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 2vjo_1_A DATA FIRST_RESID 2 DATA SEQUENCE TKPLDGINVL DFTHVAAGPA CTQMMGFLGA NVIKIERRGS GDMTRGWLQD DATA SEQUENCE KPNVDSLYFT MFNCNKRSIE LDMKTPEGKE LLEQMIKKAD VMVENFGPGA DATA SEQUENCE LDRMGFTWEY IQELNPRVIL ASVKGYAEGH ANEHLKVYEN VAQCSGGAAA DATA SEQUENCE TTGFWDGPPT VSGAALGDSN SGMHLMIGIL AALEIRHKTG RGQKVAVAMQ DATA SEQUENCE DAVLNLVRIK LRDQQRLERT GILAEYPQAQ PNFAFDRDGN PLSFDNITSV DATA SEQUENCE PRGGNAGGGG QPGWMLKCKG WETDADSYVY FTIAANMWPQ ICDMIDKPEW DATA SEQUENCE KDDPAYNTFE GRVDKLMDIF SFIETKFADK DKFEVTEWAA QYGIPCGPVM DATA SEQUENCE SMKELAHDPS LQKVGTVVEV VDEIRGNHLT VGAPFKFSGF QPEITRAPLL DATA SEQUENCE GEHTDEVLKE LGLDDAKIKE LHAKQVV 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.566 174.700 -0.223 0.000 1.109 2 T CA 0.000 62.045 62.100 -0.092 0.000 1.349 2 T CB 0.000 68.821 68.868 -0.079 0.000 0.612 3 K N 1.935 122.128 120.400 -0.345 0.000 2.182 3 K HA 0.482 4.803 4.320 0.002 0.000 0.262 3 K C -2.217 174.028 176.600 -0.591 0.000 0.957 3 K CA -2.244 53.593 56.287 -0.751 0.000 0.842 3 K CB 1.870 34.027 32.500 -0.571 0.000 1.099 3 K HN 0.085 nan 8.250 nan 0.000 0.438 4 P HA -0.127 nan 4.420 nan 0.000 0.216 4 P C 0.416 177.562 177.300 -0.257 0.000 1.150 4 P CA 1.217 64.065 63.100 -0.420 0.000 0.837 4 P CB 0.279 31.715 31.700 -0.440 0.000 0.786 5 L N -1.619 119.451 121.223 -0.255 0.000 2.818 5 L HA 0.205 4.546 4.340 0.002 0.000 0.243 5 L C -0.051 176.750 176.870 -0.117 0.000 1.185 5 L CA -0.435 54.320 54.840 -0.142 0.000 0.988 5 L CB -0.290 41.707 42.059 -0.103 0.000 1.292 5 L HN -0.167 nan 8.230 nan 0.000 0.519 6 D N 1.743 122.057 120.400 -0.143 0.000 2.520 6 D HA 0.189 4.830 4.640 0.002 0.000 0.243 6 D C 1.316 177.576 176.300 -0.067 0.000 1.160 6 D CA 1.510 55.450 54.000 -0.100 0.000 0.877 6 D CB 1.131 41.866 40.800 -0.109 0.000 1.150 6 D HN 0.392 nan 8.370 nan 0.000 0.494 7 G N 2.478 111.248 108.800 -0.050 0.000 2.176 7 G HA2 -0.234 3.727 3.960 0.002 0.000 0.253 7 G HA3 -0.234 3.727 3.960 0.002 0.000 0.253 7 G C 0.337 175.217 174.900 -0.035 0.000 0.979 7 G CA -0.433 44.645 45.100 -0.038 0.000 0.641 7 G HN 0.487 nan 8.290 nan 0.000 0.530 8 I N 1.475 122.022 120.570 -0.039 0.000 2.352 8 I HA 0.242 4.413 4.170 0.002 0.000 0.290 8 I C 0.370 176.468 176.117 -0.032 0.000 1.036 8 I CA -0.855 60.425 61.300 -0.034 0.000 1.336 8 I CB 0.768 38.747 38.000 -0.035 0.000 1.407 8 I HN 0.201 nan 8.210 nan 0.000 0.497 9 N N 6.206 124.890 118.700 -0.027 0.000 2.426 9 N HA 0.312 5.053 4.740 0.002 0.000 0.257 9 N C -1.024 174.470 175.510 -0.026 0.000 1.002 9 N CA -0.276 52.757 53.050 -0.028 0.000 0.942 9 N CB 1.037 39.508 38.487 -0.025 0.000 1.112 9 N HN 0.289 nan 8.380 nan 0.000 0.499 10 V N 4.322 124.214 119.914 -0.036 0.000 2.370 10 V HA 0.323 4.444 4.120 0.002 0.000 0.283 10 V C -0.213 175.841 176.094 -0.066 0.000 1.023 10 V CA -0.898 61.380 62.300 -0.036 0.000 0.857 10 V CB 1.062 32.864 31.823 -0.036 0.000 0.985 10 V HN 0.539 nan 8.190 nan 0.000 0.443 11 L N 4.842 126.027 121.223 -0.062 0.000 2.268 11 L HA 0.526 4.867 4.340 0.002 0.000 0.289 11 L C -0.293 176.446 176.870 -0.218 0.000 1.064 11 L CA 0.251 54.991 54.840 -0.166 0.000 0.824 11 L CB 0.811 42.798 42.059 -0.120 0.000 1.202 11 L HN 0.685 nan 8.230 nan 0.000 0.433 12 D N 3.894 124.111 120.400 -0.306 0.000 2.454 12 D HA 0.181 4.822 4.640 0.002 0.000 0.225 12 D C 0.127 176.256 176.300 -0.286 0.000 1.081 12 D CA -0.161 53.725 54.000 -0.191 0.000 0.864 12 D CB 0.377 41.109 40.800 -0.114 0.000 1.040 12 D HN 0.402 nan 8.370 nan 0.000 0.517 13 F N 1.082 120.976 119.950 -0.093 0.000 2.765 13 F HA 0.088 4.616 4.527 0.002 0.000 0.302 13 F C 1.503 177.158 175.800 -0.241 0.000 1.111 13 F CA -0.205 57.709 58.000 -0.143 0.000 1.359 13 F CB -0.059 38.823 39.000 -0.196 0.000 1.097 13 F HN 0.194 nan 8.300 nan 0.000 0.577 14 T N -1.237 113.309 114.554 -0.013 0.000 2.913 14 T HA 0.407 4.758 4.350 0.002 0.000 0.297 14 T C -0.412 174.330 174.700 0.069 0.000 1.029 14 T CA -0.424 61.659 62.100 -0.029 0.000 1.104 14 T CB 0.733 69.576 68.868 -0.042 0.000 0.964 14 T HN 0.504 nan 8.240 nan 0.000 0.532 15 H N -0.394 118.604 119.070 -0.120 0.000 2.907 15 H HA 0.778 5.335 4.556 0.001 0.000 0.361 15 H C 0.217 175.494 175.328 -0.084 0.000 1.194 15 H CA -1.165 54.837 56.048 -0.076 0.000 1.152 15 H CB 0.971 30.704 29.762 -0.049 0.000 1.867 15 H HN 0.571 nan 8.280 nan 0.000 0.561 16 V N -1.158 118.646 119.914 -0.183 0.000 0.690 16 V HA -0.411 3.710 4.120 0.002 0.000 0.092 16 V C 1.412 177.316 176.094 -0.317 0.000 0.788 16 V CA 2.233 64.389 62.300 -0.240 0.000 3.100 16 V CB -2.095 29.652 31.823 -0.126 0.000 0.194 16 V HN 1.158 nan 8.190 nan 0.000 0.098 17 A N -1.610 121.058 122.820 -0.254 0.000 1.975 17 A HA 0.742 5.063 4.320 0.002 0.000 0.197 17 A C 1.842 179.410 177.584 -0.026 0.000 1.537 17 A CA 1.900 53.740 52.037 -0.328 0.000 0.972 17 A CB -0.236 18.558 19.000 -0.343 0.000 1.019 17 A HN 2.019 nan 8.150 nan 0.000 0.488 18 A N 0.234 123.035 122.820 -0.032 0.000 1.835 18 A HA 0.160 4.481 4.320 0.002 0.000 0.215 18 A C 2.344 179.933 177.584 0.009 0.000 1.199 18 A CA 2.158 54.200 52.037 0.008 0.000 0.615 18 A CB -1.486 17.492 19.000 -0.037 0.000 0.838 18 A HN 0.806 nan 8.150 nan 0.000 0.444 19 G N -0.295 108.478 108.800 -0.045 0.000 2.421 19 G HA2 -0.092 3.869 3.960 0.002 0.000 0.216 19 G HA3 -0.092 3.869 3.960 0.002 0.000 0.216 19 G C -0.314 174.581 174.900 -0.009 0.000 1.171 19 G CA 1.244 46.321 45.100 -0.038 0.000 0.775 19 G HN 0.497 nan 8.290 nan 0.000 0.543 20 P HA -0.037 nan 4.420 nan 0.000 0.216 20 P C 2.201 179.561 177.300 0.100 0.000 1.150 20 P CA 1.845 64.969 63.100 0.041 0.000 0.837 20 P CB -0.110 31.616 31.700 0.044 0.000 0.786 21 A N -0.878 122.071 122.820 0.214 0.000 1.883 21 A HA -0.298 4.023 4.320 0.002 0.000 0.217 21 A C 2.499 180.082 177.584 -0.002 0.000 1.186 21 A CA 2.018 54.137 52.037 0.136 0.000 0.624 21 A CB -1.867 17.265 19.000 0.219 0.000 0.822 21 A HN 0.305 nan 8.150 nan 0.000 0.444 22 C N -0.252 119.058 119.300 0.018 0.000 2.413 22 C HA -0.134 4.326 4.460 0.002 0.000 0.278 22 C C 3.235 178.199 174.990 -0.043 0.000 1.224 22 C CA 2.464 61.480 59.018 -0.003 0.000 1.732 22 C CB -1.442 26.302 27.740 0.006 0.000 2.050 22 C HN 0.751 nan 8.230 nan 0.000 0.463 23 T N -1.323 113.201 114.554 -0.050 0.000 2.951 23 T HA -0.194 4.157 4.350 0.002 0.000 0.268 23 T C 1.844 176.466 174.700 -0.129 0.000 1.073 23 T CA 1.701 63.760 62.100 -0.069 0.000 1.134 23 T CB -0.615 68.220 68.868 -0.055 0.000 0.884 23 T HN 0.800 nan 8.240 nan 0.000 0.479 24 Q N -0.003 119.678 119.800 -0.198 0.000 2.050 24 Q HA -0.088 4.253 4.340 0.002 0.000 0.202 24 Q C 2.305 177.917 176.000 -0.647 0.000 0.980 24 Q CA 1.429 56.989 55.803 -0.404 0.000 0.840 24 Q CB -0.233 28.224 28.738 -0.467 0.000 0.898 24 Q HN 0.446 nan 8.270 nan 0.000 0.424 25 M N 0.012 119.334 119.600 -0.462 0.000 2.213 25 M HA -0.110 4.371 4.480 0.002 0.000 0.263 25 M C 1.811 178.090 176.300 -0.035 0.000 1.062 25 M CA 1.559 56.688 55.300 -0.286 0.000 1.105 25 M CB -0.073 32.516 32.600 -0.019 0.000 1.385 25 M HN 0.274 nan 8.290 nan 0.000 0.417 26 M N -1.351 118.219 119.600 -0.049 0.000 2.117 26 M HA -0.098 4.383 4.480 0.002 0.000 0.262 26 M C 2.141 178.450 176.300 0.014 0.000 1.065 26 M CA 1.689 56.984 55.300 -0.009 0.000 1.114 26 M CB -1.176 31.407 32.600 -0.028 0.000 1.361 26 M HN 0.478 nan 8.290 nan 0.000 0.408 27 G N 0.035 108.829 108.800 -0.010 0.000 2.422 27 G HA2 -0.191 3.770 3.960 0.002 0.000 0.218 27 G HA3 -0.191 3.770 3.960 0.002 0.000 0.218 27 G C 1.175 176.230 174.900 0.258 0.000 1.146 27 G CA 0.487 45.630 45.100 0.072 0.000 0.769 27 G HN 0.270 nan 8.290 nan 0.000 0.547 28 F N 0.784 120.768 119.950 0.056 0.000 2.216 28 F HA 0.113 4.641 4.527 0.002 0.000 0.300 28 F C 2.356 178.253 175.800 0.162 0.000 1.085 28 F CA 0.182 58.243 58.000 0.102 0.000 1.326 28 F CB -0.510 38.562 39.000 0.120 0.000 1.027 28 F HN 0.073 nan 8.300 nan 0.000 0.497 29 L N -1.267 120.134 121.223 0.297 0.000 2.611 29 L HA 0.282 4.623 4.340 0.002 0.000 0.229 29 L C 1.605 178.400 176.870 -0.126 0.000 1.137 29 L CA 0.776 55.672 54.840 0.094 0.000 0.901 29 L CB -0.534 41.547 42.059 0.037 0.000 1.098 29 L HN 0.361 nan 8.230 nan 0.000 0.456 30 G N -0.287 108.502 108.800 -0.019 0.000 2.229 30 G HA2 -0.179 3.781 3.960 0.002 0.000 0.189 30 G HA3 -0.179 3.781 3.960 0.002 0.000 0.189 30 G C 0.432 175.307 174.900 -0.042 0.000 1.000 30 G CA -0.182 44.878 45.100 -0.066 0.000 0.663 30 G HN 0.395 nan 8.290 nan 0.000 0.493 31 A N 0.564 123.368 122.820 -0.026 0.000 2.498 31 A HA 0.509 4.830 4.320 0.002 0.000 0.239 31 A C 0.433 178.003 177.584 -0.024 0.000 1.068 31 A CA 0.154 52.172 52.037 -0.030 0.000 0.766 31 A CB 0.129 19.112 19.000 -0.028 0.000 1.003 31 A HN 0.415 nan 8.150 nan 0.000 0.497 32 N N 1.846 120.526 118.700 -0.034 0.000 2.415 32 N HA 0.279 5.020 4.740 0.002 0.000 0.250 32 N C -0.919 174.562 175.510 -0.049 0.000 1.127 32 N CA -0.012 53.014 53.050 -0.039 0.000 0.945 32 N CB 1.044 39.507 38.487 -0.039 0.000 1.196 32 N HN 0.282 nan 8.380 nan 0.000 0.499 33 V N 3.592 123.473 119.914 -0.054 0.000 2.370 33 V HA 0.400 4.520 4.120 0.002 0.000 0.279 33 V C 0.564 176.608 176.094 -0.085 0.000 1.029 33 V CA -0.675 61.586 62.300 -0.065 0.000 0.870 33 V CB 0.982 32.770 31.823 -0.057 0.000 0.984 33 V HN 0.433 nan 8.190 nan 0.000 0.451 34 I N 5.133 125.644 120.570 -0.098 0.000 2.359 34 I HA 0.382 4.553 4.170 0.002 0.000 0.284 34 I C 0.222 176.257 176.117 -0.136 0.000 1.018 34 I CA -0.338 60.896 61.300 -0.110 0.000 1.173 34 I CB 1.138 39.072 38.000 -0.111 0.000 1.326 34 I HN 0.514 nan 8.210 nan 0.000 0.462 35 K N 7.728 128.074 120.400 -0.090 0.000 2.285 35 K HA 0.462 4.783 4.320 0.002 0.000 0.286 35 K C -0.604 175.946 176.600 -0.084 0.000 1.072 35 K CA -0.478 55.761 56.287 -0.079 0.000 0.913 35 K CB 0.702 33.205 32.500 0.004 0.000 1.067 35 K HN 0.561 nan 8.250 nan 0.000 0.479 36 I N 4.771 125.239 120.570 -0.170 0.000 2.352 36 I HA 0.088 4.259 4.170 0.002 0.000 0.290 36 I C 0.192 176.299 176.117 -0.016 0.000 1.036 36 I CA 0.070 61.292 61.300 -0.131 0.000 1.336 36 I CB 0.898 38.736 38.000 -0.270 0.000 1.407 36 I HN 0.557 nan 8.210 nan 0.000 0.497 37 E N 5.989 126.193 120.200 0.007 0.000 2.277 37 E HA 0.467 4.818 4.350 0.002 0.000 0.266 37 E C -0.705 175.901 176.600 0.010 0.000 0.901 37 E CA -1.179 55.233 56.400 0.020 0.000 0.782 37 E CB 2.127 31.832 29.700 0.009 0.000 1.228 37 E HN 0.435 nan 8.360 nan 0.000 0.424 38 R N 1.368 121.866 120.500 -0.002 0.000 2.570 38 R HA 0.082 4.423 4.340 0.002 0.000 0.277 38 R C 0.115 176.398 176.300 -0.029 0.000 1.039 38 R CA 0.074 56.164 56.100 -0.017 0.000 1.065 38 R CB 0.510 30.787 30.300 -0.038 0.000 0.964 38 R HN 0.299 nan 8.270 nan 0.000 0.428 39 R N 1.556 122.042 120.500 -0.023 0.000 2.522 39 R HA -0.014 4.327 4.340 0.002 0.000 0.284 39 R C 1.031 177.313 176.300 -0.031 0.000 1.032 39 R CA 1.281 57.366 56.100 -0.024 0.000 1.049 39 R CB 0.610 30.899 30.300 -0.017 0.000 0.956 39 R HN 1.004 nan 8.270 nan 0.000 0.422 40 G N 1.258 110.038 108.800 -0.033 0.000 3.206 40 G HA2 -0.406 3.555 3.960 0.002 0.000 0.217 40 G HA3 -0.406 3.555 3.960 0.002 0.000 0.217 40 G C 0.922 175.785 174.900 -0.060 0.000 1.350 40 G CA 0.467 45.544 45.100 -0.038 0.000 0.836 40 G HN 0.633 nan 8.290 nan 0.000 0.548 41 S N 0.713 116.370 115.700 -0.072 0.000 2.412 41 S HA 0.469 4.940 4.470 0.002 0.000 0.223 41 S C 2.230 176.744 174.600 -0.142 0.000 1.048 41 S CA 1.460 59.597 58.200 -0.104 0.000 0.954 41 S CB -0.189 62.951 63.200 -0.100 0.000 0.840 41 S HN 2.698 nan 8.310 nan 0.000 0.503 42 G N 2.048 110.777 108.800 -0.118 0.000 2.645 42 G HA2 -0.218 3.743 3.960 0.002 0.000 0.239 42 G HA3 -0.218 3.743 3.960 0.002 0.000 0.239 42 G C -0.754 174.058 174.900 -0.145 0.000 1.331 42 G CA -0.045 44.979 45.100 -0.126 0.000 0.890 42 G HN 0.578 nan 8.290 nan 0.000 0.572 43 D N 0.368 120.695 120.400 -0.120 0.000 2.493 43 D HA 0.256 4.897 4.640 0.002 0.000 0.240 43 D C 2.013 178.148 176.300 -0.275 0.000 1.142 43 D CA 0.340 54.287 54.000 -0.087 0.000 0.872 43 D CB 0.455 41.321 40.800 0.110 0.000 1.173 43 D HN 0.402 nan 8.370 nan 0.000 0.467 44 M N 1.893 121.245 119.600 -0.413 0.000 2.260 44 M HA -0.196 4.285 4.480 0.002 0.000 0.261 44 M C 2.050 177.653 176.300 -1.160 0.000 1.066 44 M CA 1.735 56.478 55.300 -0.928 0.000 1.082 44 M CB -0.436 31.357 32.600 -1.346 0.000 1.388 44 M HN 0.519 nan 8.290 nan 0.000 0.419 45 T N -1.797 112.346 114.554 -0.686 0.000 2.962 45 T HA -0.063 4.288 4.350 0.002 0.000 