121.351 120.200 -0.031 0.000 2.077 219 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 219 E C 2.323 178.894 176.600 -0.048 0.000 0.989 219 E CA 0.925 57.307 56.400 -0.030 0.000 0.800 219 E CB -0.087 29.597 29.700 -0.026 0.000 0.746 219 E HN 0.369 nan 8.360 nan 0.000 0.452 220 R N 0.236 120.695 120.500 -0.068 0.000 2.115 220 R HA -0.032 4.308 4.340 -0.000 0.000 0.230 220 R C 2.337 178.594 176.300 -0.071 0.000 1.111 220 R CA 0.893 56.949 56.100 -0.072 0.000 0.976 220 R CB -0.174 30.072 30.300 -0.089 0.000 0.870 220 R HN 0.222 nan 8.270 nan 0.000 0.445 221 I N 0.565 121.091 120.570 -0.072 0.000 2.315 221 I HA -0.261 3.909 4.170 -0.000 0.000 0.248 221 I C 2.633 178.701 176.117 -0.082 0.000 1.117 221 I CA 1.077 62.331 61.300 -0.077 0.000 1.404 221 I CB -0.210 37.750 38.000 -0.067 0.000 1.071 221 I HN 0.211 nan 8.210 nan 0.000 0.419 222 M N 0.871 120.432 119.600 -0.064 0.000 2.159 222 M HA -0.240 4.240 4.480 -0.000 0.000 0.263 222 M C 1.599 177.861 176.300 -0.062 0.000 1.063 222 M CA 1.915 57.179 55.300 -0.060 0.000 1.110 222 M CB -0.202 32.374 32.600 -0.040 0.000 1.374 222 M HN 0.166 nan 8.290 nan 0.000 0.411 223 D N 0.661 121.027 120.400 -0.057 0.000 2.117 223 D HA -0.142 4.498 4.640 -0.000 0.000 0.197 223 D C 2.047 178.310 176.300 -0.062 0.000 0.987 223 D CA 1.355 55.325 54.000 -0.050 0.000 0.829 223 D CB -0.473 40.300 40.800 -0.044 0.000 0.961 223 D HN 0.417 nan 8.370 nan 0.000 0.460 224 L N 0.253 121.427 121.223 -0.082 0.000 2.012 224 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 224 L C 2.508 179.278 176.870 -0.167 0.000 1.073 224 L CA 0.863 55.638 54.840 -0.107 0.000 0.748 224 L CB -0.357 41.623 42.059 -0.130 0.000 0.891 224 L HN 0.023 nan 8.230 nan 0.000 0.431 225 L N -1.051 120.059 121.223 -0.190 0.000 2.395 225 L HA 0.064 4.404 4.340 -0.000 0.000 0.218 225 L C 1.710 178.515 176.870 -0.108 0.000 1.130 225 L CA 0.440 55.146 54.840 -0.224 0.000 0.826 225 L CB -0.935 41.007 42.059 -0.194 0.000 0.941 225 L HN 0.488 nan 8.230 nan 0.000 0.451 226 G N 1.964 110.722 108.800 -0.070 0.000 2.611 226 G HA2 -0.456 3.504 3.960 -0.000 0.000 0.301 226 G HA3 -0.456 3.504 3.960 -0.000 0.000 0.301 226 G C 0.400 175.285 174.900 -0.025 0.000 1.233 226 G CA 0.639 45.718 45.100 -0.035 0.000 0.993 226 G HN 0.543 nan 8.290 nan 0.000 0.553 227 D N 0.547 120.943 120.400 -0.007 0.000 2.363 227 D HA 0.091 4.731 4.640 -0.000 0.000 0.226 227 D C 2.017 178.323 176.300 0.011 0.000 1.020 227 D CA 0.678 54.681 54.000 0.005 0.000 0.892 227 D CB -0.237 40.573 40.800 0.017 0.000 0.900 227 D HN 0.601 nan 8.370 nan 0.000 0.531 228 R N -0.083 120.417 120.500 -0.001 0.000 2.237 228 R HA 0.070 4.410 4.340 -0.000 0.000 0.219 228 R C 0.081 176.366 176.300 -0.025 0.000 1.080 228 R CA 0.353 56.454 56.100 0.001 0.000 0.995 228 R CB 0.191 30.485 30.300 -0.011 0.000 0.875 228 R HN 0.129 nan 8.270 nan 0.000 0.462 229 V N 2.380 122.272 119.914 -0.037 0.000 2.407 229 V HA 0.162 4.282 4.120 -0.000 0.000 0.278 229 V C -0.176 175.891 176.094 -0.044 0.000 1.037 229 V CA -0.529 61.739 62.300 -0.053 0.000 0.900 229 V CB 1.624 33.417 31.823 -0.050 0.000 0.983 229 V HN 0.011 nan 8.190 nan 0.000 0.459 230 K N 6.159 126.516 120.400 -0.071 0.000 2.449 230 K HA 0.541 4.861 4.320 -0.000 0.000 0.257 230 K C -0.794 175.763 176.600 -0.071 0.000 0.989 230 K CA -0.339 55.914 56.287 -0.057 0.000 0.916 230 K CB 1.921 34.370 32.500 -0.085 0.000 1.136 230 K HN 0.502 nan 8.250 nan 0.000 0.439 231 L N 1.728 122.922 121.223 -0.048 0.000 2.418 231 L HA 0.155 4.495 4.340 -0.000 0.000 0.265 231 L C 0.738 177.571 176.870 -0.062 0.000 1.143 231 L CA -0.049 54.757 54.840 -0.057 0.000 0.809 231 L CB 0.280 42.317 42.059 -0.037 0.000 1.124 231 L HN 0.699 nan 8.230 nan 0.000 0.456 232 E N 0.582 120.729 120.200 -0.088 0.000 2.476 232 E HA -0.241 4.109 4.350 -0.000 0.000 0.251 232 E C -0.471 176.075 176.600 -0.090 0.000 1.130 232 E CA 0.264 56.609 56.400 -0.091 0.000 0.736 232 E CB -0.964 28.706 29.700 -0.050 0.000 1.298 232 E HN 0.375 nan 8.360 nan 0.000 0.400 233 R N 0.271 120.700 120.500 -0.118 0.000 2.587 233 R HA 0.246 4.586 4.340 -0.000 0.000 0.283 233 R C -2.698 173.513 176.300 -0.149 0.000 1.472 233 R CA -1.968 54.068 56.100 -0.107 0.000 1.578 233 R CB 0.623 30.860 30.300 -0.105 0.000 1.130 233 R HN -0.021 nan 8.270 nan 0.000 0.602 234 P HA 0.004 nan 4.420 nan 0.000 0.271 234 P C -0.230 177.031 177.300 -0.065 0.000 1.233 234 P CA -0.150 62.847 63.100 -0.171 0.000 0.764 234 P CB 0.864 32.489 31.700 -0.124 0.000 0.825 235 V N 5.675 125.558 119.914 -0.052 0.000 2.585 235 V HA -0.016 4.104 4.120 -0.000 0.000 0.296 235 V C 1.800 177.910 176.094 0.026 0.000 1.035 235 V CA 0.663 62.951 62.300 -0.020 0.000 1.084 235 V CB 0.077 31.877 31.823 -0.039 0.000 0.953 235 V HN 0.544 nan 8.190 nan 0.000 0.483 236 I N 1.975 122.572 120.570 0.046 0.000 4.312 236 I HA 0.434 4.604 4.170 -0.000 0.000 0.324 236 I C 0.023 176.235 176.117 0.159 0.000 1.298 236 I CA 0.131 61.493 61.300 0.104 0.000 1.231 236 I CB 0.685 38.728 38.000 0.073 0.000 1.152 236 I HN 0.503 nan 8.210 nan 0.000 0.421 237 Y N 2.058 122.306 120.300 -0.085 0.000 2.390 237 Y HA 0.665 5.215 4.550 -0.000 0.000 0.324 237 Y C -1.977 173.840 175.900 -0.139 0.000 1.151 237 Y CA -1.776 56.258 58.100 -0.109 0.000 1.053 237 Y CB 1.506 39.935 38.460 -0.051 0.000 1.277 237 Y HN -0.004 nan 8.280 nan 0.000 0.432 238 I N 6.059 126.223 120.570 -0.676 0.000 2.439 238 I HA 0.268 4.438 4.170 -0.000 0.000 0.285 238 I C -1.257 174.480 176.117 -0.632 0.000 1.021 238 I CA -0.692 60.259 61.300 -0.582 0.000 1.091 238 I CB 1.748 39.550 38.000 -0.331 0.000 1.242 238 I HN 0.538 nan 8.210 nan 0.000 0.439 239 D N 6.418 126.452 120.400 -0.611 0.000 2.381 239 D HA 0.226 4.866 4.640 -0.000 0.000 0.235 239 D C -0.080 176.151 176.300 -0.115 0.000 1.068 239 D CA -0.151 53.642 54.000 -0.344 0.000 0.832 239 D CB 1.515 42.125 40.800 -0.317 0.000 1.101 239 D HN 0.491 nan 8.370 nan 0.000 0.515 240 Q N 1.906 121.689 119.800 -0.029 0.000 2.204 240 Q HA 0.058 4.398 4.340 -0.000 0.000 0.209 240 Q C 1.260 177.269 176.000 0.014 0.000 0.861 240 Q CA 0.022 55.827 55.803 0.003 0.000 0.971 240 Q CB 0.680 29.440 28.738 0.037 0.000 1.095 240 Q HN 0.598 nan 8.270 nan 0.000 0.486 241 T N -2.555 112.010 114.554 0.020 0.000 2.985 241 T HA 0.049 4.399 4.350 -0.000 0.000 0.266 241 T C 1.070 175.781 174.700 0.018 0.000 1.076 241 T CA 0.343 62.461 62.100 0.030 0.000 1.135 241 T CB 0.272 69.169 68.868 0.047 0.000 0.890 241 T HN 0.075 nan 8.240 nan 0.000 0.480 242 R N 0.540 121.045 120.500 0.008 0.000 2.602 242 R HA 0.431 4.771 4.340 -0.000 0.000 0.237 242 R C 1.789 178.081 176.300 -0.014 0.000 1.219 242 R CA -0.542 55.559 56.100 0.001 0.000 1.121 242 R CB 0.511 30.813 30.300 0.003 0.000 1.408 242 R HN 0.197 nan 8.270 nan 0.000 0.559 243 E N 0.754 120.943 120.200 -0.018 0.000 2.072 243 E HA -0.136 4.214 4.350 -0.000 0.000 0.191 243 E C -0.309 176.257 176.600 -0.056 0.000 0.985 243 E CA 1.005 57.386 56.400 -0.033 0.000 0.801 243 E CB 0.165 29.849 29.700 -0.027 0.000 0.750 243 E HN 0.313 nan 8.360 nan 0.000 0.452 244 N N 0.728 119.400 118.700 -0.047 0.000 2.509 244 N HA 0.146 4.886 4.740 -0.000 0.000 0.287 244 N C -0.830 174.651 175.510 -0.049 0.000 1.121 244 N CA -0.272 52.743 53.050 -0.058 0.000 0.977 244 N CB 1.989 40.452 38.487 -0.040 0.000 1.167 244 N HN -0.114 nan 8.380 nan 0.000 0.476 245 V N 2.341 122.220 119.914 -0.057 0.000 2.555 245 V HA 0.147 4.267 4.120 -0.000 0.000 0.286 245 V C 0.374 176.452 176.094 -0.028 0.000 1.044 245 V CA -0.491 61.786 62.300 -0.039 0.000 1.026 245 V CB 0.774 32.582 31.823 -0.025 0.000 0.981 245 V HN 0.427 nan 8.190 nan 0.000 0.480 246 L N 6.515 127.709 121.223 -0.049 0.000 2.307 246 L HA 0.738 5.078 4.340 -0.000 0.000 0.284 246 L C -0.578 176.242 176.870 -0.083 0.000 1.023 246 L CA 0.115 54.932 54.840 -0.039 0.000 0.810 246 L CB 1.768 43.812 42.059 -0.026 0.000 1.231 246 L HN 0.444 nan 8.230 nan 0.000 0.423 247 V N 4.713 124.630 119.914 0.004 0.000 2.531 247 V HA 0.513 4.633 4.120 -0.000 0.000 0.301 247 V C -0.482 175.677 176.094 0.108 0.000 1.034 247 V CA -0.628 61.673 62.300 0.001 0.000 0.865 247 V CB 1.581 33.420 31.823 0.027 0.000 0.995 247 V HN 0.837 nan 8.190 nan 0.000 0.424 248 E N 2.755 123.015 120.200 0.099 0.000 2.227 248 E HA 0.707 5.057 4.350 -0.000 0.000 0.268 248 E C -0.496 176.176 176.600 0.120 0.000 0.907 248 E CA -0.472 56.031 56.400 0.172 0.000 0.786 248 E CB 2.153 32.001 29.700 0.247 0.000 1.191 248 E HN 0.827 nan 8.360 nan 0.000 0.411 249 T N 0.882 115.503 114.554 0.112 0.000 2.948 249 T HA 0.207 4.557 4.350 -0.000 0.000 0.285 249 T C 1.032 175.701 174.700 -0.051 0.000 1.019 249 T CA -0.838 61.282 62.100 0.033 0.000 1.013 249 T CB 1.160 70.052 68.868 0.041 0.000 1.117 249 T HN 0.454 nan 8.240 nan 0.000 0.533 250 L N 1.381 122.552 121.223 -0.087 0.000 2.043 250 L HA -0.085 4.255 4.340 -0.000 0.000 0.212 250 L C 1.872 178.495 176.870 -0.411 0.000 1.075 250 L CA 1.972 56.711 54.840 -0.168 0.000 0.752 250 L CB -0.990 41.023 42.059 -0.077 0.000 0.891 250 L HN 0.884 nan 8.230 nan 0.000 0.432 251 N N -1.249 117.271 118.700 -0.301 0.000 2.416 251 N HA -0.109 4.631 4.740 -0.000 0.000 0.215 251 N C -0.177 175.186 175.510 -0.244 0.000 1.208 251 N CA 0.630 53.493 53.050 -0.312 0.000 0.834 251 N CB -0.678 37.767 38.487 -0.071 0.000 1.072 251 N HN 0.652 nan 8.380 nan 0.000 0.472 252 H N -2.009 117.084 119.070 0.039 0.000 3.415 252 H HA -0.154 4.402 4.556 -0.000 0.000 0.213 252 H C -0.569 174.780 175.328 0.036 0.000 1.091 252 H CA 1.093 57.160 56.048 0.032 0.000 1.182 252 H CB -2.016 27.751 29.762 0.008 0.000 1.160 252 H HN 0.485 nan 8.280 nan 0.000 0.319 253 E N 1.653 121.918 120.200 0.109 0.000 2.398 253 E HA 0.281 4.631 4.350 -0.000 0.000 