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 2w98_1_A DATA FIRST_RESID 0 DATA SEQUENCE MMIVQRVVLN SRPGKNGNPV AENFRMEEVY LPDNINEGQV QVRTLYLSVD DATA SEQUENCE PYMRCRMNED TGTDYITPWQ LSQVVDGGGI GIIEESKHTN LTKGDFVTSF DATA SEQUENCE YWPWQTKVIL DGNSLEKVDP QLVDGHLSYF LGAIGMPGLT SLIGIQEKGH DATA SEQUENCE ITXXSNKTMV VSGAAGACGS VAGQIGHFLG CSRVVGICGT HEKCILLTSE DATA SEQUENCE LGFDAAINYK KDNVAEQLRE SCPAGVDVYF DNVGGNISDT VISQMNENSH DATA SEQUENCE IILCGQISQY NKDVPYPPPL SPAIEAIQKE RNITRERFLV LNYKDKFEPG DATA SEQUENCE ILQLSQWFKE GKLKIKETVI NGLENMGAAF QSMMTGGNIG KQIVCISEEI 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 0 M HA 0.000 nan 4.480 nan 0.000 0.227 0 M C 0.000 176.413 176.300 0.189 0.000 1.140 0 M CA 0.000 55.332 55.300 0.054 0.000 0.988 0 M CB 0.000 32.597 32.600 -0.004 0.000 1.302 1 M N 2.102 121.797 119.600 0.159 0.000 2.291 1 M HA 0.717 5.188 4.480 -0.015 0.000 0.324 1 M C -1.391 174.997 176.300 0.145 0.000 1.148 1 M CA -0.249 55.133 55.300 0.137 0.000 1.104 1 M CB 1.061 33.704 32.600 0.072 0.000 1.483 1 M HN 0.688 nan 8.290 nan 0.000 0.467 2 I N 3.093 123.685 120.570 0.038 0.000 2.359 2 I HA 0.481 4.642 4.170 -0.015 0.000 0.294 2 I C -0.212 175.876 176.117 -0.048 0.000 0.987 2 I CA -0.870 60.374 61.300 -0.092 0.000 1.225 2 I CB 1.667 39.546 38.000 -0.201 0.000 1.366 2 I HN 0.693 nan 8.210 nan 0.000 0.466 3 V N 2.842 122.728 119.914 -0.047 0.000 3.126 3 V HA 0.631 4.742 4.120 -0.015 0.000 0.314 3 V C -0.839 175.238 176.094 -0.028 0.000 1.138 3 V CA -0.828 61.461 62.300 -0.018 0.000 1.034 3 V CB 1.848 33.679 31.823 0.015 0.000 1.075 3 V HN 0.641 nan 8.190 nan 0.000 0.442 4 Q N 1.425 121.219 119.800 -0.009 0.000 2.235 4 Q HA 0.762 5.093 4.340 -0.015 0.000 0.256 4 Q C -0.319 175.694 176.000 0.022 0.000 0.951 4 Q CA -0.476 55.324 55.803 -0.005 0.000 0.890 4 Q CB 1.823 30.556 28.738 -0.009 0.000 1.279 4 Q HN 0.932 nan 8.270 nan 0.000 0.444 5 R N -0.997 119.519 120.500 0.027 0.000 2.799 5 R HA 0.847 5.178 4.340 -0.015 0.000 0.270 5 R C -1.452 174.888 176.300 0.066 0.000 1.010 5 R CA -0.948 55.187 56.100 0.058 0.000 0.916 5 R CB 0.977 31.304 30.300 0.044 0.000 1.228 5 R HN 0.336 nan 8.270 nan 0.000 0.469 6 V N 2.036 122.018 119.914 0.113 0.000 2.459 6 V HA 0.511 4.622 4.120 -0.015 0.000 0.295 6 V C 0.105 176.221 176.094 0.037 0.000 1.029 6 V CA -0.670 61.708 62.300 0.130 0.000 0.874 6 V CB 1.396 33.388 31.823 0.280 0.000 0.985 6 V HN 0.668 nan 8.190 nan 0.000 0.438 7 V N 3.082 123.005 119.914 0.015 0.000 3.019 7 V HA 0.725 4.836 4.120 -0.015 0.000 0.317 7 V C -0.509 175.537 176.094 -0.081 0.000 1.094 7 V CA -1.191 61.064 62.300 -0.076 0.000 1.000 7 V CB 1.936 33.724 31.823 -0.058 0.000 1.060 7 V HN 0.672 nan 8.190 nan 0.000 0.443 8 L N 2.805 123.915 121.223 -0.189 0.000 2.369 8 L HA 0.401 4.732 4.340 -0.015 0.000 0.279 8 L C 1.079 177.852 176.870 -0.162 0.000 1.108 8 L CA 0.658 55.351 54.840 -0.244 0.000 0.852 8 L CB 0.140 42.060 42.059 -0.232 0.000 1.169 8 L HN 0.943 nan 8.230 nan 0.000 0.452 9 N N 1.586 120.184 118.700 -0.170 0.000 2.251 9 N HA 0.020 4.751 4.740 -0.015 0.000 0.181 9 N C -0.407 175.045 175.510 -0.096 0.000 1.019 9 N CA 0.955 53.947 53.050 -0.096 0.000 0.862 9 N CB 0.406 38.859 38.487 -0.056 0.000 0.992 9 N HN 0.750 nan 8.380 nan 0.000 0.429 10 S N -1.633 113.985 115.700 -0.137 0.000 2.588 10 S HA 0.529 4.990 4.470 -0.015 0.000 0.269 10 S C -1.206 173.324 174.600 -0.118 0.000 1.157 10 S CA -1.123 57.020 58.200 -0.096 0.000 0.824 10 S CB 1.976 65.140 63.200 -0.061 0.000 1.126 10 S HN 0.125 nan 8.310 nan 0.000 0.464 11 R N 0.986 121.444 120.500 -0.071 0.000 2.474 11 R HA 0.493 4.824 4.340 -0.015 0.000 0.295 11 R C -1.753 174.532 176.300 -0.026 0.000 0.980 11 R CA -2.094 53.973 56.100 -0.055 0.000 0.934 11 R CB 0.854 31.132 30.300 -0.036 0.000 1.101 11 R HN 0.550 nan 8.270 nan 0.000 0.469 12 P HA 0.041 nan 4.420 nan 0.000 0.236 12 P C 0.162 177.478 177.300 0.025 0.000 1.177 12 P CA 0.488 63.603 63.100 0.025 0.000 0.773 12 P CB 0.497 32.235 31.700 0.063 0.000 0.878 13 G N 1.113 109.922 108.800 0.016 0.000 2.692 13 G HA2 -0.196 3.755 3.960 -0.015 0.000 0.686 13 G HA3 -0.196 3.755 3.960 -0.015 0.000 0.686 13 G C 0.441 175.355 174.900 0.025 0.000 1.243 13 G CA -0.277 44.832 45.100 0.016 0.000 0.782 13 G HN 0.078 nan 8.290 nan 0.000 0.625 14 K N 0.207 120.619 120.400 0.019 0.000 2.152 14 K HA -0.078 4.233 4.320 -0.015 0.000 0.206 14 K C 1.603 178.228 176.600 0.042 0.000 1.048 14 K CA 1.535 57.837 56.287 0.025 0.000 0.933 14 K CB -0.048 32.463 32.500 0.018 0.000 0.721 14 K HN 0.440 nan 8.250 nan 0.000 0.447 15 N N 0.476 119.200 118.700 0.040 0.000 2.235 15 N HA 0.040 4.771 4.740 -0.015 0.000 0.209 15 N C 0.225 175.766 175.510 0.051 0.000 1.122 15 N CA 0.111 53.189 53.050 0.047 0.000 0.845 15 N CB 1.049 39.559 38.487 0.038 0.000 1.004 15 N HN 0.105 nan 8.380 nan 0.000 0.499 16 G N 0.202 109.035 108.800 0.055 0.000 2.462 16 G HA2 0.284 4.235 3.960 -0.015 0.000 0.319 16 G HA3 0.284 4.235 3.960 -0.015 0.000 0.319 16 G C -0.125 174.821 174.900 0.078 0.000 1.171 16 G CA -0.386 44.749 45.100 0.058 0.000 0.920 16 G HN 0.024 nan 8.290 nan 0.000 0.499 17 N N 1.215 119.961 118.700 0.077 0.000 2.479 17 N HA 0.402 5.133 4.740 -0.015 0.000 0.285 17 N C -2.290 173.292 175.510 0.120 0.000 1.075 17 N CA -1.256 51.849 53.050 0.091 0.000 0.967 17 N CB 1.702 40.232 38.487 0.072 0.000 1.137 17 N HN 0.256 nan 8.380 nan 0.000 0.472 18 P HA 0.195 nan 4.420 nan 0.000 0.278 18 P C -0.661 176.781 177.300 0.237 0.000 1.238 18 P CA -0.405 62.851 63.100 0.260 0.000 0.794 18 P CB 1.004 32.998 31.700 0.489 0.000 0.955 19 V N -1.935 118.129 119.914 0.250 0.000 3.130 19 V HA 0.706 4.817 4.120 -0.015 0.000 0.310 19 V C 1.335 177.615 176.094 0.310 0.000 1.158 19 V CA -0.413 62.019 62.300 0.220 0.000 1.029 19 V CB 0.925 32.829 31.823 0.134 0.000 1.057 19 V HN 0.504 nan 8.190 nan 0.000 0.436 20 A N 0.088 123.069 122.820 0.267 0.000 1.948 20 A HA -0.129 4.182 4.320 -0.015 0.000 0.220 20 A C 1.616 179.380 177.584 0.300 0.000 1.177 20 A CA 2.272 54.492 52.037 0.305 0.000 0.636 20 A CB -0.780 18.328 19.000 0.179 0.000 0.815 20 A HN 1.049 nan 8.150 nan 0.000 0.449 21 E N 0.247 120.556 120.200 0.181 0.000 2.472 21 E HA -0.080 4.261 4.350 -0.015 0.000 0.200 21 E C 1.271 177.908 176.600 0.061 0.000 1.046 21 E CA 0.829 57.297 56.400 0.115 0.000 0.871 21 E CB -0.533 29.211 29.700 0.073 0.000 0.806 21 E HN 0.811 nan 8.360 nan 0.000 0.533 22 N N -0.683 118.035 118.700 0.029 0.000 2.512 22 N HA -0.003 4.728 4.740 -0.015 0.000 0.183 22 N C -0.504 174.719 175.510 -0.478 0.000 1.073 22 N CA 0.243 53.158 53.050 -0.226 0.000 0.911 22 N CB 0.145 38.429 38.487 -0.338 0.000 0.964 22 N HN 0.045 nan 8.380 nan 0.000 0.447 23 F N -0.121 119.856 119.950 0.044 0.000 2.561 23 F HA 0.496 5.014 4.527 -0.015 0.000 0.321 23 F C 0.254 176.065 175.800 0.019 0.000 1.065 23 F CA -1.161 56.848 58.000 0.016 0.000 0.934 23 F CB 1.606 40.644 39.000 0.063 0.000 1.215 23 F HN -0.291 nan 8.300 nan 0.000 0.471 24 R N 2.683 123.295 120.500 0.186 0.000 2.621 24 R HA 0.615 4.946 4.340 -0.015 0.000 0.284 24 R C -1.653 174.699 176.300 0.087 0.000 0.998 24 R CA -0.728 55.433 56.100 0.101 0.000 0.895 24 R CB 1.970 32.297 30.300 0.043 0.000 1.195 24 R HN 0.900 nan 8.270 nan 0.000 0.450 25 M N 3.010 122.649 119.600 0.065 0.000 2.277 25 M HA 0.322 4.793 4.480 -0.015 0.000 0.350 25 M C -1.013 175.299 176.300 0.020 0.000 1.180 25 M CA 0.322 55.648 55.300 0.043 0.000 1.103 25 M CB 1.181 33.799 32.600 0.030 0.000 1.577 25 M HN 0.670 nan 8.290 nan 0.000 0.459 26 E N 2.135 122.341 120.200 0.010 0.000 2.393 26 E HA 0.372 4.713 4.350 -0.015 0.000 0.273 26 E C -1.573 175.013 176.600 -0.023 0.000 0.918 26 E CA -0.885 55.510 56.400 -0.008 0.000 0.773 26 E CB 2.228 31.923 29.700 -0.009 0.000 1.275 26 E HN 0.601 nan 8.360 nan 0.000 0.451 27 E N 1.064 121.235 120.200 -0.048 0.000 2.179 27 E HA 0.457 4.798 4.350 -0.015 0.000 0.275 27 E C -0.888 175.646 176.600 -0.109 0.000 0.945 27 E CA -0.750 55.601 56.400 -0.081 0.000 0.792 27 E CB 2.100 31.735 29.700 -0.108 0.000 1.125 27 E HN 0.267 nan 8.360 nan 0.000 0.397 28 V N -0.257 119.590 119.914 -0.112 0.000 3.040 28 V HA 0.472 4.583 4.120 -0.015 0.000 0.312 28 V C -0.973 175.044 176.094 -0.129 0.000 1.115 28 V CA -1.093 61.147 62.300 -0.099 0.000 0.998 28 V CB 0.907 32.723 31.823 -0.011 0.000 1.042 28 V HN 0.584 nan 8.190 nan 0.000 0.433 29 Y N 1.653 121.956 120.300 0.005 0.000 2.346 29 Y HA 0.555 5.096 4.550 -0.015 0.000 0.330 29 Y C 0.155 176.057 175.900 0.004 0.000 1.178 29 Y CA -0.101 58.001 58.100 0.004 0.000 1.331 29 Y CB 1.603 40.064 38.460 0.002 0.000 1.253 29 Y HN 0.666 nan 8.280 nan 0.000 0.529 30 L N 7.093 128.430 121.223 0.190 0.000 2.272 30 L HA 0.525 4.856 4.340 -0.015 0.000 0.289 30 L C -2.547 174.378 176.870 0.092 0.000 1.032 30 L CA -2.161 52.743 54.840 0.107 0.000 0.810 30 L CB 0.685 42.789 42.059 0.075 0.000 1.205 30 L HN 0.356 nan 8.230 nan 0.000 0.422 31 P HA 0.038 nan 4.420 nan 0.000 0.266 31 P C -0.427 176.884 177.300 0.018 0.000 1.193 31 P CA 0.112 63.227 63.100 0.025 0.000 0.770 31 P CB 0.579 32.287 31.700 0.013 0.000 0.836 32 D N 0.241 120.643 120.400 0.004 0.000 2.323 32 D HA 0.018 4.649 4.640 -0.015 0.000 0.209 32 D C 0.088 176.388 176.300 0.001 0.000 0.973 32 D CA 1.213 55.215 54.000 0.003 0.000 0.874 32 D CB 0.163 40.959 40.800 -0.007 0.000 0.930 32 D HN 0.315 nan 8.370 nan 0.000 0.521 33 N N 0.088 118.787 118.700 -0.002 0.000 2.265 33 N HA 0.415 5.146 4.740 -0.015 0.000 0.300 33 N C -0.343 175.167 175.510 -0.001 0.000 1.148 33 N CA -0.573 52.476 53.050 -0.002 0.000 0.772 33 N CB 2.568 41.051 38.487 -0.006 0.000 1.434 33 N HN -0.036 nan 8.380 nan 0.000 0.481 34 I N -1.565 119.005 120.570 0.000 0.000 2.797 34 I HA 0.634 4.795 4.170 -0.015 0.000 0.307 34 I C -0.491 175.627 176.117 0.001 0.000 1.033 34 I CA -0.880 60.420 61.300 0.000 0.000 1.071 34 I CB 1.849 39.850 38.000 0.002 0.000 1.255 34 I HN 0.112 nan 8.210 nan 0.000 0.445 35 N N 1.778 120.479 118.700 0.002 0.000 2.476 35 N HA 0.320 5.051 4.740 -0.015 0.000 0.276 35 N C -0.209 175.305 175.510 0.007 0.000 1.204 35 N CA -0.298 52.754 53.050 0.002 0.000 0.974 35 N CB 0.712 39.199 38.487 -0.000 0.000 1.204 35 N HN 0.836 nan 8.380 nan 0.000 0.543 36 E N -0.608 119.594 120.200 0.002 0.000 2.529 36 E HA 0.344 4.685 4.350 -0.015 0.000 0.259 36 E C 1.248 177.855 176.600 0.012 0.000 0.966 36 E CA 0.325 56.724 56.400 -0.000 0.000 0.937 36 E CB -0.923 28.769 29.700 -0.013 0.000 0.923 36 E HN 0.814 nan 8.360 nan 0.000 0.468 37 G N 1.697 110.513 108.800 0.026 0.000 2.199 37 G HA2 -0.256 3.695 3.960 -0.015 0.000 0.254 37 G HA3 -0.256 3.695 3.960 -0.015 0.000 0.254 37 G C 0.535 175.529 174.900 0.157 0.000 0.982 37 G CA 0.581 45.737 45.100 0.095 0.000 0.632 37 G HN 0.803 nan 8.290 nan 0.000 0.529 38 Q N -0.336 119.511 119.800 0.078 0.000 2.193 38 Q HA 0.697 5.028 4.340 -0.015 0.000 0.246 38 Q C 0.086 176.106 176.000 0.033 0.000 0.959 38 Q CA -0.328 55.498 55.803 0.039 0.000 0.904 38 Q CB 2.649 31.393 28.738 0.010 0.000 1.238 38 Q HN 0.880 nan 8.270 nan 0.000 0.469 39 V N -2.010 117.898 119.914 -0.010 0.000 2.925 39 V HA 0.487 4.598 4.120 -0.015 0.000 0.311 39 V C -1.180 174.893 176.094 -0.034 0.000 1.104 39 V CA -1.042 61.247 62.300 -0.018 0.000 0.954 39 V CB 1.820 33.619 31.823 -0.040 0.000 1.022 39 V HN 0.819 nan 8.190 nan 0.000 0.427 40 Q N 1.916 121.705 119.800 -0.017 0.000 2.290 40 Q HA 0.748 5.079 4.340 -0.015 0.000 0.259 40 Q C -1.551 174.450 176.000 0.002 0.000 0.941 40 Q CA -0.558 55.238 55.803 -0.012 0.000 0.912 40 Q CB 1.979 30.719 28.738 0.002 0.000 1.244 40 Q HN 0.847 nan 8.270 nan 0.000 0.441 41 V N 3.819 123.743 119.914 0.017 0.000 2.680 41 V HA 0.517 4.628 4.120 -0.015 0.000 0.309 41 V C -0.435 175.755 176.094 0.160 0.000 1.052 41 V CA -0.988 61.367 62.300 0.092 0.000 0.908 41 V CB 1.768 33.651 31.823 0.100 0.000 1.001 41 V HN 0.779 nan 8.190 nan 0.000 0.431 42 R N 1.787 122.388 120.500 0.168 0.000 2.229 42 R HA 0.426 4.757 4.340 -0.015 0.000 0.328 42 R C -0.388 176.039 176.300 0.212 0.000 1.009 42 R CA -0.299 55.890 56.100 0.150 0.000 0.864 42 R CB 0.969 31.311 30.300 0.071 0.000 1.085 42 R HN 0.850 nan 