0.270 45 T C 1.757 176.394 174.700 -0.105 0.000 1.088 45 T CA 0.777 62.620 62.100 -0.430 0.000 1.127 45 T CB -0.330 68.236 68.868 -0.504 0.000 0.883 45 T HN 0.409 nan 8.240 nan 0.000 0.493 46 R N 0.973 121.350 120.500 -0.205 0.000 2.091 46 R HA 0.006 4.347 4.340 0.002 0.000 0.238 46 R C 2.689 178.924 176.300 -0.109 0.000 1.136 46 R CA 1.524 57.481 56.100 -0.237 0.000 0.959 46 R CB -0.588 29.428 30.300 -0.473 0.000 0.856 46 R HN 0.560 nan 8.270 nan 0.000 0.437 47 G N -1.222 107.486 108.800 -0.153 0.000 3.088 47 G HA2 -0.036 3.925 3.960 0.002 0.000 0.217 47 G HA3 -0.036 3.925 3.960 0.002 0.000 0.217 47 G C -0.487 174.511 174.900 0.163 0.000 1.159 47 G CA -0.485 44.595 45.100 -0.034 0.000 0.760 47 G HN 0.076 nan 8.290 nan 0.000 0.550 48 W N 0.627 121.962 121.300 0.058 0.000 2.335 48 W HA 0.601 5.262 4.660 0.001 0.000 0.307 48 W C 0.515 177.149 176.519 0.192 0.000 1.117 48 W CA -1.372 56.047 57.345 0.123 0.000 1.228 48 W CB 0.079 29.633 29.460 0.156 0.000 1.240 48 W HN -0.036 nan 8.180 nan 0.000 0.468 49 L N 2.248 123.667 121.223 0.327 0.000 3.730 49 L HA -0.282 4.059 4.340 0.002 0.000 0.410 49 L C 0.621 177.590 176.870 0.166 0.000 1.234 49 L CA 0.249 55.207 54.840 0.197 0.000 0.911 49 L CB -1.770 40.387 42.059 0.163 0.000 1.942 49 L HN 0.477 nan 8.230 nan 0.000 0.860 50 Q N 1.215 121.106 119.800 0.152 0.000 2.337 50 Q HA 0.038 4.378 4.340 0.002 0.000 0.270 50 Q C 1.249 177.297 176.000 0.081 0.000 1.002 50 Q CA 0.563 56.433 55.803 0.112 0.000 0.888 50 Q CB 0.790 29.582 28.738 0.091 0.000 1.222 50 Q HN 0.382 nan 8.270 nan 0.000 0.400 51 D N 1.541 121.983 120.400 0.071 0.000 2.355 51 D HA 0.002 4.643 4.640 0.002 0.000 0.206 51 D C -0.071 176.258 176.300 0.048 0.000 1.010 51 D CA 0.513 54.546 54.000 0.056 0.000 0.875 51 D CB 0.655 41.489 40.800 0.056 0.000 0.966 51 D HN 0.185 nan 8.370 nan 0.000 0.512 52 K N 1.303 121.732 120.400 0.049 0.000 2.507 52 K HA 0.375 4.696 4.320 0.002 0.000 0.252 52 K C -2.867 173.755 176.600 0.037 0.000 0.943 52 K CA -2.010 54.301 56.287 0.041 0.000 0.808 52 K CB 2.787 35.311 32.500 0.040 0.000 1.142 52 K HN -0.175 nan 8.250 nan 0.000 0.426 53 P HA -0.065 nan 4.420 nan 0.000 0.263 53 P C -0.048 177.265 177.300 0.021 0.000 1.195 53 P CA 0.594 63.711 63.100 0.028 0.000 0.762 53 P CB 0.265 31.979 31.700 0.023 0.000 0.799 54 N N 0.359 119.069 118.700 0.016 0.000 2.800 54 N HA -0.156 4.585 4.740 0.002 0.000 0.250 54 N C -1.052 174.459 175.510 0.003 0.000 1.078 54 N CA 0.097 53.149 53.050 0.004 0.000 0.804 54 N CB -0.548 37.940 38.487 0.002 0.000 1.135 54 N HN 0.129 nan 8.380 nan 0.000 0.565 55 V N 1.255 121.178 119.914 0.014 0.000 2.513 55 V HA 0.265 4.386 4.120 0.002 0.000 0.299 55 V C 0.152 176.258 176.094 0.020 0.000 1.035 55 V CA -0.717 61.594 62.300 0.019 0.000 0.889 55 V CB 1.714 33.557 31.823 0.034 0.000 0.988 55 V HN 0.068 nan 8.190 nan 0.000 0.440 56 D N 2.915 123.321 120.400 0.010 0.000 2.531 56 D HA 0.049 4.690 4.640 0.002 0.000 0.239 56 D C 0.681 177.036 176.300 0.090 0.000 1.144 56 D CA 0.425 54.434 54.000 0.015 0.000 0.869 56 D CB 0.894 41.703 40.800 0.016 0.000 1.160 56 D HN 0.756 nan 8.370 nan 0.000 0.484 57 S N 2.001 117.777 115.700 0.126 0.000 2.584 57 S HA 0.070 4.541 4.470 0.002 0.000 0.270 57 S C 1.622 176.337 174.600 0.192 0.000 1.346 57 S CA -0.695 57.606 58.200 0.167 0.000 1.018 57 S CB 0.755 64.094 63.200 0.231 0.000 0.899 57 S HN 0.449 nan 8.310 nan 0.000 0.542 58 L N 1.025 122.330 121.223 0.136 0.000 2.261 58 L HA -0.111 4.230 4.340 0.002 0.000 0.216 58 L C 2.186 179.209 176.870 0.255 0.000 1.114 58 L CA 1.415 56.311 54.840 0.093 0.000 0.777 58 L CB -0.655 41.440 42.059 0.058 0.000 0.910 58 L HN 0.848 nan 8.230 nan 0.000 0.440 59 Y N -0.943 119.468 120.300 0.186 0.000 2.224 59 Y HA -0.362 4.189 4.550 0.001 0.000 0.289 59 Y C 2.438 178.512 175.900 0.290 0.000 1.146 59 Y CA 1.266 59.512 58.100 0.244 0.000 1.182 59 Y CB 0.069 38.660 38.460 0.219 0.000 0.983 59 Y HN 0.199 nan 8.280 nan 0.000 0.524 60 F N 0.372 120.476 119.950 0.257 0.000 2.220 60 F HA -0.128 4.399 4.527 0.002 0.000 0.290 60 F C 2.670 178.573 175.800 0.172 0.000 1.080 60 F CA 1.616 59.698 58.000 0.137 0.000 1.318 60 F CB -0.613 38.408 39.000 0.036 0.000 1.063 60 F HN -0.030 nan 8.300 nan 0.000 0.498 61 T N -1.287 113.340 114.554 0.122 0.000 2.867 61 T HA -0.179 4.172 4.350 0.002 0.000 0.268 61 T C 1.825 176.530 174.700 0.009 0.000 1.057 61 T CA 1.498 63.580 62.100 -0.029 0.000 1.136 61 T CB -0.560 68.199 68.868 -0.181 0.000 0.874 61 T HN 0.363 nan 8.240 nan 0.000 0.466 62 M N -0.502 119.144 119.600 0.076 0.000 2.619 62 M HA 0.286 4.767 4.480 0.002 0.000 0.251 62 M C 0.641 176.891 176.300 -0.084 0.000 1.106 62 M CA 0.893 56.254 55.300 0.102 0.000 1.086 62 M CB -0.070 32.589 32.600 0.098 0.000 1.465 62 M HN 0.222 nan 8.290 nan 0.000 0.506 63 F N -0.672 119.247 119.950 -0.053 0.000 2.706 63 F HA 0.225 4.754 4.527 0.002 0.000 0.313 63 F C 0.967 176.611 175.800 -0.260 0.000 1.096 63 F CA 0.023 57.954 58.000 -0.114 0.000 1.219 63 F CB 0.465 39.434 39.000 -0.051 0.000 1.051 63 F HN 0.103 nan 8.300 nan 0.000 0.568 64 N N -0.998 117.567 118.700 -0.224 0.000 2.301 64 N HA 0.124 4.865 4.740 0.002 0.000 0.247 64 N C -0.599 174.816 175.510 -0.158 0.000 1.347 64 N CA 0.082 52.919 53.050 -0.355 0.000 0.844 64 N CB 0.465 38.361 38.487 -0.984 0.000 1.332 64 N HN -0.001 nan 8.380 nan 0.000 0.494 65 C N 1.316 120.619 119.300 0.006 0.000 2.705 65 C HA 0.077 4.538 4.460 0.002 0.000 0.382 65 C C 1.333 176.420 174.990 0.161 0.000 1.322 65 C CA 0.154 59.264 59.018 0.152 0.000 2.290 65 C CB -0.561 27.358 27.740 0.299 0.000 2.650 65 C HN 0.570 nan 8.230 nan 0.000 0.695 66 N N 0.272 119.076 118.700 0.174 0.000 2.735 66 N HA -0.175 4.566 4.740 0.002 0.000 0.248 66 N C -0.960 174.574 175.510 0.040 0.000 1.083 66 N CA 1.211 54.342 53.050 0.136 0.000 0.703 66 N CB -0.985 37.661 38.487 0.265 0.000 1.005 66 N HN 0.720 nan 8.380 nan 0.000 0.550 67 K N -0.051 120.355 120.400 0.009 0.000 2.477 67 K HA 0.520 4.841 4.320 0.002 0.000 0.255 67 K C -0.230 176.315 176.600 -0.091 0.000 0.952 67 K CA -0.779 55.486 56.287 -0.038 0.000 0.826 67 K CB 2.448 34.932 32.500 -0.026 0.000 1.331 67 K HN -0.006 nan 8.250 nan 0.000 0.437 68 R N 0.450 120.847 120.500 -0.173 0.000 2.604 68 R HA 0.370 4.711 4.340 0.002 0.000 0.287 68 R C -0.693 175.602 176.300 -0.009 0.000 0.970 68 R CA -0.676 55.218 56.100 -0.344 0.000 0.946 68 R CB 2.035 31.997 30.300 -0.564 0.000 1.127 68 R HN 0.467 nan 8.270 nan 0.000 0.473 69 S N 2.828 118.677 115.700 0.248 0.000 2.478 69 S HA 0.498 4.969 4.470 0.002 0.000 0.312 69 S C -0.749 173.939 174.600 0.146 0.000 1.094 69 S CA -0.741 57.572 58.200 0.188 0.000 1.081 69 S CB 0.648 63.975 63.200 0.210 0.000 1.007 69 S HN 0.555 nan 8.310 nan 0.000 0.475 70 I N 4.020 124.627 120.570 0.061 0.000 2.447 70 I HA 0.474 4.645 4.170 0.002 0.000 0.287 70 I C -0.481 175.637 176.117 0.002 0.000 1.023 70 I CA -0.574 60.743 61.300 0.029 0.000 1.083 70 I CB 1.513 39.517 38.000 0.005 0.000 1.245 70 I HN 0.660 nan 8.210 nan 0.000 0.434 71 E N 6.688 126.886 120.200 -0.003 0.000 2.354 71 E HA 0.440 4.791 4.350 0.002 0.000 0.269 71 E C -1.250 175.333 176.600 -0.028 0.000 1.036 71 E CA -0.394 55.997 56.400 -0.015 0.000 0.876 71 E CB 1.772 31.463 29.700 -0.014 0.000 1.009 71 E HN 0.381 nan 8.360 nan 0.000 0.416 72 L N 2.657 123.870 121.223 -0.016 0.000 2.588 72 L HA 0.203 4.544 4.340 0.002 0.000 0.263 72 L C -1.676 175.197 176.870 0.005 0.000 0.935 72 L CA -0.560 54.273 54.840 -0.011 0.000 0.891 72 L CB 1.995 44.052 42.059 -0.004 0.000 1.318 72 L HN 0.363 nan 8.230 nan 0.000 0.409 73 D N 4.650 125.049 120.400 -0.001 0.000 2.336 73 D HA 0.251 4.892 4.640 0.002 0.000 0.249 73 D C 0.680 176.995 176.300 0.024 0.000 1.213 73 D CA 0.108 54.111 54.000 0.005 0.000 0.870 73 D CB 1.108 41.907 40.800 -0.003 0.000 1.076 73 D HN 0.641 nan 8.370 nan 0.000 0.483 74 M N 2.362 121.982 119.600 0.034 0.000 2.509 74 M HA 0.066 4.547 4.480 0.002 0.000 0.250 74 M C 1.231 177.568 176.300 0.062 0.000 1.132 74 M CA 0.367 55.708 55.300 0.068 0.000 1.080 74 M CB 0.412 33.063 32.600 0.085 0.000 1.408 74 M HN 0.111 nan 8.290 nan 0.000 0.484 75 K N 1.360 121.772 120.400 0.021 0.000 2.745 75 K HA 0.070 4.391 4.320 0.002 0.000 0.223 75 K C -0.011 176.598 176.600 0.014 0.000 1.057 75 K CA 0.105 56.398 56.287 0.009 0.000 1.217 75 K CB -0.209 32.281 32.500 -0.017 0.000 0.993 75 K HN 0.269 nan 8.250 nan 0.000 0.478 76 T N -3.732 110.840 114.554 0.030 0.000 2.907 76 T HA 0.306 4.657 4.350 0.002 0.000 0.292 76 T C -2.464 172.260 174.700 0.040 0.000 1.043 76 T CA -2.199 59.916 62.100 0.025 0.000 1.003 76 T CB 2.069 70.948 68.868 0.018 0.000 1.084 76 T HN -0.269 nan 8.240 nan 0.000 0.483 77 P HA 0.026 nan 4.420 nan 0.000 0.220 77 P C 1.001 178.329 177.300 0.048 0.000 1.148 77 P CA 0.837 63.956 63.100 0.032 0.000 0.803 77 P CB 0.164 31.872 31.700 0.015 0.000 0.782 78 E N -0.569 119.654 120.200 0.039 0.000 2.107 78 E HA -0.038 4.313 4.350 0.002 0.000 0.191 78 E C 2.276 178.908 176.600 0.053 0.000 0.982 78 E CA 1.316 57.739 56.400 0.038 0.000 0.809 78 E CB -1.260 28.452 29.700 0.020 0.000 0.756 78 E HN 0.194 nan 8.360 nan 0.000 0.459 79 G N 1.332 110.167 108.800 0.058 0.000 2.421 79 G HA2 -0.292 3.669 3.960 0.002 0.000 0.216 79 G HA3 -0.292 3.669 3.960 0.002 0.000 0.216 79 G C 1.329 176.312 174.900 0.137 0.000 1.171 79 G CA 0.741 45.886 45.100 0.075 0.000 0.775 79 G HN 0.153 nan 8.290 nan 0.000 0.543 80 K N 0.162 120.677 120.400 0.192 0.000 2.147 80 K HA -0.093 4.228 4.320 0.002 0.000 0.205 80 K C 2.329 179.132 176.600 0.340 0.000 1.049 80 K CA 1.323 57.827 56.287 0.361 0.000 0.936 80 K CB -0.017 32.647 32.500 0.273 0.000 0.722 80 K HN 0.310 nan 8.250 nan 0.000 0.446 81 E N 1.468 121.781 120.200 0.189 0.000 2.076 81 E HA -0.068 4.283 4.350 0.002 0.000 0.190 81 E C 1.813 178.490 176.600 0.129 0.000 0.979 81 E CA 0.852 57.343 56.400 0.151 0.000 0.807 81 E CB -0.166 29.590 29.700 0.093 0.000 0.761 81 E HN 0.174 nan 8.360 nan 0.000 0.454 82 L N 0.097 121.379 121.223 0.098 0.000 2.046 82 L HA -0.167 4.174 4.340 0.002 0.000 0.208 82 L C 2.518 179.428 176.870 0.066 0.000 1.077 82 L CA 0.948 55.826 54.840 0.063 0.000 0.747 82 L CB -0.411 41.668 42.059 0.034 0.000 0.896 82 L HN 0.226 nan 8.230 nan 0.000 0.432 83 L N -0.508 120.770 121.223 0.092 0.000 2.012 83 L HA -0.250 4.091 4.340 0.002 0.000 0.210 83 L C 2.551 179.480 176.870 0.098 0.000 1.073 83 L CA 1.470 56.336 54.840 0.044 0.000 0.748 83 L CB -0.487 41.519 42.059 -0.089 0.000 0.891 83 L HN 0.284 nan 8.230 nan 0.000 0.431 84 E N -0.468 119.872 120.200 0.234 0.000 2.118 84 E HA -0.281 4.070 4.350 0.002 0.000 0.195 84 E C 2.238 178.911 176.600 0.121 0.000 0.992 84 E CA 1.251 57.801 56.400 0.250 0.000 0.804 84 E CB -0.050 29.821 29.700 0.285 0.000 0.741 84 E HN 0.570 nan 8.360 nan 0.000 0.458 85 Q N -0.099 119.755 119.800 0.090 0.000 2.083 85 Q HA -0.077 4.264 4.340 0.002 0.000 0.198 85 Q C 2.191 178.211 176.000 0.033 0.000 0.969 85 Q CA 1.142 56.976 55.803 0.050 0.000 0.838 85 Q CB -0.040 28.722 28.738 0.041 0.000 0.900 85 Q HN 0.319 nan 8.270 nan 0.000 0.436 86 M N 0.120 119.736 119.600 0.027 0.000 2.159 86 M HA -0.148 4.333 4.480 0.002 0.000 0.263 86 M C 2.081 178.390 176.300 0.015 0.000 1.063 86 M CA 1.286 56.587 55.300 0.003 0.000 1.110 86 M CB -0.213 32.369 32.600 -0.030 0.000 1.374 86 M HN 0.236 nan 8.290 nan 0.000 0.411 87 I N 0.165 120.762 120.570 0.045 0.000 2.286 87 I HA -0.297 3.874 4.170 0.002 0.000 0.248 87 I C 2.118 178.259 176.117 0.040 0.000 1.115 87 I CA 1.404 62.743 61.300 0.064 0.000 1.392 87 I CB -0.367 37.695 38.000 0.102 0.000 1.065 87 I HN 0.266 nan 8.210 nan 0.000 0.418 88 K N 0.675 121.092 120.400 0.028 0.000 2.362 88 K HA -0.079 4.242 4.320 0.002 0.000 0.200 88 K C 1.520 178.123 176.600 0.005 0.000 1.046 88 K CA 0.799 57.091 56.287 0.010 0.000 0.952 88 K CB 0.079 32.582 32.500 0.006 0.000 0.753 88 K HN 0.292 nan 8.250 nan 0.000 0.466 89 K N 0.028 120.431 120.400 0.006 0.000 2.358 89 K HA 0.186 4.507 4.320 0.002 0.000 0.197 89 K C 0.140 176.738 176.600 -0.003 0.000 1.025 89 K CA -0.132 56.153 56.287 -0.002 0.000 1.104 89 K CB 1.123 33.620 32.500 -0.005 0.000 0.855 89 K HN -0.004 nan 8.250 nan 0.000 0.531 90 A N 1.303 124.127 122.820 0.006 0.000 2.304 90 A HA 0.193 4.514 4.320 0.002 0.000 0.301 90 A C 0.211 177.803 177.584 0.014 0.000 1.132 90 A CA -0.476 51.566 52.037 0.010 0.000 0.819 90 A CB 0.647 19.663 19.000 0.028 0.000 1.094 90 A HN 0.032 nan 8.150 