0.263 253 E C 0.433 177.078 176.600 0.076 0.000 1.046 253 E CA 0.127 56.572 56.400 0.074 0.000 0.908 253 E CB 0.573 30.374 29.700 0.168 0.000 0.963 253 E HN 0.206 nan 8.360 nan 0.000 0.431 254 M N 2.535 122.052 119.600 -0.137 0.000 2.321 254 M HA 0.380 4.860 4.480 -0.000 0.000 0.315 254 M C -1.328 174.754 176.300 -0.363 0.000 1.052 254 M CA -0.705 54.546 55.300 -0.083 0.000 0.936 254 M CB 1.091 33.662 32.600 -0.049 0.000 1.639 254 M HN 0.429 nan 8.290 nan 0.000 0.433 255 Y N 0.255 120.558 120.300 0.005 0.000 2.446 255 Y HA 0.553 5.103 4.550 -0.000 0.000 0.345 255 Y C -0.307 175.587 175.900 -0.010 0.000 0.984 255 Y CA -0.745 57.353 58.100 -0.003 0.000 1.058 255 Y CB 2.020 40.476 38.460 -0.006 0.000 1.220 255 Y HN 0.639 nan 8.280 nan 0.000 0.455 256 E N 1.583 121.843 120.200 0.100 0.000 2.256 256 E HA 0.859 5.209 4.350 -0.000 0.000 0.268 256 E C -1.613 175.014 176.600 0.045 0.000 0.877 256 E CA -0.722 55.705 56.400 0.044 0.000 0.757 256 E CB 1.565 31.269 29.700 0.005 0.000 1.183 256 E HN 0.778 nan 8.360 nan 0.000 0.418 257 A N 3.347 126.179 122.820 0.019 0.000 2.609 257 A HA 0.366 4.686 4.320 -0.000 0.000 0.291 257 A C -0.264 177.284 177.584 -0.059 0.000 1.096 257 A CA -0.652 51.390 52.037 0.008 0.000 0.684 257 A CB 1.467 20.495 19.000 0.046 0.000 1.282 257 A HN 0.665 nan 8.150 nan 0.000 0.412 258 K N -0.824 119.516 120.400 -0.100 0.000 2.228 258 K HA 0.142 4.462 4.320 -0.000 0.000 0.202 258 K C -0.779 175.501 176.600 -0.534 0.000 1.051 258 K CA 1.436 57.527 56.287 -0.327 0.000 0.960 258 K CB -0.034 32.262 32.500 -0.341 0.000 0.743 258 K HN 0.585 nan 8.250 nan 0.000 0.458 259 Y N -1.420 118.894 120.300 0.023 0.000 2.609 259 Y HA 0.370 4.920 4.550 -0.000 0.000 0.336 259 Y C -0.791 175.126 175.900 0.028 0.000 1.129 259 Y CA -1.348 56.778 58.100 0.043 0.000 1.040 259 Y CB 1.811 40.280 38.460 0.015 0.000 1.310 259 Y HN -0.435 nan 8.280 nan 0.000 0.460 260 V N 3.220 123.268 119.914 0.224 0.000 2.735 260 V HA 0.508 4.628 4.120 -0.000 0.000 0.310 260 V C -0.693 175.443 176.094 0.070 0.000 1.061 260 V CA -0.821 61.539 62.300 0.101 0.000 0.913 260 V CB 2.198 34.053 31.823 0.054 0.000 1.005 260 V HN 0.548 nan 8.190 nan 0.000 0.428 261 I N 2.615 123.197 120.570 0.020 0.000 2.362 261 I HA 0.346 4.516 4.170 -0.000 0.000 0.289 261 I C 0.188 176.293 176.117 -0.019 0.000 0.994 261 I CA -0.164 61.129 61.300 -0.012 0.000 1.158 261 I CB 1.987 39.987 38.000 -0.001 0.000 1.315 261 I HN 0.592 nan 8.210 nan 0.000 0.451 262 S N 5.207 120.867 115.700 -0.067 0.000 2.416 262 S HA 0.555 5.025 4.470 -0.000 0.000 0.287 262 S C 0.363 175.046 174.600 0.139 0.000 1.139 262 S CA -0.404 57.830 58.200 0.057 0.000 1.058 262 S CB 0.549 63.831 63.200 0.136 0.000 0.967 262 S HN 0.703 nan 8.310 nan 0.000 0.495 263 A N 5.841 128.733 122.820 0.120 0.000 2.855 263 A HA 0.464 4.784 4.320 -0.000 0.000 0.301 263 A C 0.195 177.858 177.584 0.133 0.000 1.076 263 A CA -0.657 51.454 52.037 0.124 0.000 1.004 263 A CB -0.430 18.616 19.000 0.078 0.000 1.152 263 A HN 0.892 nan 8.150 nan 0.000 0.531 264 I N -3.674 116.994 120.570 0.163 0.000 2.797 264 I HA 0.703 4.873 4.170 -0.000 0.000 0.307 264 I C -2.987 173.227 176.117 0.161 0.000 1.033 264 I CA -3.073 58.320 61.300 0.155 0.000 1.071 264 I CB 1.786 39.879 38.000 0.156 0.000 1.255 264 I HN -0.152 nan 8.210 nan 0.000 0.445 265 P HA 0.160 nan 4.420 nan 0.000 0.266 265 P C -2.178 175.175 177.300 0.088 0.000 1.195 265 P CA -0.724 62.445 63.100 0.115 0.000 0.768 265 P CB 0.001 31.754 31.700 0.089 0.000 0.838 266 P HA -0.244 nan 4.420 nan 0.000 0.217 266 P C 1.626 178.907 177.300 -0.031 0.000 1.158 266 P CA 1.986 65.087 63.100 0.001 0.000 0.887 266 P CB -0.320 31.348 31.700 -0.053 0.000 0.792 267 T N -1.431 113.080 114.554 -0.073 0.000 2.881 267 T HA -0.073 4.277 4.350 -0.000 0.000 0.270 267 T C 1.540 176.227 174.700 -0.021 0.000 1.068 267 T CA 0.723 62.769 62.100 -0.090 0.000 1.131 267 T CB -0.795 67.985 68.868 -0.146 0.000 0.871 267 T HN -0.036 nan 8.240 nan 0.000 0.479 268 L N 0.333 121.573 121.223 0.029 0.000 2.465 268 L HA 0.109 4.449 4.340 -0.000 0.000 0.224 268 L C 2.827 179.767 176.870 0.116 0.000 1.145 268 L CA 0.767 55.650 54.840 0.072 0.000 0.834 268 L CB -0.801 41.325 42.059 0.113 0.000 0.944 268 L HN 0.357 nan 8.230 nan 0.000 0.451 269 G N 0.311 109.194 108.800 0.137 0.000 2.499 269 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.221 269 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.221 269 G C 1.586 176.627 174.900 0.235 0.000 1.109 269 G CA 0.524 45.764 45.100 0.235 0.000 0.749 269 G HN 0.312 nan 8.290 nan 0.000 0.568 270 M N 0.064 119.725 119.600 0.103 0.000 2.296 270 M HA 0.020 4.500 4.480 -0.000 0.000 0.265 270 M C 2.222 178.534 176.300 0.020 0.000 1.064 270 M CA 1.005 56.335 55.300 0.050 0.000 1.109 270 M CB -0.251 32.339 32.600 -0.017 0.000 1.396 270 M HN 0.116 nan 8.290 nan 0.000 0.430 271 K N 0.779 121.209 120.400 0.050 0.000 2.442 271 K HA 0.062 4.381 4.320 -0.000 0.000 0.198 271 K C 0.471 177.110 176.600 0.066 0.000 1.044 271 K CA 0.656 56.979 56.287 0.060 0.000 0.948 271 K CB -0.169 32.399 32.500 0.112 0.000 0.762 271 K HN 0.376 nan 8.250 nan 0.000 0.472 272 I N 1.375 121.954 120.570 0.015 0.000 2.377 272 I HA 0.109 4.279 4.170 -0.000 0.000 0.293 272 I C 0.206 176.167 176.117 -0.258 0.000 0.987 272 I CA -0.692 60.524 61.300 -0.139 0.000 1.185 272 I CB 1.220 38.989 38.000 -0.385 0.000 1.341 272 I HN 0.046 nan 8.210 nan 0.000 0.455 273 H N 5.990 124.960 119.070 -0.165 0.000 2.527 273 H HA 0.372 4.928 4.556 -0.000 0.000 0.321 273 H C -1.119 174.147 175.328 -0.103 0.000 1.087 273 H CA -0.204 55.852 56.048 0.014 0.000 1.337 273 H CB 1.316 31.151 29.762 0.121 0.000 1.440 273 H HN 0.319 nan 8.280 nan 0.000 0.490 274 F N 1.647 121.736 119.950 0.232 0.000 2.508 274 F HA 0.185 4.712 4.527 -0.000 0.000 0.325 274 F C 0.469 176.366 175.800 0.161 0.000 1.090 274 F CA -0.781 57.298 58.000 0.132 0.000 0.945 274 F CB 1.565 40.609 39.000 0.074 0.000 1.156 274 F HN 0.473 nan 8.300 nan 0.000 0.463 275 N N 3.910 122.770 118.700 0.266 0.000 2.480 275 N HA 0.433 5.173 4.740 -0.000 0.000 0.289 275 N C -3.092 172.503 175.510 0.143 0.000 1.073 275 N CA -2.216 50.970 53.050 0.227 0.000 0.885 275 N CB 2.294 40.967 38.487 0.309 0.000 1.421 275 N HN 0.074 nan 8.380 nan 0.000 0.503 276 P HA 0.344 nan 4.420 nan 0.000 0.275 276 P C -2.617 174.775 177.300 0.152 0.000 1.266 276 P CA -1.018 62.158 63.100 0.127 0.000 0.793 276 P CB -0.347 31.402 31.700 0.081 0.000 1.074 277 P HA 0.030 nan 4.420 nan 0.000 0.269 277 P C 0.098 177.420 177.300 0.037 0.000 1.211 277 P CA 0.362 63.529 63.100 0.111 0.000 0.781 277 P CB 0.141 31.884 31.700 0.072 0.000 0.877 278 L N 3.108 124.298 121.223 -0.055 0.000 2.483 278 L HA 0.128 4.468 4.340 -0.000 0.000 0.275 278 L C -1.614 175.204 176.870 -0.088 0.000 1.220 278 L CA -1.523 53.213 54.840 -0.172 0.000 0.833 278 L CB -0.673 41.193 42.059 -0.323 0.000 1.102 278 L HN 0.338 nan 8.230 nan 0.000 0.490 279 P HA -0.070 nan 4.420 nan 0.000 0.268 279 P C 0.618 177.886 177.300 -0.053 0.000 1.208 279 P CA -0.213 62.855 63.100 -0.052 0.000 0.777 279 P CB 0.430 32.100 31.700 -0.050 0.000 0.875 280 M N 1.638 121.220 119.600 -0.030 0.000 2.106 280 M HA -0.207 4.273 4.480 -0.000 0.000 0.259 280 M C 1.153 177.457 176.300 0.008 0.000 1.068 280 M CA 2.281 57.573 55.300 -0.013 0.000 1.100 280 M CB -0.381 32.216 32.600 -0.005 0.000 1.351 280 M HN 0.167 nan 8.290 nan 0.000 0.404 281 M N -0.248 119.355 119.600 0.005 0.000 2.132 281 M HA -0.120 4.360 4.480 -0.000 0.000 0.263 281 M C 2.316 178.657 176.300 0.068 0.000 1.065 281 M CA 1.680 57.025 55.300 0.074 0.000 1.122 281 M CB -1.379 31.215 32.600 -0.011 0.000 1.365 281 M HN 0.426 nan 8.290 nan 0.000 0.411 282 R N 0.597 121.067 120.500 -0.050 0.000 2.073 282 R HA -0.198 4.142 4.340 -0.000 0.000 0.234 282 R C 2.021 178.231 176.300 -0.150 0.000 1.134 282 R CA 2.020 58.038 56.100 -0.137 0.000 0.952 282 R CB -0.299 29.874 30.300 -0.211 0.000 0.850 282 R HN 0.330 nan 8.270 nan 0.000 0.433 283 N N 0.228 118.854 118.700 -0.124 0.000 2.091 283 N HA -0.230 4.510 4.740 -0.000 0.000 0.193 283 N C 1.593 177.032 175.510 -0.118 0.000 1.021 283 N CA 1.921 54.904 53.050 -0.112 0.000 0.862 283 N CB 0.036 38.482 38.487 -0.067 0.000 1.018 283 N HN 0.376 nan 8.380 nan 0.000 0.429 284 Q N -1.118 118.617 119.800 -0.108 0.000 2.204 284 Q HA -0.022 4.318 4.340 -0.000 0.000 0.198 284 Q C 1.975 177.719 176.000 -0.427 0.000 0.946 284 Q CA 0.504 56.193 55.803 -0.190 0.000 0.859 284 Q CB -0.109 28.590 28.738 -0.064 0.000 0.946 284 Q HN 0.484 nan 8.270 nan 0.000 0.474 285 M N 1.583 120.922 119.600 -0.434 0.000 2.106 285 M HA -0.183 4.297 4.480 -0.000 0.000 0.259 285 M C 1.973 178.032 176.300 -0.403 0.000 1.068 285 M CA 1.691 56.675 55.300 -0.527 0.000 1.100 285 M CB -0.391 32.073 32.600 -0.227 0.000 1.351 285 M HN 0.297 nan 8.290 nan 0.000 0.404 286 I N -2.150 118.248 120.570 -0.287 0.000 3.564 286 I HA -0.023 4.147 4.170 -0.000 0.000 0.294 286 I C 1.580 177.567 176.117 -0.216 0.000 1.289 286 I CA 1.185 62.350 61.300 -0.225 0.000 1.325 286 I CB -0.795 37.113 38.000 -0.152 0.000 1.039 286 I HN 0.257 nan 8.210 nan 0.000 0.474 287 T N -2.435 111.971 114.554 -0.246 0.000 3.086 287 T HA 0.250 4.600 4.350 -0.000 0.000 0.250 287 T C 1.583 176.112 174.700 -0.286 0.000 1.074 287 T CA -0.062 61.903 62.100 -0.225 0.000 0.988 287 T CB -0.116 68.642 68.868 -0.183 0.000 0.988 287 T HN 0.389 nan 8.240 nan 0.000 0.530 288 R N 0.942 121.213 120.500 -0.381 0.000 2.432 288 R HA 0.313 4.653 4.340 -0.000 0.000 0.260 288 R C -0.121 175.864 176.300 -0.525 0.000 0.935 288 R CA 0.010 55.855 56.100 -0.425 0.000 1.080 288 R CB 1.122 31.108 30.300 -0.523 0.000 1.155 288 R HN 0.441 nan 8.270 nan 0.000 0.531 