8.270 nan 0.000 0.453 43 T N 5.941 120.629 114.554 0.223 0.000 2.834 43 T HA 0.115 4.456 4.350 -0.015 0.000 0.298 43 T C 1.291 175.915 174.700 -0.125 0.000 0.966 43 T CA -0.083 62.067 62.100 0.083 0.000 1.141 43 T CB 0.826 69.778 68.868 0.140 0.000 0.905 43 T HN 0.565 nan 8.240 nan 0.000 0.535 44 L N 1.739 122.809 121.223 -0.254 0.000 2.435 44 L HA 0.340 4.671 4.340 -0.015 0.000 0.195 44 L C -0.351 176.078 176.870 -0.734 0.000 1.072 44 L CA 0.333 54.933 54.840 -0.400 0.000 0.833 44 L CB 0.269 42.202 42.059 -0.210 0.000 1.081 44 L HN 0.576 nan 8.230 nan 0.000 0.485 45 Y N -0.514 119.632 120.300 -0.255 0.000 2.524 45 Y HA 0.631 5.173 4.550 -0.015 0.000 0.347 45 Y C -0.611 175.094 175.900 -0.326 0.000 1.005 45 Y CA -0.745 57.211 58.100 -0.241 0.000 1.025 45 Y CB 1.889 40.246 38.460 -0.171 0.000 1.275 45 Y HN -0.207 nan 8.280 nan 0.000 0.460 46 L N 1.353 122.501 121.223 -0.125 0.000 2.370 46 L HA 0.612 4.943 4.340 -0.015 0.000 0.266 46 L C -0.192 176.609 176.870 -0.115 0.000 1.002 46 L CA -0.896 53.822 54.840 -0.204 0.000 0.818 46 L CB 2.339 44.148 42.059 -0.418 0.000 1.325 46 L HN 0.608 nan 8.230 nan 0.000 0.418 47 S N 1.146 116.832 115.700 -0.025 0.000 2.610 47 S HA 0.699 5.160 4.470 -0.015 0.000 0.273 47 S C -0.626 174.024 174.600 0.082 0.000 1.274 47 S CA -0.618 57.621 58.200 0.064 0.000 1.023 47 S CB 1.301 64.598 63.200 0.161 0.000 0.962 47 S HN 0.411 nan 8.310 nan 0.000 0.523 48 V N 1.385 121.382 119.914 0.138 0.000 2.680 48 V HA 0.764 4.875 4.120 -0.015 0.000 0.309 48 V C -1.094 175.200 176.094 0.334 0.000 1.052 48 V CA -0.754 61.715 62.300 0.282 0.000 0.908 48 V CB 1.891 33.892 31.823 0.297 0.000 1.001 48 V HN 0.853 nan 8.190 nan 0.000 0.431 49 D N 3.675 124.333 120.400 0.430 0.000 2.857 49 D HA 0.385 5.016 4.640 -0.015 0.000 0.227 49 D C -2.398 174.185 176.300 0.471 0.000 1.192 49 D CA -1.107 53.153 54.000 0.434 0.000 0.857 49 D CB 3.052 44.209 40.800 0.595 0.000 1.645 49 D HN 0.232 nan 8.370 nan 0.000 0.482 50 P HA -0.188 nan 4.420 nan 0.000 0.216 50 P C 1.510 179.073 177.300 0.438 0.000 1.150 50 P CA 1.310 64.693 63.100 0.472 0.000 0.843 50 P CB -0.165 31.812 31.700 0.462 0.000 0.787 51 Y N -1.914 118.503 120.300 0.195 0.000 2.315 51 Y HA -0.139 4.402 4.550 -0.015 0.000 0.288 51 Y C 1.955 177.788 175.900 -0.111 0.000 1.154 51 Y CA 0.851 58.919 58.100 -0.053 0.000 1.229 51 Y CB -1.506 36.938 38.460 -0.026 0.000 0.980 51 Y HN -0.129 nan 8.280 nan 0.000 0.540 52 M N 0.311 119.570 119.600 -0.568 0.000 2.358 52 M HA -0.142 4.329 4.480 -0.015 0.000 0.264 52 M C 2.245 178.289 176.300 -0.427 0.000 1.064 52 M CA 1.569 56.422 55.300 -0.745 0.000 1.093 52 M CB -0.238 32.078 32.600 -0.473 0.000 1.401 52 M HN 0.228 nan 8.290 nan 0.000 0.440 53 R N 1.240 121.776 120.500 0.060 0.000 2.091 53 R HA -0.178 4.153 4.340 -0.015 0.000 0.238 53 R C 2.337 178.589 176.300 -0.080 0.000 1.136 53 R CA 2.400 58.613 56.100 0.188 0.000 0.959 53 R CB -1.302 29.203 30.300 0.341 0.000 0.856 53 R HN 0.673 nan 8.270 nan 0.000 0.437 54 C N -0.223 118.945 119.300 -0.219 0.000 2.432 54 C HA 0.170 4.621 4.460 -0.015 0.000 0.282 54 C C 2.096 176.895 174.990 -0.318 0.000 1.388 54 C CA 0.174 59.047 59.018 -0.242 0.000 1.777 54 C CB -0.881 26.690 27.740 -0.281 0.000 1.882 54 C HN 0.401 nan 8.230 nan 0.000 0.520 55 R N 0.575 120.751 120.500 -0.541 0.000 2.235 55 R HA 0.110 4.441 4.340 -0.015 0.000 0.213 55 R C 2.018 178.018 176.300 -0.501 0.000 1.059 55 R CA 1.165 56.797 56.100 -0.780 0.000 0.997 55 R CB -0.288 28.994 30.300 -1.698 0.000 0.884 55 R HN 0.621 nan 8.270 nan 0.000 0.462 56 M N 0.229 119.660 119.600 -0.282 0.000 2.506 56 M HA 0.007 4.478 4.480 -0.015 0.000 0.260 56 M C -0.021 176.245 176.300 -0.056 0.000 1.104 56 M CA 0.491 55.759 55.300 -0.054 0.000 1.112 56 M CB 0.035 32.636 32.600 0.003 0.000 1.401 56 M HN -0.036 nan 8.290 nan 0.000 0.473 57 N N 0.990 119.639 118.700 -0.086 0.000 2.515 57 N HA 0.061 4.792 4.740 -0.015 0.000 0.279 57 N C 0.543 176.014 175.510 -0.065 0.000 1.164 57 N CA -0.060 52.953 53.050 -0.061 0.000 0.982 57 N CB 0.769 39.219 38.487 -0.061 0.000 1.170 57 N HN 0.170 nan 8.380 nan 0.000 0.474 58 E N -0.230 119.944 120.200 -0.044 0.000 2.118 58 E HA -0.165 4.176 4.350 -0.015 0.000 0.195 58 E C -0.361 176.209 176.600 -0.050 0.000 0.992 58 E CA 1.125 57.501 56.400 -0.040 0.000 0.804 58 E CB 0.151 29.835 29.700 -0.028 0.000 0.741 58 E HN 0.467 nan 8.360 nan 0.000 0.458 59 D N -0.817 119.551 120.400 -0.055 0.000 2.492 59 D HA 0.035 4.666 4.640 -0.015 0.000 0.248 59 D C 0.665 176.914 176.300 -0.085 0.000 1.101 59 D CA -0.230 53.733 54.000 -0.062 0.000 0.840 59 D CB 1.581 42.355 40.800 -0.044 0.000 1.209 59 D HN -0.073 nan 8.370 nan 0.000 0.524 60 T N 0.858 115.343 114.554 -0.116 0.000 2.995 60 T HA 0.154 4.495 4.350 -0.015 0.000 0.269 60 T C 1.612 176.230 174.700 -0.137 0.000 1.091 60 T CA 0.846 62.853 62.100 -0.156 0.000 1.128 60 T CB -0.256 68.490 68.868 -0.204 0.000 0.891 60 T HN 0.792 nan 8.240 nan 0.000 0.492 61 G N 0.467 109.205 108.800 -0.103 0.000 2.162 61 G HA2 -0.204 3.747 3.960 -0.015 0.000 0.260 61 G HA3 -0.204 3.747 3.960 -0.015 0.000 0.260 61 G C 0.172 175.015 174.900 -0.095 0.000 0.976 61 G CA 0.337 45.393 45.100 -0.073 0.000 0.655 61 G HN 0.858 nan 8.290 nan 0.000 0.533 62 T N 0.124 114.572 114.554 -0.176 0.000 2.921 62 T HA 0.482 4.823 4.350 -0.015 0.000 0.297 62 T C 0.214 174.742 174.700 -0.286 0.000 1.013 62 T CA -0.352 61.578 62.100 -0.283 0.000 0.990 62 T CB 1.670 70.203 68.868 -0.558 0.000 1.023 62 T HN -0.037 nan 8.240 nan 0.000 0.447 63 D N 1.117 121.416 120.400 -0.169 0.000 2.350 63 D HA -0.034 4.597 4.640 -0.015 0.000 0.216 63 D C 1.302 177.609 176.300 0.011 0.000 0.968 63 D CA 1.134 55.108 54.000 -0.043 0.000 0.894 63 D CB 0.069 40.899 40.800 0.050 0.000 0.909 63 D HN 0.797 nan 8.370 nan 0.000 0.520 64 Y N -1.128 119.182 120.300 0.018 0.000 2.467 64 Y HA 0.432 4.972 4.550 -0.016 0.000 0.250 64 Y C 0.294 176.236 175.900 0.069 0.000 1.155 64 Y CA -0.702 57.421 58.100 0.038 0.000 1.249 64 Y CB -0.075 38.406 38.460 0.034 0.000 1.146 64 Y HN -0.236 nan 8.280 nan 0.000 0.524 65 I N 2.567 123.049 120.570 -0.147 0.000 2.389 65 I HA 0.289 4.450 4.170 -0.015 0.000 0.288 65 I C -0.204 175.858 176.117 -0.091 0.000 0.999 65 I CA -1.089 60.175 61.300 -0.060 0.000 1.129 65 I CB 1.998 39.896 38.000 -0.171 0.000 1.288 65 I HN 0.178 nan 8.210 nan 0.000 0.444 66 T N 3.811 118.333 114.554 -0.054 0.000 2.882 66 T HA 0.486 4.827 4.350 -0.015 0.000 0.287 66 T C -2.521 172.084 174.700 -0.158 0.000 0.992 66 T CA -1.984 60.067 62.100 -0.083 0.000 1.076 66 T CB 1.315 70.156 68.868 -0.046 0.000 0.961 66 T HN 0.258 nan 8.240 nan 0.000 0.490 67 P HA 0.133 nan 4.420 nan 0.000 0.275 67 P C -0.235 177.035 177.300 -0.050 0.000 1.227 67 P CA -0.595 62.410 63.100 -0.159 0.000 0.781 67 P CB 0.439 32.084 31.700 -0.092 0.000 0.906 68 W N 2.056 123.276 121.300 -0.133 0.000 2.170 68 W HA 0.110 4.761 4.660 -0.014 0.000 0.342 68 W C 0.736 177.179 176.519 -0.128 0.000 1.294 68 W CA 0.395 57.648 57.345 -0.152 0.000 1.246 68 W CB -0.478 28.858 29.460 -0.207 0.000 1.156 68 W HN 0.338 nan 8.180 nan 0.000 0.572 69 Q N 2.146 122.015 119.800 0.115 0.000 2.274 69 Q HA 0.402 4.733 4.340 -0.015 0.000 0.260 69 Q C -0.123 175.868 176.000 -0.016 0.000 0.974 69 Q CA -1.147 54.672 55.803 0.027 0.000 0.876 69 Q CB 1.844 30.587 28.738 0.008 0.000 1.297 69 Q HN 0.350 nan 8.270 nan 0.000 0.446 70 L N 1.379 122.586 121.223 -0.026 0.000 2.490 70 L HA -0.055 4.276 4.340 -0.015 0.000 0.274 70 L C 0.780 177.621 176.870 -0.048 0.000 1.201 70 L CA 0.464 55.276 54.840 -0.046 0.000 0.869 70 L CB 0.081 42.117 42.059 -0.039 0.000 1.123 70 L HN 0.829 nan 8.230 nan 0.000 0.484 71 S N 0.394 116.058 115.700 -0.060 0.000 3.127 71 S HA -0.228 4.233 4.470 -0.015 0.000 0.281 71 S C 0.140 174.708 174.600 -0.054 0.000 1.293 71 S CA 0.981 59.151 58.200 -0.050 0.000 1.156 71 S CB -1.174 62.007 63.200 -0.033 0.000 1.389 71 S HN 0.780 nan 8.310 nan 0.000 0.672 72 Q N 0.033 119.789 119.800 -0.073 0.000 2.257 72 Q HA 0.639 4.970 4.340 -0.015 0.000 0.262 72 Q C 0.147 176.065 176.000 -0.137 0.000 0.997 72 Q CA -0.626 55.130 55.803 -0.079 0.000 0.873 72 Q CB 2.077 30.778 28.738 -0.061 0.000 1.312 72 Q HN 0.224 nan 8.270 nan 0.000 0.450 73 V N 2.668 122.508 119.914 -0.122 0.000 2.694 73 V HA 0.039 4.150 4.120 -0.015 0.000 0.306 73 V C -0.018 175.869 176.094 -0.345 0.000 1.054 73 V CA 0.073 62.275 62.300 -0.164 0.000 1.161 73 V CB 0.598 32.375 31.823 -0.078 0.000 0.916 73 V HN 0.581 nan 8.190 nan 0.000 0.490 74 V N 4.612 124.165 119.914 -0.602 0.000 3.134 74 V HA 0.806 4.917 4.120 -0.015 0.000 0.313 74 V C -0.385 175.089 176.094 -1.033 0.000 1.069 74 V CA -0.504 61.047 62.300 -1.248 0.000 1.048 74 V CB 1.765 32.270 31.823 -2.197 0.000 1.119 74 V HN 0.996 nan 8.190 nan 0.000 0.461 75 D N -0.332 119.521 120.400 -0.911 0.000 2.602 75 D HA 0.778 5.409 4.640 -0.015 0.000 0.236 75 D C -0.246 176.124 176.300 0.116 0.000 1.209 75 D CA 0.197 54.066 54.000 -0.219 0.000 0.831 75 D CB 1.662 42.536 40.800 0.123 0.000 1.478 75 D HN 1.283 nan 8.370 nan 0.000 0.438 76 G N -1.240 107.805 108.800 0.408 0.000 2.341 76 G HA2 0.546 4.497 3.960 -0.015 0.000 0.299 76 G HA3 0.546 4.497 3.960 -0.015 0.000 0.299 76 G C -0.475 174.610 174.900 0.309 0.000 1.274 76 G CA -0.352 44.959 45.100 0.352 0.000 0.853 76 G HN 0.651 nan 8.290 nan 0.000 0.493 77 G N -0.968 107.961 108.800 0.216 0.000 2.353 77 G HA2 0.602 4.553 3.960 -0.015 0.000 0.239 77 G HA3 0.602 4.553 3.960 -0.015 0.000 0.239 77 G C 0.382 175.398 174.900 0.193 0.000 1.295 77 G CA 0.957 46.203 45.100 0.244 0.000 0.884 77 G HN 1.549 nan 8.290 nan 0.000 0.537 78 G N 0.014 108.908 108.800 0.157 0.000 2.692 78 G HA2 0.589 4.540 3.960 -0.015 0.000 0.291 78 G HA3 0.589 4.540 3.960 -0.015 0.000 0.291 78 G C -1.560 173.079 174.900 -0.435 0.000 1.423 78 G CA -0.697 44.238 45.100 -0.274 0.000 0.843 78 G HN 0.934 nan 8.290 nan 0.000 0.486 79 I N 0.094 120.238 120.570 -0.710 0.000 2.686 79 I HA 0.837 4.998 4.170 -0.015 0.000 0.295 79 I C 0.058 175.837 176.117 -0.563 0.000 1.114 79 I CA -0.461 60.567 61.300 -0.454 0.000 1.038 79 I CB 2.178 40.164 38.000 -0.024 0.000 1.238 79 I HN 0.968 nan 8.210 nan 0.000 0.420 80 G N 6.271 114.974 108.800 -0.162 0.000 2.645 80 G HA2 0.539 4.490 3.960 -0.015 0.000 0.292 80 G HA3 0.539 4.490 3.960 -0.015 0.000 0.292 80 G C -2.194 172.895 174.900 0.315 0.000 1.415 80 G CA -0.634 44.544 45.100 0.130 0.000 0.785 80 G HN 0.682 nan 8.290 nan 0.000 0.483 81 I N 0.503 121.198 120.570 0.208 0.000 2.465 81 I HA 0.457 4.618 4.170 -0.015 0.000 0.291 81 I C -0.471 175.649 176.117 0.006 0.000 1.014 81 I CA -1.272 60.022 61.300 -0.011 0.000 1.093 81 I CB 1.351 39.251 38.000 -0.166 0.000 1.267 81 I HN 0.227 nan 8.210 nan 0.000 0.431 82 I N 7.109 127.645 120.570 -0.057 0.000 2.533 82 I HA 0.065 4.226 4.170 -0.015 0.000 0.284 82 I C 1.046 177.137 176.117 -0.043 0.000 1.109 82 I CA 0.633 61.917 61.300 -0.028 0.000 1.412 82 I CB 0.787 38.762 38.000 -0.041 0.000 1.396 82 I HN 0.766 nan 8.210 nan 0.000 0.543 83 E N 3.914 124.106 120.200 -0.013 0.000 2.251 83 E HA 0.072 4.413 4.350 -0.015 0.000 0.194 83 E C 0.368 176.963 176.600 -0.009 0.000 0.964 83 E CA 0.334 56.727 56.400 -0.012 0.000 0.868 83 E CB 0.795 30.498 29.700 0.005 0.000 0.828 83 E HN 0.626 nan 8.360 nan 0.000 0.481 84 E N 0.212 120.409 120.200 -0.005 0.000 2.352 84 E HA 0.306 4.647 4.350 -0.015 0.000 0.280 84 E C -1.790 174.813 176.600 0.004 0.000 0.930 84 E CA -0.394 56.006 56.400 -0.001 0.000 0.765 84 E CB 2.182 31.884 29.700 0.002 0.000 1.219 84 E HN -0.056 nan 8.360 nan 0.000 0.434 85 S N 2.713 118.420 115.700 0.012 0.000 2.571 85 S HA 0.443 4.904 4.470 -0.015 0.000 0.284 85 S C -0.803 173.818 174.600 0.036 0.000 1.128 85 S CA -0.597 57.620 58.200 0.029 0.000 0.970 85 S CB 1.022 64.245 63.200 0.038 0.000 1.039 85 S HN 0.495 nan 8.310 nan 0.000 0.485 86 K N 2.777 123.207 120.400 0.050 0.000 2.758 86 K HA 0.181 4.492 4.320 -0.015 0.000 0.208 86 K C -0.453 176.184 176.600 0.062 0.000 1.091 86 K CA -0.410 55.901 56.287 0.039 0.000 1.059 86 K CB 0.309 32.821 32.500 0.021 0.000 0.801 86 K HN 0.602 nan 8.250 nan 0.000 0.470 87 H N 