nan 0.000 0.492 91 D N -0.050 120.354 120.400 0.008 0.000 2.323 91 D HA 0.146 4.787 4.640 0.002 0.000 0.218 91 D C -0.205 176.111 176.300 0.027 0.000 0.973 91 D CA 1.351 55.355 54.000 0.007 0.000 0.890 91 D CB 0.605 41.398 40.800 -0.011 0.000 1.011 91 D HN 0.268 nan 8.370 nan 0.000 0.499 92 V N 1.742 121.674 119.914 0.030 0.000 2.623 92 V HA 0.336 4.457 4.120 0.002 0.000 0.304 92 V C -0.359 175.776 176.094 0.069 0.000 1.054 92 V CA -0.601 61.726 62.300 0.044 0.000 0.882 92 V CB 2.223 34.058 31.823 0.020 0.000 1.002 92 V HN -0.060 nan 8.190 nan 0.000 0.424 93 M N 4.386 124.054 119.600 0.114 0.000 2.238 93 M HA 0.666 5.147 4.480 0.002 0.000 0.350 93 M C -1.015 175.375 176.300 0.150 0.000 1.138 93 M CA -0.630 54.784 55.300 0.190 0.000 1.040 93 M CB 1.864 34.615 32.600 0.252 0.000 1.639 93 M HN 0.443 nan 8.290 nan 0.000 0.451 94 V N 2.692 122.717 119.914 0.186 0.000 2.531 94 V HA 0.601 4.722 4.120 0.002 0.000 0.301 94 V C -0.772 175.404 176.094 0.136 0.000 1.034 94 V CA -0.643 61.718 62.300 0.103 0.000 0.865 94 V CB 1.762 33.608 31.823 0.038 0.000 0.995 94 V HN 0.917 nan 8.190 nan 0.000 0.424 95 E N 3.029 123.234 120.200 0.008 0.000 2.366 95 E HA 0.555 4.906 4.350 0.002 0.000 0.278 95 E C -0.810 175.698 176.600 -0.154 0.000 0.923 95 E CA -0.880 55.441 56.400 -0.131 0.000 0.761 95 E CB 1.807 31.366 29.700 -0.235 0.000 1.231 95 E HN 0.520 nan 8.360 nan 0.000 0.443 96 N N 2.471 121.023 118.700 -0.248 0.000 2.628 96 N HA 0.172 4.912 4.740 0.002 0.000 0.299 96 N C -1.215 174.253 175.510 -0.070 0.000 1.834 96 N CA -0.452 52.508 53.050 -0.150 0.000 0.871 96 N CB -0.384 38.010 38.487 -0.155 0.000 1.377 96 N HN 0.366 nan 8.380 nan 0.000 0.493 97 F N 0.801 120.828 119.950 0.129 0.000 2.408 97 F HA 0.434 4.962 4.527 0.002 0.000 0.303 97 F C 2.050 177.890 175.800 0.066 0.000 1.268 97 F CA -0.293 57.797 58.000 0.149 0.000 1.218 97 F CB 0.404 39.440 39.000 0.060 0.000 1.283 97 F HN 0.070 nan 8.300 nan 0.000 0.545 98 G N 0.149 109.125 108.800 0.293 0.000 2.699 98 G HA2 0.296 4.257 3.960 0.002 0.000 0.246 98 G HA3 0.296 4.257 3.960 0.002 0.000 0.246 98 G C -2.746 172.230 174.900 0.126 0.000 1.219 98 G CA -1.136 44.049 45.100 0.143 0.000 0.866 98 G HN 0.251 nan 8.290 nan 0.000 0.572 99 P HA 0.170 nan 4.420 nan 0.000 0.264 99 P C 0.968 178.315 177.300 0.079 0.000 1.193 99 P CA 1.440 64.591 63.100 0.086 0.000 0.763 99 P CB 0.850 32.605 31.700 0.091 0.000 0.810 100 G N 2.881 111.726 108.800 0.076 0.000 2.184 100 G HA2 -0.367 3.594 3.960 0.002 0.000 0.264 100 G HA3 -0.367 3.594 3.960 0.002 0.000 0.264 100 G C 1.188 176.113 174.900 0.042 0.000 0.975 100 G CA 0.517 45.653 45.100 0.059 0.000 0.642 100 G HN 0.667 nan 8.290 nan 0.000 0.536 101 A N -0.076 122.771 122.820 0.044 0.000 1.898 101 A HA 0.290 4.611 4.320 0.002 0.000 0.216 101 A C 2.364 179.909 177.584 -0.065 0.000 1.181 101 A CA 1.821 53.837 52.037 -0.036 0.000 0.620 101 A CB -0.315 18.638 19.000 -0.078 0.000 0.819 101 A HN 0.807 nan 8.150 nan 0.000 0.442 102 L N -0.571 120.675 121.223 0.039 0.000 2.141 102 L HA -0.177 4.164 4.340 0.002 0.000 0.209 102 L C 1.843 178.772 176.870 0.099 0.000 1.094 102 L CA 1.818 56.694 54.840 0.058 0.000 0.763 102 L CB -0.578 41.532 42.059 0.085 0.000 0.908 102 L HN 0.358 nan 8.230 nan 0.000 0.437 103 D N -0.010 120.438 120.400 0.080 0.000 2.104 103 D HA -0.189 4.452 4.640 0.002 0.000 0.194 103 D C 2.169 178.481 176.300 0.019 0.000 0.994 103 D CA 1.232 55.272 54.000 0.067 0.000 0.830 103 D CB -0.084 40.751 40.800 0.058 0.000 0.959 103 D HN 0.213 nan 8.370 nan 0.000 0.452 104 R N -0.396 120.105 120.500 0.001 0.000 2.285 104 R HA 0.119 4.460 4.340 0.002 0.000 0.213 104 R C 1.669 177.949 176.300 -0.034 0.000 1.068 104 R CA 0.350 56.434 56.100 -0.027 0.000 1.004 104 R CB -0.047 30.233 30.300 -0.032 0.000 0.873 104 R HN 0.249 nan 8.270 nan 0.000 0.467 105 M N -0.706 118.897 119.600 0.006 0.000 2.563 105 M HA 0.119 4.600 4.480 0.002 0.000 0.231 105 M C 0.816 177.110 176.300 -0.011 0.000 1.136 105 M CA 0.471 55.809 55.300 0.063 0.000 1.026 105 M CB 0.953 33.656 32.600 0.173 0.000 1.597 105 M HN 0.449 nan 8.290 nan 0.000 0.495 106 G N 0.457 109.171 108.800 -0.143 0.000 2.195 106 G HA2 -0.266 3.695 3.960 0.002 0.000 0.246 106 G HA3 -0.266 3.695 3.960 0.002 0.000 0.246 106 G C 0.043 174.645 174.900 -0.496 0.000 0.984 106 G CA -0.407 44.442 45.100 -0.418 0.000 0.633 106 G HN 0.446 nan 8.290 nan 0.000 0.525 107 F N 3.281 123.242 119.950 0.018 0.000 2.611 107 F HA 0.429 4.957 4.527 0.001 0.000 0.321 107 F C 1.470 177.346 175.800 0.126 0.000 1.208 107 F CA 0.068 58.142 58.000 0.124 0.000 1.249 107 F CB 0.130 39.185 39.000 0.092 0.000 1.514 107 F HN 0.202 nan 8.300 nan 0.000 0.561 108 T N -3.132 111.550 114.554 0.213 0.000 2.860 108 T HA -0.111 4.240 4.350 0.002 0.000 0.299 108 T C 1.266 176.146 174.700 0.301 0.000 1.045 108 T CA -0.689 61.541 62.100 0.217 0.000 1.071 108 T CB 0.937 69.886 68.868 0.134 0.000 0.985 108 T HN 0.659 nan 8.240 nan 0.000 0.537 109 W N 1.593 122.953 121.300 0.100 0.000 2.342 109 W HA -0.213 4.448 4.660 0.002 0.000 0.297 109 W C 1.307 177.876 176.519 0.082 0.000 1.213 109 W CA 1.622 59.018 57.345 0.084 0.000 1.251 109 W CB -0.087 29.408 29.460 0.059 0.000 1.136 109 W HN 0.845 nan 8.180 nan 0.000 0.526 110 E N -0.473 119.674 120.200 -0.088 0.000 2.150 110 E HA -0.250 4.101 4.350 0.002 0.000 0.193 110 E C 1.695 178.224 176.600 -0.118 0.000 0.985 110 E CA 1.590 57.865 56.400 -0.209 0.000 0.814 110 E CB -0.997 28.669 29.700 -0.056 0.000 0.752 110 E HN 0.387 nan 8.360 nan 0.000 0.466 111 Y N 0.297 120.530 120.300 -0.112 0.000 2.395 111 Y HA 0.050 4.601 4.550 0.002 0.000 0.293 111 Y C 1.662 177.531 175.900 -0.051 0.000 1.123 111 Y CA 0.667 58.716 58.100 -0.084 0.000 1.227 111 Y CB 0.095 38.505 38.460 -0.082 0.000 1.012 111 Y HN -0.032 nan 8.280 nan 0.000 0.552 112 I N -0.116 120.434 120.570 -0.034 0.000 2.252 112 I HA -0.326 3.845 4.170 0.002 0.000 0.245 112 I C 2.310 178.285 176.117 -0.235 0.000 1.102 112 I CA 1.420 62.693 61.300 -0.044 0.000 1.385 112 I CB -0.356 37.757 38.000 0.188 0.000 1.064 112 I HN 0.216 nan 8.210 nan 0.000 0.414 113 Q N 0.160 119.679 119.800 -0.469 0.000 2.135 113 Q HA -0.292 4.049 4.340 0.002 0.000 0.204 113 Q C 2.136 177.954 176.000 -0.303 0.000 0.981 113 Q CA 1.805 57.311 55.803 -0.496 0.000 0.856 113 Q CB -0.167 28.149 28.738 -0.703 0.000 0.902 113 Q HN 0.500 nan 8.270 nan 0.000 0.425 114 E N 0.534 120.554 120.200 -0.300 0.000 2.051 114 E HA -0.197 4.154 4.350 0.002 0.000 0.192 114 E C 1.949 178.393 176.600 -0.260 0.000 0.991 114 E CA 0.772 57.016 56.400 -0.260 0.000 0.799 114 E CB 0.015 29.549 29.700 -0.277 0.000 0.748 114 E HN 0.296 nan 8.360 nan 0.000 0.449 115 L N 0.194 121.218 121.223 -0.331 0.000 1.994 115 L HA -0.115 4.226 4.340 0.002 0.000 0.208 115 L C 1.172 177.969 176.870 -0.123 0.000 1.071 115 L CA 0.791 55.492 54.840 -0.231 0.000 0.745 115 L CB -0.109 41.825 42.059 -0.210 0.000 0.892 115 L HN 0.088 nan 8.230 nan 0.000 0.431 116 N N -1.463 117.173 118.700 -0.106 0.000 2.558 116 N HA 0.201 4.941 4.740 0.002 0.000 0.285 116 N C -2.266 173.204 175.510 -0.066 0.000 1.112 116 N CA -1.682 51.332 53.050 -0.059 0.000 0.857 116 N CB 1.666 40.145 38.487 -0.014 0.000 1.376 116 N HN -0.268 nan 8.380 nan 0.000 0.526 117 P HA 0.056 nan 4.420 nan 0.000 0.225 117 P C 0.607 177.895 177.300 -0.019 0.000 1.148 117 P CA 0.932 63.992 63.100 -0.067 0.000 0.779 117 P CB 0.412 32.078 31.700 -0.058 0.000 0.780 118 R N -1.534 118.963 120.500 -0.005 0.000 2.334 118 R HA 0.185 4.526 4.340 0.002 0.000 0.212 118 R C 0.278 176.605 176.300 0.045 0.000 0.897 118 R CA -0.132 55.974 56.100 0.011 0.000 1.056 118 R CB 0.263 30.555 30.300 -0.013 0.000 1.046 118 R HN 0.061 nan 8.270 nan 0.000 0.513 119 V N 2.006 121.964 119.914 0.073 0.000 2.530 119 V HA 0.236 4.357 4.120 0.002 0.000 0.282 119 V C -0.138 176.088 176.094 0.220 0.000 1.048 119 V CA -0.377 61.993 62.300 0.117 0.000 0.997 119 V CB 0.920 32.809 31.823 0.110 0.000 0.987 119 V HN 0.062 nan 8.190 nan 0.000 0.477 120 I N 7.086 127.750 120.570 0.156 0.000 2.342 120 I HA 0.288 4.459 4.170 0.002 0.000 0.291 120 I C -0.293 175.885 176.117 0.102 0.000 1.010 120 I CA -0.290 61.084 61.300 0.123 0.000 1.308 120 I CB 1.451 39.477 38.000 0.044 0.000 1.400 120 I HN 0.465 nan 8.210 nan 0.000 0.488 121 L N 7.586 128.818 121.223 0.015 0.000 2.275 121 L HA 0.743 5.084 4.340 0.002 0.000 0.288 121 L C -0.240 176.556 176.870 -0.123 0.000 1.046 121 L CA 0.001 54.826 54.840 -0.025 0.000 0.805 121 L CB 1.044 43.100 42.059 -0.006 0.000 1.193 121 L HN 0.675 nan 8.230 nan 0.000 0.426 122 A N 3.784 126.574 122.820 -0.050 0.000 2.319 122 A HA 0.797 5.118 4.320 0.002 0.000 0.310 122 A C -0.619 176.938 177.584 -0.045 0.000 1.152 122 A CA -0.438 51.565 52.037 -0.057 0.000 0.783 122 A CB 1.068 20.051 19.000 -0.028 0.000 1.184 122 A HN 0.651 nan 8.150 nan 0.000 0.474 123 S N 0.743 116.407 115.700 -0.059 0.000 2.500 123 S HA 0.615 5.086 4.470 0.002 0.000 0.301 123 S C -0.483 174.091 174.600 -0.043 0.000 1.092 123 S CA -0.417 57.755 58.200 -0.047 0.000 1.030 123 S CB 1.603 64.777 63.200 -0.043 0.000 1.031 123 S HN 0.617 nan 8.310 nan 0.000 0.483 124 V N 4.802 124.688 119.914 -0.047 0.000 2.427 124 V HA 0.587 4.708 4.120 0.002 0.000 0.286 124 V C -0.198 175.864 176.094 -0.054 0.000 1.034 124 V CA -0.530 61.738 62.300 -0.053 0.000 0.893 124 V CB 1.450 33.235 31.823 -0.063 0.000 0.982 124 V HN 0.680 nan 8.190 nan 0.000 0.452 125 K N 2.452 122.818 120.400 -0.057 0.000 2.480 125 K HA 0.490 4.811 4.320 0.002 0.000 0.258 125 K C 1.095 177.636 176.600 -0.097 0.000 0.990 125 K CA -0.227 56.030 56.287 -0.050 0.000 0.857 125 K CB 2.094 34.590 32.500 -0.007 0.000 1.384 125 K HN 0.608 nan 8.250 nan 0.000 0.446 126 G N 0.361 109.100 108.800 -0.102 0.000 2.459 126 G HA2 -0.162 3.799 3.960 0.002 0.000 0.217 126 G HA3 -0.162 3.799 3.960 0.002 0.000 0.217 126 G C -0.062 174.583 174.900 -0.425 0.000 1.183 126 G CA 1.407 46.370 45.100 -0.228 0.000 0.776 126 G HN 0.420 nan 8.290 nan 0.000 0.552 127 Y N -0.829 119.377 120.300 -0.156 0.000 2.570 127 Y HA 0.649 5.200 4.550 0.002 0.000 0.345 127 Y C 0.477 176.324 175.900 -0.088 0.000 1.014 127 Y CA -1.015 56.956 58.100 -0.214 0.000 1.063 127 Y CB 1.759 39.981 38.460 -0.398 0.000 1.272 127 Y HN 0.249 nan 8.280 nan 0.000 0.477 128 A N 0.927 123.831 122.820 0.139 0.000 2.386 128 A HA 0.191 4.512 4.320 0.002 0.000 0.248 128 A C 0.004 177.681 177.584 0.154 0.000 1.082 128 A CA -0.524 51.588 52.037 0.125 0.000 0.789 128 A CB 0.078 19.154 19.000 0.127 0.000 1.025 128 A HN 0.794 nan 8.150 nan 0.000 0.490 129 E N 0.275 120.532 120.200 0.096 0.000 2.415 129 E HA 0.332 4.683 4.350 0.002 0.000 0.260 129 E C 1.147 177.803 176.600 0.093 0.000 1.016 129 E CA 1.027 57.480 56.400 0.087 0.000 0.924 129 E CB -0.105 29.626 29.700 0.052 0.000 0.961 129 E HN 1.297 nan 8.360 nan 0.000 0.459 130 G N 4.010 112.870 108.800 0.100 0.000 2.238 130 G HA2 -0.243 3.718 3.960 0.002 0.000 0.217 130 G HA3 -0.243 3.718 3.960 0.002 0.000 0.217 130 G C 0.160 175.113 174.900 0.089 0.000 0.996 130 G CA 0.060 45.206 45.100 0.076 0.000 0.632 130 G HN 0.737 nan 8.290 nan 0.000 0.503 131 H N 1.261 120.362 119.070 0.051 0.000 2.790 131 H HA 0.495 5.052 4.556 0.001 0.000 0.358 131 H C 1.830 177.167 175.328 0.014 0.000 1.103 131 H CA 0.800 56.873 56.048 0.042 0.000 1.426 131 H CB 1.383 31.198 29.762 0.089 0.000 1.424 131 H HN 0.334 nan 8.280 nan 0.000 0.599 132 A N 4.336 127.201 122.820 0.075 0.000 2.024 132 A HA -0.211 4.110 4.320 0.002 0.000 0.220 132 A C 1.534 179.241 177.584 0.206 0.000 1.164 132 A CA 1.557 53.657 52.037 0.105 0.000 0.643 132 A CB -0.056 18.956 19.000 0.019 0.000 0.806 132 A HN 0.707 nan 8.150 nan 0.000 0.451 133 N N -0.221 118.581 118.700 0.170 0.000 2.251 133 N HA 0.057 4.798 4.740 0.002 0.000 0.217 133 N C 1.095 176.392 175.510 -0.356 0.000 1.124 133 N CA 0.717 53.538 53.050 -0.381 0.000 0.843 133 N CB 0.177 37.873 38.487 -1.318 0.000 1.024 133 N HN 0.848 nan 8.380 nan 0.000 0.501 134 E N 0.084 120.340 120.200 0.093 0.000 2.333 134 E HA -0.215 4.136 4.350 0.002 0.000 0.198 134 E C 0.867 177.545 176.600 0.130 0.000 1.007 134 E CA 1.134 57.617 56.400 0.138 0.000 0.845 134 E CB -0.408 29.399 29.700 0.177 0.000 0.766 134 E HN 0.644 nan 8.360 nan 0.000 0.507 135 H N -0.230 118.843 119.070 0.005 0.000 2.551 135 H HA 0.272 4.829 4.556 0.001 0.000 0.266 135 H C 0.666 176.008 175.328 0.024 0.000 0.964 135 H CA -0.471 55.587 56.048 0.016 0.000 1.180 