289 V N -0.717 118.868 119.914 -0.548 0.000 2.383 289 V HA 0.463 4.583 4.120 -0.000 0.000 0.261 289 V C -2.626 173.099 176.094 -0.615 0.000 0.987 289 V CA -2.245 59.611 62.300 -0.741 0.000 0.853 289 V CB 0.775 32.127 31.823 -0.786 0.000 1.095 289 V HN -0.102 nan 8.190 nan 0.000 0.461 290 P HA 0.558 nan 4.420 nan 0.000 0.279 290 P C -0.742 176.255 177.300 -0.504 0.000 1.276 290 P CA -0.419 62.365 63.100 -0.525 0.000 0.801 290 P CB 1.828 33.228 31.700 -0.500 0.000 1.127 291 L N -0.453 120.649 121.223 -0.202 0.000 2.332 291 L HA 0.605 4.945 4.340 -0.000 0.000 0.269 291 L C 1.421 178.362 176.870 0.118 0.000 1.016 291 L CA -0.341 54.478 54.840 -0.036 0.000 0.809 291 L CB 0.450 42.513 42.059 0.005 0.000 1.280 291 L HN 0.470 nan 8.230 nan 0.000 0.447 292 G N -0.338 108.546 108.800 0.139 0.000 2.653 292 G HA2 0.426 4.385 3.960 -0.000 0.000 0.265 292 G HA3 0.426 4.385 3.960 -0.000 0.000 0.265 292 G C -0.779 174.114 174.900 -0.012 0.000 1.237 292 G CA -0.355 44.770 45.100 0.041 0.000 0.946 292 G HN 0.495 nan 8.290 nan 0.000 0.522 293 S N -1.379 114.287 115.700 -0.057 0.000 2.519 293 S HA 0.598 5.068 4.470 -0.000 0.000 0.309 293 S C -0.961 173.618 174.600 -0.036 0.000 1.100 293 S CA -0.536 57.660 58.200 -0.008 0.000 1.059 293 S CB 1.705 64.912 63.200 0.012 0.000 1.008 293 S HN 0.820 nan 8.310 nan 0.000 0.478 294 V N 4.652 124.597 119.914 0.052 0.000 3.000 294 V HA 0.569 4.689 4.120 -0.000 0.000 0.300 294 V C -1.948 174.301 176.094 0.259 0.000 1.251 294 V CA -0.762 61.603 62.300 0.108 0.000 0.972 294 V CB 1.769 33.592 31.823 -0.001 0.000 1.065 294 V HN 0.882 nan 8.190 nan 0.000 0.431 295 I N 5.178 125.905 120.570 0.262 0.000 2.378 295 I HA 0.526 4.696 4.170 -0.000 0.000 0.291 295 I C -0.227 176.114 176.117 0.374 0.000 0.992 295 I CA -0.594 60.879 61.300 0.287 0.000 1.154 295 I CB 1.728 39.837 38.000 0.183 0.000 1.315 295 I HN 0.521 nan 8.210 nan 0.000 0.448 296 K N 5.928 126.581 120.400 0.422 0.000 2.234 296 K HA 0.562 4.882 4.320 -0.000 0.000 0.277 296 K C -1.433 175.275 176.600 0.180 0.000 1.038 296 K CA -0.327 56.183 56.287 0.371 0.000 0.888 296 K CB 0.826 33.614 32.500 0.480 0.000 1.091 296 K HN 0.702 nan 8.250 nan 0.000 0.467 297 C N 5.466 124.837 119.300 0.119 0.000 2.408 297 C HA 0.559 5.019 4.460 -0.000 0.000 0.321 297 C C -0.759 174.273 174.990 0.069 0.000 1.245 297 C CA -1.134 57.947 59.018 0.106 0.000 1.523 297 C CB -0.128 27.790 27.740 0.296 0.000 2.178 297 C HN 0.709 nan 8.230 nan 0.000 0.488 298 I N 3.250 123.813 120.570 -0.012 0.000 2.382 298 I HA 0.394 4.564 4.170 -0.000 0.000 0.286 298 I C -0.144 175.979 176.117 0.010 0.000 1.002 298 I CA -0.077 61.178 61.300 -0.074 0.000 1.135 298 I CB 1.353 39.261 38.000 -0.154 0.000 1.288 298 I HN 0.377 nan 8.210 nan 0.000 0.448 299 V N 6.911 126.828 119.914 0.005 0.000 2.394 299 V HA 0.353 4.473 4.120 -0.000 0.000 0.282 299 V C -0.540 175.354 176.094 -0.332 0.000 1.031 299 V CA -0.714 61.596 62.300 0.018 0.000 0.881 299 V CB 0.703 32.585 31.823 0.097 0.000 0.982 299 V HN 0.399 nan 8.190 nan 0.000 0.451 300 Y N 4.340 124.584 120.300 -0.094 0.000 2.310 300 Y HA 0.632 5.182 4.550 -0.000 0.000 0.326 300 Y C -0.192 175.567 175.900 -0.235 0.000 1.151 300 Y CA -0.214 57.869 58.100 -0.028 0.000 1.195 300 Y CB 1.082 39.635 38.460 0.155 0.000 1.210 300 Y HN 0.533 nan 8.280 nan 0.000 0.483 301 Y N -0.091 120.453 120.300 0.406 0.000 2.609 301 Y HA 0.275 4.825 4.550 -0.000 0.000 0.342 301 Y C 1.080 177.121 175.900 0.235 0.000 1.058 301 Y CA -1.424 56.886 58.100 0.350 0.000 1.055 301 Y CB 1.871 40.630 38.460 0.499 0.000 1.292 301 Y HN 0.484 nan 8.280 nan 0.000 0.476 302 K N 0.365 120.982 120.400 0.361 0.000 2.097 302 K HA -0.012 4.308 4.320 -0.000 0.000 0.205 302 K C -0.551 176.114 176.600 0.107 0.000 1.050 302 K CA 1.523 57.914 56.287 0.174 0.000 0.938 302 K CB 0.248 32.824 32.500 0.128 0.000 0.718 302 K HN 0.742 nan 8.250 nan 0.000 0.442 303 E N -0.445 119.830 120.200 0.124 0.000 2.429 303 E HA 0.216 4.566 4.350 -0.000 0.000 0.276 303 E C -2.673 173.769 176.600 -0.264 0.000 0.953 303 E CA -2.355 54.020 56.400 -0.042 0.000 0.787 303 E CB 2.089 31.755 29.700 -0.058 0.000 1.307 303 E HN -0.042 nan 8.360 nan 0.000 0.458 304 P HA 0.044 nan 4.420 nan 0.000 0.230 304 P C 0.282 176.664 177.300 -1.529 0.000 1.791 304 P CA -0.000 62.144 63.100 -1.593 0.000 1.020 304 P CB -0.964 30.122 31.700 -1.023 0.000 1.977 305 F N -0.003 119.384 119.950 -0.937 0.000 2.269 305 F HA -0.117 4.410 4.527 -0.000 0.000 0.301 305 F C 1.829 177.467 175.800 -0.271 0.000 1.082 305 F CA -0.007 57.739 58.000 -0.423 0.000 1.360 305 F CB -1.733 37.142 39.000 -0.209 0.000 1.041 305 F HN 0.118 nan 8.300 nan 0.000 0.512 306 W N 1.462 122.415 121.300 -0.579 0.000 2.350 306 W HA -0.024 4.636 4.660 0.000 0.000 0.289 306 W C 1.998 178.473 176.519 -0.073 0.000 1.215 306 W CA 0.977 58.201 57.345 -0.202 0.000 1.236 306 W CB -1.145 28.124 29.460 -0.319 0.000 1.130 306 W HN -0.127 nan 8.180 nan 0.000 0.541 307 R N 1.264 121.573 120.500 -0.318 0.000 2.152 307 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 307 R C 1.984 178.210 176.300 -0.125 0.000 1.117 307 R CA 1.725 57.727 56.100 -0.164 0.000 0.981 307 R CB -0.437 29.704 30.300 -0.265 0.000 0.870 307 R HN 0.350 nan 8.270 nan 0.000 0.451 308 K N 0.649 120.972 120.400 -0.128 0.000 2.217 308 K HA -0.078 4.242 4.320 -0.000 0.000 0.202 308 K C 1.291 177.826 176.600 -0.107 0.000 1.051 308 K CA 0.904 57.136 56.287 -0.092 0.000 0.952 308 K CB 0.092 32.560 32.500 -0.054 0.000 0.736 308 K HN 0.116 nan 8.250 nan 0.000 0.453 309 K N 1.070 121.378 120.400 -0.155 0.000 2.446 309 K HA -0.015 4.305 4.320 -0.000 0.000 0.203 309 K C -0.587 175.697 176.600 -0.527 0.000 1.027 309 K CA 0.032 56.118 56.287 -0.335 0.000 1.166 309 K CB 0.291 32.531 32.500 -0.432 0.000 0.869 309 K HN 0.008 nan 8.250 nan 0.000 0.504 310 D N 0.464 120.699 120.400 -0.275 0.000 2.723 310 D HA -0.217 4.423 4.640 -0.000 0.000 0.236 310 D C -1.363 174.860 176.300 -0.130 0.000 1.138 310 D CA 0.921 54.816 54.000 -0.175 0.000 0.676 310 D CB -1.378 39.337 40.800 -0.142 0.000 1.069 310 D HN 0.339 nan 8.370 nan 0.000 0.430 311 Y N -0.994 119.347 120.300 0.068 0.000 2.409 311 Y HA 0.335 4.885 4.550 -0.000 0.000 0.339 311 Y C 2.012 177.986 175.900 0.123 0.000 1.033 311 Y CA -0.922 57.218 58.100 0.067 0.000 1.094 311 Y CB 1.293 39.801 38.460 0.081 0.000 1.210 311 Y HN 0.256 nan 8.280 nan 0.000 0.456 312 C N -1.270 118.149 119.300 0.198 0.000 2.563 312 C HA 0.515 4.975 4.460 -0.000 0.000 0.268 312 C C 1.672 176.720 174.990 0.097 0.000 1.365 312 C CA 0.434 59.543 59.018 0.152 0.000 1.754 312 C CB -0.801 26.956 27.740 0.028 0.000 1.932 312 C HN 1.224 nan 8.230 nan 0.000 0.536 313 G N -0.033 108.670 108.800 -0.160 0.000 2.211 313 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.201 313 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.201 313 G C 0.006 174.579 174.900 -0.545 0.000 0.997 313 G CA 0.183 44.880 45.100 -0.671 0.000 0.652 313 G HN 0.551 nan 8.290 nan 0.000 0.500 314 T N 2.389 116.726 114.554 -0.362 0.000 2.761 314 T HA 0.653 5.003 4.350 -0.000 0.000 0.296 314 T C 0.288 174.801 174.700 -0.311 0.000 0.934 314 T CA 0.475 62.344 62.100 -0.384 0.000 1.091 314 T CB 0.921 69.623 68.868 -0.278 0.000 0.896 314 T HN 0.288 nan 8.240 nan 0.000 0.515 315 M N 4.008 123.406 119.600 -0.337 0.000 2.326 315 M HA 0.509 4.989 4.480 -0.000 0.000 0.306 315 M C -0.885 175.426 176.300 0.019 0.000 1.054 315 M CA -0.608 54.612 55.300 -0.133 0.000 0.922 315 M CB 2.276 34.773 32.600 -0.171 0.000 1.632 315 M HN 0.398 nan 8.290 nan 0.000 0.436 316 I N 4.688 125.415 120.570 0.261 0.000 2.354 316 I HA 0.469 4.639 4.170 -0.000 0.000 0.286 316 I C -0.920 175.462 176.117 0.442 0.000 1.007 316 I CA -0.400 61.147 61.300 0.411 0.000 1.167 316 I CB 1.062 39.302 38.000 0.400 0.000 1.320 316 I HN 0.620 nan 8.210 nan 0.000 0.458 317 I N 5.258 126.048 120.570 0.367 0.000 2.411 317 I HA 0.290 4.460 4.170 -0.000 0.000 0.284 317 I C -0.361 175.936 176.117 0.301 0.000 1.012 317 I CA -0.540 60.958 61.300 0.329 0.000 1.119 317 I CB 1.418 39.553 38.000 0.224 0.000 1.261 317 I HN 0.456 nan 8.210 nan 0.000 0.448 318 D N 4.667 125.251 120.400 0.307 0.000 2.313 318 D HA 0.584 5.224 4.640 -0.000 0.000 0.247 318 D C 0.304 176.718 176.300 0.189 0.000 1.094 318 D CA 0.773 54.917 54.000 0.240 0.000 0.925 318 D CB 1.987 42.916 40.800 0.216 0.000 1.188 318 D HN 0.826 nan 8.370 nan 0.000 0.430 319 G N 1.790 110.682 108.800 0.153 0.000 2.576 319 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.686 319 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.686 319 G C 0.485 175.458 174.900 0.121 0.000 1.242 319 G CA -0.110 45.065 45.100 0.125 0.000 0.819 319 G HN 0.424 nan 8.290 nan 0.000 0.655 320 E N 0.099 120.365 120.200 0.109 0.000 2.152 320 E HA -0.006 4.344 4.350 -0.000 0.000 0.192 320 E C 2.145 178.804 176.600 0.099 0.000 0.983 320 E CA 2.366 58.839 56.400 0.122 0.000 0.818 320 E CB -0.008 29.760 29.700 0.113 0.000 0.758 320 E HN 0.673 nan 8.360 nan 0.000 0.467 321 E N 0.380 120.630 120.200 0.084 0.000 2.152 321 E HA 0.076 4.426 4.350 -0.000 0.000 0.192 321 E C 0.470 177.102 176.600 0.054 0.000 0.983 321 E CA 0.841 57.280 56.400 0.064 0.000 0.818 321 E CB -0.253 29.484 29.700 0.061 0.000 0.758 321 E HN 0.265 nan 8.360 nan 0.000 0.467 322 A N 2.380 125.242 122.820 0.070 0.000 2.491 322 A HA 0.149 4.469 4.320 -0.000 0.000 0.261 322 A C -1.546 176.062 177.584 0.040 0.000 1.101 322 A CA -1.172 50.898 52.037 0.056 0.000 0.772 322 A CB 0.112 19.169 19.000 0.096 0.000 1.043 322 A HN -0.040 nan 8.150 nan 0.000 0.501 323 P HA -0.079 nan 4.420 nan 0.000 0.215 323 P C 0.252 177.578 177.300 0.044 0.000 1.153 323 P CA 1.023 64.125 63.100 0.003 0.000 0.853 323 P CB 