0.850 119.915 119.070 -0.008 0.000 2.469 87 H HA 0.078 4.625 4.556 -0.015 0.000 0.342 87 H C 0.899 176.225 175.328 -0.002 0.000 1.115 87 H CA 0.080 56.125 56.048 -0.005 0.000 1.204 87 H CB 1.794 31.552 29.762 -0.006 0.000 1.492 87 H HN 0.179 nan 8.280 nan 0.000 0.499 88 T N 0.599 115.032 114.554 -0.201 0.000 2.962 88 T HA -0.085 4.256 4.350 -0.015 0.000 0.270 88 T C 0.832 175.573 174.700 0.068 0.000 1.088 88 T CA 1.243 63.307 62.100 -0.060 0.000 1.127 88 T CB -0.056 68.741 68.868 -0.117 0.000 0.883 88 T HN 0.635 nan 8.240 nan 0.000 0.493 89 N N 0.226 119.075 118.700 0.248 0.000 2.236 89 N HA 0.380 5.111 4.740 -0.015 0.000 0.196 89 N C -0.591 175.019 175.510 0.166 0.000 1.114 89 N CA -0.170 53.009 53.050 0.215 0.000 0.859 89 N CB 0.335 38.967 38.487 0.241 0.000 0.982 89 N HN 0.346 nan 8.380 nan 0.000 0.493 90 L N 0.321 121.651 121.223 0.179 0.000 2.401 90 L HA 0.552 4.883 4.340 -0.015 0.000 0.266 90 L C -0.383 176.519 176.870 0.053 0.000 0.991 90 L CA -0.763 54.117 54.840 0.067 0.000 0.818 90 L CB 2.192 44.249 42.059 -0.004 0.000 1.321 90 L HN -0.011 nan 8.230 nan 0.000 0.413 91 T N -2.021 112.544 114.554 0.019 0.000 2.883 91 T HA 0.331 4.672 4.350 -0.015 0.000 0.301 91 T C -0.660 174.026 174.700 -0.023 0.000 1.158 91 T CA -1.044 61.060 62.100 0.006 0.000 1.007 91 T CB 1.903 70.776 68.868 0.009 0.000 1.186 91 T HN 0.514 nan 8.240 nan 0.000 0.499 92 K N 0.280 120.665 120.400 -0.025 0.000 2.504 92 K HA 0.262 4.573 4.320 -0.015 0.000 0.278 92 K C 1.439 177.991 176.600 -0.080 0.000 1.025 92 K CA 1.706 57.966 56.287 -0.046 0.000 1.093 92 K CB -0.728 31.754 32.500 -0.030 0.000 0.873 92 K HN 1.255 nan 8.250 nan 0.000 0.483 93 G N 3.163 111.877 108.800 -0.143 0.000 2.213 93 G HA2 -0.205 3.746 3.960 -0.015 0.000 0.236 93 G HA3 -0.205 3.746 3.960 -0.015 0.000 0.236 93 G C -0.391 174.268 174.900 -0.402 0.000 0.991 93 G CA 0.111 45.063 45.100 -0.246 0.000 0.629 93 G HN 0.726 nan 8.290 nan 0.000 0.517 94 D N 0.541 120.791 120.400 -0.249 0.000 2.414 94 D HA 0.476 5.107 4.640 -0.015 0.000 0.242 94 D C 0.368 176.482 176.300 -0.310 0.000 1.129 94 D CA 0.288 54.173 54.000 -0.192 0.000 0.885 94 D CB 0.315 41.085 40.800 -0.050 0.000 1.198 94 D HN 0.115 nan 8.370 nan 0.000 0.437 95 F N 0.762 120.749 119.950 0.061 0.000 2.394 95 F HA 0.370 4.888 4.527 -0.015 0.000 0.340 95 F C 0.703 176.534 175.800 0.052 0.000 1.105 95 F CA -0.722 57.320 58.000 0.070 0.000 1.124 95 F CB 1.136 40.181 39.000 0.074 0.000 1.145 95 F HN 0.006 nan 8.300 nan 0.000 0.505 96 V N -0.838 119.241 119.914 0.275 0.000 3.078 96 V HA 0.934 5.045 4.120 -0.015 0.000 0.311 96 V C -0.591 175.699 176.094 0.326 0.000 1.138 96 V CA -0.877 61.560 62.300 0.228 0.000 1.007 96 V CB 1.559 33.505 31.823 0.205 0.000 1.045 96 V HN 0.816 nan 8.190 nan 0.000 0.432 97 T N -0.856 113.862 114.554 0.274 0.000 2.916 97 T HA 0.850 5.191 4.350 -0.015 0.000 0.292 97 T C -0.429 174.517 174.700 0.410 0.000 1.055 97 T CA -0.347 61.952 62.100 0.333 0.000 1.009 97 T CB 1.732 70.673 68.868 0.121 0.000 1.118 97 T HN 1.591 nan 8.240 nan 0.000 0.497 98 S N 0.028 116.053 115.700 0.543 0.000 2.541 98 S HA 0.545 5.006 4.470 -0.015 0.000 0.271 98 S C -0.552 174.303 174.600 0.424 0.000 1.133 98 S CA -0.714 57.745 58.200 0.431 0.000 0.876 98 S CB 1.429 64.859 63.200 0.384 0.000 1.105 98 S HN 0.689 nan 8.310 nan 0.000 0.470 99 F N 2.764 122.758 119.950 0.073 0.000 2.615 99 F HA 0.387 4.905 4.527 -0.015 0.000 0.297 99 F C -0.156 175.519 175.800 -0.209 0.000 1.124 99 F CA 0.457 58.370 58.000 -0.146 0.000 1.451 99 F CB 0.145 38.882 39.000 -0.439 0.000 1.103 99 F HN 0.651 nan 8.300 nan 0.000 0.569 100 Y N -0.758 119.725 120.300 0.305 0.000 2.557 100 Y HA 0.164 4.704 4.550 -0.015 0.000 0.352 100 Y C -0.229 175.809 175.900 0.230 0.000 0.918 100 Y CA -1.408 56.812 58.100 0.201 0.000 1.232 100 Y CB -0.642 37.916 38.460 0.164 0.000 1.235 100 Y HN -0.010 nan 8.280 nan 0.000 0.596 101 W N 4.855 126.297 121.300 0.237 0.000 2.345 101 W HA 0.307 4.958 4.660 -0.015 0.000 0.308 101 W C -2.781 173.884 176.519 0.244 0.000 1.273 101 W CA -2.599 54.876 57.345 0.217 0.000 1.243 101 W CB 1.353 30.934 29.460 0.202 0.000 1.260 101 W HN 0.206 nan 8.180 nan 0.000 0.509 102 P HA -0.104 nan 4.420 nan 0.000 0.268 102 P C -0.548 177.067 177.300 0.525 0.000 1.205 102 P CA 0.411 63.676 63.100 0.275 0.000 0.771 102 P CB 0.295 32.054 31.700 0.098 0.000 0.858 103 W N 4.081 125.430 121.300 0.080 0.000 2.081 103 W HA 0.353 5.004 4.660 -0.016 0.000 0.433 103 W C 0.513 177.049 176.519 0.028 0.000 0.876 103 W CA 0.452 57.817 57.345 0.032 0.000 1.631 103 W CB -0.928 28.476 29.460 -0.094 0.000 1.757 103 W HN 0.353 nan 8.180 nan 0.000 0.298 104 Q N 0.239 120.205 119.800 0.276 0.000 2.386 104 Q HA 0.128 4.459 4.340 -0.015 0.000 0.274 104 Q C 1.018 177.116 176.000 0.163 0.000 1.011 104 Q CA -0.104 55.801 55.803 0.170 0.000 0.867 104 Q CB 1.599 30.422 28.738 0.141 0.000 1.409 104 Q HN 0.208 nan 8.270 nan 0.000 0.395 105 T N -0.032 114.578 114.554 0.093 0.000 2.857 105 T HA 0.146 4.487 4.350 -0.015 0.000 0.266 105 T C 0.182 174.944 174.700 0.104 0.000 1.048 105 T CA 0.822 62.963 62.100 0.069 0.000 1.139 105 T CB 0.099 68.979 68.868 0.021 0.000 0.874 105 T HN 0.407 nan 8.240 nan 0.000 0.455 106 K N 0.975 121.436 120.400 0.102 0.000 2.464 106 K HA 0.651 4.962 4.320 -0.015 0.000 0.253 106 K C -1.366 175.286 176.600 0.087 0.000 0.933 106 K CA -0.999 55.351 56.287 0.105 0.000 0.801 106 K CB 3.159 35.699 32.500 0.066 0.000 1.271 106 K HN 0.184 nan 8.250 nan 0.000 0.430 107 V N -0.718 119.236 119.914 0.067 0.000 3.007 107 V HA 0.640 4.751 4.120 -0.015 0.000 0.311 107 V C -0.762 175.303 176.094 -0.047 0.000 1.120 107 V CA -1.051 61.246 62.300 -0.005 0.000 0.980 107 V CB 1.819 33.593 31.823 -0.082 0.000 1.033 107 V HN 0.688 nan 8.190 nan 0.000 0.429 108 I N 3.579 124.115 120.570 -0.057 0.000 2.362 108 I HA 0.590 4.751 4.170 -0.015 0.000 0.289 108 I C -0.674 175.386 176.117 -0.095 0.000 0.994 108 I CA -0.315 60.950 61.300 -0.060 0.000 1.158 108 I CB 1.479 39.463 38.000 -0.027 0.000 1.315 108 I HN 0.471 nan 8.210 nan 0.000 0.451 109 L N 4.492 125.642 121.223 -0.121 0.000 2.350 109 L HA 0.481 4.812 4.340 -0.015 0.000 0.260 109 L C -0.452 176.364 176.870 -0.089 0.000 1.015 109 L CA -1.008 53.747 54.840 -0.141 0.000 0.821 109 L CB 2.038 43.943 42.059 -0.257 0.000 1.370 109 L HN 0.434 nan 8.230 nan 0.000 0.416 110 D N 0.895 121.256 120.400 -0.066 0.000 2.371 110 D HA 0.081 4.712 4.640 -0.015 0.000 0.256 110 D C 1.101 177.359 176.300 -0.070 0.000 1.193 110 D CA 0.374 54.358 54.000 -0.027 0.000 0.881 110 D CB 1.995 42.792 40.800 -0.005 0.000 1.143 110 D HN 0.657 nan 8.370 nan 0.000 0.473 111 G N 4.141 112.890 108.800 -0.084 0.000 2.450 111 G HA2 -0.286 3.665 3.960 -0.015 0.000 0.220 111 G HA3 -0.286 3.665 3.960 -0.015 0.000 0.220 111 G C 1.352 175.991 174.900 -0.436 0.000 1.130 111 G CA 0.128 44.998 45.100 -0.383 0.000 0.760 111 G HN 0.516 nan 8.290 nan 0.000 0.557 112 N N 0.904 119.530 118.700 -0.122 0.000 2.453 112 N HA -0.097 4.634 4.740 -0.015 0.000 0.183 112 N C 2.341 177.847 175.510 -0.006 0.000 1.041 112 N CA 1.299 54.357 53.050 0.013 0.000 0.900 112 N CB -0.072 38.488 38.487 0.123 0.000 0.961 112 N HN 0.479 nan 8.380 nan 0.000 0.443 113 S N -0.580 115.108 115.700 -0.020 0.000 2.593 113 S HA 0.182 4.643 4.470 -0.015 0.000 0.217 113 S C 0.647 175.266 174.600 0.033 0.000 0.966 113 S CA -0.292 57.925 58.200 0.027 0.000 0.914 113 S CB -0.029 63.192 63.200 0.034 0.000 0.776 113 S HN 0.064 nan 8.310 nan 0.000 0.523 114 L N 1.351 122.560 121.223 -0.023 0.000 2.330 114 L HA 0.617 4.948 4.340 -0.015 0.000 0.271 114 L C -0.208 176.674 176.870 0.019 0.000 1.013 114 L CA -0.753 54.092 54.840 0.008 0.000 0.816 114 L CB 1.490 43.523 42.059 -0.044 0.000 1.287 114 L HN 0.087 nan 8.230 nan 0.000 0.435 115 E N 2.081 122.317 120.200 0.059 0.000 2.158 115 E HA 0.229 4.570 4.350 -0.015 0.000 0.271 115 E C -0.965 175.650 176.600 0.025 0.000 0.911 115 E CA -0.631 55.791 56.400 0.037 0.000 0.767 115 E CB 2.355 32.082 29.700 0.044 0.000 1.120 115 E HN 0.324 nan 8.360 nan 0.000 0.405 116 K N 2.178 122.587 120.400 0.015 0.000 2.298 116 K HA 0.252 4.563 4.320 -0.015 0.000 0.280 116 K C -0.132 176.458 176.600 -0.018 0.000 1.032 116 K CA -0.389 55.912 56.287 0.022 0.000 0.958 116 K CB 0.622 33.142 32.500 0.033 0.000 0.978 116 K HN 0.327 nan 8.250 nan 0.000 0.472 117 V N 0.275 120.162 119.914 -0.044 0.000 2.815 117 V HA 0.421 4.532 4.120 -0.015 0.000 0.314 117 V C -0.837 175.266 176.094 0.015 0.000 1.064 117 V CA -1.040 61.144 62.300 -0.194 0.000 0.952 117 V CB 1.769 33.133 31.823 -0.766 0.000 1.020 117 V HN 0.807 nan 8.190 nan 0.000 0.439 118 D N 3.862 124.322 120.400 0.100 0.000 2.412 118 D HA 0.496 5.127 4.640 -0.015 0.000 0.224 118 D C -1.630 174.871 176.300 0.335 0.000 1.093 118 D CA -2.325 51.802 54.000 0.213 0.000 0.850 118 D CB 2.088 42.992 40.800 0.173 0.000 1.046 118 D HN 0.391 nan 8.370 nan 0.000 0.507 119 P HA -0.138 nan 4.420 nan 0.000 0.225 119 P C 1.167 178.522 177.300 0.093 0.000 1.148 119 P CA 0.702 63.889 63.100 0.144 0.000 0.779 119 P CB 0.433 32.083 31.700 -0.084 0.000 0.780 120 Q N -0.158 119.713 119.800 0.119 0.000 2.181 120 Q HA -0.092 4.239 4.340 -0.015 0.000 0.205 120 Q C 2.288 178.350 176.000 0.103 0.000 0.980 120 Q CA 1.092 56.952 55.803 0.095 0.000 0.862 120 Q CB -0.910 27.883 28.738 0.092 0.000 0.905 120 Q HN 0.394 nan 8.270 nan 0.000 0.429 121 L N 0.388 121.694 121.223 0.138 0.000 2.191 121 L HA -0.120 4.211 4.340 -0.015 0.000 0.212 121 L C 1.908 178.804 176.870 0.044 0.000 1.103 121 L CA 0.848 55.760 54.840 0.121 0.000 0.769 121 L CB -0.233 41.954 42.059 0.213 0.000 0.908 121 L HN 0.094 nan 8.230 nan 0.000 0.438 122 V N -5.905 113.960 119.914 -0.082 0.000 3.176 122 V HA 0.255 4.366 4.120 -0.015 0.000 0.332 122 V C 0.083 176.232 176.094 0.092 0.000 1.414 122 V CA -0.442 61.775 62.300 -0.139 0.000 1.133 122 V CB 0.040 31.496 31.823 -0.611 0.000 1.088 122 V HN 0.254 nan 8.190 nan 0.000 0.473 123 D N 1.691 122.183 120.400 0.154 0.000 2.751 123 D HA -0.181 4.450 4.640 -0.015 0.000 0.233 123 D C 1.553 177.879 176.300 0.044 0.000 1.149 123 D CA 1.864 55.945 54.000 0.134 0.000 0.682 123 D CB -1.432 39.510 40.800 0.235 0.000 1.068 123 D HN 1.328 nan 8.370 nan 0.000 0.429 124 G N -0.249 108.529 108.800 -0.037 0.000 2.189 124 G HA2 -0.387 3.564 3.960 -0.015 0.000 0.267 124 G HA3 -0.387 3.564 3.960 -0.015 0.000 0.267 124 G C 0.211 174.987 174.900 -0.207 0.000 0.975 124 G CA 0.489 45.520 45.100 -0.115 0.000 0.644 124 G HN 0.676 nan 8.290 nan 0.000 0.537 125 H N 1.178 120.036 119.070 -0.352 0.000 2.982 125 H HA 0.397 4.944 4.556 -0.015 0.000 0.261 125 H C 1.931 176.844 175.328 -0.691 0.000 1.603 125 H CA -0.027 55.656 56.048 -0.609 0.000 1.398 125 H CB -0.280 28.885 29.762 -0.995 0.000 1.693 125 H HN 0.313 nan 8.280 nan 0.000 0.535 126 L N 2.246 123.177 121.223 -0.487 0.000 2.127 126 L HA -0.214 4.117 4.340 -0.015 0.000 0.211 126 L C 2.526 179.199 176.870 -0.329 0.000 1.089 126 L CA 1.391 56.066 54.840 -0.275 0.000 0.757 126 L CB -0.355 41.645 42.059 -0.098 0.000 0.899 126 L HN 0.477 nan 8.230 nan 0.000 0.434 127 S N -1.337 113.918 115.700 -0.740 0.000 2.469 127 S HA -0.179 4.282 4.470 -0.015 0.000 0.238 127 S C 1.853 176.358 174.600 -0.159 0.000 0.998 127 S CA 0.585 58.376 58.200 -0.681 0.000 0.957 127 S CB -0.543 62.061 63.200 -0.993 0.000 0.764 127 S HN 0.346 nan 8.310 nan 0.000 0.514 128 Y N 0.841 120.984 120.300 -0.261 0.000 2.421 128 Y HA 0.160 4.701 4.550 -0.014 0.000 0.292 128 Y C 1.594 177.341 175.900 -0.255 0.000 1.136 128 Y CA -0.779 57.130 58.100 -0.317 0.000 1.255 128 Y CB -1.209 36.946 38.460 -0.508 0.000 0.991 128 Y HN 0.280 nan 8.280 nan 0.000 0.552 129 F N -0.652 119.304 119.950 0.010 0.000 2.641 129 F HA -0.080 4.438 4.527 -0.015 0.000 0.298 129 F C 1.591 177.389 175.800 -0.003 0.000 1.146 129 F CA 0.808 58.805 58.000 -0.006 0.000 1.464 129 F CB -0.549 38.445 39.000 -0.010 0.000 1.101 129 F HN -0.002 nan 8.300 nan 0.000 0.585 130 L N -2.005 119.305 121.223 0.146 0.000 2.693 130 L HA 0.348 4.679 4.340 -0.015 0.000 0.235 130 L C 1.571 178.487 176.870 0.077 0.000 1.127 130 L CA 0.283 