135 H CB -0.062 29.702 29.762 0.003 0.000 1.408 135 H HN 0.010 nan 8.280 nan 0.000 0.563 136 L N 1.834 122.837 121.223 -0.366 0.000 2.439 136 L HA 0.182 4.523 4.340 0.002 0.000 0.269 136 L C 0.167 177.015 176.870 -0.036 0.000 1.179 136 L CA -0.179 54.524 54.840 -0.229 0.000 0.828 136 L CB 0.962 42.873 42.059 -0.247 0.000 1.106 136 L HN 0.264 nan 8.230 nan 0.000 0.467 137 K N 1.842 122.226 120.400 -0.027 0.000 2.201 137 K HA 0.559 4.880 4.320 0.002 0.000 0.278 137 K C -1.087 175.472 176.600 -0.069 0.000 1.027 137 K CA -0.485 55.774 56.287 -0.047 0.000 0.909 137 K CB 1.868 34.350 32.500 -0.030 0.000 1.062 137 K HN 0.257 nan 8.250 nan 0.000 0.465 138 V N 4.009 123.826 119.914 -0.163 0.000 2.638 138 V HA 0.330 4.451 4.120 0.002 0.000 0.306 138 V C -1.100 174.829 176.094 -0.275 0.000 1.052 138 V CA -0.974 61.241 62.300 -0.143 0.000 0.885 138 V CB 1.028 32.773 31.823 -0.130 0.000 0.999 138 V HN 0.618 nan 8.190 nan 0.000 0.424 139 Y N 1.009 121.298 120.300 -0.019 0.000 2.596 139 Y HA 0.386 4.937 4.550 0.001 0.000 0.326 139 Y C 1.504 177.380 175.900 -0.039 0.000 1.167 139 Y CA -0.403 57.683 58.100 -0.024 0.000 1.246 139 Y CB 0.873 39.322 38.460 -0.018 0.000 1.347 139 Y HN 0.729 nan 8.280 nan 0.000 0.515 140 E N 0.851 121.156 120.200 0.175 0.000 2.082 140 E HA -0.302 4.049 4.350 0.002 0.000 0.215 140 E C 1.276 177.894 176.600 0.030 0.000 1.048 140 E CA 2.588 59.029 56.400 0.069 0.000 0.869 140 E CB -0.206 29.530 29.700 0.060 0.000 0.773 140 E HN 0.672 nan 8.360 nan 0.000 0.466 141 N N -0.697 118.022 118.700 0.033 0.000 2.250 141 N HA -0.058 4.683 4.740 0.002 0.000 0.181 141 N C 1.861 177.377 175.510 0.009 0.000 1.017 141 N CA 1.132 54.188 53.050 0.009 0.000 0.866 141 N CB -0.286 38.200 38.487 -0.002 0.000 0.985 141 N HN 0.083 nan 8.380 nan 0.000 0.429 142 V N 1.700 121.630 119.914 0.026 0.000 2.332 142 V HA -0.249 3.872 4.120 0.002 0.000 0.248 142 V C 2.394 178.476 176.094 -0.021 0.000 1.055 142 V CA 1.927 64.240 62.300 0.022 0.000 1.038 142 V CB -0.992 30.861 31.823 0.051 0.000 0.651 142 V HN 0.295 nan 8.190 nan 0.000 0.450 143 A N -0.937 121.852 122.820 -0.052 0.000 1.902 143 A HA -0.289 4.032 4.320 0.002 0.000 0.217 143 A C 2.179 179.710 177.584 -0.089 0.000 1.181 143 A CA 1.942 53.907 52.037 -0.119 0.000 0.623 143 A CB -0.491 18.435 19.000 -0.124 0.000 0.818 143 A HN 0.634 nan 8.150 nan 0.000 0.443 144 Q N -0.918 118.854 119.800 -0.047 0.000 2.096 144 Q HA -0.206 4.135 4.340 0.002 0.000 0.204 144 Q C 2.342 178.331 176.000 -0.019 0.000 0.982 144 Q CA 1.734 57.518 55.803 -0.031 0.000 0.850 144 Q CB -0.487 28.241 28.738 -0.017 0.000 0.901 144 Q HN 0.785 nan 8.270 nan 0.000 0.422 145 C N 0.395 119.689 119.300 -0.010 0.000 2.440 145 C HA -0.090 4.371 4.460 0.002 0.000 0.278 145 C C 3.146 178.144 174.990 0.014 0.000 1.295 145 C CA 1.058 60.081 59.018 0.008 0.000 1.738 145 C CB -1.046 26.705 27.740 0.019 0.000 1.987 145 C HN 0.642 nan 8.230 nan 0.000 0.492 146 S N 0.945 116.641 115.700 -0.006 0.000 2.428 146 S HA 0.007 4.478 4.470 0.002 0.000 0.230 146 S C 1.766 176.364 174.600 -0.004 0.000 1.014 146 S CA 1.526 59.730 58.200 0.008 0.000 0.957 146 S CB -0.554 62.608 63.200 -0.063 0.000 0.784 146 S HN 0.595 nan 8.310 nan 0.000 0.499 147 G N -0.389 108.389 108.800 -0.037 0.000 3.088 147 G HA2 0.466 4.427 3.960 0.002 0.000 0.217 147 G HA3 0.466 4.427 3.960 0.002 0.000 0.217 147 G C 0.992 175.891 174.900 -0.003 0.000 1.159 147 G CA 0.031 45.111 45.100 -0.033 0.000 0.760 147 G HN 1.345 nan 8.290 nan 0.000 0.550 148 G N -0.852 107.955 108.800 0.012 0.000 2.195 148 G HA2 -0.050 3.911 3.960 0.002 0.000 0.224 148 G HA3 -0.050 3.911 3.960 0.002 0.000 0.224 148 G C 1.346 176.260 174.900 0.023 0.000 0.990 148 G CA 0.935 46.050 45.100 0.025 0.000 0.639 148 G HN 1.038 nan 8.290 nan 0.000 0.514 149 A N 0.622 123.447 122.820 0.009 0.000 1.872 149 A HA 0.515 4.836 4.320 0.002 0.000 0.214 149 A C 2.807 180.396 177.584 0.008 0.000 1.187 149 A CA 2.671 54.711 52.037 0.005 0.000 0.614 149 A CB -0.875 18.120 19.000 -0.008 0.000 0.826 149 A HN 1.718 nan 8.150 nan 0.000 0.442 150 A N -0.053 122.772 122.820 0.008 0.000 1.902 150 A HA 0.181 4.502 4.320 0.002 0.000 0.217 150 A C 2.460 180.058 177.584 0.023 0.000 1.181 150 A CA 1.958 54.002 52.037 0.011 0.000 0.623 150 A CB -0.993 18.014 19.000 0.010 0.000 0.818 150 A HN 1.086 nan 8.150 nan 0.000 0.443 151 A N -0.477 122.362 122.820 0.033 0.000 2.024 151 A HA -0.056 4.265 4.320 0.002 0.000 0.220 151 A C 2.069 179.690 177.584 0.062 0.000 1.164 151 A CA 2.236 54.301 52.037 0.047 0.000 0.643 151 A CB -0.878 18.153 19.000 0.051 0.000 0.806 151 A HN 0.835 nan 8.150 nan 0.000 0.451 152 T N -4.454 110.133 114.554 0.055 0.000 3.129 152 T HA 0.307 4.658 4.350 0.002 0.000 0.267 152 T C 0.183 174.906 174.700 0.037 0.000 1.018 152 T CA 0.272 62.416 62.100 0.075 0.000 0.903 152 T CB 0.104 69.025 68.868 0.088 0.000 1.067 152 T HN 0.096 nan 8.240 nan 0.000 0.549 153 T N 1.552 116.112 114.554 0.010 0.000 2.824 153 T HA 0.717 5.068 4.350 0.002 0.000 0.282 153 T C 0.398 175.076 174.700 -0.036 0.000 0.993 153 T CA 0.100 62.182 62.100 -0.030 0.000 0.967 153 T CB 1.374 70.224 68.868 -0.030 0.000 0.960 153 T HN 0.783 nan 8.240 nan 0.000 0.441 154 G N 2.187 110.931 108.800 -0.093 0.000 2.342 154 G HA2 0.092 4.053 3.960 0.002 0.000 0.220 154 G HA3 0.092 4.053 3.960 0.002 0.000 0.220 154 G C -1.556 173.226 174.900 -0.196 0.000 1.243 154 G CA -0.992 44.071 45.100 -0.061 0.000 1.083 154 G HN 0.541 nan 8.290 nan 0.000 0.500 155 F N 0.272 120.105 119.950 -0.196 0.000 2.497 155 F HA 0.569 5.097 4.527 0.001 0.000 0.331 155 F C 1.554 177.198 175.800 -0.261 0.000 1.060 155 F CA 0.234 57.987 58.000 -0.412 0.000 0.989 155 F CB 1.233 39.807 39.000 -0.710 0.000 1.245 155 F HN 0.746 nan 8.300 nan 0.000 0.486 156 W N -0.152 121.284 121.300 0.227 0.000 2.374 156 W HA -0.085 4.576 4.660 0.002 0.000 0.288 156 W C 1.153 177.737 176.519 0.108 0.000 1.218 156 W CA 1.150 58.572 57.345 0.129 0.000 1.245 156 W CB -0.887 28.631 29.460 0.098 0.000 1.126 156 W HN 0.404 nan 8.180 nan 0.000 0.545 157 D N -0.139 120.215 120.400 -0.076 0.000 2.342 157 D HA 0.253 4.894 4.640 0.002 0.000 0.221 157 D C 0.859 177.141 176.300 -0.029 0.000 1.101 157 D CA 0.306 54.323 54.000 0.027 0.000 0.837 157 D CB -0.378 40.448 40.800 0.044 0.000 0.938 157 D HN 0.188 nan 8.370 nan 0.000 0.508 158 G N 0.407 109.186 108.800 -0.035 0.000 3.013 158 G HA2 0.604 4.565 3.960 0.002 0.000 0.278 158 G HA3 0.604 4.565 3.960 0.002 0.000 0.278 158 G C -2.800 172.109 174.900 0.015 0.000 1.353 158 G CA -1.447 43.642 45.100 -0.020 0.000 1.043 158 G HN -0.056 nan 8.290 nan 0.000 0.523 159 P HA 0.365 nan 4.420 nan 0.000 0.278 159 P C -2.775 174.539 177.300 0.023 0.000 1.266 159 P CA -1.486 61.625 63.100 0.019 0.000 0.807 159 P CB 0.506 32.212 31.700 0.009 0.000 1.094 160 P HA 0.091 nan 4.420 nan 0.000 0.265 160 P C -0.501 176.806 177.300 0.012 0.000 1.187 160 P CA 0.819 63.933 63.100 0.023 0.000 0.766 160 P CB -0.039 31.676 31.700 0.025 0.000 0.820 161 T N 1.657 116.215 114.554 0.007 0.000 2.841 161 T HA 0.384 4.735 4.350 0.002 0.000 0.285 161 T C -0.059 174.635 174.700 -0.009 0.000 0.991 161 T CA -0.682 61.417 62.100 -0.002 0.000 0.966 161 T CB 0.977 69.844 68.868 -0.002 0.000 0.962 161 T HN 0.304 nan 8.240 nan 0.000 0.438 162 V N 1.974 121.881 119.914 -0.012 0.000 2.811 162 V HA 0.594 4.715 4.120 0.002 0.000 0.302 162 V C 0.197 176.278 176.094 -0.021 0.000 1.063 162 V CA -0.276 62.015 62.300 -0.015 0.000 1.088 162 V CB 0.876 32.689 31.823 -0.017 0.000 0.982 162 V HN 0.826 nan 8.190 nan 0.000 0.485 163 S N 3.327 119.014 115.700 -0.021 0.000 2.541 163 S HA 0.551 5.022 4.470 0.002 0.000 0.283 163 S C 1.259 175.846 174.600 -0.023 0.000 1.196 163 S CA 0.080 58.264 58.200 -0.026 0.000 1.062 163 S CB 1.425 64.610 63.200 -0.026 0.000 1.009 163 S HN 1.237 nan 8.310 nan 0.000 0.502 164 G N 1.613 110.397 108.800 -0.027 0.000 2.422 164 G HA2 0.117 4.078 3.960 0.002 0.000 0.218 164 G HA3 0.117 4.078 3.960 0.002 0.000 0.218 164 G C 0.560 175.452 174.900 -0.014 0.000 1.140 164 G CA 0.435 45.520 45.100 -0.023 0.000 0.775 164 G HN 0.927 nan 8.290 nan 0.000 0.545 165 A N 0.456 123.267 122.820 -0.014 0.000 2.520 165 A HA 0.571 4.892 4.320 0.002 0.000 0.245 165 A C 0.858 178.448 177.584 0.011 0.000 1.072 165 A CA 0.404 52.440 52.037 -0.002 0.000 0.761 165 A CB 0.276 19.270 19.000 -0.010 0.000 1.004 165 A HN 0.999 nan 8.150 nan 0.000 0.499 166 A N 3.460 126.300 122.820 0.033 0.000 2.915 166 A HA 0.433 4.754 4.320 0.002 0.000 0.292 166 A C 1.005 178.614 177.584 0.042 0.000 1.632 166 A CA -0.370 51.696 52.037 0.048 0.000 1.337 166 A CB -0.738 18.318 19.000 0.094 0.000 1.111 166 A HN 0.874 nan 8.150 nan 0.000 0.569 167 L N 1.673 122.907 121.223 0.019 0.000 2.141 167 L HA -0.086 4.255 4.340 0.002 0.000 0.209 167 L C 2.619 179.486 176.870 -0.006 0.000 1.094 167 L CA 1.336 56.181 54.840 0.009 0.000 0.763 167 L CB -0.510 41.544 42.059 -0.008 0.000 0.908 167 L HN 0.681 nan 8.230 nan 0.000 0.437 168 G N 0.027 108.822 108.800 -0.008 0.000 2.496 168 G HA2 -0.185 3.776 3.960 0.002 0.000 0.214 168 G HA3 -0.185 3.776 3.960 0.002 0.000 0.214 168 G C 0.876 175.771 174.900 -0.009 0.000 1.234 168 G CA 0.870 45.953 45.100 -0.028 0.000 0.807 168 G HN 0.261 nan 8.290 nan 0.000 0.543 169 D N 0.028 120.444 120.400 0.026 0.000 2.121 169 D HA 0.050 4.691 4.640 0.002 0.000 0.209 169 D C 2.885 179.236 176.300 0.085 0.000 0.981 169 D CA 1.258 55.284 54.000 0.043 0.000 0.875 169 D CB -0.197 40.637 40.800 0.057 0.000 1.016 169 D HN 0.176 nan 8.370 nan 0.000 0.452 170 S N 0.040 115.825 115.700 0.141 0.000 2.400 170 S HA -0.187 4.284 4.470 0.002 0.000 0.232 170 S C 1.673 176.347 174.600 0.124 0.000 1.025 170 S CA 1.088 59.390 58.200 0.170 0.000 0.993 170 S CB -0.379 62.938 63.200 0.193 0.000 0.808 170 S HN 0.224 nan 8.310 nan 0.000 0.478 171 N N 1.309 120.077 118.700 0.112 0.000 2.142 171 N HA -0.044 4.697 4.740 0.002 0.000 0.186 171 N C 1.640 177.284 175.510 0.224 0.000 1.023 171 N CA 1.764 54.909 53.050 0.158 0.000 0.852 171 N CB -0.415 38.143 38.487 0.117 0.000 0.998 171 N HN 0.175 nan 8.380 nan 0.000 0.424 172 S N -0.841 114.918 115.700 0.099 0.000 2.383 172 S HA -0.043 4.428 4.470 0.002 0.000 0.229 172 S C 1.924 176.582 174.600 0.095 0.000 1.030 172 S CA 1.188 59.424 58.200 0.061 0.000 1.002 172 S CB -0.978 62.211 63.200 -0.019 0.000 0.829 172 S HN 0.640 nan 8.310 nan 0.000 0.467 173 G N 1.655 110.505 108.800 0.084 0.000 2.422 173 G HA2 -0.169 3.792 3.960 0.002 0.000 0.218 173 G HA3 -0.169 3.792 3.960 0.002 0.000 0.218 173 G C 1.339 176.287 174.900 0.078 0.000 1.146 173 G CA 0.818 45.960 45.100 0.071 0.000 0.769 173 G HN 0.306 nan 8.290 nan 0.000 0.547 174 M N 0.118 119.777 119.600 0.099 0.000 2.132 174 M HA 0.038 4.519 4.480 0.002 0.000 0.263 174 M C 2.168 178.479 176.300 0.017 0.000 1.065 174 M CA 1.098 56.440 55.300 0.069 0.000 1.122 174 M CB -1.348 31.291 32.600 0.064 0.000 1.365 174 M HN 0.306 nan 8.290 nan 0.000 0.411 175 H N -0.183 118.903 119.070 0.027 0.000 2.387 175 H HA -0.110 4.447 4.556 0.002 0.000 0.299 175 H C 1.870 177.198 175.328 -0.000 0.000 1.090 175 H CA 1.440 57.495 56.048 0.011 0.000 1.332 175 H CB -0.161 29.602 29.762 0.002 0.000 1.386 175 H HN 0.139 nan 8.280 nan 0.000 0.516 176 L N -0.038 121.250 121.223 0.109 0.000 2.141 176 L HA -0.127 4.214 4.340 0.002 0.000 0.209 176 L C 2.270 179.152 176.870 0.020 0.000 1.094 176 L CA 1.389 56.256 54.840 0.045 0.000 0.763 176 L CB -0.440 41.633 42.059 0.023 0.000 0.908 176 L HN 0.322 nan 8.230 nan 0.000 0.437 177 M N -1.334 118.278 119.600 0.019 0.000 2.159 177 M HA -0.219 4.262 4.480 0.002 0.000 0.263 177 M C 2.083 178.371 176.300 -0.020 0.000 1.063 177 M CA 1.773 57.073 55.300 -0.001 0.000 1.110 177 M CB -0.111 32.495 32.600 0.011 0.000 1.374 177 M HN 0.298 nan 8.290 nan 0.000 0.411 178 I N -0.415 120.140 120.570 -0.025 0.000 2.179 178 I HA -0.203 3.968 4.170 0.002 0.000 0.242 178 I C 2.516 178.624 176.117 -0.015 0.000 1.088 178 I CA 1.445 62.725 61.300 -0.034 0.000 1.357 178 I CB -1.110 36.862 38.000 -0.046 0.000 1.051 178 I HN 0.437 nan 8.210 nan 0.000 0.409 179 G N 1.138 109.937 108.800 -0.001 0.000 2.440 179 G HA2 -0.216 3.745 3.960 0.002 0.000 0.218 179 G HA3 -0.216 3.745 3.960 0.002 0.000 0.218 179 G C 1.705 176.596 174.900 -0.014 0.000 1.154 179 G CA 0.781 45.877 45.100 -0.005 0.000 0.767 179 G HN 0.322 nan 8.290 nan 0.000 0.552 180 I N 0.211 120.772 120.570 -0.014 0.000 2.202 180 I HA -0.109 