0.051 31.733 31.700 -0.030 0.000 0.788 324 V N -0.444 119.513 119.914 0.072 0.000 2.417 324 V HA 0.482 4.602 4.120 -0.000 0.000 0.291 324 V C 0.998 177.205 176.094 0.188 0.000 1.024 324 V CA -0.104 62.286 62.300 0.150 0.000 0.861 324 V CB 1.293 33.227 31.823 0.185 0.000 0.985 324 V HN -0.016 nan 8.190 nan 0.000 0.436 325 A N 4.609 127.572 122.820 0.238 0.000 2.303 325 A HA 0.366 4.686 4.320 -0.000 0.000 0.217 325 A C 0.044 177.853 177.584 0.374 0.000 1.205 325 A CA 0.403 52.602 52.037 0.269 0.000 0.875 325 A CB 0.181 19.323 19.000 0.236 0.000 0.910 325 A HN 0.761 nan 8.150 nan 0.000 0.501 326 Y N -0.169 120.254 120.300 0.205 0.000 2.482 326 Y HA 0.472 5.022 4.550 -0.000 0.000 0.334 326 Y C -0.505 175.458 175.900 0.105 0.000 1.091 326 Y CA -0.357 57.853 58.100 0.182 0.000 1.027 326 Y CB 1.499 40.113 38.460 0.257 0.000 1.306 326 Y HN 0.144 nan 8.280 nan 0.000 0.446 327 T N 3.864 118.054 114.554 -0.606 0.000 2.883 327 T HA 0.849 5.199 4.350 -0.000 0.000 0.301 327 T C -1.689 172.553 174.700 -0.762 0.000 1.158 327 T CA -0.854 60.913 62.100 -0.554 0.000 1.007 327 T CB 1.847 70.409 68.868 -0.510 0.000 1.186 327 T HN 0.632 nan 8.240 nan 0.000 0.499 328 L N 1.024 121.930 121.223 -0.528 0.000 2.409 328 L HA 0.498 4.838 4.340 -0.000 0.000 0.262 328 L C -0.694 175.976 176.870 -0.333 0.000 0.992 328 L CA -1.222 53.379 54.840 -0.399 0.000 0.817 328 L CB 2.238 44.138 42.059 -0.264 0.000 1.350 328 L HN 0.763 nan 8.230 nan 0.000 0.411 329 D N 1.093 121.338 120.400 -0.260 0.000 2.434 329 D HA -0.052 4.588 4.640 -0.000 0.000 0.252 329 D C -0.197 176.116 176.300 0.021 0.000 1.185 329 D CA 0.563 54.491 54.000 -0.120 0.000 0.886 329 D CB 1.080 41.926 40.800 0.077 0.000 1.148 329 D HN 0.463 nan 8.370 nan 0.000 0.483 330 D N 2.052 122.465 120.400 0.022 0.000 2.463 330 D HA 0.065 4.705 4.640 -0.000 0.000 0.224 330 D C -0.350 176.031 176.300 0.136 0.000 1.174 330 D CA -0.135 53.910 54.000 0.074 0.000 0.829 330 D CB 0.301 41.082 40.800 -0.030 0.000 0.993 330 D HN 0.220 nan 8.370 nan 0.000 0.497 331 T N 1.836 116.510 114.554 0.200 0.000 2.928 331 T HA 0.027 4.377 4.350 -0.000 0.000 0.305 331 T C 0.550 175.320 174.700 0.115 0.000 1.035 331 T CA -0.251 61.960 62.100 0.185 0.000 1.145 331 T CB 0.772 69.751 68.868 0.185 0.000 0.963 331 T HN -0.068 nan 8.240 nan 0.000 0.545 332 K N 4.274 124.707 120.400 0.055 0.000 2.494 332 K HA 0.028 4.348 4.320 -0.000 0.000 0.273 332 K C -1.574 174.913 176.600 -0.188 0.000 0.970 332 K CA -1.747 54.470 56.287 -0.116 0.000 0.963 332 K CB -0.070 32.407 32.500 -0.038 0.000 0.913 332 K HN 0.289 nan 8.250 nan 0.000 0.502 333 P HA -0.124 nan 4.420 nan 0.000 0.219 333 P C 0.468 177.701 177.300 -0.111 0.000 1.146 333 P CA 1.239 64.154 63.100 -0.307 0.000 0.808 333 P CB 0.276 31.731 31.700 -0.407 0.000 0.779 334 E N -1.245 118.906 120.200 -0.083 0.000 2.409 334 E HA 0.072 4.422 4.350 -0.000 0.000 0.198 334 E C 1.617 178.207 176.600 -0.018 0.000 1.024 334 E CA 1.111 57.497 56.400 -0.024 0.000 0.861 334 E CB -0.896 28.812 29.700 0.013 0.000 0.788 334 E HN 0.274 nan 8.360 nan 0.000 0.521 335 G N 0.476 109.265 108.800 -0.017 0.000 2.175 335 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.244 335 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.244 335 G C 0.135 175.022 174.900 -0.022 0.000 0.982 335 G CA 0.287 45.373 45.100 -0.023 0.000 0.641 335 G HN 0.383 nan 8.290 nan 0.000 0.527 336 N N -0.696 118.009 118.700 0.008 0.000 2.530 336 N HA 0.532 5.272 4.740 -0.000 0.000 0.283 336 N C 0.465 176.042 175.510 0.112 0.000 1.238 336 N CA -0.923 52.104 53.050 -0.038 0.000 0.971 336 N CB -0.020 38.366 38.487 -0.168 0.000 1.195 336 N HN 0.603 nan 8.380 nan 0.000 0.583 337 Y N -2.607 117.720 120.300 0.045 0.000 3.037 337 Y HA -0.164 4.386 4.550 -0.000 0.000 0.204 337 Y C 0.544 176.574 175.900 0.217 0.000 1.275 337 Y CA 0.287 58.465 58.100 0.129 0.000 1.066 337 Y CB -2.327 36.172 38.460 0.065 0.000 1.305 337 Y HN 0.745 nan 8.280 nan 0.000 0.499 338 A N 0.482 123.453 122.820 0.251 0.000 2.567 338 A HA 0.580 4.900 4.320 -0.000 0.000 0.240 338 A C 0.706 178.532 177.584 0.402 0.000 1.053 338 A CA 0.565 52.766 52.037 0.274 0.000 0.755 338 A CB 0.113 19.195 19.000 0.136 0.000 0.978 338 A HN 1.491 nan 8.150 nan 0.000 0.507 339 A N 2.764 125.818 122.820 0.389 0.000 2.589 339 A HA 0.623 4.943 4.320 -0.000 0.000 0.296 339 A C -0.921 176.656 177.584 -0.011 0.000 1.062 339 A CA -0.520 51.541 52.037 0.040 0.000 0.686 339 A CB 0.992 19.720 19.000 -0.454 0.000 1.282 339 A HN 0.682 nan 8.150 nan 0.000 0.404 340 I N 2.847 123.297 120.570 -0.199 0.000 2.378 340 I HA 0.355 4.525 4.170 -0.000 0.000 0.291 340 I C -0.209 175.731 176.117 -0.295 0.000 0.992 340 I CA -0.386 60.651 61.300 -0.438 0.000 1.154 340 I CB 1.652 39.236 38.000 -0.693 0.000 1.315 340 I HN 0.723 nan 8.210 nan 0.000 0.448 341 M N 6.031 125.459 119.600 -0.287 0.000 2.157 341 M HA 0.573 5.053 4.480 -0.000 0.000 0.354 341 M C -0.326 175.806 176.300 -0.280 0.000 1.170 341 M CA -0.196 54.968 55.300 -0.227 0.000 1.060 341 M CB 0.908 33.406 32.600 -0.171 0.000 1.615 341 M HN 0.696 nan 8.290 nan 0.000 0.460 342 G N 4.391 113.090 108.800 -0.169 0.000 2.574 342 G HA2 0.727 4.687 3.960 -0.000 0.000 0.299 342 G HA3 0.727 4.687 3.960 -0.000 0.000 0.299 342 G C -1.933 172.905 174.900 -0.104 0.000 1.298 342 G CA -0.538 44.496 45.100 -0.109 0.000 0.952 342 G HN 0.641 nan 8.290 nan 0.000 0.477 343 F N 0.290 120.373 119.950 0.222 0.000 2.458 343 F HA 0.487 5.014 4.527 0.000 0.000 0.336 343 F C 0.437 176.338 175.800 0.169 0.000 1.114 343 F CA -0.702 57.430 58.000 0.220 0.000 0.987 343 F CB 2.326 41.483 39.000 0.261 0.000 1.130 343 F HN 0.050 nan 8.300 nan 0.000 0.458 344 I N 5.244 126.011 120.570 0.328 0.000 2.297 344 I HA 0.243 4.413 4.170 -0.000 0.000 0.291 344 I C -0.729 175.469 176.117 0.134 0.000 1.033 344 I CA -0.270 61.142 61.300 0.186 0.000 1.253 344 I CB 0.686 38.766 38.000 0.133 0.000 1.396 344 I HN 0.390 nan 8.210 nan 0.000 0.476 345 L N 6.860 128.126 121.223 0.072 0.000 2.295 345 L HA 0.664 5.004 4.340 -0.000 0.000 0.285 345 L C 0.960 177.791 176.870 -0.065 0.000 1.035 345 L CA -0.077 54.766 54.840 0.005 0.000 0.806 345 L CB 1.417 43.488 42.059 0.021 0.000 1.214 345 L HN 0.902 nan 8.230 nan 0.000 0.426 346 A N 2.379 125.153 122.820 -0.076 0.000 5.295 346 A HA -0.360 3.960 4.320 -0.000 0.000 0.313 346 A C 1.641 179.209 177.584 -0.027 0.000 1.912 346 A CA 1.406 53.407 52.037 -0.061 0.000 0.714 346 A CB -1.530 17.436 19.000 -0.056 0.000 1.319 346 A HN 1.060 nan 8.150 nan 0.000 0.375 347 H N 1.063 120.124 119.070 -0.015 0.000 2.489 347 H HA 0.010 4.566 4.556 -0.000 0.000 0.293 347 H C 1.625 176.970 175.328 0.027 0.000 1.066 347 H CA 1.741 57.797 56.048 0.013 0.000 1.305 347 H CB -0.377 29.402 29.762 0.029 0.000 1.386 347 H HN 0.731 nan 8.280 nan 0.000 0.551 348 K N 0.623 120.663 120.400 -0.600 0.000 2.211 348 K HA 0.039 4.359 4.320 -0.000 0.000 0.203 348 K C 2.429 178.965 176.600 -0.107 0.000 1.050 348 K CA 0.923 57.003 56.287 -0.345 0.000 0.945 348 K CB 0.101 32.429 32.500 -0.288 0.000 0.732 348 K HN 0.363 nan 8.250 nan 0.000 0.451 349 A N 1.115 123.899 122.820 -0.060 0.000 1.930 349 A HA -0.071 4.249 4.320 -0.000 0.000 0.215 349 A C 2.010 179.607 177.584 0.021 0.000 1.176 349 A CA 0.842 52.885 52.037 0.010 0.000 0.632 349 A CB -0.161 18.860 19.000 0.035 0.000 0.819 349 A HN 0.085 nan 8.150 nan 0.000 0.445 350 R N 0.036 120.549 120.500 0.022 0.000 2.073 350 R HA -0.104 4.236 4.340 -0.000 0.000 0.234 350 R C 2.276 178.598 176.300 0.036 0.000 1.134 350 R CA 1.909 58.032 56.100 0.038 0.000 0.952 350 R CB -0.317 30.020 30.300 0.060 0.000 0.850 350 R HN 0.588 nan 8.270 nan 0.000 0.433 351 K N 0.328 120.748 120.400 0.032 0.000 2.057 351 K HA -0.090 4.230 4.320 -0.000 0.000 0.207 351 K C 1.416 178.030 176.600 0.023 0.000 1.049 351 K CA 1.304 57.612 56.287 0.036 0.000 0.931 351 K CB 0.065 32.594 32.500 0.047 0.000 0.714 351 K HN 0.153 nan 8.250 nan 0.000 0.440 352 L N -0.338 120.893 121.223 0.014 0.000 2.585 352 L HA 0.186 4.526 4.340 -0.000 0.000 0.226 352 L C 2.050 178.935 176.870 0.027 0.000 1.113 352 L CA 0.100 54.950 54.840 0.017 0.000 0.876 352 L CB 0.228 42.294 42.059 0.012 0.000 1.072 352 L HN 0.147 nan 8.230 nan 0.000 0.468 353 A N 0.526 123.363 122.820 0.029 0.000 2.015 353 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 353 A C 2.297 179.895 177.584 0.023 0.000 1.163 353 A CA 1.040 53.095 52.037 0.030 0.000 0.646 353 A CB -0.334 18.683 19.000 0.028 0.000 0.806 353 A HN 0.321 nan 8.150 nan 0.000 0.448 354 R N -0.684 119.829 120.500 0.021 0.000 2.241 354 R HA 0.043 4.383 4.340 -0.000 0.000 0.224 354 R C 0.141 176.451 176.300 0.016 0.000 1.101 354 R CA 0.235 56.346 56.100 0.017 0.000 0.995 354 R CB -0.437 29.873 30.300 0.017 0.000 0.870 354 R HN 0.439 nan 8.270 nan 0.000 0.463 355 L N 0.608 121.841 121.223 0.018 0.000 2.456 355 L HA 0.107 4.447 4.340 -0.000 0.000 0.257 355 L C 1.064 177.946 176.870 0.020 0.000 1.162 355 L CA -0.440 54.410 54.840 0.015 0.000 0.808 355 L CB 0.790 42.856 42.059 0.012 0.000 1.136 355 L HN 0.135 nan 8.230 nan 0.000 0.466 356 T N -2.309 112.255 114.554 0.017 0.000 2.828 356 T HA 0.089 4.439 4.350 -0.000 0.000 0.290 356 T C 0.942 175.667 174.700 0.042 0.000 1.019 356 T CA -0.566 61.549 62.100 0.026 0.000 1.031 356 T CB 1.152 70.031 68.868 0.019 0.000 1.001 356 T HN 0.694 nan 8.240 nan 0.000 0.531 357 K N 0.460 120.900 120.400 0.068 0.000 2.074 357 K HA -0.224 4.096 4.320 -0.000 0.000 0.209 357 K C 1.900 178.553 176.600 0.088 0.000 1.048 357 K CA 2.022 58.390 56.287 0.136 0.000 0.926 357 K CB -0.198 32.388 32.500 0.143 0.000 0.713 357 K HN 0.696 nan 8.250 nan 0.000 0.444 358 E N 0.727 120.946 120.200 0.032 0.000 2.106 358 