55.187 54.840 0.107 0.000 0.914 130 L CB -0.172 41.930 42.059 0.071 0.000 1.193 130 L HN 0.152 nan 8.230 nan 0.000 0.502 131 G N -0.785 108.042 108.800 0.044 0.000 3.009 131 G HA2 0.316 4.267 3.960 -0.015 0.000 0.193 131 G HA3 0.316 4.267 3.960 -0.015 0.000 0.193 131 G C 0.998 175.873 174.900 -0.041 0.000 1.636 131 G CA 0.554 45.655 45.100 0.002 0.000 0.832 131 G HN -0.029 nan 8.290 nan 0.000 0.795 132 A N -0.277 122.463 122.820 -0.133 0.000 2.015 132 A HA 0.287 4.598 4.320 -0.015 0.000 0.219 132 A C 1.537 179.053 177.584 -0.113 0.000 1.163 132 A CA 0.865 52.811 52.037 -0.151 0.000 0.646 132 A CB -0.422 18.417 19.000 -0.269 0.000 0.806 132 A HN 0.345 nan 8.150 nan 0.000 0.448 133 I N -0.461 120.029 120.570 -0.133 0.000 3.517 133 I HA 0.381 4.542 4.170 -0.015 0.000 0.346 133 I C 0.782 176.943 176.117 0.074 0.000 1.510 133 I CA -0.054 61.210 61.300 -0.061 0.000 1.090 133 I CB 0.159 38.048 38.000 -0.186 0.000 1.506 133 I HN 0.275 nan 8.210 nan 0.000 0.477 134 G N 0.179 109.004 108.800 0.042 0.000 2.846 134 G HA2 0.305 4.256 3.960 -0.015 0.000 0.299 134 G HA3 0.305 4.256 3.960 -0.015 0.000 0.299 134 G C 0.429 175.307 174.900 -0.036 0.000 1.242 134 G CA -0.364 44.772 45.100 0.060 0.000 0.800 134 G HN -0.175 nan 8.290 nan 0.000 0.538 135 M N 0.258 119.836 119.600 -0.037 0.000 2.108 135 M HA 0.004 4.475 4.480 -0.015 0.000 0.261 135 M C -0.426 175.859 176.300 -0.025 0.000 1.066 135 M CA 1.577 56.817 55.300 -0.100 0.000 1.107 135 M CB -2.038 30.539 32.600 -0.038 0.000 1.356 135 M HN 0.178 nan 8.290 nan 0.000 0.406 136 P HA -0.034 nan 4.420 nan 0.000 0.216 136 P C 1.614 178.939 177.300 0.042 0.000 1.153 136 P CA 1.690 64.829 63.100 0.064 0.000 0.844 136 P CB -0.372 31.367 31.700 0.066 0.000 0.787 137 G N 0.014 108.819 108.800 0.008 0.000 2.440 137 G HA2 -0.236 3.715 3.960 -0.015 0.000 0.218 137 G HA3 -0.236 3.715 3.960 -0.015 0.000 0.218 137 G C 1.514 176.432 174.900 0.030 0.000 1.154 137 G CA 0.601 45.708 45.100 0.011 0.000 0.767 137 G HN 0.212 nan 8.290 nan 0.000 0.552 138 L N 0.415 121.626 121.223 -0.019 0.000 2.046 138 L HA -0.091 4.240 4.340 -0.015 0.000 0.208 138 L C 3.220 180.135 176.870 0.076 0.000 1.077 138 L CA 1.547 56.365 54.840 -0.036 0.000 0.747 138 L CB -0.754 41.140 42.059 -0.276 0.000 0.896 138 L HN 0.185 nan 8.230 nan 0.000 0.432 139 T N -1.053 113.571 114.554 0.116 0.000 2.684 139 T HA -0.180 4.161 4.350 -0.015 0.000 0.267 139 T C 2.148 177.053 174.700 0.341 0.000 1.036 139 T CA 1.731 64.019 62.100 0.313 0.000 1.148 139 T CB -0.144 68.904 68.868 0.301 0.000 0.863 139 T HN 0.266 nan 8.240 nan 0.000 0.436 140 S N 1.171 117.004 115.700 0.222 0.000 2.356 140 S HA -0.026 4.435 4.470 -0.015 0.000 0.223 140 S C 1.936 176.595 174.600 0.100 0.000 1.032 140 S CA 0.759 59.034 58.200 0.125 0.000 1.005 140 S CB -0.475 62.638 63.200 -0.144 0.000 0.867 140 S HN 0.272 nan 8.310 nan 0.000 0.449 141 L N 1.893 123.175 121.223 0.098 0.000 2.027 141 L HA 0.092 4.423 4.340 -0.015 0.000 0.206 141 L C 1.906 178.811 176.870 0.058 0.000 1.074 141 L CA 1.632 56.541 54.840 0.116 0.000 0.745 141 L CB -0.660 41.493 42.059 0.157 0.000 0.898 141 L HN 0.282 nan 8.230 nan 0.000 0.433 142 I N -0.511 120.097 120.570 0.063 0.000 2.315 142 I HA -0.153 4.008 4.170 -0.015 0.000 0.248 142 I C 2.469 178.458 176.117 -0.214 0.000 1.117 142 I CA 1.052 62.347 61.300 -0.008 0.000 1.404 142 I CB -1.072 36.992 38.000 0.108 0.000 1.071 142 I HN 0.414 nan 8.210 nan 0.000 0.419 143 G N 1.490 110.093 108.800 -0.328 0.000 2.446 143 G HA2 -0.229 3.722 3.960 -0.015 0.000 0.217 143 G HA3 -0.229 3.722 3.960 -0.015 0.000 0.217 143 G C 1.692 176.323 174.900 -0.448 0.000 1.168 143 G CA 0.800 45.345 45.100 -0.924 0.000 0.771 143 G HN 0.306 nan 8.290 nan 0.000 0.551 144 I N 0.173 120.662 120.570 -0.135 0.000 2.179 144 I HA -0.188 3.973 4.170 -0.015 0.000 0.242 144 I C 3.076 179.112 176.117 -0.136 0.000 1.088 144 I CA 1.045 62.300 61.300 -0.075 0.000 1.357 144 I CB -0.202 37.796 38.000 -0.003 0.000 1.051 144 I HN 0.153 nan 8.210 nan 0.000 0.409 145 Q N 0.447 120.173 119.800 -0.122 0.000 2.084 145 Q HA -0.197 4.134 4.340 -0.015 0.000 0.202 145 Q C 2.035 177.908 176.000 -0.212 0.000 0.978 145 Q CA 1.333 57.059 55.803 -0.128 0.000 0.844 145 Q CB -0.171 28.522 28.738 -0.075 0.000 0.898 145 Q HN 0.544 nan 8.270 nan 0.000 0.426 146 E N -0.128 119.913 120.200 -0.266 0.000 2.250 146 E HA -0.009 4.332 4.350 -0.015 0.000 0.192 146 E C 1.354 177.798 176.600 -0.260 0.000 0.986 146 E CA 0.566 56.812 56.400 -0.257 0.000 0.849 146 E CB 0.362 29.877 29.700 -0.308 0.000 0.797 146 E HN 0.165 nan 8.360 nan 0.000 0.482 147 K N -0.639 119.584 120.400 -0.294 0.000 2.440 147 K HA 0.220 4.531 4.320 -0.015 0.000 0.207 147 K C 1.655 178.178 176.600 -0.128 0.000 1.112 147 K CA 0.495 56.671 56.287 -0.184 0.000 1.036 147 K CB 1.127 33.501 32.500 -0.210 0.000 0.935 147 K HN 0.074 nan 8.250 nan 0.000 0.564 148 G N 0.267 108.959 108.800 -0.181 0.000 2.494 148 G HA2 -0.142 3.809 3.960 -0.015 0.000 0.216 148 G HA3 -0.142 3.809 3.960 -0.015 0.000 0.216 148 G C -0.123 174.744 174.900 -0.056 0.000 1.140 148 G CA 0.068 45.122 45.100 -0.076 0.000 0.801 148 G HN 0.432 nan 8.290 nan 0.000 0.536 149 H N -0.611 118.301 119.070 -0.263 0.000 2.692 149 H HA -0.129 4.420 4.556 -0.011 0.000 0.316 149 H C -0.053 175.219 175.328 -0.093 0.000 1.176 149 H CA 0.454 56.369 56.048 -0.222 0.000 1.142 149 H CB -1.892 27.631 29.762 -0.399 0.000 1.475 149 H HN 0.362 nan 8.280 nan 0.000 0.423 150 I N 0.490 121.047 120.570 -0.023 0.000 2.365 150 I HA 0.167 4.328 4.170 -0.015 0.000 0.291 150 I C 1.035 177.153 176.117 0.001 0.000 1.004 150 I CA -0.230 61.071 61.300 0.002 0.000 1.311 150 I CB 1.440 39.431 38.000 -0.013 0.000 1.401 150 I HN 0.169 nan 8.210 nan 0.000 0.491 155 N N 2.261 120.971 118.700 0.016 0.000 2.914 155 N HA 0.246 4.977 4.740 -0.015 0.000 0.304 155 N C -0.795 174.721 175.510 0.010 0.000 1.727 155 N CA -0.337 52.721 53.050 0.014 0.000 0.986 155 N CB 0.938 39.432 38.487 0.013 0.000 1.297 155 N HN 0.556 nan 8.380 nan 0.000 0.490 156 K N 0.227 120.631 120.400 0.007 0.000 2.126 156 K HA 0.297 4.608 4.320 -0.015 0.000 0.257 156 K C 0.139 176.729 176.600 -0.016 0.000 1.007 156 K CA -0.008 56.281 56.287 0.004 0.000 0.928 156 K CB 0.976 33.484 32.500 0.013 0.000 1.013 156 K HN -0.033 nan 8.250 nan 0.000 0.473 157 T N 2.487 117.033 114.554 -0.013 0.000 2.758 157 T HA 0.292 4.633 4.350 -0.015 0.000 0.285 157 T C -0.436 174.247 174.700 -0.028 0.000 0.981 157 T CA -0.496 61.586 62.100 -0.030 0.000 0.965 157 T CB 0.581 69.439 68.868 -0.018 0.000 0.927 157 T HN 0.429 nan 8.240 nan 0.000 0.448 158 M N 4.346 123.904 119.600 -0.070 0.000 2.336 158 M HA 0.622 5.093 4.480 -0.015 0.000 0.342 158 M C -1.471 174.821 176.300 -0.014 0.000 1.128 158 M CA -0.652 54.623 55.300 -0.042 0.000 1.016 158 M CB 0.948 33.477 32.600 -0.118 0.000 1.665 158 M HN 0.296 nan 8.290 nan 0.000 0.445 159 V N 5.203 125.168 119.914 0.085 0.000 2.513 159 V HA 0.554 4.665 4.120 -0.015 0.000 0.299 159 V C -0.725 175.553 176.094 0.306 0.000 1.035 159 V CA -0.694 61.688 62.300 0.138 0.000 0.889 159 V CB 1.916 33.763 31.823 0.041 0.000 0.988 159 V HN 0.700 nan 8.190 nan 0.000 0.440 160 V N 3.964 124.048 119.914 0.283 0.000 2.444 160 V HA 0.533 4.644 4.120 -0.015 0.000 0.294 160 V C 0.218 176.508 176.094 0.326 0.000 1.022 160 V CA -0.473 62.021 62.300 0.323 0.000 0.850 160 V CB 1.932 33.895 31.823 0.234 0.000 0.992 160 V HN 0.996 nan 8.190 nan 0.000 0.426 161 S N 2.618 118.540 115.700 0.370 0.000 2.672 161 S HA 0.683 5.144 4.470 -0.015 0.000 0.276 161 S C 1.019 175.722 174.600 0.172 0.000 1.207 161 S CA 0.084 58.440 58.200 0.260 0.000 1.002 161 S CB 1.421 64.796 63.200 0.292 0.000 0.998 161 S HN 2.260 nan 8.310 nan 0.000 0.542 162 G N 0.063 108.931 108.800 0.113 0.000 2.356 162 G HA2 -0.116 3.835 3.960 -0.015 0.000 0.296 162 G HA3 -0.116 3.835 3.960 -0.015 0.000 0.296 162 G C 0.843 175.784 174.900 0.069 0.000 1.022 162 G CA 0.349 45.502 45.100 0.090 0.000 0.961 162 G HN 1.506 nan 8.290 nan 0.000 0.510 163 A N -0.721 122.128 122.820 0.049 0.000 2.015 163 A HA 0.428 4.739 4.320 -0.015 0.000 0.219 163 A C 2.450 179.963 177.584 -0.118 0.000 1.163 163 A CA 1.957 53.987 52.037 -0.010 0.000 0.646 163 A CB -0.121 18.833 19.000 -0.077 0.000 0.806 163 A HN 1.823 nan 8.150 nan 0.000 0.448 164 A N -0.660 122.096 122.820 -0.105 0.000 2.423 164 A HA 0.540 4.851 4.320 -0.015 0.000 0.246 164 A C 1.165 178.717 177.584 -0.053 0.000 1.278 164 A CA 0.512 52.479 52.037 -0.118 0.000 0.903 164 A CB -0.620 18.306 19.000 -0.124 0.000 0.997 164 A HN 0.604 nan 8.150 nan 0.000 0.510 165 G N -2.095 106.694 108.800 -0.018 0.000 2.532 165 G HA2 0.458 4.409 3.960 -0.015 0.000 0.291 165 G HA3 0.458 4.409 3.960 -0.015 0.000 0.291 165 G C 1.158 176.059 174.900 0.001 0.000 1.349 165 G CA 0.135 45.239 45.100 0.007 0.000 1.038 165 G HN 0.444 nan 8.290 nan 0.000 0.518 166 A N -1.164 121.670 122.820 0.023 0.000 1.845 166 A HA -0.106 4.205 4.320 -0.015 0.000 0.215 166 A C 2.546 180.131 177.584 0.002 0.000 1.195 166 A CA 2.220 54.265 52.037 0.014 0.000 0.616 166 A CB -1.099 17.930 19.000 0.049 0.000 0.832 166 A HN 0.600 nan 8.150 nan 0.000 0.443 167 C N -1.129 118.193 119.300 0.038 0.000 2.453 167 C HA 0.066 4.517 4.460 -0.015 0.000 0.277 167 C C 3.045 177.950 174.990 -0.141 0.000 1.262 167 C CA 0.577 59.602 59.018 0.012 0.000 1.718 167 C CB -1.658 26.186 27.740 0.173 0.000 2.031 167 C HN 0.714 nan 8.230 nan 0.000 0.480 168 G N 0.913 109.668 108.800 -0.074 0.000 2.418 168 G HA2 -0.228 3.723 3.960 -0.015 0.000 0.217 168 G HA3 -0.228 3.723 3.960 -0.015 0.000 0.217 168 G C 1.781 176.655 174.900 -0.044 0.000 1.158 168 G CA 1.469 46.506 45.100 -0.105 0.000 0.771 168 G HN 0.652 nan 8.290 nan 0.000 0.545 169 S N 0.063 115.748 115.700 -0.025 0.000 2.402 169 S HA -0.041 4.420 4.470 -0.015 0.000 0.229 169 S C 2.224 176.823 174.600 -0.002 0.000 1.021 169 S CA 1.338 59.551 58.200 0.023 0.000 0.974 169 S CB -0.226 62.953 63.200 -0.035 0.000 0.800 169 S HN 0.107 nan 8.310 nan 0.000 0.484 170 V N 2.243 122.098 119.914 -0.099 0.000 2.407 170 V HA 0.061 4.172 4.120 -0.015 0.000 0.245 170 V C 3.144 179.072 176.094 -0.276 0.000 1.041 170 V CA 1.261 63.472 62.300 -0.148 0.000 1.040 170 V CB -1.427 30.337 31.823 -0.099 0.000 0.671 170 V HN 0.627 nan 8.190 nan 0.000 0.455 171 A N 0.913 123.489 122.820 -0.406 0.000 1.892 171 A HA -0.179 4.132 4.320 -0.015 0.000 0.218 171 A C 2.402 179.671 177.584 -0.525 0.000 1.188 171 A CA 2.259 53.922 52.037 -0.624 0.000 0.631 171 A CB -1.327 16.834 19.000 -1.398 0.000 0.822 171 A HN 0.534 nan 8.150 nan 0.000 0.447 172 G N -1.239 107.282 108.800 -0.466 0.000 2.422 172 G HA2 -0.187 3.764 3.960 -0.015 0.000 0.218 172 G HA3 -0.187 3.764 3.960 -0.015 0.000 0.218 172 G C 1.614 175.980 174.900 -0.890 0.000 1.146 172 G CA 0.961 45.555 45.100 -0.843 0.000 0.769 172 G HN 0.662 nan 8.290 nan 0.000 0.547 173 Q N -0.248 119.149 119.800 -0.673 0.000 2.046 173 Q HA 0.054 4.386 4.340 -0.015 0.000 0.200 173 Q C 2.610 177.760 176.000 -1.417 0.000 0.975 173 Q CA 0.865 56.143 55.803 -0.876 0.000 0.836 173 Q CB -0.172 28.158 28.738 -0.679 0.000 0.896 173 Q HN 0.495 nan 8.270 nan 0.000 0.428 174 I N 0.651 120.599 120.570 -1.038 0.000 2.286 174 I HA -0.210 3.951 4.170 -0.015 0.000 0.248 174 I C 2.320 178.132 176.117 -0.508 0.000 1.115 174 I CA 1.063 61.894 61.300 -0.782 0.000 1.392 174 I CB -0.648 37.182 38.000 -0.284 0.000 1.065 174 I HN 0.299 nan 8.210 nan 0.000 0.418 175 G N -0.167 108.341 108.800 -0.486 0.000 2.446 175 G HA2 -0.286 3.665 3.960 -0.015 0.000 0.217 175 G HA3 -0.286 3.665 3.960 -0.015 0.000 0.217 175 G C 1.417 176.116 174.900 -0.335 0.000 1.168 175 G CA 1.006 45.883 45.100 -0.371 0.000 0.771 175 G HN 0.436 nan 8.290 nan 0.000 0.551 176 H N -0.885 117.932 119.070 -0.421 0.000 2.357 176 H HA -0.005 4.543 4.556 -0.014 0.000 0.301 176 H C 2.459 177.701 175.328 -0.143 0.000 1.082 176 H CA 1.101 56.974 56.048 -0.291 0.000 1.342 176 H CB -0.043 29.524 29.762 -0.325 0.000 1.389 176 H HN 0.327 nan 8.280 nan 0.000 0.511 177 F N 0.237 120.072 119.950 -0.192 0.000 2.161 177 F HA -0.134 4.385 4.527 -0.014 0.000 0.300 177 F C 1.816 177.537 