4.061 4.170 0.002 0.000 0.242 180 I C 2.647 178.759 176.117 -0.009 0.000 1.091 180 I CA 0.724 62.016 61.300 -0.014 0.000 1.368 180 I CB -0.178 37.815 38.000 -0.013 0.000 1.058 180 I HN 0.109 nan 8.210 nan 0.000 0.410 181 L N 0.299 121.513 121.223 -0.014 0.000 2.201 181 L HA -0.138 4.203 4.340 0.002 0.000 0.212 181 L C 2.726 179.598 176.870 0.003 0.000 1.105 181 L CA 1.021 55.855 54.840 -0.011 0.000 0.775 181 L CB -0.625 41.415 42.059 -0.031 0.000 0.913 181 L HN 0.225 nan 8.230 nan 0.000 0.440 182 A N 0.033 122.853 122.820 -0.000 0.000 1.897 182 A HA -0.085 4.236 4.320 0.002 0.000 0.215 182 A C 2.560 180.155 177.584 0.018 0.000 1.181 182 A CA 1.410 53.451 52.037 0.008 0.000 0.620 182 A CB -0.647 18.354 19.000 0.002 0.000 0.821 182 A HN 0.349 nan 8.150 nan 0.000 0.443 183 A N -0.143 122.683 122.820 0.010 0.000 1.940 183 A HA -0.086 4.235 4.320 0.002 0.000 0.219 183 A C 2.136 179.737 177.584 0.027 0.000 1.176 183 A CA 1.541 53.587 52.037 0.014 0.000 0.631 183 A CB -0.616 18.383 19.000 -0.001 0.000 0.814 183 A HN 0.478 nan 8.150 nan 0.000 0.446 184 L N -1.050 120.191 121.223 0.031 0.000 2.141 184 L HA -0.174 4.167 4.340 0.002 0.000 0.209 184 L C 2.621 179.578 176.870 0.145 0.000 1.094 184 L CA 1.593 56.462 54.840 0.049 0.000 0.763 184 L CB -0.341 41.749 42.059 0.051 0.000 0.908 184 L HN 0.472 nan 8.230 nan 0.000 0.437 185 E N 0.996 121.269 120.200 0.122 0.000 2.072 185 E HA -0.182 4.168 4.350 0.002 0.000 0.190 185 E C 1.987 178.667 176.600 0.133 0.000 0.982 185 E CA 1.278 57.761 56.400 0.138 0.000 0.803 185 E CB -0.145 29.588 29.700 0.055 0.000 0.755 185 E HN 0.547 nan 8.360 nan 0.000 0.453 186 I N -0.836 119.784 120.570 0.083 0.000 2.353 186 I HA -0.093 4.078 4.170 0.002 0.000 0.248 186 I C 2.644 178.800 176.117 0.065 0.000 1.119 186 I CA 1.007 62.348 61.300 0.067 0.000 1.417 186 I CB -0.490 37.538 38.000 0.047 0.000 1.078 186 I HN -0.039 nan 8.210 nan 0.000 0.421 187 R N 0.788 121.312 120.500 0.040 0.000 2.139 187 R HA -0.220 4.121 4.340 0.002 0.000 0.243 187 R C 2.260 178.525 176.300 -0.059 0.000 1.145 187 R CA 1.815 57.903 56.100 -0.020 0.000 0.976 187 R CB -0.419 29.840 30.300 -0.067 0.000 0.866 187 R HN 0.482 nan 8.270 nan 0.000 0.449 188 H N -0.633 118.442 119.070 0.008 0.000 2.456 188 H HA -0.073 4.484 4.556 0.002 0.000 0.296 188 H C 1.791 177.122 175.328 0.005 0.000 1.079 188 H CA 1.859 57.909 56.048 0.004 0.000 1.322 188 H CB 0.256 30.017 29.762 -0.001 0.000 1.388 188 H HN 0.189 nan 8.280 nan 0.000 0.538 189 K N -0.818 119.650 120.400 0.114 0.000 2.078 189 K HA -0.020 4.301 4.320 0.002 0.000 0.203 189 K C 2.297 178.922 176.600 0.042 0.000 1.043 189 K CA 1.500 57.828 56.287 0.068 0.000 0.960 189 K CB 0.190 32.724 32.500 0.056 0.000 0.761 189 K HN 0.328 nan 8.250 nan 0.000 0.448 190 T N -2.760 111.815 114.554 0.035 0.000 3.035 190 T HA 0.125 4.476 4.350 0.002 0.000 0.259 190 T C 1.532 176.241 174.700 0.014 0.000 1.078 190 T CA 0.600 62.716 62.100 0.026 0.000 1.132 190 T CB 0.143 69.031 68.868 0.033 0.000 0.900 190 T HN 0.340 nan 8.240 nan 0.000 0.480 191 G N 1.784 110.585 108.800 0.002 0.000 2.153 191 G HA2 -0.212 3.749 3.960 0.002 0.000 0.252 191 G HA3 -0.212 3.749 3.960 0.002 0.000 0.252 191 G C 0.023 174.919 174.900 -0.007 0.000 0.994 191 G CA -0.014 45.077 45.100 -0.015 0.000 0.698 191 G HN 0.662 nan 8.290 nan 0.000 0.521 192 R N -0.265 120.243 120.500 0.012 0.000 2.750 192 R HA 0.663 5.004 4.340 0.002 0.000 0.281 192 R C 0.652 176.996 176.300 0.072 0.000 0.972 192 R CA -0.111 56.011 56.100 0.036 0.000 0.912 192 R CB 1.352 31.680 30.300 0.046 0.000 1.187 192 R HN 0.385 nan 8.270 nan 0.000 0.464 193 G N 0.564 109.436 108.800 0.119 0.000 2.537 193 G HA2 0.386 4.347 3.960 0.002 0.000 0.273 193 G HA3 0.386 4.347 3.960 0.002 0.000 0.273 193 G C -0.627 174.482 174.900 0.348 0.000 1.189 193 G CA -0.174 45.050 45.100 0.206 0.000 0.881 193 G HN 0.357 nan 8.290 nan 0.000 0.535 194 Q N -0.929 119.025 119.800 0.257 0.000 2.456 194 Q HA 0.307 4.648 4.340 0.002 0.000 0.283 194 Q C -0.878 174.860 176.000 -0.437 0.000 1.084 194 Q CA -0.886 54.979 55.803 0.104 0.000 0.801 194 Q CB 2.911 31.669 28.738 0.034 0.000 1.434 194 Q HN 0.516 nan 8.270 nan 0.000 0.419 195 K N 1.309 121.148 120.400 -0.935 0.000 2.234 195 K HA 0.430 4.751 4.320 0.002 0.000 0.282 195 K C -1.334 175.002 176.600 -0.440 0.000 1.039 195 K CA -0.219 55.462 56.287 -1.012 0.000 0.928 195 K CB 1.161 32.806 32.500 -1.424 0.000 1.039 195 K HN 0.354 nan 8.250 nan 0.000 0.470 196 V N 3.359 123.095 119.914 -0.296 0.000 2.540 196 V HA 0.756 4.877 4.120 0.002 0.000 0.302 196 V C -1.350 174.668 176.094 -0.127 0.000 1.035 196 V CA -0.411 61.791 62.300 -0.163 0.000 0.873 196 V CB 1.569 33.333 31.823 -0.098 0.000 0.992 196 V HN 0.934 nan 8.190 nan 0.000 0.428 197 A N 5.539 128.304 122.820 -0.092 0.000 2.414 197 A HA 0.891 5.212 4.320 0.002 0.000 0.306 197 A C -1.414 176.148 177.584 -0.037 0.000 1.054 197 A CA -0.557 51.442 52.037 -0.064 0.000 0.724 197 A CB 2.156 21.119 19.000 -0.061 0.000 1.267 197 A HN 0.946 nan 8.150 nan 0.000 0.418 198 V N 1.691 121.585 119.914 -0.032 0.000 2.444 198 V HA 0.649 4.770 4.120 0.002 0.000 0.294 198 V C 0.537 176.597 176.094 -0.055 0.000 1.022 198 V CA -0.375 61.906 62.300 -0.032 0.000 0.850 198 V CB 1.402 33.221 31.823 -0.006 0.000 0.992 198 V HN 1.270 nan 8.190 nan 0.000 0.426 199 A N 4.957 127.736 122.820 -0.069 0.000 2.327 199 A HA 0.599 4.920 4.320 0.002 0.000 0.283 199 A C 1.042 178.531 177.584 -0.158 0.000 1.127 199 A CA -0.388 51.585 52.037 -0.107 0.000 0.810 199 A CB 0.569 19.514 19.000 -0.091 0.000 1.066 199 A HN 0.906 nan 8.150 nan 0.000 0.492 200 M N 0.636 120.117 119.600 -0.198 0.000 2.159 200 M HA -0.196 4.285 4.480 0.002 0.000 0.263 200 M C 2.263 178.419 176.300 -0.240 0.000 1.063 200 M CA 1.945 57.122 55.300 -0.205 0.000 1.110 200 M CB -0.252 32.225 32.600 -0.204 0.000 1.374 200 M HN 0.984 nan 8.290 nan 0.000 0.411 201 Q N 0.803 120.402 119.800 -0.335 0.000 2.050 201 Q HA -0.226 4.115 4.340 0.002 0.000 0.202 201 Q C 1.223 177.123 176.000 -0.167 0.000 0.980 201 Q CA 1.936 57.565 55.803 -0.290 0.000 0.840 201 Q CB 0.033 28.523 28.738 -0.415 0.000 0.898 201 Q HN 0.444 nan 8.270 nan 0.000 0.424 202 D N 0.304 120.615 120.400 -0.147 0.000 2.117 202 D HA -0.136 4.505 4.640 0.002 0.000 0.197 202 D C 1.714 177.901 176.300 -0.189 0.000 0.987 202 D CA 1.429 55.361 54.000 -0.113 0.000 0.829 202 D CB -0.351 40.401 40.800 -0.079 0.000 0.961 202 D HN 0.414 nan 8.370 nan 0.000 0.460 203 A N 0.482 123.137 122.820 -0.275 0.000 1.933 203 A HA -0.126 4.195 4.320 0.002 0.000 0.218 203 A C 2.462 179.866 177.584 -0.299 0.000 1.175 203 A CA 1.195 52.940 52.037 -0.485 0.000 0.628 203 A CB -0.665 18.078 19.000 -0.428 0.000 0.814 203 A HN 0.155 nan 8.150 nan 0.000 0.444 204 V N -0.147 119.662 119.914 -0.174 0.000 2.307 204 V HA -0.227 3.894 4.120 0.002 0.000 0.245 204 V C 2.521 178.574 176.094 -0.068 0.000 1.045 204 V CA 1.812 64.054 62.300 -0.097 0.000 1.024 204 V CB -0.786 30.986 31.823 -0.084 0.000 0.651 204 V HN 0.558 nan 8.190 nan 0.000 0.449 205 L N 0.399 121.580 121.223 -0.070 0.000 2.079 205 L HA -0.225 4.116 4.340 0.002 0.000 0.210 205 L C 2.447 179.301 176.870 -0.025 0.000 1.081 205 L CA 1.852 56.672 54.840 -0.034 0.000 0.752 205 L CB -0.632 41.414 42.059 -0.022 0.000 0.896 205 L HN 0.424 nan 8.230 nan 0.000 0.433 206 N N 0.097 118.765 118.700 -0.054 0.000 2.149 206 N HA -0.177 4.564 4.740 0.002 0.000 0.188 206 N C 1.671 177.199 175.510 0.031 0.000 1.019 206 N CA 1.280 54.325 53.050 -0.009 0.000 0.857 206 N CB -0.074 38.403 38.487 -0.017 0.000 0.997 206 N HN 0.259 nan 8.380 nan 0.000 0.426 207 L N -0.919 120.315 121.223 0.019 0.000 2.492 207 L HA 0.092 4.433 4.340 0.002 0.000 0.223 207 L C 1.072 177.954 176.870 0.020 0.000 1.132 207 L CA 0.271 55.132 54.840 0.034 0.000 0.850 207 L CB 0.204 42.285 42.059 0.036 0.000 0.966 207 L HN 0.024 nan 8.230 nan 0.000 0.454 208 V N -0.275 119.647 119.914 0.014 0.000 3.271 208 V HA 0.063 4.184 4.120 0.002 0.000 0.327 208 V C 2.084 178.194 176.094 0.027 0.000 1.389 208 V CA 0.200 62.512 62.300 0.020 0.000 1.156 208 V CB 0.056 31.888 31.823 0.015 0.000 1.103 208 V HN 0.329 nan 8.190 nan 0.000 0.453 209 R N 1.228 121.743 120.500 0.025 0.000 2.117 209 R HA -0.205 4.136 4.340 0.002 0.000 0.243 209 R C 2.146 178.464 176.300 0.031 0.000 1.143 209 R CA 2.505 58.621 56.100 0.026 0.000 0.968 209 R CB -0.285 30.031 30.300 0.026 0.000 0.863 209 R HN 0.748 nan 8.270 nan 0.000 0.444 210 I N -1.299 119.292 120.570 0.036 0.000 2.454 210 I HA -0.175 3.996 4.170 0.002 0.000 0.254 210 I C 1.298 177.455 176.117 0.067 0.000 1.156 210 I CA 1.233 62.561 61.300 0.047 0.000 1.433 210 I CB -0.249 37.780 38.000 0.048 0.000 1.082 210 I HN -0.055 nan 8.210 nan 0.000 0.432 211 K N 1.157 121.598 120.400 0.068 0.000 2.228 211 K HA 0.050 4.371 4.320 0.002 0.000 0.202 211 K C 2.067 178.703 176.600 0.060 0.000 1.051 211 K CA 0.907 57.245 56.287 0.085 0.000 0.960 211 K CB -0.513 32.037 32.500 0.083 0.000 0.743 211 K HN 0.324 nan 8.250 nan 0.000 0.458 212 L N 1.752 123.001 121.223 0.043 0.000 2.156 212 L HA -0.014 4.327 4.340 0.002 0.000 0.208 212 L C 2.470 179.353 176.870 0.022 0.000 1.095 212 L CA 1.416 56.274 54.840 0.030 0.000 0.770 212 L CB -0.332 41.742 42.059 0.025 0.000 0.914 212 L HN 0.050 nan 8.230 nan 0.000 0.439 213 R N -0.482 120.033 120.500 0.026 0.000 2.073 213 R HA -0.170 4.171 4.340 0.002 0.000 0.234 213 R C 1.670 177.976 176.300 0.010 0.000 1.134 213 R CA 1.970 58.080 56.100 0.016 0.000 0.952 213 R CB -0.347 29.966 30.300 0.022 0.000 0.850 213 R HN 0.387 nan 8.270 nan 0.000 0.433 214 D N 0.139 120.555 120.400 0.027 0.000 2.178 214 D HA -0.151 4.490 4.640 0.002 0.000 0.202 214 D C 1.875 178.154 176.300 -0.034 0.000 0.974 214 D CA 0.883 54.884 54.000 0.001 0.000 0.841 214 D CB -0.181 40.656 40.800 0.061 0.000 0.953 214 D HN 0.227 nan 8.370 nan 0.000 0.478 215 Q N 1.064 120.862 119.800 -0.003 0.000 2.084 215 Q HA -0.161 4.180 4.340 0.002 0.000 0.202 215 Q C 1.962 177.951 176.000 -0.017 0.000 0.978 215 Q CA 1.599 57.399 55.803 -0.005 0.000 0.844 215 Q CB -0.159 28.588 28.738 0.015 0.000 0.898 215 Q HN 0.345 nan 8.270 nan 0.000 0.426 216 Q N -0.624 119.167 119.800 -0.015 0.000 2.079 216 Q HA -0.092 4.249 4.340 0.002 0.000 0.200 216 Q C 2.230 178.207 176.000 -0.038 0.000 0.974 216 Q CA 1.261 57.052 55.803 -0.020 0.000 0.840 216 Q CB -0.124 28.606 28.738 -0.014 0.000 0.898 216 Q HN 0.321 nan 8.270 nan 0.000 0.430 217 R N 0.312 120.782 120.500 -0.050 0.000 2.091 217 R HA -0.176 4.165 4.340 0.002 0.000 0.238 217 R C 2.286 178.522 176.300 -0.107 0.000 1.136 217 R CA 1.178 57.233 56.100 -0.076 0.000 0.959 217 R CB -0.439 29.811 30.300 -0.083 0.000 0.856 217 R HN 0.170 nan 8.270 nan 0.000 0.437 218 L N 1.568 122.722 121.223 -0.116 0.000 2.056 218 L HA -0.138 4.202 4.340 0.002 0.000 0.207 218 L C 1.702 178.533 176.870 -0.064 0.000 1.078 218 L CA 1.813 56.580 54.840 -0.122 0.000 0.749 218 L CB -0.353 41.654 42.059 -0.087 0.000 0.901 218 L HN 0.112 nan 8.230 nan 0.000 0.433 219 E N -0.806 119.370 120.200 -0.041 0.000 2.077 219 E HA -0.213 4.138 4.350 0.002 0.000 0.193 219 E C 2.285 178.867 176.600 -0.030 0.000 0.989 219 E CA 1.277 57.662 56.400 -0.024 0.000 0.800 219 E CB -0.069 29.622 29.700 -0.015 0.000 0.746 219 E HN 0.458 nan 8.360 nan 0.000 0.452 220 R N -0.324 120.152 120.500 -0.040 0.000 2.119 220 R HA -0.027 4.314 4.340 0.002 0.000 0.222 220 R C 2.256 178.529 176.300 -0.045 0.000 1.088 220 R CA 1.711 57.788 56.100 -0.038 0.000 0.984 220 R CB 0.135 30.412 30.300 -0.038 0.000 0.884 220 R HN 0.227 nan 8.270 nan 0.000 0.447 221 T N -5.235 109.280 114.554 -0.064 0.000 2.959 221 T HA 0.244 4.595 4.350 0.002 0.000 0.254 221 T C 1.374 176.024 174.700 -0.082 0.000 1.003 221 T CA 0.390 62.445 62.100 -0.074 0.000 0.950 221 T CB 1.197 70.009 68.868 -0.093 0.000 1.090 221 T HN 0.289 nan 8.240 nan 0.000 0.503 222 G N 1.360 110.111 108.800 -0.082 0.000 2.184 222 G HA2 -0.208 3.753 3.960 0.002 0.000 0.264 222 G HA3 -0.208 3.753 3.960 0.002 0.000 0.264 222 G C -0.084 174.747 174.900 -0.117 0.000 0.975 222 G CA 0.445 45.510 45.100 -0.060 0.000 0.642 222 G HN 0.823 nan 8.290 nan 0.000 0.536 223 I N -0.429 119.976 120.570 -0.275 0.000 2.841 223 I HA 0.565 4.736 4.170 0.002 0.000 0.298 223 I C -1.119 174.551 176.117 -0.745 0.000 1.304 223 I CA -1.291 59.660 61.300 -0.582 0.000 1.019 223 I CB 1.758 39.564 38.000 -0.323 0.000 1.282 223 I HN -0.035 nan 8.210 nan 0.000 0.432 