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 358 E C 1.788 178.346 176.600 -0.069 0.000 0.984 358 E CA 1.466 57.850 56.400 -0.026 0.000 0.806 358 E CB 0.002 29.697 29.700 -0.008 0.000 0.750 358 E HN 0.436 nan 8.360 nan 0.000 0.458 359 E N 0.319 120.496 120.200 -0.039 0.000 2.077 359 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 359 E C 2.163 178.718 176.600 -0.076 0.000 0.989 359 E CA 0.805 57.177 56.400 -0.047 0.000 0.800 359 E CB -0.090 29.598 29.700 -0.021 0.000 0.746 359 E HN 0.128 nan 8.360 nan 0.000 0.452 360 R N 0.375 120.838 120.500 -0.062 0.000 2.081 360 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 360 R C 2.499 178.653 176.300 -0.244 0.000 1.131 360 R CA 0.865 56.916 56.100 -0.081 0.000 0.960 360 R CB -0.392 29.930 30.300 0.037 0.000 0.856 360 R HN 0.125 nan 8.270 nan 0.000 0.436 361 L N 1.844 122.804 121.223 -0.440 0.000 2.012 361 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 361 L C 2.226 178.875 176.870 -0.369 0.000 1.073 361 L CA 1.928 56.339 54.840 -0.716 0.000 0.748 361 L CB -0.456 41.116 42.059 -0.812 0.000 0.891 361 L HN 0.026 nan 8.230 nan 0.000 0.431 362 K N -0.569 119.693 120.400 -0.230 0.000 2.057 362 K HA -0.187 4.133 4.320 -0.000 0.000 0.206 362 K C 2.101 178.615 176.600 -0.145 0.000 1.050 362 K CA 1.450 57.649 56.287 -0.146 0.000 0.935 362 K CB -0.091 32.353 32.500 -0.094 0.000 0.715 362 K HN 0.356 nan 8.250 nan 0.000 0.439 363 K N 0.307 120.617 120.400 -0.150 0.000 2.097 363 K HA -0.128 4.192 4.320 -0.000 0.000 0.206 363 K C 2.107 178.571 176.600 -0.227 0.000 1.049 363 K CA 0.989 57.190 56.287 -0.143 0.000 0.933 363 K CB -0.090 32.347 32.500 -0.105 0.000 0.717 363 K HN 0.075 nan 8.250 nan 0.000 0.442 364 L N 0.803 121.837 121.223 -0.315 0.000 2.056 364 L HA -0.183 4.157 4.340 -0.000 0.000 0.207 364 L C 2.430 178.882 176.870 -0.697 0.000 1.078 364 L CA 1.516 56.008 54.840 -0.580 0.000 0.749 364 L CB -0.564 41.197 42.059 -0.496 0.000 0.901 364 L HN 0.210 nan 8.230 nan 0.000 0.433 365 C N -0.866 118.250 119.300 -0.307 0.000 2.446 365 C HA -0.118 4.342 4.460 -0.000 0.000 0.277 365 C C 2.605 177.571 174.990 -0.039 0.000 1.275 365 C CA 0.373 59.358 59.018 -0.054 0.000 1.727 365 C CB -0.750 27.014 27.740 0.040 0.000 2.010 365 C HN 0.542 nan 8.230 nan 0.000 0.486 366 E N 0.566 120.712 120.200 -0.090 0.000 2.072 366 E HA -0.217 4.133 4.350 -0.000 0.000 0.191 366 E C 2.022 178.582 176.600 -0.067 0.000 0.985 366 E CA 0.971 57.338 56.400 -0.055 0.000 0.801 366 E CB -0.317 29.351 29.700 -0.054 0.000 0.750 366 E HN 0.500 nan 8.360 nan 0.000 0.452 367 L N 0.547 121.682 121.223 -0.148 0.000 1.989 367 L HA -0.238 4.102 4.340 -0.000 0.000 0.211 367 L C 2.073 178.925 176.870 -0.030 0.000 1.071 367 L CA 1.800 56.556 54.840 -0.141 0.000 0.749 367 L CB -0.600 41.331 42.059 -0.214 0.000 0.890 367 L HN 0.208 nan 8.230 nan 0.000 0.431 368 Y N -1.015 119.268 120.300 -0.029 0.000 2.293 368 Y HA -0.174 4.376 4.550 -0.000 0.000 0.291 368 Y C 2.491 178.394 175.900 0.005 0.000 1.137 368 Y CA 0.201 58.285 58.100 -0.027 0.000 1.202 368 Y CB -0.461 38.023 38.460 0.040 0.000 0.990 368 Y HN 0.382 nan 8.280 nan 0.000 0.537 369 A N 0.859 123.781 122.820 0.170 0.000 1.902 369 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 369 A C 2.078 179.699 177.584 0.063 0.000 1.181 369 A CA 1.761 53.860 52.037 0.104 0.000 0.623 369 A CB -0.431 18.601 19.000 0.054 0.000 0.818 369 A HN 0.383 nan 8.150 nan 0.000 0.443 370 K N -0.571 119.841 120.400 0.021 0.000 2.057 370 K HA -0.029 4.291 4.320 -0.000 0.000 0.206 370 K C 1.830 178.392 176.600 -0.064 0.000 1.050 370 K CA 1.396 57.678 56.287 -0.008 0.000 0.935 370 K CB -0.300 32.185 32.500 -0.025 0.000 0.715 370 K HN 0.296 nan 8.250 nan 0.000 0.439 371 V N 1.541 121.356 119.914 -0.165 0.000 2.453 371 V HA -0.149 3.971 4.120 -0.000 0.000 0.247 371 V C 2.005 178.014 176.094 -0.142 0.000 1.048 371 V CA 1.412 63.551 62.300 -0.268 0.000 1.049 371 V CB -0.301 31.327 31.823 -0.326 0.000 0.672 371 V HN 0.252 nan 8.190 nan 0.000 0.457 372 L N 0.421 121.613 121.223 -0.051 0.000 2.492 372 L HA 0.271 4.611 4.340 -0.000 0.000 0.223 372 L C 1.629 178.618 176.870 0.198 0.000 1.132 372 L CA 0.773 55.627 54.840 0.023 0.000 0.850 372 L CB -0.626 41.557 42.059 0.207 0.000 0.966 372 L HN 0.542 nan 8.230 nan 0.000 0.454 373 G N 0.943 109.821 108.800 0.130 0.000 2.338 373 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.296 373 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.296 373 G C 0.094 175.082 174.900 0.146 0.000 1.040 373 G CA 0.669 45.851 45.100 0.137 0.000 1.004 373 G HN 0.343 nan 8.290 nan 0.000 0.509 374 S N -1.034 114.739 115.700 0.122 0.000 2.619 374 S HA 0.553 5.023 4.470 -0.000 0.000 0.280 374 S C 1.320 175.874 174.600 -0.076 0.000 1.150 374 S CA -0.620 57.600 58.200 0.034 0.000 0.978 374 S CB 1.002 64.252 63.200 0.082 0.000 1.041 374 S HN 0.425 nan 8.310 nan 0.000 0.485 375 L N 3.816 124.978 121.223 -0.101 0.000 2.265 375 L HA -0.062 4.278 4.340 -0.000 0.000 0.215 375 L C 2.078 178.822 176.870 -0.209 0.000 1.117 375 L CA 1.187 55.961 54.840 -0.111 0.000 0.782 375 L CB -0.340 41.673 42.059 -0.077 0.000 0.914 375 L HN 0.746 nan 8.230 nan 0.000 0.441 376 E N 0.500 120.432 120.200 -0.447 0.000 2.338 376 E HA -0.126 4.224 4.350 -0.000 0.000 0.197 376 E C 2.162 178.370 176.600 -0.654 0.000 1.007 376 E CA 0.808 56.810 56.400 -0.664 0.000 0.849 376 E CB -0.074 28.930 29.700 -1.159 0.000 0.774 376 E HN 0.501 nan 8.360 nan 0.000 0.506 377 A N 1.045 123.574 122.820 -0.485 0.000 2.172 377 A HA -0.042 4.278 4.320 -0.000 0.000 0.216 377 A C 1.936 179.681 177.584 0.267 0.000 1.154 377 A CA 0.586 52.621 52.037 -0.003 0.000 0.701 377 A CB -0.281 18.868 19.000 0.248 0.000 0.789 377 A HN 0.158 nan 8.150 nan 0.000 0.465 378 L N -0.519 120.770 121.223 0.110 0.000 2.592 378 L HA 0.114 4.454 4.340 -0.000 0.000 0.227 378 L C 0.091 177.044 176.870 0.139 0.000 1.127 378 L CA 0.092 54.999 54.840 0.113 0.000 0.884 378 L CB 0.093 42.174 42.059 0.036 0.000 1.065 378 L HN 0.171 nan 8.230 nan 0.000 0.457 379 E N 1.570 121.898 120.200 0.213 0.000 3.170 379 E HA 0.276 4.626 4.350 -0.000 0.000 0.212 379 E C -2.293 174.498 176.600 0.319 0.000 1.143 379 E CA -1.774 54.748 56.400 0.203 0.000 1.139 379 E CB 0.425 30.201 29.700 0.128 0.000 1.346 379 E HN 0.115 nan 8.360 nan 0.000 0.432 380 P HA 0.053 nan 4.420 nan 0.000 0.278 380 P C 1.024 178.369 177.300 0.076 0.000 1.238 380 P CA -0.280 62.815 63.100 -0.009 0.000 0.794 380 P CB 1.639 33.276 31.700 -0.104 0.000 0.955 381 V N -1.676 118.298 119.914 0.101 0.000 3.650 381 V HA 0.329 4.449 4.120 -0.000 0.000 0.271 381 V C 0.306 176.537 176.094 0.229 0.000 1.281 381 V CA 0.690 63.081 62.300 0.153 0.000 1.120 381 V CB -1.443 30.471 31.823 0.152 0.000 0.856 381 V HN 0.723 nan 8.190 nan 0.000 0.443 382 H N -1.253 117.884 119.070 0.112 0.000 2.919 382 H HA 0.530 5.086 4.556 -0.000 0.000 0.270 382 H C -2.353 173.186 175.328 0.352 0.000 1.412 382 H CA -0.621 55.520 56.048 0.155 0.000 1.261 382 H CB 1.255 31.026 29.762 0.015 0.000 1.850 382 H HN 0.163 nan 8.280 nan 0.000 0.478 383 Y N 1.624 121.636 120.300 -0.481 0.000 2.436 383 Y HA 0.506 5.056 4.550 -0.000 0.000 0.327 383 Y C -1.796 173.955 175.900 -0.249 0.000 1.138 383 Y CA -0.622 57.380 58.100 -0.162 0.000 1.042 383 Y CB 1.608 39.992 38.460 -0.127 0.000 1.302 383 Y HN 0.625 nan 8.280 nan 0.000 0.439 384 E N 4.401 124.358 120.200 -0.406 0.000 2.288 384 E HA 0.473 4.823 4.350 -0.000 0.000 0.268 384 E C -1.423 174.796 176.600 -0.635 0.000 0.885 384 E CA -0.803 55.345 56.400 -0.420 0.000 0.767 384 E CB 2.733 32.416 29.700 -0.028 0.000 1.220 384 E HN 0.758 nan 8.360 nan 0.000 0.427 385 E N 0.228 120.160 120.200 -0.447 0.000 2.392 385 E HA 0.664 5.014 4.350 -0.000 0.000 0.279 385 E C -1.220 175.323 176.600 -0.095 0.000 0.964 385 E CA -1.095 55.143 56.400 -0.269 0.000 0.777 385 E CB 2.134 31.650 29.700 -0.308 0.000 1.249 385 E HN 0.071 nan 8.360 nan 0.000 0.449 386 K N 1.452 121.851 120.400 -0.002 0.000 2.565 386 K HA 0.323 4.643 4.320 -0.000 0.000 0.249 386 K C -1.705 174.846 176.600 -0.081 0.000 0.958 386 K CA -0.621 55.605 56.287 -0.101 0.000 0.806 386 K CB 1.482 33.898 32.500 -0.141 0.000 1.194 386 K HN 0.535 nan 8.250 nan 0.000 0.434 387 N N 4.330 122.945 118.700 -0.141 0.000 2.521 387 N HA 0.106 4.846 4.740 -0.000 0.000 0.236 387 N C -0.148 175.294 175.510 -0.113 0.000 1.067 387 N CA -0.304 52.726 53.050 -0.034 0.000 0.939 387 N CB 0.197 38.680 38.487 -0.005 0.000 1.201 387 N HN 0.667 nan 8.380 nan 0.000 0.511 388 W N 2.124 123.465 121.300 0.068 0.000 2.525 388 W HA -0.016 4.644 4.660 -0.000 0.000 0.259 388 W C 2.077 178.614 176.519 0.030 0.000 1.253 388 W CA 0.024 57.403 57.345 0.057 0.000 1.262 388 W CB -0.272 29.236 29.460 0.079 0.000 1.122 388 W HN 0.569 nan 8.180 nan 0.000 0.607 389 C N 0.585 119.996 119.300 0.185 0.000 2.409 389 C HA -0.194 4.266 4.460 -0.000 0.000 0.284 389 C C 2.292 177.313 174.990 0.052 0.000 1.354 389 C CA 1.591 60.671 59.018 0.105 0.000 1.787 389 C CB -1.560 26.223 27.740 0.072 0.000 1.900 389 C HN 0.501 nan 8.230 nan 0.000 0.520 390 E N 0.455 120.664 120.200 0.015 0.000 2.479 390 E HA 0.030 4.380 4.350 -0.000 0.000 0.193 390 E C -0.095 176.482 176.600 -0.038 0.000 1.049 390 E CA 0.198 56.584 56.400 -0.024 0.000 0.870 390 E CB -0.137 29.533 29.700 -0.050 0.000 0.944 390 E HN 0.462 nan 8.360 nan 0.000 0.492 391 E N 2.170 122.367 120.200 -0.004 0.000 2.129 391 E HA -0.009 4.341 4.350 -0.000 0.000 0.283 391 E C 0.468 177.056 176.600 -0.020 0.000 1.080 391 E CA 0.021 56.423 56.400 0.004 0.000 0.867 391 E CB 1.524 31.290 29.700 0.109 0.000 1.056 391 E HN 0.350 nan 8.360 nan 0.000 0.404 392 Q N 2.949 122.679 119.800 -0.117 0.000 2.135 392 Q HA -0.188 4.152 4.340 -0.000 0.000 0.204 