175.800 -0.131 0.000 1.089 177 F CA 1.032 58.860 58.000 -0.287 0.000 1.282 177 F CB -0.650 37.930 39.000 -0.700 0.000 1.010 177 F HN 0.138 nan 8.300 nan 0.000 0.485 178 L N -1.162 120.107 121.223 0.076 0.000 2.653 178 L HA 0.349 4.680 4.340 -0.015 0.000 0.231 178 L C 1.434 178.328 176.870 0.040 0.000 1.153 178 L CA 0.633 55.521 54.840 0.080 0.000 0.933 178 L CB -0.326 41.777 42.059 0.074 0.000 1.175 178 L HN 0.384 nan 8.230 nan 0.000 0.473 179 G N -1.196 107.623 108.800 0.031 0.000 2.205 179 G HA2 -0.204 3.747 3.960 -0.015 0.000 0.180 179 G HA3 -0.204 3.747 3.960 -0.015 0.000 0.180 179 G C 0.219 175.127 174.900 0.014 0.000 1.004 179 G CA -0.465 44.652 45.100 0.029 0.000 0.670 179 G HN 0.236 nan 8.290 nan 0.000 0.496 180 C N 2.396 121.683 119.300 -0.021 0.000 2.653 180 C HA 0.493 4.944 4.460 -0.015 0.000 0.421 180 C C 2.308 177.315 174.990 0.028 0.000 1.334 180 C CA 0.621 59.611 59.018 -0.047 0.000 1.885 180 C CB 0.810 28.448 27.740 -0.171 0.000 2.645 180 C HN 0.801 nan 8.230 nan 0.000 0.601 181 S N 2.149 117.865 115.700 0.027 0.000 2.446 181 S HA 0.030 4.491 4.470 -0.015 0.000 0.225 181 S C 0.634 175.294 174.600 0.100 0.000 1.016 181 S CA 0.398 58.639 58.200 0.069 0.000 0.943 181 S CB 0.197 63.418 63.200 0.034 0.000 0.786 181 S HN 0.818 nan 8.310 nan 0.000 0.508 182 R N 0.248 120.753 120.500 0.007 0.000 2.628 182 R HA 0.661 4.992 4.340 -0.015 0.000 0.288 182 R C -2.215 173.969 176.300 -0.193 0.000 0.980 182 R CA -0.469 55.623 56.100 -0.014 0.000 0.891 182 R CB 2.131 32.428 30.300 -0.005 0.000 1.188 182 R HN 0.136 nan 8.270 nan 0.000 0.450 183 V N 4.635 124.384 119.914 -0.274 0.000 2.525 183 V HA 0.427 4.538 4.120 -0.015 0.000 0.299 183 V C -0.829 175.182 176.094 -0.138 0.000 1.034 183 V CA -0.757 61.294 62.300 -0.415 0.000 0.863 183 V CB 1.959 33.199 31.823 -0.972 0.000 0.999 183 V HN 0.480 nan 8.190 nan 0.000 0.423 184 V N 3.462 123.373 119.914 -0.006 0.000 2.540 184 V HA 0.845 4.956 4.120 -0.015 0.000 0.302 184 V C 0.557 176.803 176.094 0.254 0.000 1.035 184 V CA -0.318 62.068 62.300 0.143 0.000 0.873 184 V CB 2.069 33.929 31.823 0.062 0.000 0.992 184 V HN 0.936 nan 8.190 nan 0.000 0.428 185 G N 4.118 113.111 108.800 0.321 0.000 2.416 185 G HA2 0.777 4.728 3.960 -0.015 0.000 0.329 185 G HA3 0.777 4.728 3.960 -0.015 0.000 0.329 185 G C -1.020 173.924 174.900 0.074 0.000 1.173 185 G CA -0.577 44.655 45.100 0.221 0.000 0.929 185 G HN 0.606 nan 8.290 nan 0.000 0.475 186 I N 1.202 121.829 120.570 0.095 0.000 2.406 186 I HA 0.460 4.621 4.170 -0.015 0.000 0.290 186 I C 0.267 176.461 176.117 0.128 0.000 0.999 186 I CA -0.629 60.731 61.300 0.101 0.000 1.124 186 I CB 1.564 39.637 38.000 0.121 0.000 1.289 186 I HN 0.743 nan 8.210 nan 0.000 0.441 187 C N 1.713 121.090 119.300 0.128 0.000 3.340 187 C HA 0.763 5.214 4.460 -0.015 0.000 0.333 187 C C 1.097 176.088 174.990 0.002 0.000 1.464 187 C CA -0.333 58.764 59.018 0.130 0.000 1.337 187 C CB 1.098 28.823 27.740 -0.025 0.000 1.740 187 C HN 0.877 nan 8.230 nan 0.000 0.450 188 G N -0.198 108.545 108.800 -0.094 0.000 2.986 188 G HA2 0.451 4.402 3.960 -0.015 0.000 0.213 188 G HA3 0.451 4.402 3.960 -0.015 0.000 0.213 188 G C 0.386 175.098 174.900 -0.313 0.000 1.156 188 G CA 1.077 45.898 45.100 -0.465 0.000 0.763 188 G HN 1.450 nan 8.290 nan 0.000 0.547 189 T N -4.608 109.841 114.554 -0.176 0.000 2.900 189 T HA 0.373 4.714 4.350 -0.015 0.000 0.303 189 T C 0.547 175.208 174.700 -0.065 0.000 1.142 189 T CA -0.655 61.400 62.100 -0.076 0.000 1.007 189 T CB 1.667 70.513 68.868 -0.036 0.000 1.156 189 T HN 0.131 nan 8.240 nan 0.000 0.490 190 H N 0.307 119.322 119.070 -0.093 0.000 2.423 190 H HA -0.030 4.517 4.556 -0.014 0.000 0.297 190 H C 1.978 177.265 175.328 -0.069 0.000 1.075 190 H CA 1.672 57.675 56.048 -0.075 0.000 1.342 190 H CB 0.375 30.101 29.762 -0.061 0.000 1.395 190 H HN 0.866 nan 8.280 nan 0.000 0.530 191 E N 1.840 122.072 120.200 0.054 0.000 2.058 191 E HA -0.190 4.151 4.350 -0.015 0.000 0.194 191 E C 1.908 178.485 176.600 -0.038 0.000 0.997 191 E CA 1.208 57.608 56.400 0.001 0.000 0.801 191 E CB 0.144 29.839 29.700 -0.008 0.000 0.746 191 E HN 0.379 nan 8.360 nan 0.000 0.450 192 K N -0.150 120.215 120.400 -0.059 0.000 2.057 192 K HA -0.138 4.173 4.320 -0.015 0.000 0.207 192 K C 2.337 178.853 176.600 -0.141 0.000 1.049 192 K CA 1.427 57.654 56.287 -0.100 0.000 0.931 192 K CB -0.202 32.238 32.500 -0.101 0.000 0.714 192 K HN 0.267 nan 8.250 nan 0.000 0.440 193 C N 0.865 120.083 119.300 -0.137 0.000 2.413 193 C HA -0.103 4.348 4.460 -0.015 0.000 0.276 193 C C 2.504 177.423 174.990 -0.118 0.000 1.248 193 C CA 0.531 59.456 59.018 -0.155 0.000 1.742 193 C CB -0.710 26.930 27.740 -0.167 0.000 2.017 193 C HN 0.416 nan 8.230 nan 0.000 0.481 194 I N 0.383 120.909 120.570 -0.072 0.000 2.226 194 I HA -0.204 3.957 4.170 -0.015 0.000 0.245 194 I C 2.482 178.563 176.117 -0.060 0.000 1.100 194 I CA 1.225 62.497 61.300 -0.047 0.000 1.374 194 I CB -0.511 37.477 38.000 -0.021 0.000 1.057 194 I HN 0.310 nan 8.210 nan 0.000 0.413 195 L N 0.919 122.095 121.223 -0.079 0.000 2.012 195 L HA -0.221 4.110 4.340 -0.015 0.000 0.210 195 L C 2.339 179.139 176.870 -0.115 0.000 1.073 195 L CA 1.922 56.711 54.840 -0.085 0.000 0.748 195 L CB -0.457 41.544 42.059 -0.096 0.000 0.891 195 L HN 0.124 nan 8.230 nan 0.000 0.431 196 L N -0.829 120.262 121.223 -0.220 0.000 2.017 196 L HA -0.199 4.132 4.340 -0.015 0.000 0.208 196 L C 2.546 179.369 176.870 -0.078 0.000 1.073 196 L CA 1.992 56.605 54.840 -0.378 0.000 0.745 196 L CB -1.291 40.287 42.059 -0.801 0.000 0.894 196 L HN 0.556 nan 8.230 nan 0.000 0.432 197 T N -4.345 110.184 114.554 -0.041 0.000 3.009 197 T HA -0.063 4.278 4.350 -0.015 0.000 0.258 197 T C 1.947 176.668 174.700 0.035 0.000 1.063 197 T CA 0.844 62.971 62.100 0.045 0.000 1.139 197 T CB -0.183 68.700 68.868 0.025 0.000 0.890 197 T HN 0.386 nan 8.240 nan 0.000 0.471 198 S N 0.955 116.658 115.700 0.006 0.000 2.458 198 S HA 0.167 4.628 4.470 -0.015 0.000 0.223 198 S C 1.801 176.407 174.600 0.009 0.000 1.019 198 S CA 0.139 58.342 58.200 0.005 0.000 0.937 198 S CB -0.121 63.076 63.200 -0.005 0.000 0.788 198 S HN 0.633 nan 8.310 nan 0.000 0.511 199 E N 0.404 120.610 120.200 0.011 0.000 2.332 199 E HA 0.330 4.671 4.350 -0.015 0.000 0.202 199 E C 1.193 177.818 176.600 0.042 0.000 0.877 199 E CA 0.156 56.566 56.400 0.016 0.000 0.979 199 E CB 0.267 29.967 29.700 -0.000 0.000 0.969 199 E HN 0.396 nan 8.360 nan 0.000 0.495 200 L N -0.091 121.179 121.223 0.078 0.000 2.640 200 L HA 0.330 4.661 4.340 -0.015 0.000 0.230 200 L C 1.103 178.104 176.870 0.218 0.000 1.123 200 L CA 0.333 55.264 54.840 0.152 0.000 0.900 200 L CB 0.489 42.673 42.059 0.208 0.000 1.146 200 L HN 0.279 nan 8.230 nan 0.000 0.484 201 G N 0.419 109.321 108.800 0.169 0.000 2.148 201 G HA2 -0.317 3.634 3.960 -0.015 0.000 0.254 201 G HA3 -0.317 3.634 3.960 -0.015 0.000 0.254 201 G C 0.226 175.256 174.900 0.217 0.000 0.981 201 G CA -0.233 44.934 45.100 0.112 0.000 0.670 201 G HN 0.255 nan 8.290 nan 0.000 0.528 202 F N 0.982 120.960 119.950 0.046 0.000 2.563 202 F HA 0.190 4.708 4.527 -0.016 0.000 0.363 202 F C 1.698 177.540 175.800 0.070 0.000 1.123 202 F CA 0.141 58.176 58.000 0.060 0.000 1.307 202 F CB 0.561 39.553 39.000 -0.015 0.000 1.115 202 F HN 0.009 nan 8.300 nan 0.000 0.592 203 D N 1.699 122.244 120.400 0.241 0.000 2.194 203 D HA 0.084 4.715 4.640 -0.015 0.000 0.204 203 D C 0.418 176.785 176.300 0.113 0.000 0.964 203 D CA 0.928 55.015 54.000 0.146 0.000 0.846 203 D CB 0.284 41.154 40.800 0.117 0.000 0.962 203 D HN 0.448 nan 8.370 nan 0.000 0.490 204 A N -0.258 122.644 122.820 0.136 0.000 2.606 204 A HA 0.695 5.006 4.320 -0.015 0.000 0.293 204 A C -1.626 176.011 177.584 0.088 0.000 1.082 204 A CA -0.302 51.786 52.037 0.084 0.000 0.685 204 A CB 1.904 20.934 19.000 0.050 0.000 1.284 204 A HN 0.062 nan 8.150 nan 0.000 0.408 205 A N 0.607 123.435 122.820 0.013 0.000 2.475 205 A HA 0.841 5.152 4.320 -0.015 0.000 0.301 205 A C -1.148 176.400 177.584 -0.061 0.000 1.059 205 A CA -0.375 51.637 52.037 -0.042 0.000 0.710 205 A CB 0.941 19.869 19.000 -0.120 0.000 1.288 205 A HN 0.893 nan 8.150 nan 0.000 0.408 206 I N 1.939 122.472 120.570 -0.062 0.000 2.499 206 I HA 0.273 4.434 4.170 -0.015 0.000 0.288 206 I C -0.580 175.479 176.117 -0.096 0.000 1.048 206 I CA -0.798 60.461 61.300 -0.069 0.000 1.062 206 I CB 2.173 40.164 38.000 -0.014 0.000 1.238 206 I HN 0.658 nan 8.210 nan 0.000 0.426 207 N N 5.520 124.101 118.700 -0.199 0.000 2.437 207 N HA 0.048 4.779 4.740 -0.015 0.000 0.243 207 N C 0.480 175.895 175.510 -0.158 0.000 1.041 207 N CA -0.224 52.665 53.050 -0.268 0.000 0.940 207 N CB 0.614 38.787 38.487 -0.522 0.000 1.133 207 N HN 0.562 nan 8.380 nan 0.000 0.506 208 Y N 3.327 123.590 120.300 -0.061 0.000 2.497 208 Y HA 0.129 4.671 4.550 -0.014 0.000 0.292 208 Y C 1.282 177.175 175.900 -0.013 0.000 1.137 208 Y CA 0.898 58.980 58.100 -0.030 0.000 1.285 208 Y CB -0.057 38.393 38.460 -0.016 0.000 0.991 208 Y HN 0.352 nan 8.280 nan 0.000 0.556 209 K N 0.652 120.822 120.400 -0.384 0.000 2.167 209 K HA 0.031 4.342 4.320 -0.015 0.000 0.203 209 K C 1.412 177.982 176.600 -0.050 0.000 1.052 209 K CA 1.308 57.481 56.287 -0.190 0.000 0.956 209 K CB 0.015 32.343 32.500 -0.288 0.000 0.735 209 K HN 0.355 nan 8.250 nan 0.000 0.451 210 K N -0.138 120.239 120.400 -0.037 0.000 2.464 210 K HA 0.090 4.401 4.320 -0.015 0.000 0.206 210 K C -0.387 176.239 176.600 0.043 0.000 1.186 210 K CA -0.008 56.306 56.287 0.044 0.000 0.990 210 K CB 0.846 33.459 32.500 0.189 0.000 1.003 210 K HN 0.001 nan 8.250 nan 0.000 0.562 211 D N 1.003 121.404 120.400 0.002 0.000 2.268 211 D HA 0.048 4.679 4.640 -0.015 0.000 0.249 211 D C -0.561 175.748 176.300 0.015 0.000 1.008 211 D CA -0.434 53.567 54.000 0.002 0.000 0.939 211 D CB 0.765 41.542 40.800 -0.038 0.000 1.170 211 D HN -0.124 nan 8.370 nan 0.000 0.468 212 N N 1.167 119.875 118.700 0.013 0.000 2.415 212 N HA 0.014 4.745 4.740 -0.015 0.000 0.250 212 N C 0.826 176.342 175.510 0.009 0.000 1.127 212 N CA -0.042 53.016 53.050 0.013 0.000 0.945 212 N CB 0.780 39.272 38.487 0.009 0.000 1.196 212 N HN 0.073 nan 8.380 nan 0.000 0.499 213 V N 4.014 123.938 119.914 0.017 0.000 2.295 213 V HA -0.238 3.873 4.120 -0.015 0.000 0.246 213 V C 2.402 178.491 176.094 -0.008 0.000 1.049 213 V CA 2.185 64.492 62.300 0.011 0.000 1.024 213 V CB -0.988 30.851 31.823 0.026 0.000 0.648 213 V HN 0.743 nan 8.190 nan 0.000 0.447 214 A N 1.002 123.816 122.820 -0.010 0.000 1.883 214 A HA -0.287 4.024 4.320 -0.015 0.000 0.217 214 A C 2.276 179.851 177.584 -0.016 0.000 1.186 214 A CA 2.162 54.188 52.037 -0.019 0.000 0.624 214 A CB -0.557 18.433 19.000 -0.016 0.000 0.822 214 A HN 0.792 nan 8.150 nan 0.000 0.444 215 E N -1.168 119.027 120.200 -0.009 0.000 2.152 215 E HA -0.194 4.147 4.350 -0.015 0.000 0.192 215 E C 1.786 178.382 176.600 -0.008 0.000 0.983 215 E CA 0.965 57.360 56.400 -0.008 0.000 0.818 215 E CB -0.372 29.326 29.700 -0.004 0.000 0.758 215 E HN 0.597 nan 8.360 nan 0.000 0.467 216 Q N 0.793 120.588 119.800 -0.008 0.000 2.119 216 Q HA -0.040 4.291 4.340 -0.015 0.000 0.201 216 Q C 2.438 178.432 176.000 -0.010 0.000 0.972 216 Q CA 0.903 56.701 55.803 -0.008 0.000 0.847 216 Q CB -0.120 28.613 28.738 -0.010 0.000 0.903 216 Q HN 0.433 nan 8.270 nan 0.000 0.433 217 L N 0.043 121.256 121.223 -0.017 0.000 2.093 217 L HA -0.140 4.191 4.340 -0.015 0.000 0.208 217 L C 2.610 179.467 176.870 -0.022 0.000 1.085 217 L CA 0.900 55.726 54.840 -0.025 0.000 0.755 217 L CB -0.251 41.781 42.059 -0.044 0.000 0.904 217 L HN 0.160 nan 8.230 nan 0.000 0.435 218 R N -0.024 120.465 120.500 -0.019 0.000 2.096 218 R HA -0.183 4.148 4.340 -0.015 0.000 0.235 218 R C 2.504 178.798 176.300 -0.010 0.000 1.127 218 R CA 1.728 57.819 56.100 -0.016 0.000 0.968 218 R CB -0.386 29.906 30.300 -0.014 0.000 0.861 218 R HN 0.480 nan 8.270 nan 0.000 0.440 219 E N 0.584 120.779 120.200 -0.008 0.000 2.072 219 E HA -0.123 4.218 4.350 -0.015 0.000 0.190 219 E C 1.785 178.384 176.600 -0.001 0.000 0.982 219 E CA 1.415 57.813 56.400 -0.004 0.000 0.803 219 E CB -0.450 29.249 29.700 -0.002 0.000 0.755 219 E HN 0.526 nan 8.360 nan 0.000 