224 L N 7.154 127.576 121.223 -1.335 0.000 2.384 224 L HA 0.496 4.837 4.340 0.002 0.000 0.261 224 L C 0.963 177.592 176.870 -0.403 0.000 1.024 224 L CA -0.284 54.106 54.840 -0.751 0.000 0.899 224 L CB 1.495 43.023 42.059 -0.885 0.000 1.243 224 L HN 0.779 nan 8.230 nan 0.000 0.449 225 A N 2.261 124.983 122.820 -0.164 0.000 1.933 225 A HA -0.145 4.176 4.320 0.002 0.000 0.218 225 A C 2.045 179.652 177.584 0.038 0.000 1.175 225 A CA 1.539 53.544 52.037 -0.053 0.000 0.628 225 A CB -0.154 18.828 19.000 -0.029 0.000 0.814 225 A HN 0.801 nan 8.150 nan 0.000 0.444 226 E N -1.030 119.264 120.200 0.157 0.000 2.511 226 E HA -0.092 4.259 4.350 0.002 0.000 0.196 226 E C -0.481 176.259 176.600 0.234 0.000 1.066 226 E CA -0.012 56.499 56.400 0.185 0.000 0.871 226 E CB -0.395 29.533 29.700 0.381 0.000 0.863 226 E HN 0.548 nan 8.360 nan 0.000 0.520 227 Y N 1.130 121.502 120.300 0.119 0.000 2.301 227 Y HA 0.194 4.745 4.550 0.002 0.000 0.328 227 Y C -1.321 174.650 175.900 0.118 0.000 1.242 227 Y CA -2.272 55.951 58.100 0.206 0.000 1.323 227 Y CB 0.886 39.593 38.460 0.413 0.000 1.266 227 Y HN -0.132 nan 8.280 nan 0.000 0.527 228 P HA -0.150 nan 4.420 nan 0.000 0.222 228 P C 0.620 177.860 177.300 -0.101 0.000 1.147 228 P CA 1.421 64.476 63.100 -0.076 0.000 0.790 228 P CB 0.311 31.918 31.700 -0.155 0.000 0.780 229 Q N -1.125 118.640 119.800 -0.059 0.000 2.435 229 Q HA 0.107 4.448 4.340 0.002 0.000 0.207 229 Q C 1.878 177.852 176.000 -0.045 0.000 0.956 229 Q CA 1.125 56.784 55.803 -0.240 0.000 0.917 229 Q CB -0.601 27.797 28.738 -0.565 0.000 0.997 229 Q HN 0.186 nan 8.270 nan 0.000 0.497 230 A N -0.507 122.432 122.820 0.198 0.000 2.303 230 A HA 0.075 4.396 4.320 0.002 0.000 0.217 230 A C 0.303 177.889 177.584 0.002 0.000 1.205 230 A CA -0.185 51.961 52.037 0.181 0.000 0.875 230 A CB 0.378 19.515 19.000 0.228 0.000 0.910 230 A HN 0.074 nan 8.150 nan 0.000 0.501 231 Q N 0.974 120.737 119.800 -0.061 0.000 2.304 231 Q HA 0.248 4.589 4.340 0.002 0.000 0.260 231 Q C -2.558 173.392 176.000 -0.083 0.000 0.965 231 Q CA -2.223 53.498 55.803 -0.138 0.000 0.898 231 Q CB -0.101 28.460 28.738 -0.295 0.000 1.196 231 Q HN 0.130 nan 8.270 nan 0.000 0.402 232 P HA -0.124 nan 4.420 nan 0.000 0.258 232 P C 0.059 177.368 177.300 0.016 0.000 1.172 232 P CA 0.383 63.456 63.100 -0.045 0.000 0.762 232 P CB 0.167 31.832 31.700 -0.059 0.000 0.764 233 N N 1.773 120.478 118.700 0.008 0.000 2.707 233 N HA -0.255 4.486 4.740 0.002 0.000 0.253 233 N C -0.121 175.510 175.510 0.203 0.000 0.998 233 N CA 0.554 53.668 53.050 0.108 0.000 0.751 233 N CB -1.246 37.361 38.487 0.199 0.000 0.920 233 N HN 0.399 nan 8.380 nan 0.000 0.539 234 F N -0.460 119.369 119.950 -0.203 0.000 2.532 234 F HA 0.511 5.039 4.527 0.002 0.000 0.278 234 F C 0.959 176.615 175.800 -0.240 0.000 0.975 234 F CA 0.720 58.642 58.000 -0.128 0.000 1.292 234 F CB -0.185 38.691 39.000 -0.208 0.000 1.112 234 F HN 0.124 nan 8.300 nan 0.000 0.703 235 A N 0.744 123.088 122.820 -0.793 0.000 2.292 235 A HA 0.615 4.935 4.320 0.002 0.000 0.319 235 A C -1.610 175.413 177.584 -0.936 0.000 1.206 235 A CA -0.152 51.309 52.037 -0.960 0.000 0.835 235 A CB -0.145 18.094 19.000 -1.269 0.000 1.164 235 A HN 0.273 nan 8.150 nan 0.000 0.505 236 F N 0.616 120.552 119.950 -0.022 0.000 2.613 236 F HA 0.407 4.935 4.527 0.001 0.000 0.310 236 F C 0.114 176.017 175.800 0.171 0.000 1.085 236 F CA -0.794 57.237 58.000 0.051 0.000 0.945 236 F CB 1.975 40.988 39.000 0.022 0.000 1.298 236 F HN 0.746 nan 8.300 nan 0.000 0.455 237 D N 0.138 120.710 120.400 0.287 0.000 2.478 237 D HA 0.281 4.922 4.640 0.002 0.000 0.274 237 D C 0.940 177.338 176.300 0.162 0.000 1.234 237 D CA -0.464 53.663 54.000 0.211 0.000 1.069 237 D CB 0.568 41.452 40.800 0.140 0.000 1.113 237 D HN 0.491 nan 8.370 nan 0.000 0.571 238 R N -1.125 119.437 120.500 0.103 0.000 2.193 238 R HA -0.056 4.285 4.340 0.002 0.000 0.229 238 R C 0.291 176.622 176.300 0.051 0.000 1.110 238 R CA 1.246 57.383 56.100 0.063 0.000 0.988 238 R CB -0.083 30.241 30.300 0.040 0.000 0.871 238 R HN 0.467 nan 8.270 nan 0.000 0.458 239 D N -1.456 118.981 120.400 0.061 0.000 2.363 239 D HA 0.129 4.770 4.640 0.002 0.000 0.214 239 D C 0.957 177.286 176.300 0.049 0.000 1.093 239 D CA 0.662 54.689 54.000 0.045 0.000 0.837 239 D CB 0.990 41.815 40.800 0.042 0.000 0.948 239 D HN 0.341 nan 8.370 nan 0.000 0.507 240 G N 1.193 110.041 108.800 0.079 0.000 2.159 240 G HA2 -0.271 3.690 3.960 0.002 0.000 0.256 240 G HA3 -0.271 3.690 3.960 0.002 0.000 0.256 240 G C 0.210 175.226 174.900 0.194 0.000 0.977 240 G CA -0.411 44.732 45.100 0.072 0.000 0.652 240 G HN 0.236 nan 8.290 nan 0.000 0.531 241 N N 2.202 121.012 118.700 0.184 0.000 2.492 241 N HA 0.306 5.047 4.740 0.002 0.000 0.262 241 N C -2.313 173.338 175.510 0.236 0.000 1.202 241 N CA -0.599 52.557 53.050 0.177 0.000 0.926 241 N CB 1.099 39.643 38.487 0.095 0.000 1.078 241 N HN 0.228 nan 8.380 nan 0.000 0.454 242 P HA 0.119 nan 4.420 nan 0.000 0.271 242 P C -0.477 176.719 177.300 -0.174 0.000 1.216 242 P CA 0.046 63.076 63.100 -0.116 0.000 0.776 242 P CB 0.776 32.423 31.700 -0.089 0.000 0.881 243 L N 2.806 123.833 121.223 -0.327 0.000 2.276 243 L HA 0.422 4.763 4.340 0.002 0.000 0.286 243 L C 0.643 177.309 176.870 -0.340 0.000 1.024 243 L CA -0.075 54.606 54.840 -0.265 0.000 0.826 243 L CB 1.150 43.077 42.059 -0.220 0.000 1.211 243 L HN 0.506 nan 8.230 nan 0.000 0.422 244 S N 0.902 116.432 115.700 -0.284 0.000 2.638 244 S HA 0.511 4.982 4.470 0.002 0.000 0.274 244 S C 0.155 174.599 174.600 -0.261 0.000 1.157 244 S CA -0.761 57.282 58.200 -0.261 0.000 0.826 244 S CB 1.027 64.150 63.200 -0.128 0.000 1.139 244 S HN 0.352 nan 8.310 nan 0.000 0.474 245 F N 1.517 121.428 119.950 -0.066 0.000 2.748 245 F HA 0.067 4.595 4.527 0.002 0.000 0.299 245 F C 1.840 177.612 175.800 -0.047 0.000 1.154 245 F CA 0.831 58.795 58.000 -0.059 0.000 1.446 245 F CB -0.358 38.600 39.000 -0.070 0.000 1.112 245 F HN 0.789 nan 8.300 nan 0.000 0.584 246 D N -1.123 119.327 120.400 0.084 0.000 2.351 246 D HA -0.195 4.446 4.640 0.002 0.000 0.216 246 D C 1.199 177.513 176.300 0.023 0.000 0.968 246 D CA 1.141 55.168 54.000 0.044 0.000 0.899 246 D CB -0.569 40.242 40.800 0.019 0.000 0.907 246 D HN 0.331 nan 8.370 nan 0.000 0.514 247 N N -1.296 117.406 118.700 0.002 0.000 2.143 247 N HA 0.241 4.982 4.740 0.002 0.000 0.222 247 N C -0.695 174.806 175.510 -0.015 0.000 1.264 247 N CA -0.272 52.771 53.050 -0.012 0.000 0.897 247 N CB 0.840 39.307 38.487 -0.034 0.000 1.092 247 N HN 0.024 nan 8.380 nan 0.000 0.516 248 I N 1.072 121.638 120.570 -0.006 0.000 2.312 248 I HA 0.159 4.330 4.170 0.002 0.000 0.290 248 I C 0.861 177.027 176.117 0.081 0.000 1.008 248 I CA -0.156 61.144 61.300 -0.001 0.000 1.226 248 I CB 1.688 39.599 38.000 -0.149 0.000 1.371 248 I HN 0.107 nan 8.210 nan 0.000 0.468 249 T N -0.216 114.368 114.554 0.050 0.000 3.010 249 T HA 0.169 4.520 4.350 0.002 0.000 0.257 249 T C 0.494 175.220 174.700 0.044 0.000 1.020 249 T CA -0.285 61.843 62.100 0.047 0.000 0.938 249 T CB 0.367 69.253 68.868 0.030 0.000 1.049 249 T HN 0.403 nan 8.240 nan 0.000 0.522 250 S N 0.764 116.494 115.700 0.049 0.000 2.547 250 S HA 0.563 5.034 4.470 0.002 0.000 0.281 250 S C -0.414 174.224 174.600 0.064 0.000 1.118 250 S CA -0.582 57.647 58.200 0.049 0.000 0.947 250 S CB 1.658 64.885 63.200 0.044 0.000 1.053 250 S HN 0.231 nan 8.310 nan 0.000 0.482 251 V N 6.942 126.894 119.914 0.063 0.000 2.621 251 V HA 0.099 4.220 4.120 0.002 0.000 0.300 251 V C -1.528 174.650 176.094 0.139 0.000 1.031 251 V CA -0.202 62.149 62.300 0.086 0.000 1.210 251 V CB -0.627 31.254 31.823 0.097 0.000 0.864 251 V HN 0.714 nan 8.190 nan 0.000 0.477 252 P HA 0.352 nan 4.420 nan 0.000 0.280 252 P C -0.483 177.002 177.300 0.309 0.000 1.272 252 P CA -0.944 62.281 63.100 0.209 0.000 0.819 252 P CB 0.942 32.726 31.700 0.140 0.000 1.122 253 R N -0.486 120.162 120.500 0.247 0.000 2.442 253 R HA 0.368 4.709 4.340 0.002 0.000 0.291 253 R C 1.316 177.807 176.300 0.318 0.000 1.069 253 R CA 0.220 56.445 56.100 0.207 0.000 1.022 253 R CB 0.075 30.451 30.300 0.126 0.000 0.976 253 R HN 0.661 nan 8.270 nan 0.000 0.443 254 G N 1.465 110.372 108.800 0.179 0.000 3.453 254 G HA2 0.291 4.252 3.960 0.002 0.000 0.263 254 G HA3 0.291 4.252 3.960 0.002 0.000 0.263 254 G C 0.837 175.844 174.900 0.179 0.000 1.060 254 G CA 0.282 45.509 45.100 0.211 0.000 0.793 254 G HN 0.930 nan 8.290 nan 0.000 0.532 255 G N 1.474 110.076 108.800 -0.330 0.000 2.602 255 G HA2 -0.373 3.588 3.960 0.002 0.000 0.310 255 G HA3 -0.373 3.588 3.960 0.002 0.000 0.310 255 G C 0.730 175.066 174.900 -0.940 0.000 1.183 255 G CA 0.449 44.687 45.100 -1.437 0.000 0.979 255 G HN 0.369 nan 8.290 nan 0.000 0.545 256 N N 2.496 120.544 118.700 -1.087 0.000 2.320 256 N HA 0.519 5.260 4.740 0.002 0.000 0.237 256 N C 0.757 175.991 175.510 -0.460 0.000 1.129 256 N CA 0.750 53.258 53.050 -0.904 0.000 0.854 256 N CB 0.396 38.202 38.487 -1.134 0.000 1.083 256 N HN 0.905 nan 8.380 nan 0.000 0.504 257 A N -0.534 122.255 122.820 -0.052 0.000 2.366 257 A HA 0.482 4.803 4.320 0.002 0.000 0.249 257 A C 1.652 179.322 177.584 0.144 0.000 1.084 257 A CA 0.190 52.379 52.037 0.253 0.000 0.794 257 A CB 0.066 19.179 19.000 0.188 0.000 1.034 257 A HN 0.271 nan 8.150 nan 0.000 0.491 258 G N 0.134 109.070 108.800 0.226 0.000 2.469 258 G HA2 0.180 4.141 3.960 0.002 0.000 0.220 258 G HA3 0.180 4.141 3.960 0.002 0.000 0.220 258 G C 1.446 176.389 174.900 0.072 0.000 1.136 258 G CA 1.366 46.594 45.100 0.213 0.000 0.759 258 G HN 2.379 nan 8.290 nan 0.000 0.562 259 G N -1.628 107.184 108.800 0.020 0.000 2.253 259 G HA2 0.032 3.993 3.960 0.002 0.000 0.251 259 G HA3 0.032 3.993 3.960 0.002 0.000 0.251 259 G C 0.829 175.762 174.900 0.056 0.000 0.998 259 G CA 1.066 46.164 45.100 -0.003 0.000 0.621 259 G HN 1.508 nan 8.290 nan 0.000 0.524 260 G N -1.275 107.571 108.800 0.076 0.000 3.340 260 G HA2 0.605 4.566 3.960 0.002 0.000 0.176 260 G HA3 0.605 4.566 3.960 0.002 0.000 0.176 260 G C 1.033 175.985 174.900 0.086 0.000 1.103 260 G CA 0.796 45.940 45.100 0.074 0.000 0.779 260 G HN 1.217 nan 8.290 nan 0.000 0.673 261 G N -0.889 107.938 108.800 0.045 0.000 2.986 261 G HA2 0.287 4.248 3.960 0.002 0.000 0.213 261 G HA3 0.287 4.248 3.960 0.002 0.000 0.213 261 G C 0.322 175.265 174.900 0.073 0.000 1.156 261 G CA 0.210 45.302 45.100 -0.013 0.000 0.763 261 G HN 0.267 nan 8.290 nan 0.000 0.547 262 Q N 1.261 121.150 119.800 0.147 0.000 2.454 262 Q HA 0.270 4.611 4.340 0.002 0.000 0.255 262 Q C -2.730 173.438 176.000 0.280 0.000 1.034 262 Q CA -1.852 54.077 55.803 0.210 0.000 0.736 262 Q CB 2.219 31.052 28.738 0.157 0.000 1.210 262 Q HN 0.075 nan 8.270 nan 0.000 0.500 263 P HA 0.111 nan 4.420 nan 0.000 0.266 263 P C -0.082 177.543 177.300 0.542 0.000 1.186 263 P CA 0.324 63.674 63.100 0.417 0.000 0.767 263 P CB 0.681 32.601 31.700 0.366 0.000 0.820 264 G N 0.621 109.697 108.800 0.460 0.000 2.684 264 G HA2 0.586 4.547 3.960 0.002 0.000 0.290 264 G HA3 0.586 4.547 3.960 0.002 0.000 0.290 264 G C -2.444 172.173 174.900 -0.471 0.000 1.425 264 G CA -0.446 44.723 45.100 0.115 0.000 0.822 264 G HN 0.508 nan 8.290 nan 0.000 0.482 265 W N 0.591 121.079 121.300 -1.353 0.000 3.146 265 W HA 0.513 5.174 4.660 0.001 0.000 0.319 265 W C -1.536 174.485 176.519 -0.830 0.000 1.258 265 W CA -0.939 55.772 57.345 -1.058 0.000 1.189 265 W CB 2.338 31.018 29.460 -1.300 0.000 1.412 265 W HN 0.554 nan 8.180 nan 0.000 0.567 266 M N 4.290 123.449 119.600 -0.734 0.000 2.108 266 M HA 0.383 4.864 4.480 0.002 0.000 0.347 266 M C -1.262 175.054 176.300 0.026 0.000 1.326 266 M CA 0.405 55.539 55.300 -0.277 0.000 1.126 266 M CB -0.023 32.392 32.600 -0.307 0.000 1.606 266 M HN 0.178 nan 8.290 nan 0.000 0.462 267 L N 5.238 126.580 121.223 0.197 0.000 2.322 267 L HA 0.493 4.834 4.340 0.002 0.000 0.281 267 L C 0.085 177.123 176.870 0.279 0.000 1.014 267 L CA -1.037 53.968 54.840 0.276 0.000 0.815 267 L CB 1.565 43.798 42.059 0.290 0.000 1.247 267 L HN 0.600 nan 8.230 nan 0.000 0.421 268 K N 1.568 122.016 120.400 0.080 0.000 2.489 268 K HA 0.223 4.544 4.320 0.002 0.000 0.278 268 K C -0.676 175.903 176.600 -0.035 0.000 1.000 268 K CA -0.157 55.959 56.287 -0.285 0.000 1.012 268 K CB 0.595 32.717 32.500 -0.630 0.000 0.903 268 K HN 0.542 nan 8.250 nan 0.000 0.485 269 C N 1.759 121.014 119.300 -0.075 0.000 2.771 269 C HA 0.310 4.771 4.460 0.002 0.000 0.333 269 C C 0.006 175.079 174.990 0.139 0.000 1.267 269 C CA -1.103 57.959 59.018 