392 Q C 0.346 176.101 176.000 -0.409 0.000 0.981 392 Q CA 1.611 57.223 55.803 -0.319 0.000 0.856 392 Q CB 0.100 28.511 28.738 -0.545 0.000 0.902 392 Q HN 0.587 nan 8.270 nan 0.000 0.425 393 Y N -1.085 119.241 120.300 0.044 0.000 2.524 393 Y HA 0.263 4.813 4.550 -0.000 0.000 0.266 393 Y C 1.530 177.487 175.900 0.096 0.000 1.180 393 Y CA -0.252 57.883 58.100 0.058 0.000 1.244 393 Y CB 0.897 39.382 38.460 0.042 0.000 1.125 393 Y HN 0.066 nan 8.280 nan 0.000 0.524 394 S N -1.483 114.344 115.700 0.212 0.000 2.807 394 S HA 0.273 4.743 4.470 -0.000 0.000 0.247 394 S C 1.886 176.566 174.600 0.134 0.000 1.078 394 S CA 0.598 58.928 58.200 0.216 0.000 0.867 394 S CB 0.450 63.862 63.200 0.354 0.000 0.797 394 S HN 0.541 nan 8.310 nan 0.000 0.515 395 G N 1.077 109.937 108.800 0.099 0.000 2.199 395 G HA2 0.070 4.030 3.960 -0.000 0.000 0.254 395 G HA3 0.070 4.030 3.960 -0.000 0.000 0.254 395 G C 0.520 175.466 174.900 0.076 0.000 0.982 395 G CA 0.158 45.289 45.100 0.050 0.000 0.632 395 G HN 1.354 nan 8.290 nan 0.000 0.529 396 G N -2.384 106.504 108.800 0.147 0.000 2.339 396 G HA2 0.500 4.460 3.960 -0.000 0.000 0.275 396 G HA3 0.500 4.460 3.960 -0.000 0.000 0.275 396 G C -0.881 174.101 174.900 0.138 0.000 1.323 396 G CA 0.294 45.488 45.100 0.156 0.000 0.927 396 G HN 1.547 nan 8.290 nan 0.000 0.486 397 C N -1.786 117.535 119.300 0.035 0.000 3.307 397 C HA 0.591 5.051 4.460 -0.000 0.000 0.333 397 C C 0.698 175.531 174.990 -0.263 0.000 1.291 397 C CA -0.634 58.328 59.018 -0.094 0.000 1.273 397 C CB 0.699 28.272 27.740 -0.278 0.000 1.580 397 C HN 0.723 nan 8.230 nan 0.000 0.481 398 Y N 0.653 120.887 120.300 -0.111 0.000 2.286 398 Y HA 0.234 4.784 4.550 -0.000 0.000 0.293 398 Y C 1.613 177.479 175.900 -0.057 0.000 1.124 398 Y CA 1.228 59.232 58.100 -0.160 0.000 1.178 398 Y CB -0.290 38.059 38.460 -0.185 0.000 1.010 398 Y HN 0.685 nan 8.280 nan 0.000 0.536 399 T N -1.857 112.800 114.554 0.172 0.000 2.731 399 T HA 0.334 4.684 4.350 -0.000 0.000 0.300 399 T C -0.852 173.964 174.700 0.193 0.000 1.283 399 T CA -0.720 61.515 62.100 0.226 0.000 1.005 399 T CB 1.085 70.184 68.868 0.385 0.000 1.420 399 T HN -0.162 nan 8.240 nan 0.000 0.503 400 T N 2.867 117.544 114.554 0.205 0.000 2.814 400 T HA 0.450 4.800 4.350 -0.000 0.000 0.297 400 T C -0.730 173.978 174.700 0.014 0.000 0.956 400 T CA 0.088 62.204 62.100 0.026 0.000 1.123 400 T CB -0.511 68.362 68.868 0.009 0.000 0.902 400 T HN 0.462 nan 8.240 nan 0.000 0.528 401 Y N 1.134 121.200 120.300 -0.391 0.000 2.496 401 Y HA 0.796 5.346 4.550 -0.000 0.000 0.331 401 Y C -1.204 174.101 175.900 -0.993 0.000 1.140 401 Y CA -2.272 55.220 58.100 -1.015 0.000 1.166 401 Y CB 0.761 38.750 38.460 -0.785 0.000 1.249 401 Y HN 0.390 nan 8.280 nan 0.000 0.479 402 F N 2.915 122.124 119.950 -1.236 0.000 2.402 402 F HA 0.567 5.094 4.527 -0.000 0.000 0.355 402 F C -2.314 173.380 175.800 -0.176 0.000 1.123 402 F CA -2.779 54.863 58.000 -0.596 0.000 1.021 402 F CB 1.478 40.222 39.000 -0.426 0.000 1.160 402 F HN 0.354 nan 8.300 nan 0.000 0.451 403 P HA 0.110 nan 4.420 nan 0.000 0.273 403 P C -2.527 174.874 177.300 0.168 0.000 1.250 403 P CA -1.089 62.086 63.100 0.124 0.000 0.793 403 P CB -0.141 31.579 31.700 0.033 0.000 1.011 404 P HA -0.030 nan 4.420 nan 0.000 0.265 404 P C 0.904 178.297 177.300 0.155 0.000 1.193 404 P CA 1.197 64.401 63.100 0.173 0.000 0.765 404 P CB -0.027 31.758 31.700 0.142 0.000 0.823 405 G N 2.674 111.577 108.800 0.172 0.000 2.241 405 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.244 405 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.244 405 G C 0.779 175.797 174.900 0.195 0.000 0.998 405 G CA 0.137 45.329 45.100 0.154 0.000 0.621 405 G HN 0.431 nan 8.290 nan 0.000 0.519 406 I N 0.220 120.941 120.570 0.251 0.000 2.494 406 I HA 0.201 4.371 4.170 -0.000 0.000 0.250 406 I C 2.615 178.979 176.117 0.412 0.000 1.112 406 I CA 1.183 62.695 61.300 0.353 0.000 1.438 406 I CB -1.189 36.956 38.000 0.241 0.000 1.111 406 I HN 0.276 nan 8.210 nan 0.000 0.431 407 L N 1.115 122.552 121.223 0.356 0.000 2.012 407 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 407 L C 2.689 179.604 176.870 0.075 0.000 1.073 407 L CA 2.619 57.503 54.840 0.073 0.000 0.748 407 L CB -1.018 40.986 42.059 -0.092 0.000 0.891 407 L HN 0.446 nan 8.230 nan 0.000 0.431 408 T N -3.857 110.768 114.554 0.118 0.000 2.746 408 T HA -0.204 4.146 4.350 -0.000 0.000 0.267 408 T C 1.833 176.494 174.700 -0.066 0.000 1.039 408 T CA 1.260 63.406 62.100 0.076 0.000 1.142 408 T CB -0.450 68.466 68.868 0.081 0.000 0.866 408 T HN 0.385 nan 8.240 nan 0.000 0.444 409 Q N 0.096 119.855 119.800 -0.069 0.000 2.137 409 Q HA 0.065 4.405 4.340 -0.000 0.000 0.198 409 Q C 1.199 176.879 176.000 -0.532 0.000 0.960 409 Q CA 1.297 56.923 55.803 -0.295 0.000 0.847 409 Q CB -0.066 28.498 28.738 -0.290 0.000 0.915 409 Q HN 0.809 nan 8.270 nan 0.000 0.448 410 Y N -1.936 118.284 120.300 -0.134 0.000 2.499 410 Y HA 0.285 4.835 4.550 -0.000 0.000 0.253 410 Y C 1.968 177.714 175.900 -0.256 0.000 1.105 410 Y CA 0.033 58.033 58.100 -0.166 0.000 1.240 410 Y CB 0.123 38.536 38.460 -0.077 0.000 1.289 410 Y HN 0.068 nan 8.280 nan 0.000 0.534 411 G N 0.927 109.587 108.800 -0.234 0.000 2.469 411 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.220 411 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.220 411 G C 1.703 176.037 174.900 -0.943 0.000 1.136 411 G CA 0.912 45.730 45.100 -0.469 0.000 0.759 411 G HN 0.304 nan 8.290 nan 0.000 0.562 412 R N -0.097 119.607 120.500 -1.326 0.000 2.152 412 R HA -0.037 4.303 4.340 -0.000 0.000 0.232 412 R C 2.719 178.781 176.300 -0.396 0.000 1.117 412 R CA 1.304 56.773 56.100 -1.052 0.000 0.981 412 R CB -0.343 29.478 30.300 -0.799 0.000 0.870 412 R HN 0.493 nan 8.270 nan 0.000 0.451 413 V N -1.548 118.190 119.914 -0.294 0.000 2.871 413 V HA -0.067 4.053 4.120 -0.000 0.000 0.256 413 V C 1.927 177.909 176.094 -0.185 0.000 1.082 413 V CA 0.860 63.050 62.300 -0.184 0.000 1.105 413 V CB -0.401 31.335 31.823 -0.144 0.000 0.713 413 V HN 0.068 nan 8.190 nan 0.000 0.473 414 L N 2.165 123.306 121.223 -0.136 0.000 2.034 414 L HA -0.179 4.161 4.340 -0.000 0.000 0.217 414 L C 2.689 179.501 176.870 -0.097 0.000 1.077 414 L CA 2.795 57.580 54.840 -0.093 0.000 0.769 414 L CB -0.705 41.401 42.059 0.079 0.000 0.890 414 L HN 0.699 nan 8.230 nan 0.000 0.435 415 R N -0.845 119.693 120.500 0.063 0.000 2.507 415 R HA 0.155 4.495 4.340 -0.000 0.000 0.298 415 R C 0.474 176.906 176.300 0.221 0.000 0.999 415 R CA -0.227 55.988 56.100 0.192 0.000 1.082 415 R CB -0.218 30.267 30.300 0.308 0.000 1.246 415 R HN 0.336 nan 8.270 nan 0.000 0.553 416 Q N 2.431 122.286 119.800 0.092 0.000 2.296 416 Q HA 0.255 4.595 4.340 -0.000 0.000 0.262 416 Q C -2.197 173.912 176.000 0.180 0.000 0.981 416 Q CA -2.251 53.611 55.803 0.099 0.000 0.905 416 Q CB 1.188 29.929 28.738 0.006 0.000 1.186 416 Q HN 0.089 nan 8.270 nan 0.000 0.399 417 P HA -0.027 nan 4.420 nan 0.000 0.268 417 P C -1.245 176.037 177.300 -0.031 0.000 1.205 417 P CA -0.046 62.954 63.100 -0.166 0.000 0.771 417 P CB 0.685 32.019 31.700 -0.610 0.000 0.858 418 V N 3.658 123.577 119.914 0.008 0.000 2.257 418 V HA 0.140 4.260 4.120 -0.000 0.000 0.269 418 V C 0.712 176.786 176.094 -0.033 0.000 1.040 418 V CA 0.238 62.554 62.300 0.026 0.000 0.813 418 V CB -0.115 31.769 31.823 0.101 0.000 1.065 418 V HN 0.784 nan 8.190 nan 0.000 0.457 419 D N 3.907 124.287 120.400 -0.034 0.000 4.508 419 D HA -0.300 4.340 4.640 -0.000 0.000 0.178 419 D C 1.355 177.677 176.300 0.036 0.000 0.644 419 D CA 2.396 56.402 54.000 0.010 0.000 1.244 419 D CB -0.364 40.456 40.800 0.033 0.000 0.727 419 D HN 0.527 nan 8.370 nan 0.000 0.495 420 R N -0.195 120.360 120.500 0.092 0.000 2.509 420 R HA 0.462 4.802 4.340 -0.000 0.000 0.300 420 R C -0.247 176.219 176.300 0.276 0.000 0.985 420 R CA -0.160 56.122 56.100 0.303 0.000 1.092 420 R CB 0.546 30.965 30.300 0.198 0.000 1.237 420 R HN 0.279 nan 8.270 nan 0.000 0.546 421 I N 1.395 121.956 120.570 -0.015 0.000 2.321 421 I HA 0.225 4.395 4.170 -0.000 0.000 0.291 421 I C -0.625 175.178 176.117 -0.522 0.000 0.998 421 I CA -0.697 60.509 61.300 -0.157 0.000 1.227 421 I CB 0.708 38.580 38.000 -0.214 0.000 1.368 421 I HN -0.087 nan 8.210 nan 0.000 0.466 422 Y N 5.462 125.522 120.300 -0.400 0.000 2.419 422 Y HA 0.510 5.060 4.550 -0.000 0.000 0.328 422 Y C -0.431 175.101 175.900 -0.612 0.000 1.162 422 Y CA -0.655 57.212 58.100 -0.388 0.000 1.174 422 Y CB 1.245 39.602 38.460 -0.173 0.000 1.228 422 Y HN 0.286 nan 8.280 nan 0.000 0.473 423 F N 1.344 121.392 119.950 0.163 0.000 2.402 423 F HA 0.701 5.228 4.527 -0.000 0.000 0.355 423 F C 0.397 176.271 175.800 0.124 0.000 1.123 423 F CA -0.514 57.561 58.000 0.125 0.000 1.021 423 F CB 1.028 40.086 39.000 0.097 0.000 1.160 423 F HN 0.595 nan 8.300 nan 0.000 0.451 424 A N 2.263 125.241 122.820 0.263 0.000 3.521 424 A HA 0.972 5.292 4.320 -0.000 0.000 0.181 424 A C 0.260 177.976 177.584 0.219 0.000 1.386 424 A CA -0.486 51.666 52.037 0.192 0.000 0.873 424 A CB 0.247 19.316 19.000 0.115 0.000 1.634 424 A HN 1.469 nan 8.150 nan 0.000 0.551 425 G N -2.344 106.563 108.800 0.180 0.000 2.785 425 G HA2 0.112 4.072 3.960 -0.000 0.000 0.686 425 G HA3 0.112 4.072 3.960 -0.000 0.000 0.686 425 G C 0.417 175.449 174.900 0.219 0.000 1.155 425 G CA 0.634 45.848 45.100 0.190 0.000 0.760 425 G HN 1.599 nan 8.290 nan 0.000 0.624 426 T N 0.240 114.925 114.554 0.218 0.000 2.849 426 T HA -0.092 4.258 4.350 -0.000 0.000 0.270 426 T C 2.149 177.051 174.700 0.337 0.000 1.066 426 T CA 2.647 64.903 62.100 0.260 0.000 1.130 426 T CB -0.184 68.833 68.868 0.248 0.000 0.864 426 T HN 0.623 nan 8.240 nan 0.000 0.481 427 E N 0.702 121.108 120.200 0.343 0.000 2.209 427 E HA -0.081 4.269 