0.453 220 S N -1.627 114.073 115.700 -0.001 0.000 2.501 220 S HA 0.098 4.559 4.470 -0.015 0.000 0.220 220 S C 1.132 175.733 174.600 0.002 0.000 0.997 220 S CA 0.448 58.651 58.200 0.005 0.000 0.919 220 S CB -0.352 62.854 63.200 0.010 0.000 0.778 220 S HN 0.489 nan 8.310 nan 0.000 0.523 221 C N 3.775 123.071 119.300 -0.006 0.000 3.094 221 C HA 0.497 4.948 4.460 -0.015 0.000 0.262 221 C C -1.361 173.623 174.990 -0.011 0.000 1.459 221 C CA -1.433 57.579 59.018 -0.010 0.000 1.570 221 C CB 0.344 28.072 27.740 -0.020 0.000 2.056 221 C HN 0.459 nan 8.230 nan 0.000 0.499 222 P HA -0.065 nan 4.420 nan 0.000 0.225 222 P C 0.975 178.271 177.300 -0.007 0.000 1.148 222 P CA 1.313 64.409 63.100 -0.006 0.000 0.779 222 P CB 0.320 32.018 31.700 -0.003 0.000 0.780 223 A N -0.646 122.170 122.820 -0.007 0.000 2.460 223 A HA 0.573 4.884 4.320 -0.015 0.000 0.258 223 A C 1.011 178.589 177.584 -0.010 0.000 1.300 223 A CA 0.247 52.280 52.037 -0.007 0.000 0.913 223 A CB -0.828 18.170 19.000 -0.003 0.000 1.031 223 A HN 0.357 nan 8.150 nan 0.000 0.512 224 G N -1.369 107.422 108.800 -0.014 0.000 2.782 224 G HA2 -0.007 3.944 3.960 -0.015 0.000 0.228 224 G HA3 -0.007 3.944 3.960 -0.015 0.000 0.228 224 G C -0.531 174.357 174.900 -0.019 0.000 1.372 224 G CA -0.387 44.701 45.100 -0.020 0.000 0.862 224 G HN 0.970 nan 8.290 nan 0.000 0.547 225 V N 1.067 120.967 119.914 -0.024 0.000 2.384 225 V HA 0.445 4.556 4.120 -0.015 0.000 0.287 225 V C 0.372 176.469 176.094 0.005 0.000 1.020 225 V CA -0.043 62.247 62.300 -0.016 0.000 0.850 225 V CB 1.696 33.494 31.823 -0.042 0.000 0.987 225 V HN 0.787 nan 8.190 nan 0.000 0.436 226 D N 2.538 122.952 120.400 0.023 0.000 2.324 226 D HA 0.111 4.742 4.640 -0.015 0.000 0.212 226 D C 0.176 176.529 176.300 0.089 0.000 0.984 226 D CA 1.061 55.089 54.000 0.046 0.000 0.885 226 D CB 1.394 42.221 40.800 0.044 0.000 0.996 226 D HN 0.366 nan 8.370 nan 0.000 0.505 227 V N 1.209 121.179 119.914 0.094 0.000 2.686 227 V HA 0.207 4.318 4.120 -0.015 0.000 0.306 227 V C -1.395 174.815 176.094 0.193 0.000 1.065 227 V CA -1.002 61.380 62.300 0.137 0.000 0.894 227 V CB 2.441 34.324 31.823 0.100 0.000 1.004 227 V HN 0.002 nan 8.190 nan 0.000 0.424 228 Y N 5.237 125.564 120.300 0.045 0.000 2.376 228 Y HA 0.550 5.090 4.550 -0.017 0.000 0.326 228 Y C -0.994 174.939 175.900 0.055 0.000 0.970 228 Y CA -2.341 55.788 58.100 0.048 0.000 1.248 228 Y CB 1.373 39.845 38.460 0.020 0.000 1.117 228 Y HN 0.620 nan 8.280 nan 0.000 0.476 229 F N 6.602 126.524 119.950 -0.046 0.000 2.405 229 F HA 0.247 4.765 4.527 -0.014 0.000 0.358 229 F C -0.119 175.433 175.800 -0.413 0.000 1.151 229 F CA -0.238 57.642 58.000 -0.199 0.000 1.161 229 F CB 0.152 39.099 39.000 -0.089 0.000 1.245 229 F HN 0.477 nan 8.300 nan 0.000 0.545 230 D N 4.751 124.706 120.400 -0.742 0.000 2.373 230 D HA 0.164 4.795 4.640 -0.015 0.000 0.227 230 D C 0.197 176.344 176.300 -0.256 0.000 1.091 230 D CA -0.085 53.466 54.000 -0.750 0.000 0.840 230 D CB 0.640 40.886 40.800 -0.923 0.000 1.060 230 D HN 0.468 nan 8.370 nan 0.000 0.502 231 N N 2.391 121.073 118.700 -0.031 0.000 2.282 231 N HA -0.002 4.729 4.740 -0.015 0.000 0.185 231 N C 1.380 176.889 175.510 -0.000 0.000 1.099 231 N CA 0.485 53.574 53.050 0.064 0.000 0.878 231 N CB 1.172 39.750 38.487 0.152 0.000 0.993 231 N HN 0.453 nan 8.380 nan 0.000 0.481 232 V N -3.907 115.991 119.914 -0.028 0.000 3.250 232 V HA 0.505 4.616 4.120 -0.015 0.000 0.240 232 V C 1.135 177.190 176.094 -0.065 0.000 1.275 232 V CA 0.725 62.980 62.300 -0.076 0.000 1.206 232 V CB -0.059 31.705 31.823 -0.099 0.000 0.976 232 V HN 0.181 nan 8.190 nan 0.000 0.467 233 G N 0.462 109.258 108.800 -0.006 0.000 2.601 233 G HA2 0.250 4.201 3.960 -0.015 0.000 0.252 233 G HA3 0.250 4.201 3.960 -0.015 0.000 0.252 233 G C 1.088 175.988 174.900 0.000 0.000 1.294 233 G CA 0.391 45.501 45.100 0.017 0.000 0.912 233 G HN 2.409 nan 8.290 nan 0.000 0.574 234 G N -0.828 107.973 108.800 0.002 0.000 2.564 234 G HA2 -0.065 3.886 3.960 -0.015 0.000 0.273 234 G HA3 -0.065 3.886 3.960 -0.015 0.000 0.273 234 G C 1.051 175.945 174.900 -0.010 0.000 1.242 234 G CA 1.931 47.025 45.100 -0.010 0.000 0.951 234 G HN 2.562 nan 8.290 nan 0.000 0.564 235 N N 0.136 118.822 118.700 -0.023 0.000 2.223 235 N HA 0.020 4.751 4.740 -0.015 0.000 0.185 235 N C 2.273 177.765 175.510 -0.030 0.000 1.016 235 N CA 2.228 55.267 53.050 -0.020 0.000 0.863 235 N CB -0.178 38.301 38.487 -0.013 0.000 0.983 235 N HN 0.678 nan 8.380 nan 0.000 0.429 236 I N 0.140 120.676 120.570 -0.057 0.000 2.179 236 I HA -0.229 3.932 4.170 -0.015 0.000 0.242 236 I C 2.008 178.109 176.117 -0.028 0.000 1.088 236 I CA 1.064 62.327 61.300 -0.062 0.000 1.357 236 I CB -0.338 37.584 38.000 -0.130 0.000 1.051 236 I HN 0.220 nan 8.210 nan 0.000 0.409 237 S N 0.280 116.010 115.700 0.049 0.000 2.383 237 S HA -0.178 4.283 4.470 -0.015 0.000 0.227 237 S C 1.582 176.195 174.600 0.023 0.000 1.026 237 S CA 1.264 59.549 58.200 0.142 0.000 0.981 237 S CB -0.333 63.022 63.200 0.259 0.000 0.818 237 S HN 0.416 nan 8.310 nan 0.000 0.472 238 D N 1.358 121.763 120.400 0.008 0.000 2.133 238 D HA -0.090 4.541 4.640 -0.015 0.000 0.195 238 D C 2.056 178.330 176.300 -0.043 0.000 0.997 238 D CA 1.433 55.426 54.000 -0.012 0.000 0.840 238 D CB -0.762 40.033 40.800 -0.008 0.000 0.947 238 D HN 0.321 nan 8.370 nan 0.000 0.452 239 T N 0.339 114.859 114.554 -0.058 0.000 2.777 239 T HA -0.074 4.267 4.350 -0.015 0.000 0.266 239 T C 2.253 176.880 174.700 -0.123 0.000 1.040 239 T CA 0.786 62.843 62.100 -0.072 0.000 1.141 239 T CB -0.271 68.563 68.868 -0.057 0.000 0.868 239 T HN -0.022 nan 8.240 nan 0.000 0.444 240 V N 1.424 121.207 119.914 -0.217 0.000 2.307 240 V HA -0.108 4.003 4.120 -0.015 0.000 0.245 240 V C 2.393 178.331 176.094 -0.260 0.000 1.045 240 V CA 1.376 63.460 62.300 -0.361 0.000 1.024 240 V CB -0.645 30.647 31.823 -0.885 0.000 0.651 240 V HN 0.468 nan 8.190 nan 0.000 0.449 241 I N 0.377 120.838 120.570 -0.181 0.000 2.264 241 I HA -0.243 3.918 4.170 -0.015 0.000 0.248 241 I C 2.469 178.549 176.117 -0.062 0.000 1.111 241 I CA 1.622 62.879 61.300 -0.073 0.000 1.382 241 I CB -0.434 37.564 38.000 -0.004 0.000 1.060 241 I HN 0.246 nan 8.210 nan 0.000 0.418 242 S N -0.116 115.546 115.700 -0.063 0.000 2.469 242 S HA -0.183 4.278 4.470 -0.015 0.000 0.238 242 S C 1.559 176.129 174.600 -0.050 0.000 0.998 242 S CA 1.074 59.245 58.200 -0.048 0.000 0.957 242 S CB -0.222 62.953 63.200 -0.042 0.000 0.764 242 S HN 0.540 nan 8.310 nan 0.000 0.514 243 Q N -0.198 119.562 119.800 -0.067 0.000 2.198 243 Q HA 0.320 4.651 4.340 -0.015 0.000 0.209 243 Q C -0.336 175.630 176.000 -0.056 0.000 0.848 243 Q CA -0.141 55.626 55.803 -0.059 0.000 0.974 243 Q CB 0.279 28.978 28.738 -0.065 0.000 1.115 243 Q HN 0.509 nan 8.270 nan 0.000 0.494 244 M N 1.027 120.594 119.600 -0.055 0.000 2.250 244 M HA 0.180 4.651 4.480 -0.015 0.000 0.344 244 M C 0.039 176.319 176.300 -0.034 0.000 1.150 244 M CA -0.302 54.973 55.300 -0.041 0.000 1.147 244 M CB 0.668 33.249 32.600 -0.032 0.000 1.498 244 M HN 0.025 nan 8.290 nan 0.000 0.461 245 N N 1.421 120.104 118.700 -0.028 0.000 2.408 245 N HA 0.133 4.864 4.740 -0.015 0.000 0.260 245 N C -0.475 175.011 175.510 -0.041 0.000 1.242 245 N CA -0.264 52.770 53.050 -0.028 0.000 0.959 245 N CB 0.534 39.011 38.487 -0.017 0.000 1.201 245 N HN 0.477 nan 8.380 nan 0.000 0.511 246 E N 1.363 121.540 120.200 -0.038 0.000 2.452 246 E HA -0.060 4.281 4.350 -0.015 0.000 0.261 246 E C 0.081 176.642 176.600 -0.066 0.000 0.987 246 E CA 0.336 56.707 56.400 -0.048 0.000 0.926 246 E CB 0.047 29.726 29.700 -0.035 0.000 0.934 246 E HN 0.402 nan 8.360 nan 0.000 0.452 247 N N 0.060 118.698 118.700 -0.105 0.000 2.741 247 N HA -0.181 4.550 4.740 -0.015 0.000 0.251 247 N C -0.075 175.288 175.510 -0.245 0.000 1.112 247 N CA 1.259 54.212 53.050 -0.161 0.000 0.750 247 N CB -1.774 36.662 38.487 -0.086 0.000 1.119 247 N HN 0.541 nan 8.380 nan 0.000 0.561 248 S N -0.267 115.304 115.700 -0.215 0.000 2.661 248 S HA 0.462 4.923 4.470 -0.015 0.000 0.265 248 S C -0.028 174.324 174.600 -0.414 0.000 1.225 248 S CA -0.318 57.784 58.200 -0.164 0.000 0.986 248 S CB 1.706 64.877 63.200 -0.048 0.000 1.008 248 S HN 0.272 nan 8.310 nan 0.000 0.565 249 H N -0.516 118.558 119.070 0.008 0.000 2.782 249 H HA 0.438 4.991 4.556 -0.006 0.000 0.347 249 H C -1.087 174.260 175.328 0.033 0.000 1.038 249 H CA -0.479 55.577 56.048 0.013 0.000 1.255 249 H CB 1.295 31.082 29.762 0.042 0.000 1.623 249 H HN 0.497 nan 8.280 nan 0.000 0.525 250 I N 4.600 125.230 120.570 0.100 0.000 2.304 250 I HA 0.177 4.338 4.170 -0.015 0.000 0.291 250 I C 0.452 176.530 176.117 -0.064 0.000 1.018 250 I CA -0.430 60.891 61.300 0.034 0.000 1.260 250 I CB 0.958 38.979 38.000 0.035 0.000 1.390 250 I HN 0.331 nan 8.210 nan 0.000 0.475 251 I N 7.368 127.816 120.570 -0.203 0.000 2.294 251 I HA 0.053 4.214 4.170 -0.015 0.000 0.295 251 I C -0.040 175.805 176.117 -0.453 0.000 1.098 251 I CA -0.370 60.702 61.300 -0.381 0.000 1.277 251 I CB 0.566 38.209 38.000 -0.596 0.000 1.434 251 I HN 0.410 nan 8.210 nan 0.000 0.498 252 L N 7.907 128.999 121.223 -0.218 0.000 2.387 252 L HA 0.148 4.479 4.340 -0.015 0.000 0.267 252 L C 0.770 177.640 176.870 -0.001 0.000 1.197 252 L CA 0.489 55.263 54.840 -0.110 0.000 1.070 252 L CB 0.472 42.529 42.059 -0.003 0.000 1.349 252 L HN 0.812 nan 8.230 nan 0.000 0.422 253 C N 2.635 121.847 119.300 -0.148 0.000 2.576 253 C HA 0.613 5.064 4.460 -0.015 0.000 0.281 253 C C 1.242 176.349 174.990 0.195 0.000 1.292 253 C CA 0.643 59.669 59.018 0.014 0.000 1.697 253 C CB -0.702 26.901 27.740 -0.229 0.000 2.109 253 C HN 0.828 nan 8.230 nan 0.000 0.497 254 G N -1.285 107.621 108.800 0.176 0.000 2.687 254 G HA2 0.532 4.483 3.960 -0.015 0.000 0.291 254 G HA3 0.532 4.483 3.960 -0.015 0.000 0.291 254 G C -1.662 173.388 174.900 0.250 0.000 1.420 254 G CA -0.045 45.249 45.100 0.322 0.000 0.796 254 G HN 0.260 nan 8.290 nan 0.000 0.485 255 Q N 0.408 120.396 119.800 0.313 0.000 2.563 255 Q HA 0.216 4.547 4.340 -0.015 0.000 0.367 255 Q C 1.054 176.828 176.000 -0.377 0.000 0.845 255 Q CA -0.389 55.481 55.803 0.111 0.000 1.077 255 Q CB 1.339 30.264 28.738 0.311 0.000 1.409 255 Q HN 0.633 nan 8.270 nan 0.000 0.396 256 I N 0.932 121.082 120.570 -0.699 0.000 2.423 256 I HA -0.309 3.852 4.170 -0.015 0.000 0.254 256 I C 2.033 177.830 176.117 -0.532 0.000 1.151 256 I CA 1.686 62.312 61.300 -1.123 0.000 1.421 256 I CB 0.345 38.020 38.000 -0.542 0.000 1.079 256 I HN 0.276 nan 8.210 nan 0.000 0.431 257 S N -0.024 115.513 115.700 -0.270 0.000 2.440 257 S HA -0.196 4.265 4.470 -0.015 0.000 0.238 257 S C 1.672 176.248 174.600 -0.041 0.000 1.010 257 S CA 0.828 58.952 58.200 -0.127 0.000 0.972 257 S CB -0.222 62.914 63.200 -0.107 0.000 0.774 257 S HN 0.542 nan 8.310 nan 0.000 0.501 258 Q N -0.671 119.127 119.800 -0.003 0.000 2.356 258 Q HA 0.218 4.549 4.340 -0.015 0.000 0.205 258 Q C 0.856 177.034 176.000 0.296 0.000 0.901 258 Q CA 0.259 56.150 55.803 0.146 0.000 0.938 258 Q CB -0.327 28.531 28.738 0.200 0.000 1.081 258 Q HN 0.645 nan 8.270 nan 0.000 0.517 259 Y N 1.167 121.522 120.300 0.091 0.000 2.439 259 Y HA -0.003 4.537 4.550 -0.016 0.000 0.292 259 Y C 1.254 177.199 175.900 0.075 0.000 1.130 259 Y CA 0.222 58.375 58.100 0.089 0.000 1.254 259 Y CB -0.106 38.408 38.460 0.090 0.000 1.000 259 Y HN 0.158 nan 8.280 nan 0.000 0.554 260 N N 0.716 119.547 118.700 0.219 0.000 2.295 260 N HA 0.041 4.772 4.740 -0.015 0.000 0.221 260 N C -0.319 175.256 175.510 0.108 0.000 1.129 260 N CA 0.267 53.404 53.050 0.144 0.000 0.836 260 N CB 0.237 38.793 38.487 0.115 0.000 1.040 260 N HN 0.292 nan 8.380 nan 0.000 0.494 261 K N 0.034 120.504 120.400 0.117 0.000 2.318 261 K HA 0.179 4.490 4.320 -0.015 0.000 0.249 261 K C -0.916 175.732 176.600 0.080 0.000 0.942 261 K CA -0.773 55.566 56.287 0.087 0.000 0.808 261 K CB 1.761 34.312 32.500 0.086 0.000 1.189 261 K HN -0.224 nan 8.250 nan 0.000 0.428 262 D N 2.724 123.159 120.400 0.057 0.000 2.608 262 D HA 0.114 4.745 4.640 -0.015 0.000 0.224 262 D C -0.942 175.386 176.300 0.046 0.000 1.123 262 D CA -0.272 53.754 54.000 0.044 0.000 1.030 262 D CB -0.194 40.625 40.800 0.031 0.000 