0.075 0.000 1.721 269 C CB 1.332 29.070 27.740 -0.003 0.000 2.222 269 C HN 0.802 nan 8.230 nan 0.000 0.485 270 K N 0.553 121.030 120.400 0.128 0.000 2.504 270 K HA 0.292 4.613 4.320 0.002 0.000 0.278 270 K C 1.039 177.662 176.600 0.039 0.000 1.025 270 K CA 1.591 57.937 56.287 0.099 0.000 1.093 270 K CB -0.397 32.141 32.500 0.063 0.000 0.873 270 K HN 1.220 nan 8.250 nan 0.000 0.483 271 G N 4.683 113.466 108.800 -0.028 0.000 2.179 271 G HA2 -0.187 3.774 3.960 0.002 0.000 0.220 271 G HA3 -0.187 3.774 3.960 0.002 0.000 0.220 271 G C 0.584 175.404 174.900 -0.135 0.000 0.990 271 G CA 0.258 45.298 45.100 -0.099 0.000 0.646 271 G HN 0.892 nan 8.290 nan 0.000 0.517 272 W N 1.021 122.235 121.300 -0.143 0.000 2.392 272 W HA 0.051 4.712 4.660 0.001 0.000 0.279 272 W C 1.158 177.647 176.519 -0.049 0.000 1.225 272 W CA 1.372 58.595 57.345 -0.203 0.000 1.233 272 W CB -0.608 28.605 29.460 -0.412 0.000 1.122 272 W HN 0.387 nan 8.180 nan 0.000 0.561 273 E N 0.984 120.663 120.200 -0.868 0.000 2.153 273 E HA -0.147 4.204 4.350 0.002 0.000 0.194 273 E C 2.037 178.480 176.600 -0.261 0.000 0.988 273 E CA 2.927 58.876 56.400 -0.751 0.000 0.811 273 E CB -0.356 28.811 29.700 -0.888 0.000 0.746 273 E HN 0.385 nan 8.360 nan 0.000 0.466 274 T N -2.893 111.550 114.554 -0.186 0.000 3.058 274 T HA 0.135 4.486 4.350 0.002 0.000 0.278 274 T C -0.248 174.441 174.700 -0.019 0.000 0.974 274 T CA -0.347 61.702 62.100 -0.086 0.000 0.893 274 T CB 0.338 69.147 68.868 -0.097 0.000 1.138 274 T HN -0.064 nan 8.240 nan 0.000 0.529 275 D N 0.811 121.219 120.400 0.014 0.000 2.575 275 D HA 0.640 5.281 4.640 0.002 0.000 0.250 275 D C 1.004 177.393 176.300 0.149 0.000 1.279 275 D CA -0.466 53.572 54.000 0.063 0.000 0.925 275 D CB 1.581 42.407 40.800 0.043 0.000 1.261 275 D HN 0.041 nan 8.370 nan 0.000 0.567 276 A N 3.408 126.322 122.820 0.157 0.000 2.125 276 A HA -0.070 4.251 4.320 0.002 0.000 0.219 276 A C 0.983 178.748 177.584 0.301 0.000 1.156 276 A CA 1.062 53.230 52.037 0.218 0.000 0.671 276 A CB 0.053 19.127 19.000 0.123 0.000 0.794 276 A HN 0.552 nan 8.150 nan 0.000 0.459 277 D N -1.154 119.400 120.400 0.257 0.000 2.501 277 D HA 0.130 4.771 4.640 0.002 0.000 0.224 277 D C 0.090 176.562 176.300 0.287 0.000 1.202 277 D CA 0.130 54.289 54.000 0.265 0.000 0.829 277 D CB 0.266 41.144 40.800 0.130 0.000 1.023 277 D HN 0.160 nan 8.370 nan 0.000 0.499 278 S N 0.763 116.603 115.700 0.234 0.000 4.139 278 S HA 0.179 4.650 4.470 0.002 0.000 0.215 278 S C -0.933 173.555 174.600 -0.187 0.000 1.390 278 S CA -0.164 58.039 58.200 0.005 0.000 0.885 278 S CB -0.711 62.471 63.200 -0.031 0.000 1.560 278 S HN 0.041 nan 8.310 nan 0.000 0.449 279 Y N 0.057 120.368 120.300 0.018 0.000 2.597 279 Y HA 0.522 5.073 4.550 0.002 0.000 0.340 279 Y C -0.117 175.780 175.900 -0.004 0.000 1.097 279 Y CA -1.240 56.879 58.100 0.031 0.000 1.037 279 Y CB 1.596 40.079 38.460 0.038 0.000 1.305 279 Y HN 0.183 nan 8.280 nan 0.000 0.463 280 V N -1.281 118.750 119.914 0.195 0.000 2.919 280 V HA 0.583 4.704 4.120 0.002 0.000 0.316 280 V C -1.546 174.676 176.094 0.215 0.000 1.077 280 V CA -1.194 61.195 62.300 0.147 0.000 0.977 280 V CB 2.049 33.912 31.823 0.067 0.000 1.039 280 V HN 0.708 nan 8.190 nan 0.000 0.441 281 Y N 2.492 122.852 120.300 0.100 0.000 2.323 281 Y HA 0.675 5.226 4.550 0.002 0.000 0.331 281 Y C -0.872 175.146 175.900 0.197 0.000 1.092 281 Y CA -0.964 57.197 58.100 0.101 0.000 1.150 281 Y CB 1.622 40.092 38.460 0.017 0.000 1.200 281 Y HN 0.752 nan 8.280 nan 0.000 0.472 282 F N 4.357 124.098 119.950 -0.349 0.000 2.507 282 F HA 0.449 4.977 4.527 0.002 0.000 0.328 282 F C -0.735 175.073 175.800 0.014 0.000 1.136 282 F CA -0.419 57.569 58.000 -0.020 0.000 0.930 282 F CB 1.319 40.411 39.000 0.153 0.000 1.166 282 F HN 0.358 nan 8.300 nan 0.000 0.436 283 T N 7.265 121.804 114.554 -0.026 0.000 2.771 283 T HA 0.456 4.807 4.350 0.002 0.000 0.281 283 T C 0.169 174.967 174.700 0.164 0.000 0.982 283 T CA -0.406 61.802 62.100 0.180 0.000 0.978 283 T CB 0.877 69.850 68.868 0.175 0.000 0.930 283 T HN 0.386 nan 8.240 nan 0.000 0.447 284 I N 3.427 124.230 120.570 0.389 0.000 2.227 284 I HA 0.298 4.469 4.170 0.002 0.000 0.297 284 I C 0.964 177.233 176.117 0.253 0.000 1.173 284 I CA -0.512 60.995 61.300 0.344 0.000 1.356 284 I CB -0.126 38.063 38.000 0.315 0.000 1.485 284 I HN 0.605 nan 8.210 nan 0.000 0.604 285 A N 4.150 127.082 122.820 0.187 0.000 2.401 285 A HA 0.547 4.868 4.320 0.002 0.000 0.259 285 A C 1.397 179.091 177.584 0.183 0.000 1.103 285 A CA 0.125 52.255 52.037 0.156 0.000 0.789 285 A CB 0.792 19.853 19.000 0.102 0.000 1.035 285 A HN 0.805 nan 8.150 nan 0.000 0.491 286 A N 2.554 125.469 122.820 0.158 0.000 1.933 286 A HA -0.162 4.159 4.320 0.002 0.000 0.218 286 A C 1.809 179.496 177.584 0.171 0.000 1.175 286 A CA 1.702 53.834 52.037 0.159 0.000 0.628 286 A CB -0.619 18.449 19.000 0.113 0.000 0.814 286 A HN 1.010 nan 8.150 nan 0.000 0.444 287 N N -0.819 117.960 118.700 0.131 0.000 2.573 287 N HA -0.080 4.661 4.740 0.002 0.000 0.187 287 N C 0.931 176.525 175.510 0.139 0.000 1.107 287 N CA 0.975 54.096 53.050 0.119 0.000 0.918 287 N CB -0.226 38.310 38.487 0.082 0.000 0.966 287 N HN 0.365 nan 8.380 nan 0.000 0.448 288 M N -1.270 118.432 119.600 0.170 0.000 2.333 288 M HA 0.115 4.596 4.480 0.002 0.000 0.257 288 M C 1.323 177.743 176.300 0.200 0.000 1.078 288 M CA -0.299 55.093 55.300 0.154 0.000 1.005 288 M CB -0.601 32.065 32.600 0.111 0.000 1.444 288 M HN 0.274 nan 8.290 nan 0.000 0.496 289 W N 3.168 124.516 121.300 0.080 0.000 2.355 289 W HA -0.098 4.563 4.660 0.002 0.000 0.309 289 W C -1.165 175.414 176.519 0.100 0.000 1.206 289 W CA 1.760 59.161 57.345 0.093 0.000 1.284 289 W CB -1.201 28.312 29.460 0.088 0.000 1.145 289 W HN 0.138 nan 8.180 nan 0.000 0.502 290 P HA -0.226 nan 4.420 nan 0.000 0.216 290 P C 1.297 178.539 177.300 -0.097 0.000 1.150 290 P CA 2.423 65.486 63.100 -0.062 0.000 0.843 290 P CB -0.211 31.527 31.700 0.063 0.000 0.787 291 Q N -1.046 118.742 119.800 -0.019 0.000 2.119 291 Q HA -0.077 4.264 4.340 0.002 0.000 0.201 291 Q C 2.126 178.029 176.000 -0.161 0.000 0.972 291 Q CA 1.151 56.978 55.803 0.041 0.000 0.847 291 Q CB -0.782 28.037 28.738 0.136 0.000 0.903 291 Q HN 0.257 nan 8.270 nan 0.000 0.433 292 I N -0.465 119.971 120.570 -0.222 0.000 2.179 292 I HA -0.346 3.825 4.170 0.002 0.000 0.242 292 I C 1.983 177.835 176.117 -0.442 0.000 1.088 292 I CA 0.795 61.916 61.300 -0.298 0.000 1.357 292 I CB -0.273 37.616 38.000 -0.185 0.000 1.051 292 I HN 0.298 nan 8.210 nan 0.000 0.409 293 C N 0.481 119.437 119.300 -0.572 0.000 2.425 293 C HA -0.169 4.292 4.460 0.002 0.000 0.277 293 C C 2.456 177.288 174.990 -0.264 0.000 1.280 293 C CA 0.694 59.442 59.018 -0.450 0.000 1.744 293 C CB -1.045 26.433 27.740 -0.436 0.000 1.989 293 C HN 0.529 nan 8.230 nan 0.000 0.491 294 D N 0.213 120.505 120.400 -0.179 0.000 2.097 294 D HA -0.159 4.482 4.640 0.002 0.000 0.195 294 D C 2.055 178.304 176.300 -0.085 0.000 0.989 294 D CA 1.209 55.190 54.000 -0.031 0.000 0.827 294 D CB -0.544 40.365 40.800 0.181 0.000 0.966 294 D HN 0.506 nan 8.370 nan 0.000 0.456 295 M N 0.969 120.304 119.600 -0.441 0.000 2.149 295 M HA -0.128 4.353 4.480 0.002 0.000 0.261 295 M C 1.860 178.014 176.300 -0.243 0.000 1.064 295 M CA 1.495 56.400 55.300 -0.658 0.000 1.102 295 M CB 0.003 31.814 32.600 -1.314 0.000 1.369 295 M HN 0.031 nan 8.290 nan 0.000 0.408 296 I N -3.263 117.149 120.570 -0.263 0.000 3.904 296 I HA 0.195 4.366 4.170 0.002 0.000 0.333 296 I C -0.142 175.891 176.117 -0.141 0.000 1.361 296 I CA -0.099 61.078 61.300 -0.206 0.000 1.116 296 I CB -0.357 37.478 38.000 -0.275 0.000 1.028 296 I HN 0.185 nan 8.210 nan 0.000 0.398 297 D N 2.985 123.319 120.400 -0.111 0.000 2.697 297 D HA -0.180 4.461 4.640 0.002 0.000 0.238 297 D C -0.295 175.879 176.300 -0.210 0.000 1.152 297 D CA 0.765 54.704 54.000 -0.102 0.000 0.666 297 D CB -0.407 40.370 40.800 -0.037 0.000 1.037 297 D HN 0.423 nan 8.370 nan 0.000 0.423 298 K N 0.656 120.867 120.400 -0.316 0.000 2.877 298 K HA 0.222 4.543 4.320 0.002 0.000 0.176 298 K C -1.772 174.622 176.600 -0.344 0.000 1.075 298 K CA -1.346 54.617 56.287 -0.539 0.000 0.939 298 K CB 1.469 33.325 32.500 -1.074 0.000 1.237 298 K HN 0.194 nan 8.250 nan 0.000 0.607 299 P HA -0.184 nan 4.420 nan 0.000 0.220 299 P C 0.956 178.228 177.300 -0.046 0.000 1.148 299 P CA 1.073 64.114 63.100 -0.100 0.000 0.803 299 P CB 0.313 31.973 31.700 -0.066 0.000 0.782 300 E N -1.312 118.836 120.200 -0.087 0.000 2.472 300 E HA -0.165 4.186 4.350 0.002 0.000 0.200 300 E C 0.944 177.661 176.600 0.195 0.000 1.046 300 E CA 0.719 57.128 56.400 0.015 0.000 0.871 300 E CB -0.809 28.872 29.700 -0.031 0.000 0.806 300 E HN 0.284 nan 8.360 nan 0.000 0.533 301 W N 1.609 122.850 121.300 -0.097 0.000 3.211 301 W HA 0.303 4.964 4.660 0.002 0.000 0.292 301 W C 1.729 178.404 176.519 0.260 0.000 1.268 301 W CA -0.515 56.815 57.345 -0.025 0.000 1.702 301 W CB 0.257 29.643 29.460 -0.124 0.000 1.092 301 W HN 0.059 nan 8.180 nan 0.000 0.643 302 K N -0.140 120.455 120.400 0.326 0.000 2.062 302 K HA -0.090 4.231 4.320 0.002 0.000 0.205 302 K C 0.813 177.579 176.600 0.277 0.000 1.051 302 K CA 1.330 57.789 56.287 0.288 0.000 0.941 302 K CB -0.016 32.562 32.500 0.131 0.000 0.719 302 K HN -0.082 nan 8.250 nan 0.000 0.440 303 D N 0.414 120.939 120.400 0.208 0.000 2.369 303 D HA -0.018 4.623 4.640 0.002 0.000 0.211 303 D C -0.231 176.159 176.300 0.149 0.000 1.077 303 D CA 0.280 54.372 54.000 0.153 0.000 0.842 303 D CB 0.207 41.072 40.800 0.108 0.000 0.947 303 D HN 0.045 nan 8.370 nan 0.000 0.509 304 D N 1.710 122.231 120.400 0.202 0.000 2.325 304 D HA 0.045 4.686 4.640 0.002 0.000 0.251 304 D C -1.375 175.003 176.300 0.130 0.000 1.196 304 D CA -1.930 52.183 54.000 0.188 0.000 0.866 304 D CB 1.968 42.942 40.800 0.291 0.000 1.101 304 D HN -0.050 nan 8.370 nan 0.000 0.476 305 P HA -0.116 nan 4.420 nan 0.000 0.222 305 P C 0.842 178.079 177.300 -0.105 0.000 1.147 305 P CA 0.598 63.687 63.100 -0.019 0.000 0.790 305 P CB 0.223 31.911 31.700 -0.021 0.000 0.780 306 A N -1.873 120.877 122.820 -0.117 0.000 2.119 306 A HA -0.091 4.230 4.320 0.002 0.000 0.217 306 A C 1.458 178.662 177.584 -0.633 0.000 1.153 306 A CA 1.000 52.833 52.037 -0.341 0.000 0.692 306 A CB -1.044 17.752 19.000 -0.339 0.000 0.799 306 A HN 0.189 nan 8.150 nan 0.000 0.458 307 Y N -1.161 118.945 120.300 -0.323 0.000 2.441 307 Y HA 0.070 4.621 4.550 0.002 0.000 0.266 307 Y C 1.612 177.104 175.900 -0.681 0.000 1.093 307 Y CA 0.189 57.987 58.100 -0.502 0.000 1.246 307 Y CB 0.280 38.519 38.460 -0.368 0.000 1.262 307 Y HN 0.481 nan 8.280 nan 0.000 0.518 308 N N 0.429 118.998 118.700 -0.217 0.000 2.322 308 N HA 0.033 4.774 4.740 0.002 0.000 0.194 308 N C -0.060 175.299 175.510 -0.251 0.000 1.126 308 N CA 0.645 53.562 53.050 -0.221 0.000 0.845 308 N CB -0.290 38.295 38.487 0.163 0.000 0.976 308 N HN 0.188 nan 8.380 nan 0.000 0.475 309 T N -5.249 109.121 114.554 -0.307 0.000 2.883 309 T HA 0.349 4.700 4.350 0.002 0.000 0.296 309 T C 0.411 174.977 174.700 -0.224 0.000 1.117 309 T CA -0.962 61.029 62.100 -0.181 0.000 1.006 309 T CB 0.706 69.524 68.868 -0.082 0.000 1.191 309 T HN -0.069 nan 8.240 nan 0.000 0.508 310 F N 1.698 121.516 119.950 -0.219 0.000 2.091 310 F HA -0.109 4.419 4.527 0.002 0.000 0.299 310 F C 2.105 177.781 175.800 -0.207 0.000 1.103 310 F CA 2.045 59.927 58.000 -0.198 0.000 1.228 310 F CB -0.259 38.672 39.000 -0.114 0.000 0.984 310 F HN 0.710 nan 8.300 nan 0.000 0.477 311 E N 0.363 120.578 120.200 0.025 0.000 2.085 311 E HA -0.105 4.246 4.350 0.002 0.000 0.194 311 E C 2.465 178.918 176.600 -0.246 0.000 0.994 311 E CA 1.350 57.710 56.400 -0.066 0.000 0.801 311 E CB -1.146 28.555 29.700 0.002 0.000 0.743 311 E HN 0.537 nan 8.360 nan 0.000 0.453 312 G N 0.336 108.968 108.800 -0.280 0.000 2.408 312 G HA2 -0.256 3.705 3.960 0.002 0.000 0.217 312 G HA3 -0.256 3.705 3.960 0.002 0.000 0.217 312 G C 1.486 176.082 174.900 -0.507 0.000 1.150 312 G CA 0.428 45.312 45.100 -0.359 0.000 0.776 312 G HN 0.125 nan 8.290 nan 0.000 0.542 313 R N -0.349 119.797 120.500 -0.590 0.000 2.236 313 R HA 0.133 4.474 4.340 0.002 0.000 0.208 313 R C 2.311 178.245 176.300 -0.610 0.000 1.036 313 R CA 0.163 55.858 56.100 -0.674 0.000 1.001 313 R CB -0.257 29.602 30.300 -0.735 0.000 0.896 313 R HN 0.254 nan 8.270 nan 0.000 0.464 314 V N 2.795 122.338 119.914 -0.617 0.000 2.720 314 V HA -0.186 3.935 4.120 0.002 0.000 0.256 314 V C 1.244 177.104 