4.350 -0.000 0.000 0.196 427 E C 2.220 179.083 176.600 0.439 0.000 0.993 427 E CA 1.655 58.310 56.400 0.425 0.000 0.819 427 E CB -0.330 29.580 29.700 0.349 0.000 0.745 427 E HN 0.708 nan 8.360 nan 0.000 0.477 428 T N -2.509 112.264 114.554 0.364 0.000 3.144 428 T HA 0.505 4.855 4.350 -0.000 0.000 0.249 428 T C 0.684 175.628 174.700 0.406 0.000 1.089 428 T CA -0.003 62.316 62.100 0.366 0.000 0.989 428 T CB 0.109 69.168 68.868 0.318 0.000 0.992 428 T HN 0.109 nan 8.240 nan 0.000 0.540 429 A N 1.507 124.572 122.820 0.407 0.000 2.313 429 A HA 0.571 4.891 4.320 -0.000 0.000 0.261 429 A C 1.524 179.375 177.584 0.445 0.000 1.090 429 A CA 0.042 52.319 52.037 0.400 0.000 0.807 429 A CB 0.458 19.652 19.000 0.322 0.000 1.055 429 A HN 0.510 nan 8.150 nan 0.000 0.492 430 T N -2.676 112.113 114.554 0.390 0.000 2.985 430 T HA 0.226 4.576 4.350 -0.000 0.000 0.254 430 T C 0.298 175.088 174.700 0.150 0.000 1.021 430 T CA 0.716 62.992 62.100 0.294 0.000 0.957 430 T CB -0.347 68.623 68.868 0.171 0.000 1.047 430 T HN 0.738 nan 8.240 nan 0.000 0.511 431 H N -1.134 117.948 119.070 0.020 0.000 2.924 431 H HA 0.305 4.861 4.556 -0.000 0.000 0.333 431 H C -0.994 174.319 175.328 -0.025 0.000 0.979 431 H CA -1.142 54.827 56.048 -0.132 0.000 1.326 431 H CB 0.868 30.620 29.762 -0.018 0.000 1.600 431 H HN 0.323 nan 8.280 nan 0.000 0.520 432 W N 2.146 123.202 121.300 -0.405 0.000 4.435 432 W HA -0.254 4.406 4.660 0.000 0.000 0.351 432 W C 0.430 176.853 176.519 -0.161 0.000 1.319 432 W CA 0.872 57.902 57.345 -0.525 0.000 0.791 432 W CB -1.642 27.441 29.460 -0.629 0.000 2.419 432 W HN 0.428 nan 8.180 nan 0.000 1.406 433 S N 0.627 116.336 115.700 0.015 0.000 2.552 433 S HA 0.404 4.874 4.470 -0.000 0.000 0.289 433 S C 1.370 176.148 174.600 0.297 0.000 1.304 433 S CA 1.673 59.998 58.200 0.207 0.000 1.063 433 S CB 0.956 64.334 63.200 0.297 0.000 0.848 433 S HN 1.412 nan 8.310 nan 0.000 0.499 434 G N 2.963 112.037 108.800 0.457 0.000 2.238 434 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.217 434 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.217 434 G C -0.253 174.802 174.900 0.258 0.000 0.996 434 G CA 0.136 45.539 45.100 0.506 0.000 0.632 434 G HN 0.700 nan 8.290 nan 0.000 0.503 435 Y N -0.185 120.219 120.300 0.172 0.000 2.587 435 Y HA 0.704 5.254 4.550 -0.000 0.000 0.337 435 Y C 1.976 177.912 175.900 0.059 0.000 1.065 435 Y CA -0.761 57.390 58.100 0.086 0.000 1.126 435 Y CB 0.971 39.467 38.460 0.059 0.000 1.279 435 Y HN -0.016 nan 8.280 nan 0.000 0.489 436 M N -0.126 119.581 119.600 0.177 0.000 2.144 436 M HA -0.236 4.244 4.480 -0.000 0.000 0.260 436 M C 1.814 178.177 176.300 0.105 0.000 1.067 436 M CA 2.065 57.437 55.300 0.119 0.000 1.095 436 M CB -0.261 32.402 32.600 0.106 0.000 1.365 436 M HN 0.776 nan 8.290 nan 0.000 0.406 437 E N 0.731 120.969 120.200 0.064 0.000 2.085 437 E HA -0.145 4.205 4.350 -0.000 0.000 0.194 437 E C 1.968 178.633 176.600 0.108 0.000 0.994 437 E CA 2.015 58.417 56.400 0.003 0.000 0.801 437 E CB -0.629 28.933 29.700 -0.230 0.000 0.743 437 E HN 0.441 nan 8.360 nan 0.000 0.453 438 G N -0.086 108.829 108.800 0.192 0.000 2.422 438 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.218 438 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.218 438 G C 1.677 176.694 174.900 0.195 0.000 1.140 438 G CA 0.881 46.114 45.100 0.221 0.000 0.775 438 G HN 0.459 nan 8.290 nan 0.000 0.545 439 A N 0.481 123.404 122.820 0.172 0.000 1.883 439 A HA 0.011 4.331 4.320 -0.000 0.000 0.217 439 A C 2.612 180.261 177.584 0.108 0.000 1.186 439 A CA 1.951 54.073 52.037 0.141 0.000 0.624 439 A CB -0.772 18.300 19.000 0.120 0.000 0.822 439 A HN 0.258 nan 8.150 nan 0.000 0.444 440 V N 0.323 120.291 119.914 0.091 0.000 2.255 440 V HA -0.318 3.802 4.120 -0.000 0.000 0.247 440 V C 2.595 178.733 176.094 0.073 0.000 1.051 440 V CA 2.440 64.780 62.300 0.066 0.000 1.018 440 V CB -0.867 30.989 31.823 0.054 0.000 0.641 440 V HN 0.780 nan 8.190 nan 0.000 0.445 441 E N 0.369 120.633 120.200 0.106 0.000 2.058 441 E HA -0.252 4.098 4.350 -0.000 0.000 0.194 441 E C 2.210 178.859 176.600 0.083 0.000 0.997 441 E CA 1.630 58.103 56.400 0.122 0.000 0.801 441 E CB -0.191 29.629 29.700 0.201 0.000 0.746 441 E HN 0.557 nan 8.360 nan 0.000 0.450 442 A N 0.715 123.604 122.820 0.114 0.000 1.929 442 A HA -0.019 4.301 4.320 -0.000 0.000 0.216 442 A C 2.400 180.010 177.584 0.044 0.000 1.176 442 A CA 1.532 53.627 52.037 0.097 0.000 0.628 442 A CB -0.962 18.140 19.000 0.170 0.000 0.816 442 A HN 0.445 nan 8.150 nan 0.000 0.444 443 G N -0.201 108.629 108.800 0.050 0.000 2.421 443 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.216 443 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.216 443 G C 1.426 176.314 174.900 -0.020 0.000 1.171 443 G CA 0.965 46.079 45.100 0.023 0.000 0.775 443 G HN 0.645 nan 8.290 nan 0.000 0.543 444 E N -0.143 120.043 120.200 -0.024 0.000 2.072 444 E HA -0.088 4.262 4.350 -0.000 0.000 0.191 444 E C 2.576 179.105 176.600 -0.118 0.000 0.985 444 E CA 0.382 56.751 56.400 -0.052 0.000 0.801 444 E CB -0.131 29.555 29.700 -0.024 0.000 0.750 444 E HN 0.197 nan 8.360 nan 0.000 0.452 445 R N 1.299 121.693 120.500 -0.177 0.000 2.073 445 R HA -0.090 4.250 4.340 -0.000 0.000 0.234 445 R C 2.097 178.217 176.300 -0.300 0.000 1.134 445 R CA 1.588 57.464 56.100 -0.374 0.000 0.952 445 R CB -0.363 29.531 30.300 -0.677 0.000 0.850 445 R HN 0.164 nan 8.270 nan 0.000 0.433 446 A N 0.713 123.430 122.820 -0.172 0.000 1.930 446 A HA 0.011 4.331 4.320 -0.000 0.000 0.217 446 A C 2.403 179.889 177.584 -0.164 0.000 1.175 446 A CA 1.547 53.526 52.037 -0.098 0.000 0.627 446 A CB -0.637 18.368 19.000 0.009 0.000 0.815 446 A HN 0.491 nan 8.150 nan 0.000 0.443 447 A N 0.005 122.742 122.820 -0.139 0.000 1.908 447 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 447 A C 2.249 179.716 177.584 -0.195 0.000 1.181 447 A CA 1.654 53.600 52.037 -0.151 0.000 0.627 447 A CB -0.451 18.495 19.000 -0.089 0.000 0.818 447 A HN 0.549 nan 8.150 nan 0.000 0.445 448 R N -0.611 119.779 120.500 -0.184 0.000 2.148 448 R HA -0.047 4.293 4.340 -0.000 0.000 0.223 448 R C 2.031 178.217 176.300 -0.190 0.000 1.088 448 R CA 1.123 57.122 56.100 -0.168 0.000 0.985 448 R CB -0.214 29.998 30.300 -0.147 0.000 0.880 448 R HN 0.687 nan 8.270 nan 0.000 0.451 449 E N 0.799 120.849 120.200 -0.250 0.000 2.058 449 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 449 E C 1.975 178.278 176.600 -0.494 0.000 0.997 449 E CA 1.231 57.482 56.400 -0.248 0.000 0.801 449 E CB -0.134 29.475 29.700 -0.151 0.000 0.746 449 E HN 0.302 nan 8.360 nan 0.000 0.450 450 I N 1.143 121.263 120.570 -0.751 0.000 2.163 450 I HA -0.308 3.862 4.170 -0.000 0.000 0.243 450 I C 2.414 178.218 176.117 -0.521 0.000 1.085 450 I CA 1.043 61.802 61.300 -0.902 0.000 1.347 450 I CB -0.271 37.248 38.000 -0.802 0.000 1.044 450 I HN 0.122 nan 8.210 nan 0.000 0.408 451 L N -0.060 120.985 121.223 -0.297 0.000 2.043 451 L HA -0.308 4.032 4.340 -0.000 0.000 0.212 451 L C 2.741 179.546 176.870 -0.109 0.000 1.075 451 L CA 1.964 56.708 54.840 -0.160 0.000 0.752 451 L CB -1.015 40.985 42.059 -0.098 0.000 0.891 451 L HN 0.404 nan 8.230 nan 0.000 0.432 452 H N -0.068 118.896 119.070 -0.176 0.000 2.357 452 H HA -0.094 4.462 4.556 -0.000 0.000 0.301 452 H C 2.126 177.393 175.328 -0.102 0.000 1.082 452 H CA 1.458 57.442 56.048 -0.108 0.000 1.342 452 H CB 0.066 29.784 29.762 -0.074 0.000 1.389 452 H HN 0.260 nan 8.280 nan 0.000 0.511 453 A N 0.655 123.305 122.820 -0.284 0.000 1.978 453 A HA -0.161 4.159 4.320 -0.000 0.000 0.220 453 A C 2.326 179.815 177.584 -0.158 0.000 1.170 453 A CA 1.780 53.656 52.037 -0.268 0.000 0.636 453 A CB -0.684 18.111 19.000 -0.340 0.000 0.810 453 A HN 0.580 nan 8.150 nan 0.000 0.448 454 M N -1.360 118.145 119.600 -0.158 0.000 2.619 454 M HA 0.111 4.591 4.480 -0.000 0.000 0.251 454 M C 1.363 177.634 176.300 -0.048 0.000 1.106 454 M CA 0.850 56.140 55.300 -0.016 0.000 1.086 454 M CB 0.066 32.675 32.600 0.015 0.000 1.465 454 M HN 0.652 nan 8.290 nan 0.000 0.506 455 G N 0.761 109.489 108.800 -0.120 0.000 2.143 455 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.249 455 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.249 455 G C 0.834 175.706 174.900 -0.046 0.000 0.981 455 G CA 0.585 45.627 45.100 -0.097 0.000 0.665 455 G HN 0.445 nan 8.290 nan 0.000 0.528 456 K N -0.417 119.958 120.400 -0.041 0.000 2.243 456 K HA 0.336 4.656 4.320 -0.000 0.000 0.201 456 K C 1.363 177.965 176.600 0.005 0.000 1.051 456 K CA 1.332 57.608 56.287 -0.018 0.000 0.970 456 K CB 0.124 32.608 32.500 -0.026 0.000 0.755 456 K HN 0.813 nan 8.250 nan 0.000 0.465 457 I N -2.546 118.043 120.570 0.032 0.000 2.969 457 I HA 0.471 4.641 4.170 -0.000 0.000 0.307 457 I C -2.924 173.277 176.117 0.141 0.000 1.149 457 I CA -3.044 58.292 61.300 0.060 0.000 1.008 457 I CB 2.241 40.264 38.000 0.038 0.000 1.232 457 I HN -0.263 nan 8.210 nan 0.000 0.435 458 P HA 0.099 nan 4.420 nan 0.000 0.274 458 P C 0.249 177.603 177.300 0.090 0.000 1.256 458 P CA 0.012 63.200 63.100 0.147 0.000 0.795 458 P CB 1.024 32.769 31.700 0.074 0.000 1.038 459 E N 1.064 121.247 120.200 -0.029 0.000 2.160 459 E HA -0.253 4.097 4.350 -0.000 0.000 0.195 459 E C 1.137 177.655 176.600 -0.136 0.000 0.991 459 E CA 1.808 57.982 56.400 -0.376 0.000 0.810 459 E CB -0.485 29.042 29.700 -0.289 0.000 0.742 459 E HN 0.440 nan 8.360 nan 0.000 0.466 460 D N 0.119 120.503 120.400 -0.027 0.000 2.378 460 D HA -0.145 4.495 4.640 -0.000 0.000 0.227 460 D C 0.919 177.244 176.300 0.042 0.000 1.012 460 D CA 0.599 54.614 54.000 0.025 0.000 0.905 460 D CB -0.154 40.664 40.800 0.029 0.000 0.895 460 D HN 0.441 nan 8.370 nan 0.000 0.532 461 E N -0.373 119.837 120.200 0.016 0.000 2.474 461 E HA 0.175 