1.093 262 D HN 0.314 nan 8.370 nan 0.000 0.497 263 V N 0.596 120.548 119.914 0.063 0.000 2.841 263 V HA 0.741 4.852 4.120 -0.015 0.000 0.310 263 V C -2.506 173.632 176.094 0.074 0.000 1.090 263 V CA -1.762 60.575 62.300 0.061 0.000 0.930 263 V CB 1.585 33.448 31.823 0.067 0.000 1.014 263 V HN 0.102 nan 8.190 nan 0.000 0.425 264 P HA 0.293 nan 4.420 nan 0.000 0.272 264 P C -1.609 175.749 177.300 0.097 0.000 1.230 264 P CA 0.026 63.165 63.100 0.065 0.000 0.788 264 P CB 0.655 32.375 31.700 0.034 0.000 0.949 265 Y N 2.430 122.738 120.300 0.014 0.000 2.352 265 Y HA 0.403 4.946 4.550 -0.011 0.000 0.339 265 Y C -1.984 173.941 175.900 0.041 0.000 0.992 265 Y CA -2.104 56.018 58.100 0.037 0.000 1.100 265 Y CB 1.210 39.677 38.460 0.010 0.000 1.192 265 Y HN 0.302 nan 8.280 nan 0.000 0.458 266 P HA 0.309 nan 4.420 nan 0.000 0.282 266 P C -2.921 174.156 177.300 -0.370 0.000 1.249 266 P CA -1.648 60.904 63.100 -0.914 0.000 0.806 266 P CB 0.821 32.142 31.700 -0.633 0.000 0.984 267 P HA 0.286 nan 4.420 nan 0.000 0.279 267 P C -2.301 174.946 177.300 -0.088 0.000 1.239 267 P CA -1.515 61.521 63.100 -0.106 0.000 0.789 267 P CB -0.639 31.040 31.700 -0.034 0.000 0.933 268 P HA 0.223 nan 4.420 nan 0.000 0.276 268 P C -0.363 176.924 177.300 -0.022 0.000 1.244 268 P CA -0.280 62.799 63.100 -0.035 0.000 0.801 268 P CB 0.814 32.501 31.700 -0.021 0.000 1.006 269 L N 0.942 122.156 121.223 -0.016 0.000 2.436 269 L HA 0.157 4.488 4.340 -0.015 0.000 0.265 269 L C 1.468 178.335 176.870 -0.004 0.000 1.168 269 L CA -0.479 54.357 54.840 -0.006 0.000 0.815 269 L CB 0.355 42.413 42.059 -0.002 0.000 1.109 269 L HN 0.528 nan 8.230 nan 0.000 0.462 270 S N 1.695 117.394 115.700 -0.001 0.000 2.569 270 S HA 0.084 4.545 4.470 -0.015 0.000 0.274 270 S C -1.816 172.782 174.600 -0.003 0.000 1.353 270 S CA -0.945 57.255 58.200 -0.001 0.000 1.023 270 S CB 0.527 63.727 63.200 0.000 0.000 0.876 270 S HN 0.440 nan 8.310 nan 0.000 0.540 271 P HA -0.084 nan 4.420 nan 0.000 0.216 271 P C 1.636 178.934 177.300 -0.005 0.000 1.153 271 P CA 2.013 65.111 63.100 -0.003 0.000 0.858 271 P CB -0.302 31.397 31.700 -0.002 0.000 0.789 272 A N -0.629 122.189 122.820 -0.004 0.000 1.902 272 A HA -0.164 4.147 4.320 -0.015 0.000 0.217 272 A C 2.100 179.680 177.584 -0.007 0.000 1.181 272 A CA 1.484 53.517 52.037 -0.006 0.000 0.623 272 A CB -1.356 17.640 19.000 -0.006 0.000 0.818 272 A HN 0.049 nan 8.150 nan 0.000 0.443 273 I N -0.355 120.211 120.570 -0.006 0.000 2.406 273 I HA -0.129 4.032 4.170 -0.015 0.000 0.249 273 I C 2.346 178.459 176.117 -0.006 0.000 1.122 273 I CA 1.453 62.749 61.300 -0.006 0.000 1.431 273 I CB -1.415 36.583 38.000 -0.003 0.000 1.087 273 I HN 0.556 nan 8.210 nan 0.000 0.424 274 E N 1.431 121.628 120.200 -0.006 0.000 2.118 274 E HA -0.214 4.127 4.350 -0.015 0.000 0.195 274 E C 2.300 178.894 176.600 -0.010 0.000 0.992 274 E CA 1.420 57.815 56.400 -0.008 0.000 0.804 274 E CB 0.136 29.831 29.700 -0.007 0.000 0.741 274 E HN 0.414 nan 8.360 nan 0.000 0.458 275 A N 1.209 124.023 122.820 -0.010 0.000 1.883 275 A HA -0.201 4.110 4.320 -0.015 0.000 0.217 275 A C 2.170 179.746 177.584 -0.014 0.000 1.186 275 A CA 1.559 53.590 52.037 -0.011 0.000 0.624 275 A CB -0.716 18.278 19.000 -0.009 0.000 0.822 275 A HN 0.346 nan 8.150 nan 0.000 0.444 276 I N -0.637 119.924 120.570 -0.015 0.000 2.163 276 I HA -0.340 3.821 4.170 -0.015 0.000 0.243 276 I C 2.865 178.969 176.117 -0.022 0.000 1.085 276 I CA 1.925 63.213 61.300 -0.019 0.000 1.347 276 I CB -0.446 37.542 38.000 -0.019 0.000 1.044 276 I HN 0.540 nan 8.210 nan 0.000 0.408 277 Q N 1.475 121.263 119.800 -0.020 0.000 2.061 277 Q HA -0.271 4.060 4.340 -0.015 0.000 0.204 277 Q C 2.179 178.160 176.000 -0.031 0.000 0.984 277 Q CA 1.948 57.736 55.803 -0.025 0.000 0.846 277 Q CB 0.038 28.767 28.738 -0.016 0.000 0.902 277 Q HN 0.497 nan 8.270 nan 0.000 0.421 278 K N -0.140 120.246 120.400 -0.024 0.000 2.057 278 K HA -0.115 4.196 4.320 -0.015 0.000 0.206 278 K C 2.051 178.635 176.600 -0.027 0.000 1.050 278 K CA 1.167 57.439 56.287 -0.024 0.000 0.935 278 K CB 0.001 32.491 32.500 -0.017 0.000 0.715 278 K HN 0.158 nan 8.250 nan 0.000 0.439 279 E N 0.877 121.063 120.200 -0.024 0.000 2.110 279 E HA -0.162 4.179 4.350 -0.015 0.000 0.193 279 E C 1.728 178.310 176.600 -0.029 0.000 0.988 279 E CA 1.222 57.608 56.400 -0.023 0.000 0.804 279 E CB -0.027 29.661 29.700 -0.020 0.000 0.745 279 E HN 0.276 nan 8.360 nan 0.000 0.458 280 R N 0.690 121.168 120.500 -0.036 0.000 2.317 280 R HA 0.038 4.369 4.340 -0.015 0.000 0.208 280 R C 0.279 176.541 176.300 -0.063 0.000 0.914 280 R CA 0.108 56.181 56.100 -0.045 0.000 1.060 280 R CB -0.228 30.046 30.300 -0.044 0.000 1.015 280 R HN 0.040 nan 8.270 nan 0.000 0.498 281 N N 1.306 119.969 118.700 -0.063 0.000 2.738 281 N HA -0.184 4.547 4.740 -0.015 0.000 0.249 281 N C -1.011 174.418 175.510 -0.134 0.000 1.047 281 N CA 0.431 53.432 53.050 -0.082 0.000 0.707 281 N CB -1.220 37.221 38.487 -0.076 0.000 0.937 281 N HN 0.266 nan 8.380 nan 0.000 0.545 282 I N 0.474 120.973 120.570 -0.119 0.000 2.395 282 I HA 0.133 4.294 4.170 -0.015 0.000 0.289 282 I C 0.799 176.830 176.117 -0.143 0.000 1.023 282 I CA -0.354 60.853 61.300 -0.156 0.000 1.350 282 I CB 1.226 39.173 38.000 -0.088 0.000 1.409 282 I HN 0.077 nan 8.210 nan 0.000 0.507 283 T N 6.583 121.007 114.554 -0.218 0.000 2.845 283 T HA 0.359 4.700 4.350 -0.015 0.000 0.288 283 T C 0.110 174.810 174.700 -0.001 0.000 0.980 283 T CA -0.480 61.569 62.100 -0.086 0.000 1.071 283 T CB 0.803 69.659 68.868 -0.021 0.000 0.941 283 T HN 0.515 nan 8.240 nan 0.000 0.487 284 R N 2.630 123.142 120.500 0.020 0.000 2.734 284 R HA 0.217 4.548 4.340 -0.015 0.000 0.268 284 R C -0.852 175.471 176.300 0.039 0.000 1.785 284 R CA -0.307 55.808 56.100 0.025 0.000 1.461 284 R CB 0.528 30.832 30.300 0.007 0.000 1.308 284 R HN 0.659 nan 8.270 nan 0.000 0.586 285 E N 1.906 122.148 120.200 0.070 0.000 2.242 285 E HA 0.248 4.589 4.350 -0.015 0.000 0.275 285 E C -0.627 176.043 176.600 0.117 0.000 1.002 285 E CA -0.964 55.491 56.400 0.092 0.000 0.841 285 E CB 1.961 31.734 29.700 0.122 0.000 1.109 285 E HN 0.241 nan 8.360 nan 0.000 0.394 286 R N 1.943 122.515 120.500 0.120 0.000 2.537 286 R HA 0.104 4.435 4.340 -0.015 0.000 0.280 286 R C -1.157 175.287 176.300 0.241 0.000 1.058 286 R CA 0.067 56.262 56.100 0.159 0.000 1.057 286 R CB 0.315 30.699 30.300 0.140 0.000 0.973 286 R HN 0.394 nan 8.270 nan 0.000 0.438 287 F N 6.048 126.055 119.950 0.095 0.000 2.493 287 F HA 0.406 4.924 4.527 -0.015 0.000 0.329 287 F C -1.668 174.203 175.800 0.119 0.000 1.126 287 F CA -1.215 56.847 58.000 0.103 0.000 0.937 287 F CB 1.200 40.215 39.000 0.025 0.000 1.146 287 F HN 0.316 nan 8.300 nan 0.000 0.442 288 L N 8.140 129.007 121.223 -0.593 0.000 2.372 288 L HA 0.379 4.710 4.340 -0.015 0.000 0.273 288 L C 0.313 176.771 176.870 -0.687 0.000 0.989 288 L CA -0.237 54.265 54.840 -0.564 0.000 0.841 288 L CB 1.330 43.161 42.059 -0.380 0.000 1.225 288 L HN 0.666 nan 8.230 nan 0.000 0.414 289 V N 6.005 125.525 119.914 -0.658 0.000 2.594 289 V HA -0.190 3.921 4.120 -0.015 0.000 0.253 289 V C 1.858 178.014 176.094 0.102 0.000 1.069 289 V CA 1.921 64.076 62.300 -0.241 0.000 1.082 289 V CB -0.104 31.703 31.823 -0.027 0.000 0.680 289 V HN 0.760 nan 8.190 nan 0.000 0.469 290 L N 0.314 121.483 121.223 -0.091 0.000 2.456 290 L HA -0.050 4.281 4.340 -0.015 0.000 0.224 290 L C 1.942 178.664 176.870 -0.247 0.000 1.148 290 L CA 0.766 55.539 54.840 -0.112 0.000 0.825 290 L CB -0.760 41.157 42.059 -0.236 0.000 0.937 290 L HN 0.375 nan 8.230 nan 0.000 0.450 291 N N -0.338 118.169 118.700 -0.321 0.000 2.571 291 N HA -0.111 4.620 4.740 -0.015 0.000 0.189 291 N C 0.154 175.198 175.510 -0.778 0.000 1.154 291 N CA 0.932 53.643 53.050 -0.566 0.000 0.907 291 N CB 0.087 38.152 38.487 -0.703 0.000 0.977 291 N HN 0.409 nan 8.380 nan 0.000 0.449 292 Y N -0.529 119.670 120.300 -0.169 0.000 2.672 292 Y HA 0.324 4.865 4.550 -0.016 0.000 0.272 292 Y C 1.244 176.900 175.900 -0.407 0.000 1.055 292 Y CA -0.600 57.423 58.100 -0.128 0.000 1.151 292 Y CB 0.456 38.963 38.460 0.079 0.000 1.190 292 Y HN -0.203 nan 8.280 nan 0.000 0.574 293 K N 0.650 120.644 120.400 -0.678 0.000 2.211 293 K HA -0.178 4.133 4.320 -0.015 0.000 0.204 293 K C 1.258 177.411 176.600 -0.745 0.000 1.047 293 K CA 1.737 57.189 56.287 -1.391 0.000 0.935 293 K CB -0.042 31.933 32.500 -0.876 0.000 0.728 293 K HN 0.558 nan 8.250 nan 0.000 0.452 294 D N 0.791 120.989 120.400 -0.337 0.000 2.351 294 D HA -0.170 4.461 4.640 -0.015 0.000 0.216 294 D C 0.862 177.140 176.300 -0.037 0.000 0.968 294 D CA 1.093 55.007 54.000 -0.144 0.000 0.899 294 D CB -0.091 40.657 40.800 -0.087 0.000 0.907 294 D HN 0.161 nan 8.370 nan 0.000 0.514 295 K N -0.942 119.474 120.400 0.026 0.000 2.358 295 K HA 0.133 4.444 4.320 -0.015 0.000 0.197 295 K C 0.925 177.705 176.600 0.300 0.000 1.025 295 K CA -0.395 55.987 56.287 0.158 0.000 1.104 295 K CB 0.209 32.826 32.500 0.195 0.000 0.855 295 K HN -0.030 nan 8.250 nan 0.000 0.531 296 F N 1.983 121.957 119.950 0.040 0.000 2.206 296 F HA -0.072 4.446 4.527 -0.016 0.000 0.298 296 F C 2.329 178.146 175.800 0.027 0.000 1.090 296 F CA 0.787 58.806 58.000 0.033 0.000 1.323 296 F CB -0.599 38.413 39.000 0.018 0.000 1.028 296 F HN 0.190 nan 8.300 nan 0.000 0.492 297 E N 0.954 121.281 120.200 0.213 0.000 2.017 297 E HA -0.181 4.160 4.350 -0.015 0.000 0.193 297 E C -0.578 176.069 176.600 0.079 0.000 0.997 297 E CA 1.600 58.072 56.400 0.120 0.000 0.804 297 E CB -0.993 28.755 29.700 0.080 0.000 0.757 297 E HN 0.112 nan 8.360 nan 0.000 0.448 298 P HA -0.124 nan 4.420 nan 0.000 0.216 298 P C 1.482 178.778 177.300 -0.007 0.000 1.150 298 P CA 1.859 64.968 63.100 0.016 0.000 0.837 298 P CB -0.330 31.379 31.700 0.015 0.000 0.786 299 G N 0.948 109.774 108.800 0.044 0.000 2.459 299 G HA2 -0.224 3.727 3.960 -0.015 0.000 0.217 299 G HA3 -0.224 3.727 3.960 -0.015 0.000 0.217 299 G C 1.585 176.480 174.900 -0.009 0.000 1.183 299 G CA 0.584 45.697 45.100 0.020 0.000 0.776 299 G HN 0.120 nan 8.290 nan 0.000 0.552 300 I N 0.973 121.563 120.570 0.033 0.000 2.226 300 I HA -0.092 4.069 4.170 -0.015 0.000 0.245 300 I C 2.891 179.024 176.117 0.026 0.000 1.100 300 I CA 0.892 62.223 61.300 0.052 0.000 1.374 300 I CB -1.084 36.983 38.000 0.113 0.000 1.057 300 I HN 0.166 nan 8.210 nan 0.000 0.413 301 L N -0.042 121.184 121.223 0.005 0.000 2.083 301 L HA -0.259 4.072 4.340 -0.015 0.000 0.209 301 L C 2.640 179.434 176.870 -0.126 0.000 1.083 301 L CA 1.307 56.131 54.840 -0.028 0.000 0.752 301 L CB -0.591 41.453 42.059 -0.025 0.000 0.899 301 L HN 0.268 nan 8.230 nan 0.000 0.433 302 Q N 0.529 120.196 119.800 -0.222 0.000 2.079 302 Q HA -0.150 4.181 4.340 -0.015 0.000 0.200 302 Q C 2.154 177.838 176.000 -0.527 0.000 0.974 302 Q CA 1.605 57.101 55.803 -0.513 0.000 0.840 302 Q CB -0.267 28.083 28.738 -0.646 0.000 0.898 302 Q HN 0.429 nan 8.270 nan 0.000 0.430 303 L N -0.229 120.872 121.223 -0.203 0.000 2.017 303 L HA -0.173 4.158 4.340 -0.015 0.000 0.208 303 L C 2.586 179.522 176.870 0.109 0.000 1.073 303 L CA 1.469 56.343 54.840 0.056 0.000 0.745 303 L CB -0.794 41.308 42.059 0.073 0.000 0.894 303 L HN 0.271 nan 8.230 nan 0.000 0.432 304 S N -0.638 115.094 115.700 0.055 0.000 2.359 304 S HA -0.310 4.151 4.470 -0.015 0.000 0.224 304 S C 2.039 176.717 174.600 0.130 0.000 1.035 304 S CA 1.912 60.190 58.200 0.129 0.000 1.018 304 S CB -0.195 63.059 63.200 0.091 0.000 0.876 304 S HN 0.477 nan 8.310 nan 0.000 0.448 305 Q N -0.945 118.848 119.800 -0.012 0.000 2.084 305 Q HA -0.144 4.187 4.340 -0.015 0.000 0.202 305 Q C 1.902 177.923 176.000 0.035 0.000 0.978 305 Q CA 1.778 57.550 55.803 -0.053 0.000 0.844 305 Q CB -0.297 28.336 28.738 -0.174 0.000 0.898 305 Q HN 0.707 nan 8.270 nan 0.000 0.426 306 W N 0.005 121.290 121.300 -0.026 0.000 2.363 306 W HA -0.183 4.468 4.660 -0.015 0.000 0.296 306 W C 2.100 178.613 176.519 -0.010 0.000 1.212 306 W CA 0.578 57.868 57.345 -0.092 0.000 1.260 306 W CB -1.190 28.209 29.460 -0.101 0.000 1.131 306 W HN 0.286 nan 8.180 nan 0.000 0.530 307 F N 1.805 121.852 119.950 0.162 0.000 2.102 307 F HA -0.186 4.332 4.527 -0.015 0.000 0.298 