4.525 4.350 -0.000 0.000 0.195 461 E C 1.836 178.435 176.600 -0.003 0.000 1.039 461 E CA -0.259 56.154 56.400 0.021 0.000 0.881 461 E CB 0.279 29.989 29.700 0.016 0.000 0.970 461 E HN 0.321 nan 8.360 nan 0.000 0.486 462 I N -0.056 120.495 120.570 -0.032 0.000 2.179 462 I HA -0.186 3.984 4.170 -0.000 0.000 0.242 462 I C 0.497 176.483 176.117 -0.218 0.000 1.088 462 I CA 1.165 62.378 61.300 -0.146 0.000 1.357 462 I CB 0.080 37.962 38.000 -0.197 0.000 1.051 462 I HN 0.096 nan 8.210 nan 0.000 0.409 463 W N 1.381 122.681 121.300 -0.001 0.000 2.349 463 W HA 0.511 5.171 4.660 -0.000 0.000 0.309 463 W C 0.061 176.588 176.519 0.013 0.000 1.083 463 W CA -0.285 57.071 57.345 0.017 0.000 1.224 463 W CB 0.741 30.211 29.460 0.017 0.000 1.256 463 W HN -0.064 nan 8.180 nan 0.000 0.461 464 Q N 2.600 122.530 119.800 0.216 0.000 2.337 464 Q HA 0.417 4.757 4.340 -0.000 0.000 0.270 464 Q C 0.094 176.176 176.000 0.137 0.000 1.043 464 Q CA -0.551 55.334 55.803 0.136 0.000 0.794 464 Q CB 1.748 30.531 28.738 0.075 0.000 1.281 464 Q HN 0.531 nan 8.270 nan 0.000 0.446 465 S N 2.415 118.178 115.700 0.105 0.000 2.593 465 S HA 0.314 4.784 4.470 -0.000 0.000 0.269 465 S C -0.254 174.392 174.600 0.077 0.000 1.334 465 S CA -0.527 57.726 58.200 0.088 0.000 1.015 465 S CB 1.386 64.620 63.200 0.058 0.000 0.912 465 S HN 0.660 nan 8.310 nan 0.000 0.541 466 E N 1.203 121.450 120.200 0.078 0.000 2.191 466 E HA 0.552 4.902 4.350 -0.000 0.000 0.263 466 E C -2.805 173.828 176.600 0.056 0.000 0.881 466 E CA -2.189 54.252 56.400 0.069 0.000 0.757 466 E CB 1.018 30.768 29.700 0.084 0.000 1.147 466 E HN 0.548 nan 8.360 nan 0.000 0.414 467 P HA 0.019 nan 4.420 nan 0.000 0.265 467 P C -0.669 176.652 177.300 0.034 0.000 1.193 467 P CA -0.058 63.062 63.100 0.034 0.000 0.765 467 P CB 0.477 32.193 31.700 0.027 0.000 0.823 468 E N 2.114 122.332 120.200 0.032 0.000 2.452 468 E HA 0.052 4.402 4.350 -0.000 0.000 0.261 468 E C -0.083 176.530 176.600 0.021 0.000 0.987 468 E CA -0.296 56.122 56.400 0.029 0.000 0.926 468 E CB 0.386 30.102 29.700 0.026 0.000 0.934 468 E HN 0.396 nan 8.360 nan 0.000 0.452 469 S N 3.218 118.928 115.700 0.016 0.000 2.537 469 S HA -0.044 4.426 4.470 -0.000 0.000 0.286 469 S C 1.287 175.894 174.600 0.011 0.000 1.299 469 S CA -0.156 58.051 58.200 0.012 0.000 1.067 469 S CB 0.912 64.114 63.200 0.003 0.000 0.864 469 S HN 0.583 nan 8.310 nan 0.000 0.494 470 V N 2.275 122.196 119.914 0.013 0.000 2.427 470 V HA -0.060 4.060 4.120 -0.000 0.000 0.248 470 V C 1.760 177.860 176.094 0.010 0.000 1.051 470 V CA 1.915 64.222 62.300 0.012 0.000 1.048 470 V CB -0.853 30.977 31.823 0.013 0.000 0.666 470 V HN 0.874 nan 8.190 nan 0.000 0.456 471 D N 0.917 121.323 120.400 0.011 0.000 2.149 471 D HA -0.001 4.639 4.640 -0.000 0.000 0.201 471 D C 0.994 177.294 176.300 0.000 0.000 0.972 471 D CA 1.642 55.648 54.000 0.010 0.000 0.835 471 D CB 0.317 41.128 40.800 0.018 0.000 0.966 471 D HN 0.522 nan 8.370 nan 0.000 0.476 472 V N 3.393 123.302 119.914 -0.008 0.000 2.446 472 V HA 0.178 4.298 4.120 -0.000 0.000 0.257 472 V C -2.381 173.703 176.094 -0.018 0.000 1.036 472 V CA -1.258 61.027 62.300 -0.025 0.000 1.196 472 V CB 0.894 32.686 31.823 -0.052 0.000 1.446 472 V HN -0.029 nan 8.190 nan 0.000 0.558 473 P HA 0.289 nan 4.420 nan 0.000 0.271 473 P C -0.185 177.115 177.300 -0.000 0.000 1.216 473 P CA 0.279 63.379 63.100 0.000 0.000 0.776 473 P CB 1.292 32.995 31.700 0.004 0.000 0.881 474 A N 3.355 126.181 122.820 0.009 0.000 2.331 474 A HA 0.363 4.683 4.320 -0.000 0.000 0.283 474 A C 0.188 177.779 177.584 0.012 0.000 1.142 474 A CA -0.355 51.691 52.037 0.014 0.000 0.812 474 A CB 0.070 19.089 19.000 0.033 0.000 1.074 474 A HN 0.446 nan 8.150 nan 0.000 0.497 475 Q N 1.694 121.500 119.800 0.009 0.000 2.230 475 Q HA 0.462 4.802 4.340 -0.000 0.000 0.248 475 Q C -2.334 173.671 176.000 0.009 0.000 0.915 475 Q CA -2.219 53.589 55.803 0.008 0.000 0.900 475 Q CB 0.538 29.280 28.738 0.006 0.000 1.229 475 Q HN 0.533 nan 8.270 nan 0.000 0.439 476 P HA 0.100 nan 4.420 nan 0.000 0.269 476 P C -0.339 176.962 177.300 0.002 0.000 1.215 476 P CA -0.236 62.866 63.100 0.003 0.000 0.780 476 P CB 0.591 32.292 31.700 0.001 0.000 0.898 477 I N 2.158 122.726 120.570 -0.004 0.000 2.396 477 I HA 0.143 4.313 4.170 -0.000 0.000 0.289 477 I C 1.245 177.358 176.117 -0.007 0.000 1.056 477 I CA 0.237 61.533 61.300 -0.006 0.000 1.365 477 I CB -0.005 37.985 38.000 -0.017 0.000 1.407 477 I HN 0.416 nan 8.210 nan 0.000 0.509 478 T N 2.297 116.852 114.554 0.000 0.000 2.940 478 T HA 0.818 5.168 4.350 -0.000 0.000 0.288 478 T C 0.043 174.743 174.700 -0.000 0.000 1.033 478 T CA -0.630 61.472 62.100 0.003 0.000 1.033 478 T CB 2.231 71.107 68.868 0.013 0.000 1.079 478 T HN 0.658 nan 8.240 nan 0.000 0.496 479 T N -1.449 113.104 114.554 -0.001 0.000 2.907 479 T HA 0.752 5.102 4.350 -0.000 0.000 0.290 479 T C 0.101 174.814 174.700 0.023 0.000 1.066 479 T CA -0.630 61.466 62.100 -0.006 0.000 1.012 479 T CB 1.343 70.185 68.868 -0.042 0.000 1.184 479 T HN 1.053 nan 8.240 nan 0.000 0.522 480 T N -0.704 113.870 114.554 0.032 0.000 2.943 480 T HA 0.472 4.822 4.350 -0.000 0.000 0.284 480 T C 0.841 175.611 174.700 0.117 0.000 1.015 480 T CA -0.834 61.319 62.100 0.089 0.000 1.042 480 T CB 0.922 69.848 68.868 0.097 0.000 1.055 480 T HN 0.509 nan 8.240 nan 0.000 0.500 481 F N 1.190 121.170 119.950 0.049 0.000 2.045 481 F HA -0.149 4.378 4.527 -0.000 0.000 0.297 481 F C 1.988 177.860 175.800 0.121 0.000 1.114 481 F CA 1.747 59.816 58.000 0.115 0.000 1.207 481 F CB -0.717 38.346 39.000 0.105 0.000 0.964 481 F HN 0.569 nan 8.300 nan 0.000 0.486 482 L N 0.096 121.413 121.223 0.157 0.000 2.013 482 L HA -0.276 4.064 4.340 -0.000 0.000 0.212 482 L C 2.447 179.307 176.870 -0.017 0.000 1.073 482 L CA 2.084 56.960 54.840 0.059 0.000 0.753 482 L CB -0.835 41.300 42.059 0.127 0.000 0.890 482 L HN 0.215 nan 8.230 nan 0.000 0.432 483 E N -0.459 119.735 120.200 -0.011 0.000 2.085 483 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 483 E C 2.371 178.872 176.600 -0.164 0.000 0.994 483 E CA 1.123 57.486 56.400 -0.062 0.000 0.801 483 E CB -0.121 29.547 29.700 -0.053 0.000 0.743 483 E HN 0.399 nan 8.360 nan 0.000 0.453 484 R N -0.395 119.946 120.500 -0.265 0.000 2.120 484 R HA -0.087 4.253 4.340 -0.000 0.000 0.234 484 R C 1.668 177.569 176.300 -0.666 0.000 1.123 484 R CA 1.074 56.875 56.100 -0.498 0.000 0.975 484 R CB 0.042 29.947 30.300 -0.658 0.000 0.866 484 R HN 0.308 nan 8.270 nan 0.000 0.446 485 H N -1.230 117.669 119.070 -0.286 0.000 3.241 485 H HA 0.205 4.761 4.556 -0.000 0.000 0.260 485 H C 0.340 175.551 175.328 -0.196 0.000 1.084 485 H CA -0.248 55.614 56.048 -0.309 0.000 1.203 485 H CB 0.449 29.855 29.762 -0.592 0.000 1.524 485 H HN 0.013 nan 8.280 nan 0.000 0.521 486 L N 4.284 125.477 121.223 -0.051 0.000 2.529 486 L HA 0.011 4.351 4.340 -0.000 0.000 0.287 486 L C -1.652 175.201 176.870 -0.029 0.000 1.241 486 L CA -1.105 53.730 54.840 -0.008 0.000 0.857 486 L CB 0.217 42.310 42.059 0.057 0.000 1.113 486 L HN 0.008 nan 8.230 nan 0.000 0.504 487 P HA 0.145 nan 4.420 nan 0.000 0.276 487 P C -0.709 176.548 177.300 -0.071 0.000 1.252 487 P CA -0.621 62.448 63.100 -0.052 0.000 0.802 487 P CB 1.138 32.805 31.700 -0.056 0.000 1.035 488 S N -0.069 115.570 115.700 -0.102 0.000 2.626 488 S HA 0.091 4.561 4.470 -0.000 0.000 0.257 488 S C 1.548 176.018 174.600 -0.216 0.000 1.288 488 S CA -0.535 57.581 58.200 -0.139 0.000 0.980 488 S CB -0.502 62.613 63.200 -0.141 0.000 0.975 488 S HN 0.222 nan 8.310 nan 0.000 0.577 489 V N 2.472 122.192 119.914 -0.324 0.000 2.237 489 V HA -0.078 4.042 4.120 -0.000 0.000 0.245 489 V C -0.387 175.288 176.094 -0.698 0.000 1.046 489 V CA 1.978 63.985 62.300 -0.489 0.000 1.007 489 V CB -1.953 29.572 31.823 -0.496 0.000 0.638 489 V HN 0.813 nan 8.190 nan 0.000 0.445 490 P HA -0.109 nan 4.420 nan 0.000 0.220 490 P C 1.619 178.724 177.300 -0.326 0.000 1.148 490 P CA 1.978 64.651 63.100 -0.711 0.000 0.803 490 P CB -0.249 31.159 31.700 -0.488 0.000 0.782 491 G N -0.049 108.602 108.800 -0.248 0.000 2.464 491 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.217 491 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.217 491 G C 1.414 176.238 174.900 -0.128 0.000 1.138 491 G CA 0.116 45.129 45.100 -0.144 0.000 0.793 491 G HN 0.219 nan 8.290 nan 0.000 0.539 492 L N 0.299 121.426 121.223 -0.160 0.000 2.270 492 L HA 0.320 4.660 4.340 -0.000 0.000 0.210 492 L C 2.513 179.309 176.870 -0.124 0.000 1.104 492 L CA 0.871 55.638 54.840 -0.121 0.000 0.804 492 L CB -0.117 41.874 42.059 -0.113 0.000 0.937 492 L HN 0.125 nan 8.230 nan 0.000 0.450 493 L N -1.137 119.979 121.223 -0.178 0.000 2.044 493 L HA -0.122 4.218 4.340 -0.000 0.000 0.205 493 L C 2.523 179.340 176.870 -0.089 0.000 1.075 493 L CA 0.972 55.727 54.840 -0.141 0.000 0.747 493 L CB -0.562 41.380 42.059 -0.196 0.000 0.903 493 L HN 0.161 nan 8.230 nan 0.000 0.435 494 R N -0.139 120.307 120.500 -0.091 0.000 2.249 494 R HA -0.136 4.204 4.340 -0.000 0.000 0.230 494 R C 1.680 177.954 176.300 -0.043 0.000 1.121 494 R CA 0.825 56.892 56.100 -0.054 0.000 0.997 494 R CB -0.112 30.158 30.300 -0.049 0.000 0.867 494 R HN 0.201 nan 8.270 nan 0.000 0.465 495 L N -0.134 121.059 121.223 -0.051 0.000 2.607 495 L HA 0.167 4.507 4.340 -0.000 0.000 0.228 495 L C 0.245 177.096 176.870 -0.030 0.000 1.123 495 L CA 0.404 55.222 54.840 -0.037 0.000 0.890 495 L CB 0.294 42.329 42.059 -0.040 0.000 1.103 495 L HN -0.035 nan 8.230 nan 0.000 0.468 496 I N 0.000 120.550 120.570 -0.033 0.000 2.984 496 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 496 I CA 0.000 61.285 61.300 -0.024 0.000 1.566 496 I CB 0.000 37.983 38.000 -0.028 0.000 1.214 496 I HN 0.000 nan 8.210 nan 0.000 0.494