307 F C 2.131 177.950 175.800 0.033 0.000 1.105 307 F CA 2.007 60.042 58.000 0.060 0.000 1.239 307 F CB -0.594 38.409 39.000 0.005 0.000 0.991 307 F HN -0.250 nan 8.300 nan 0.000 0.474 308 K N 0.072 120.328 120.400 -0.241 0.000 2.211 308 K HA -0.136 4.175 4.320 -0.015 0.000 0.203 308 K C 1.826 178.288 176.600 -0.229 0.000 1.050 308 K CA 1.503 57.575 56.287 -0.358 0.000 0.945 308 K CB -0.246 32.169 32.500 -0.140 0.000 0.732 308 K HN 0.416 nan 8.250 nan 0.000 0.451 309 E N -0.414 119.718 120.200 -0.113 0.000 2.418 309 E HA -0.055 4.286 4.350 -0.015 0.000 0.197 309 E C 0.861 177.402 176.600 -0.099 0.000 1.026 309 E CA 0.435 56.788 56.400 -0.079 0.000 0.862 309 E CB 0.167 29.855 29.700 -0.021 0.000 0.799 309 E HN 0.496 nan 8.360 nan 0.000 0.518 310 G N 1.288 110.009 108.800 -0.132 0.000 2.159 310 G HA2 -0.344 3.607 3.960 -0.015 0.000 0.256 310 G HA3 -0.344 3.607 3.960 -0.015 0.000 0.256 310 G C 0.845 175.719 174.900 -0.043 0.000 0.977 310 G CA 0.730 45.770 45.100 -0.100 0.000 0.652 310 G HN 0.246 nan 8.290 nan 0.000 0.531 311 K N -1.171 119.199 120.400 -0.049 0.000 2.099 311 K HA 0.274 4.585 4.320 -0.015 0.000 0.203 311 K C 1.060 177.736 176.600 0.127 0.000 1.047 311 K CA 0.519 56.752 56.287 -0.090 0.000 0.963 311 K CB 0.198 32.412 32.500 -0.477 0.000 0.759 311 K HN 0.320 nan 8.250 nan 0.000 0.451 312 L N 2.568 123.908 121.223 0.194 0.000 2.278 312 L HA 0.129 4.460 4.340 -0.015 0.000 0.287 312 L C -0.932 176.064 176.870 0.209 0.000 1.072 312 L CA -0.084 54.945 54.840 0.315 0.000 0.819 312 L CB 0.558 42.852 42.059 0.391 0.000 1.176 312 L HN -0.141 nan 8.230 nan 0.000 0.435 313 K N 7.163 127.638 120.400 0.125 0.000 2.211 313 K HA 0.446 4.757 4.320 -0.015 0.000 0.275 313 K C -0.711 175.870 176.600 -0.031 0.000 1.024 313 K CA -0.172 56.152 56.287 0.061 0.000 0.887 313 K CB 1.413 33.940 32.500 0.044 0.000 1.084 313 K HN 0.609 nan 8.250 nan 0.000 0.463 314 I N 3.935 124.432 120.570 -0.122 0.000 2.339 314 I HA 0.208 4.369 4.170 -0.015 0.000 0.290 314 I C 0.057 176.026 176.117 -0.247 0.000 0.994 314 I CA -0.812 60.286 61.300 -0.336 0.000 1.191 314 I CB 1.066 38.539 38.000 -0.878 0.000 1.343 314 I HN 0.101 nan 8.210 nan 0.000 0.458 315 K N 6.832 127.128 120.400 -0.173 0.000 2.207 315 K HA 0.591 4.902 4.320 -0.015 0.000 0.255 315 K C -0.584 175.971 176.600 -0.075 0.000 0.941 315 K CA -0.562 55.668 56.287 -0.095 0.000 0.825 315 K CB 2.316 34.777 32.500 -0.065 0.000 1.119 315 K HN 0.733 nan 8.250 nan 0.000 0.430 316 E N -0.250 119.936 120.200 -0.024 0.000 2.413 316 E HA 0.493 4.834 4.350 -0.015 0.000 0.277 316 E C -1.199 175.411 176.600 0.017 0.000 0.958 316 E CA -0.895 55.509 56.400 0.007 0.000 0.779 316 E CB 1.635 31.367 29.700 0.053 0.000 1.278 316 E HN 0.197 nan 8.360 nan 0.000 0.456 317 T N 1.280 115.844 114.554 0.017 0.000 2.815 317 T HA 0.386 4.727 4.350 -0.015 0.000 0.289 317 T C -0.881 173.832 174.700 0.022 0.000 1.000 317 T CA -0.569 61.541 62.100 0.016 0.000 0.958 317 T CB 1.145 70.017 68.868 0.007 0.000 0.944 317 T HN 0.336 nan 8.240 nan 0.000 0.442 318 V N 4.681 124.612 119.914 0.029 0.000 2.398 318 V HA 0.555 4.666 4.120 -0.015 0.000 0.286 318 V C -0.157 175.949 176.094 0.020 0.000 1.026 318 V CA -0.865 61.457 62.300 0.036 0.000 0.868 318 V CB 1.428 33.288 31.823 0.062 0.000 0.982 318 V HN 0.781 nan 8.190 nan 0.000 0.443 319 I N 4.842 125.415 120.570 0.006 0.000 2.460 319 I HA 0.532 4.693 4.170 -0.015 0.000 0.298 319 I C -0.152 175.951 176.117 -0.023 0.000 0.989 319 I CA -0.055 61.238 61.300 -0.012 0.000 1.173 319 I CB 1.693 39.678 38.000 -0.026 0.000 1.338 319 I HN 0.539 nan 8.210 nan 0.000 0.456 320 N N 5.269 123.952 118.700 -0.028 0.000 2.456 320 N HA 0.698 5.429 4.740 -0.015 0.000 0.288 320 N C -0.440 175.033 175.510 -0.062 0.000 1.059 320 N CA 0.179 53.202 53.050 -0.045 0.000 0.946 320 N CB 1.593 40.059 38.487 -0.035 0.000 1.150 320 N HN 0.955 nan 8.380 nan 0.000 0.479 321 G N 0.534 109.283 108.800 -0.085 0.000 3.067 321 G HA2 -0.185 3.766 3.960 -0.015 0.000 0.686 321 G HA3 -0.185 3.766 3.960 -0.015 0.000 0.686 321 G C 0.432 175.267 174.900 -0.108 0.000 1.119 321 G CA -0.675 44.373 45.100 -0.086 0.000 0.790 321 G HN 0.486 nan 8.290 nan 0.000 0.605 322 L N 1.382 122.539 121.223 -0.109 0.000 2.127 322 L HA -0.017 4.314 4.340 -0.015 0.000 0.211 322 L C 2.912 179.723 176.870 -0.098 0.000 1.089 322 L CA 2.842 57.607 54.840 -0.125 0.000 0.757 322 L CB -0.219 41.790 42.059 -0.083 0.000 0.899 322 L HN 0.877 nan 8.230 nan 0.000 0.434 323 E N -1.235 118.928 120.200 -0.061 0.000 2.331 323 E HA -0.245 4.096 4.350 -0.015 0.000 0.199 323 E C 0.742 177.318 176.600 -0.040 0.000 1.008 323 E CA 1.270 57.649 56.400 -0.034 0.000 0.843 323 E CB -0.649 29.038 29.700 -0.020 0.000 0.761 323 E HN 0.591 nan 8.360 nan 0.000 0.507 324 N N 0.015 118.672 118.700 -0.072 0.000 2.270 324 N HA 0.092 4.823 4.740 -0.015 0.000 0.198 324 N C 1.255 176.689 175.510 -0.127 0.000 1.117 324 N CA -0.023 52.985 53.050 -0.071 0.000 0.845 324 N CB 0.179 38.632 38.487 -0.058 0.000 0.980 324 N HN 0.133 nan 8.380 nan 0.000 0.486 325 M N 0.238 119.709 119.600 -0.215 0.000 2.080 325 M HA -0.055 4.416 4.480 -0.015 0.000 0.260 325 M C 2.213 178.323 176.300 -0.316 0.000 1.068 325 M CA 1.273 56.330 55.300 -0.405 0.000 1.109 325 M CB -1.577 30.628 32.600 -0.658 0.000 1.342 325 M HN 0.123 nan 8.290 nan 0.000 0.405 326 G N -0.311 108.353 108.800 -0.227 0.000 2.421 326 G HA2 -0.089 3.862 3.960 -0.015 0.000 0.216 326 G HA3 -0.089 3.862 3.960 -0.015 0.000 0.216 326 G C 1.662 176.628 174.900 0.110 0.000 1.171 326 G CA 1.378 46.426 45.100 -0.087 0.000 0.775 326 G HN 0.563 nan 8.290 nan 0.000 0.543 327 A N 1.100 123.957 122.820 0.062 0.000 1.933 327 A HA 0.268 4.579 4.320 -0.015 0.000 0.218 327 A C 2.808 180.418 177.584 0.044 0.000 1.175 327 A CA 2.261 54.336 52.037 0.063 0.000 0.628 327 A CB -0.743 18.276 19.000 0.032 0.000 0.814 327 A HN 0.792 nan 8.150 nan 0.000 0.444 328 A N -1.248 121.576 122.820 0.006 0.000 1.902 328 A HA -0.037 4.274 4.320 -0.015 0.000 0.217 328 A C 2.081 179.701 177.584 0.059 0.000 1.181 328 A CA 1.498 53.537 52.037 0.002 0.000 0.623 328 A CB -0.701 18.266 19.000 -0.055 0.000 0.818 328 A HN 0.677 nan 8.150 nan 0.000 0.443 329 F N 0.227 120.156 119.950 -0.035 0.000 2.102 329 F HA -0.206 4.312 4.527 -0.015 0.000 0.298 329 F C 2.585 178.452 175.800 0.112 0.000 1.105 329 F CA 2.175 60.210 58.000 0.059 0.000 1.239 329 F CB -0.092 38.963 39.000 0.092 0.000 0.991 329 F HN 0.268 nan 8.300 nan 0.000 0.474 330 Q N 0.242 120.074 119.800 0.054 0.000 2.061 330 Q HA -0.227 4.104 4.340 -0.015 0.000 0.204 330 Q C 2.427 178.382 176.000 -0.074 0.000 0.984 330 Q CA 2.035 57.828 55.803 -0.017 0.000 0.846 330 Q CB -0.673 28.133 28.738 0.114 0.000 0.902 330 Q HN 0.474 nan 8.270 nan 0.000 0.421 331 S N -0.011 115.671 115.700 -0.031 0.000 2.356 331 S HA -0.138 4.323 4.470 -0.015 0.000 0.223 331 S C 1.930 176.498 174.600 -0.053 0.000 1.032 331 S CA 1.537 59.721 58.200 -0.028 0.000 1.005 331 S CB -0.312 62.883 63.200 -0.008 0.000 0.867 331 S HN 0.480 nan 8.310 nan 0.000 0.449 332 M N 0.595 120.150 119.600 -0.075 0.000 2.117 332 M HA -0.042 4.429 4.480 -0.015 0.000 0.262 332 M C 1.774 178.008 176.300 -0.110 0.000 1.065 332 M CA 1.710 56.969 55.300 -0.069 0.000 1.114 332 M CB -0.823 31.758 32.600 -0.032 0.000 1.361 332 M HN 0.334 nan 8.290 nan 0.000 0.408 333 M N 0.279 119.738 119.600 -0.236 0.000 2.374 333 M HA -0.076 4.395 4.480 -0.015 0.000 0.264 333 M C 1.563 177.811 176.300 -0.087 0.000 1.067 333 M CA 1.697 56.870 55.300 -0.212 0.000 1.103 333 M CB -1.522 30.854 32.600 -0.374 0.000 1.402 333 M HN 0.482 nan 8.290 nan 0.000 0.444 334 T N -3.919 110.597 114.554 -0.062 0.000 3.174 334 T HA 0.485 4.826 4.350 -0.015 0.000 0.269 334 T C 1.127 175.826 174.700 -0.001 0.000 1.017 334 T CA 0.375 62.466 62.100 -0.015 0.000 0.899 334 T CB 0.079 68.943 68.868 -0.008 0.000 1.077 334 T HN 0.529 nan 8.240 nan 0.000 0.552 335 G N 0.470 109.268 108.800 -0.005 0.000 2.141 335 G HA2 -0.187 3.764 3.960 -0.015 0.000 0.242 335 G HA3 -0.187 3.764 3.960 -0.015 0.000 0.242 335 G C 1.051 175.948 174.900 -0.005 0.000 0.982 335 G CA -0.076 45.028 45.100 0.007 0.000 0.662 335 G HN 0.894 nan 8.290 nan 0.000 0.527 336 G N 0.505 109.299 108.800 -0.010 0.000 2.471 336 G HA2 0.056 4.007 3.960 -0.015 0.000 0.219 336 G HA3 0.056 4.007 3.960 -0.015 0.000 0.219 336 G C 0.788 175.683 174.900 -0.008 0.000 1.125 336 G CA 0.896 45.990 45.100 -0.009 0.000 0.775 336 G HN 1.007 nan 8.290 nan 0.000 0.548 337 N N 0.334 119.030 118.700 -0.006 0.000 2.499 337 N HA 0.298 5.029 4.740 -0.015 0.000 0.281 337 N C -0.895 174.609 175.510 -0.009 0.000 1.098 337 N CA -0.413 52.635 53.050 -0.003 0.000 0.979 337 N CB 1.850 40.340 38.487 0.005 0.000 1.121 337 N HN 0.029 nan 8.380 nan 0.000 0.466 338 I N 1.186 121.749 120.570 -0.013 0.000 2.339 338 I HA 0.353 4.514 4.170 -0.015 0.000 0.290 338 I C 1.257 177.360 176.117 -0.024 0.000 0.994 338 I CA -0.260 61.025 61.300 -0.024 0.000 1.191 338 I CB 1.034 39.016 38.000 -0.029 0.000 1.343 338 I HN 0.906 nan 8.210 nan 0.000 0.458 339 G N 5.701 114.482 108.800 -0.031 0.000 2.575 339 G HA2 -0.315 3.636 3.960 -0.015 0.000 0.267 339 G HA3 -0.315 3.636 3.960 -0.015 0.000 0.267 339 G C -0.143 174.751 174.900 -0.010 0.000 1.264 339 G CA -0.262 44.819 45.100 -0.031 0.000 0.935 339 G HN 0.678 nan 8.290 nan 0.000 0.568 340 K N 0.571 120.965 120.400 -0.011 0.000 2.379 340 K HA 0.501 4.812 4.320 -0.015 0.000 0.284 340 K C 0.404 177.018 176.600 0.022 0.000 1.044 340 K CA 0.190 56.485 56.287 0.014 0.000 0.974 340 K CB 1.009 33.514 32.500 0.007 0.000 0.962 340 K HN 0.689 nan 8.250 nan 0.000 0.474 341 Q N 4.574 124.396 119.800 0.037 0.000 2.293 341 Q HA 0.259 4.590 4.340 -0.015 0.000 0.263 341 Q C -0.885 175.133 176.000 0.030 0.000 1.002 341 Q CA 0.115 55.937 55.803 0.032 0.000 0.910 341 Q CB 0.378 29.140 28.738 0.040 0.000 1.185 341 Q HN 0.541 nan 8.270 nan 0.000 0.401 342 I N 4.455 125.035 120.570 0.017 0.000 2.608 342 I HA 0.409 4.570 4.170 -0.015 0.000 0.295 342 I C -0.855 175.267 176.117 0.008 0.000 1.049 342 I CA -0.917 60.392 61.300 0.016 0.000 1.063 342 I CB 2.044 40.051 38.000 0.012 0.000 1.248 342 I HN 0.356 nan 8.210 nan 0.000 0.424 343 V N 4.272 124.176 119.914 -0.017 0.000 2.378 343 V HA 0.248 4.359 4.120 -0.015 0.000 0.288 343 V C -0.026 176.062 176.094 -0.010 0.000 1.016 343 V CA -0.708 61.556 62.300 -0.060 0.000 0.840 343 V CB 1.804 33.511 31.823 -0.192 0.000 0.994 343 V HN 0.899 nan 8.190 nan 0.000 0.431 344 C N 6.775 126.077 119.300 0.002 0.000 2.464 344 C HA 0.385 4.836 4.460 -0.015 0.000 0.370 344 C C 1.531 176.384 174.990 -0.229 0.000 1.267 344 C CA -0.336 58.596 59.018 -0.142 0.000 1.781 344 C CB -0.958 26.747 27.740 -0.058 0.000 2.431 344 C HN 0.788 nan 8.230 nan 0.000 0.556 345 I N 4.189 124.562 120.570 -0.329 0.000 3.265 345 I HA 0.131 4.292 4.170 -0.015 0.000 0.282 345 I C 1.379 177.376 176.117 -0.199 0.000 1.207 345 I CA 0.864 62.024 61.300 -0.234 0.000 1.449 345 I CB -0.965 36.901 38.000 -0.223 0.000 1.121 345 I HN 0.699 nan 8.210 nan 0.000 0.442 346 S N -0.166 115.378 115.700 -0.259 0.000 2.704 346 S HA 0.401 4.862 4.470 -0.015 0.000 0.296 346 S C -0.642 173.851 174.600 -0.179 0.000 1.138 346 S CA -0.569 57.524 58.200 -0.178 0.000 0.875 346 S CB 1.398 64.510 63.200 -0.148 0.000 1.151 346 S HN 0.007 nan 8.310 nan 0.000 0.500 347 E N 2.191 122.325 120.200 -0.110 0.000 2.376 347 E HA 0.236 4.577 4.350 -0.015 0.000 0.266 347 E C 0.221 176.769 176.600 -0.086 0.000 1.009 347 E CA 0.226 56.575 56.400 -0.084 0.000 0.902 347 E CB 0.116 29.788 29.700 -0.048 0.000 0.972 347 E HN 0.714 nan 8.360 nan 0.000 0.439 348 E N 4.848 125.003 120.200 -0.074 0.000 2.159 348 E HA 0.223 4.564 4.350 -0.015 0.000 0.272 348 E C 0.163 176.752 176.600 -0.018 0.000 1.138 348 E CA -0.044 56.327 56.400 -0.048 0.000 0.915 348 E CB -0.196 29.485 29.700 -0.032 0.000 1.028 348 E HN 0.294 nan 8.360 nan 0.000 0.423 349 I N 0.000 120.573 120.570 0.005 0.000 2.984 349 I HA 0.000 4.161 4.170 -0.015 0.000 0.288 349 I CA 0.000 61.316 61.300 0.027 0.000 1.566 349 I CB 0.000 38.021 38.000 0.034 0.000 1.214 349 I HN 0.000 nan 8.210 nan 0.000 0.494