176.094 -0.391 0.000 1.082 314 V CA 2.112 64.059 62.300 -0.588 0.000 1.101 314 V CB -0.255 31.207 31.823 -0.603 0.000 0.693 314 V HN 0.410 nan 8.190 nan 0.000 0.479 315 D N -0.326 119.856 120.400 -0.363 0.000 2.363 315 D HA -0.016 4.625 4.640 0.002 0.000 0.214 315 D C 1.161 177.275 176.300 -0.310 0.000 1.093 315 D CA 0.244 54.071 54.000 -0.288 0.000 0.837 315 D CB -0.057 40.597 40.800 -0.242 0.000 0.948 315 D HN 0.684 nan 8.370 nan 0.000 0.507 316 K N -0.757 119.412 120.400 -0.386 0.000 2.586 316 K HA 0.135 4.456 4.320 0.002 0.000 0.198 316 K C 0.957 177.315 176.600 -0.404 0.000 1.170 316 K CA -0.545 55.514 56.287 -0.380 0.000 1.069 316 K CB 0.071 32.299 32.500 -0.453 0.000 0.944 316 K HN -0.208 nan 8.250 nan 0.000 0.572 317 L N 1.282 122.244 121.223 -0.436 0.000 2.030 317 L HA -0.172 4.169 4.340 0.002 0.000 0.222 317 L C 2.090 178.699 176.870 -0.436 0.000 1.082 317 L CA 1.995 56.555 54.840 -0.468 0.000 0.785 317 L CB -0.612 41.248 42.059 -0.332 0.000 0.895 317 L HN 0.426 nan 8.230 nan 0.000 0.439 318 M N -1.608 117.731 119.600 -0.435 0.000 2.419 318 M HA -0.076 4.405 4.480 0.002 0.000 0.264 318 M C 1.750 177.916 176.300 -0.223 0.000 1.082 318 M CA 0.808 55.835 55.300 -0.455 0.000 1.119 318 M CB -1.168 30.808 32.600 -1.039 0.000 1.398 318 M HN 0.201 nan 8.290 nan 0.000 0.453 319 D N 0.911 121.196 120.400 -0.192 0.000 2.097 319 D HA -0.044 4.596 4.640 0.002 0.000 0.197 319 D C 2.180 178.484 176.300 0.007 0.000 0.984 319 D CA 1.188 55.148 54.000 -0.066 0.000 0.826 319 D CB -0.131 40.619 40.800 -0.084 0.000 0.973 319 D HN 0.338 nan 8.370 nan 0.000 0.460 320 I N 0.237 120.750 120.570 -0.094 0.000 2.226 320 I HA -0.264 3.907 4.170 0.002 0.000 0.245 320 I C 2.152 178.253 176.117 -0.028 0.000 1.100 320 I CA 0.786 62.077 61.300 -0.015 0.000 1.374 320 I CB -0.247 37.642 38.000 -0.185 0.000 1.057 320 I HN -0.118 nan 8.210 nan 0.000 0.413 321 F N 1.292 121.215 119.950 -0.046 0.000 2.134 321 F HA -0.218 4.310 4.527 0.002 0.000 0.299 321 F C 3.000 178.734 175.800 -0.108 0.000 1.097 321 F CA 1.604 59.542 58.000 -0.103 0.000 1.264 321 F CB -1.141 37.756 39.000 -0.173 0.000 1.001 321 F HN 0.140 nan 8.300 nan 0.000 0.479 322 S N -0.636 115.133 115.700 0.115 0.000 2.428 322 S HA -0.197 4.274 4.470 0.002 0.000 0.230 322 S C 1.978 176.618 174.600 0.067 0.000 1.014 322 S CA 0.648 58.894 58.200 0.077 0.000 0.957 322 S CB -1.264 61.989 63.200 0.089 0.000 0.784 322 S HN 0.298 nan 8.310 nan 0.000 0.499 323 F N 2.460 122.391 119.950 -0.031 0.000 2.128 323 F HA 0.211 4.739 4.527 0.002 0.000 0.295 323 F C 1.874 177.572 175.800 -0.170 0.000 1.100 323 F CA 0.562 58.533 58.000 -0.048 0.000 1.260 323 F CB -0.481 38.552 39.000 0.055 0.000 1.009 323 F HN 0.116 nan 8.300 nan 0.000 0.476 324 I N 0.495 120.865 120.570 -0.333 0.000 2.151 324 I HA -0.355 3.816 4.170 0.002 0.000 0.243 324 I C 2.519 178.046 176.117 -0.985 0.000 1.080 324 I CA 2.063 62.946 61.300 -0.694 0.000 1.339 324 I CB -0.668 36.923 38.000 -0.682 0.000 1.039 324 I HN 0.276 nan 8.210 nan 0.000 0.409 325 E N 0.716 120.535 120.200 -0.634 0.000 2.118 325 E HA -0.280 4.071 4.350 0.002 0.000 0.195 325 E C 2.115 178.472 176.600 -0.405 0.000 0.992 325 E CA 2.090 58.181 56.400 -0.515 0.000 0.804 325 E CB -0.040 29.561 29.700 -0.164 0.000 0.741 325 E HN 0.624 nan 8.360 nan 0.000 0.458 326 T N -0.618 113.725 114.554 -0.351 0.000 2.849 326 T HA -0.136 4.215 4.350 0.002 0.000 0.270 326 T C 1.574 176.130 174.700 -0.240 0.000 1.066 326 T CA 1.007 62.960 62.100 -0.244 0.000 1.130 326 T CB -0.150 68.581 68.868 -0.228 0.000 0.864 326 T HN 0.023 nan 8.240 nan 0.000 0.481 327 K N 0.397 120.555 120.400 -0.403 0.000 2.439 327 K HA 0.100 4.421 4.320 0.002 0.000 0.197 327 K C 0.958 177.723 176.600 0.275 0.000 1.041 327 K CA 0.459 56.670 56.287 -0.127 0.000 0.970 327 K CB -0.254 32.159 32.500 -0.145 0.000 0.773 327 K HN 0.485 nan 8.250 nan 0.000 0.479 328 F N 0.056 120.042 119.950 0.060 0.000 2.695 328 F HA 0.305 4.833 4.527 0.002 0.000 0.303 328 F C 1.919 177.763 175.800 0.073 0.000 1.091 328 F CA -1.149 56.914 58.000 0.105 0.000 1.300 328 F CB -0.845 38.195 39.000 0.067 0.000 1.071 328 F HN -0.121 nan 8.300 nan 0.000 0.578 329 A N -0.213 122.733 122.820 0.211 0.000 2.024 329 A HA -0.149 4.172 4.320 0.002 0.000 0.220 329 A C 1.555 179.220 177.584 0.134 0.000 1.164 329 A CA 1.938 54.074 52.037 0.164 0.000 0.643 329 A CB -0.402 18.666 19.000 0.114 0.000 0.806 329 A HN 0.177 nan 8.150 nan 0.000 0.451 330 D N -0.830 119.635 120.400 0.109 0.000 2.431 330 D HA 0.171 4.812 4.640 0.002 0.000 0.213 330 D C -0.221 176.113 176.300 0.056 0.000 1.130 330 D CA 0.285 54.323 54.000 0.063 0.000 0.834 330 D CB 0.415 41.233 40.800 0.029 0.000 0.985 330 D HN 0.419 nan 8.370 nan 0.000 0.504 331 K N 1.511 121.966 120.400 0.092 0.000 2.324 331 K HA 0.218 4.539 4.320 0.002 0.000 0.253 331 K C -0.498 176.139 176.600 0.062 0.000 0.932 331 K CA -0.867 55.463 56.287 0.072 0.000 0.799 331 K CB 2.234 34.790 32.500 0.094 0.000 1.154 331 K HN -0.102 nan 8.250 nan 0.000 0.425 332 D N 1.461 121.889 120.400 0.046 0.000 2.384 332 D HA -0.040 4.601 4.640 0.002 0.000 0.244 332 D C 0.993 177.269 176.300 -0.040 0.000 1.251 332 D CA -0.308 53.704 54.000 0.020 0.000 0.961 332 D CB 0.765 41.601 40.800 0.059 0.000 1.116 332 D HN 0.529 nan 8.370 nan 0.000 0.484 333 K N -0.099 120.205 120.400 -0.160 0.000 2.152 333 K HA -0.181 4.140 4.320 0.002 0.000 0.206 333 K C 1.836 178.267 176.600 -0.281 0.000 1.048 333 K CA 1.210 57.329 56.287 -0.280 0.000 0.933 333 K CB -0.593 31.668 32.500 -0.399 0.000 0.721 333 K HN 0.459 nan 8.250 nan 0.000 0.447 334 F N 2.863 122.829 119.950 0.027 0.000 2.206 334 F HA -0.052 4.476 4.527 0.002 0.000 0.298 334 F C 2.535 178.356 175.800 0.035 0.000 1.090 334 F CA 1.188 59.206 58.000 0.030 0.000 1.323 334 F CB -0.144 38.874 39.000 0.030 0.000 1.028 334 F HN 0.161 nan 8.300 nan 0.000 0.492 335 E N 0.197 120.509 120.200 0.187 0.000 2.152 335 E HA -0.100 4.251 4.350 0.002 0.000 0.192 335 E C 2.168 178.861 176.600 0.154 0.000 0.983 335 E CA 1.338 57.823 56.400 0.143 0.000 0.818 335 E CB -0.787 28.970 29.700 0.095 0.000 0.758 335 E HN 0.278 nan 8.360 nan 0.000 0.467 336 V N 2.040 121.992 119.914 0.063 0.000 2.343 336 V HA -0.237 3.884 4.120 0.002 0.000 0.247 336 V C 2.389 178.478 176.094 -0.009 0.000 1.051 336 V CA 2.315 64.587 62.300 -0.046 0.000 1.036 336 V CB -0.797 30.736 31.823 -0.484 0.000 0.654 336 V HN 0.363 nan 8.190 nan 0.000 0.451 337 T N -0.706 113.855 114.554 0.012 0.000 2.708 337 T HA -0.239 4.112 4.350 0.002 0.000 0.266 337 T C 1.884 176.656 174.700 0.120 0.000 1.037 337 T CA 1.793 63.928 62.100 0.058 0.000 1.146 337 T CB -0.222 68.698 68.868 0.087 0.000 0.865 337 T HN 0.599 nan 8.240 nan 0.000 0.435 338 E N -0.532 119.765 120.200 0.162 0.000 2.058 338 E HA -0.197 4.154 4.350 0.002 0.000 0.194 338 E C 2.024 178.776 176.600 0.255 0.000 0.997 338 E CA 1.301 57.807 56.400 0.177 0.000 0.801 338 E CB -0.161 29.637 29.700 0.162 0.000 0.746 338 E HN 0.590 nan 8.360 nan 0.000 0.450 339 W N 1.149 122.494 121.300 0.076 0.000 2.355 339 W HA -0.076 4.585 4.660 0.002 0.000 0.309 339 W C 2.136 178.794 176.519 0.232 0.000 1.206 339 W CA 2.005 59.432 57.345 0.135 0.000 1.284 339 W CB -0.863 28.662 29.460 0.107 0.000 1.145 339 W HN 0.133 nan 8.180 nan 0.000 0.502 340 A N 0.665 123.558 122.820 0.121 0.000 1.930 340 A HA 0.030 4.351 4.320 0.002 0.000 0.217 340 A C 2.182 179.845 177.584 0.131 0.000 1.175 340 A CA 2.555 54.608 52.037 0.026 0.000 0.627 340 A CB -1.433 17.550 19.000 -0.029 0.000 0.815 340 A HN 0.373 nan 8.150 nan 0.000 0.443 341 A N -0.424 122.470 122.820 0.124 0.000 1.986 341 A HA -0.260 4.061 4.320 0.002 0.000 0.220 341 A C 2.057 179.704 177.584 0.104 0.000 1.171 341 A CA 1.735 53.832 52.037 0.099 0.000 0.640 341 A CB -0.600 18.454 19.000 0.090 0.000 0.811 341 A HN 0.689 nan 8.150 nan 0.000 0.451 342 Q N -1.964 117.921 119.800 0.142 0.000 2.170 342 Q HA -0.185 4.156 4.340 0.002 0.000 0.203 342 Q C 1.366 177.324 176.000 -0.070 0.000 0.976 342 Q CA 1.742 57.569 55.803 0.039 0.000 0.858 342 Q CB -0.252 28.509 28.738 0.038 0.000 0.907 342 Q HN 0.912 nan 8.270 nan 0.000 0.433 343 Y N -1.247 119.067 120.300 0.024 0.000 2.500 343 Y HA 0.191 4.742 4.550 0.002 0.000 0.270 343 Y C 1.513 177.410 175.900 -0.004 0.000 1.134 343 Y CA 0.329 58.431 58.100 0.004 0.000 1.293 343 Y CB 0.872 39.316 38.460 -0.026 0.000 1.063 343 Y HN 0.193 nan 8.280 nan 0.000 0.534 344 G N 1.068 109.944 108.800 0.127 0.000 2.136 344 G HA2 -0.298 3.663 3.960 0.002 0.000 0.242 344 G HA3 -0.298 3.663 3.960 0.002 0.000 0.242 344 G C 0.038 174.961 174.900 0.039 0.000 0.989 344 G CA -0.065 45.075 45.100 0.067 0.000 0.682 344 G HN 0.288 nan 8.290 nan 0.000 0.522 345 I N 1.680 122.263 120.570 0.022 0.000 2.496 345 I HA 0.226 4.397 4.170 0.002 0.000 0.285 345 I C -1.670 174.362 176.117 -0.142 0.000 1.080 345 I CA -1.968 59.274 61.300 -0.097 0.000 1.404 345 I CB 0.893 38.768 38.000 -0.209 0.000 1.403 345 I HN -0.131 nan 8.210 nan 0.000 0.539 346 P HA 0.023 nan 4.420 nan 0.000 0.263 346 P C -0.817 176.387 177.300 -0.161 0.000 1.247 346 P CA 0.015 63.058 63.100 -0.096 0.000 0.876 346 P CB 0.121 31.800 31.700 -0.035 0.000 0.928 347 C N 3.587 122.831 119.300 -0.092 0.000 2.985 347 C HA 0.891 5.352 4.460 0.002 0.000 0.332 347 C C -0.370 174.639 174.990 0.032 0.000 1.164 347 C CA -0.014 58.975 59.018 -0.047 0.000 1.347 347 C CB 1.287 28.963 27.740 -0.105 0.000 1.764 347 C HN 0.661 nan 8.230 nan 0.000 0.489 348 G N 4.484 113.332 108.800 0.079 0.000 2.698 348 G HA2 0.737 4.698 3.960 0.002 0.000 0.293 348 G HA3 0.737 4.698 3.960 0.002 0.000 0.293 348 G C -3.470 171.467 174.900 0.062 0.000 1.437 348 G CA -0.708 44.434 45.100 0.070 0.000 0.852 348 G HN 0.606 nan 8.290 nan 0.000 0.499 349 P HA 0.311 nan 4.420 nan 0.000 0.278 349 P C 0.059 177.360 177.300 0.003 0.000 1.238 349 P CA -0.303 62.761 63.100 -0.061 0.000 0.794 349 P CB 1.646 33.226 31.700 -0.199 0.000 0.955 350 V N 4.636 124.559 119.914 0.014 0.000 2.421 350 V HA 0.029 4.150 4.120 0.002 0.000 0.271 350 V C 0.974 177.081 176.094 0.021 0.000 1.031 350 V CA 0.326 62.646 62.300 0.034 0.000 1.032 350 V CB -0.485 31.380 31.823 0.071 0.000 1.009 350 V HN 0.481 nan 8.190 nan 0.000 0.477 351 M N 4.755 124.379 119.600 0.040 0.000 2.162 351 M HA 0.256 4.737 4.480 0.002 0.000 0.356 351 M C 0.582 176.920 176.300 0.064 0.000 1.303 351 M CA 0.326 55.672 55.300 0.076 0.000 1.116 351 M CB 1.191 33.843 32.600 0.087 0.000 1.632 351 M HN 0.774 nan 8.290 nan 0.000 0.469 352 S N 3.365 119.116 115.700 0.086 0.000 2.617 352 S HA 0.310 4.780 4.470 0.002 0.000 0.269 352 S C 1.210 175.845 174.600 0.057 0.000 1.292 352 S CA -0.684 57.558 58.200 0.071 0.000 1.010 352 S CB 1.024 64.277 63.200 0.088 0.000 0.944 352 S HN 0.635 nan 8.310 nan 0.000 0.536 353 M N 1.321 120.944 119.600 0.038 0.000 2.159 353 M HA -0.034 4.447 4.480 0.002 0.000 0.263 353 M C 2.064 178.373 176.300 0.015 0.000 1.063 353 M CA 1.716 57.026 55.300 0.017 0.000 1.110 353 M CB -1.672 30.932 32.600 0.007 0.000 1.374 353 M HN 0.949 nan 8.290 nan 0.000 0.411 354 K N 0.556 120.990 120.400 0.057 0.000 2.057 354 K HA -0.183 4.138 4.320 0.002 0.000 0.207 354 K C 1.779 178.469 176.600 0.149 0.000 1.049 354 K CA 1.642 57.997 56.287 0.113 0.000 0.931 354 K CB 0.034 32.624 32.500 0.150 0.000 0.714 354 K HN 0.351 nan 8.250 nan 0.000 0.440 355 E N 0.439 120.716 120.200 0.129 0.000 2.077 355 E HA -0.178 4.173 4.350 0.002 0.000 0.193 355 E C 2.041 178.692 176.600 0.084 0.000 0.989 355 E CA 1.373 57.856 56.400 0.138 0.000 0.800 355 E CB -0.039 29.769 29.700 0.181 0.000 0.746 355 E HN 0.292 nan 8.360 nan 0.000 0.452 356 L N 0.354 121.603 121.223 0.042 0.000 2.109 356 L HA -0.100 4.241 4.340 0.002 0.000 0.207 356 L C 2.542 179.376 176.870 -0.061 0.000 1.086 356 L CA 0.831 55.672 54.840 0.001 0.000 0.760 356 L CB -0.410 41.646 42.059 -0.005 0.000 0.910 356 L HN 0.128 nan 8.230 nan 0.000 0.437 357 A N -0.706 122.031 122.820 -0.139 0.000 1.978 357 A HA -0.207 4.114 4.320 0.002 0.000 0.220 357 A C 1.775 179.106 177.584 -0.422 0.000 1.170 357 A CA 1.540 53.383 52.037 -0.323 0.000 0.636 357 A CB -0.576 18.134 19.000 -0.483 0.000 0.810 357 A HN 0.513 nan 8.150 nan 0.000 0.448 358 H N -1.405 117.670 119.070 0.009 0.000 2.592 358 H HA 0.149 4.706 4.556 0.002 0.000 0.279 358 H C -0.678 174.645 175.328 -0.008 0.000 1.089 358 H CA -0.339 55.710 56.048 0.001 0.000 1.150 358 H CB -0.121 29.644 29.762 0.004 0.000 1.575 358 H HN 0.531 nan 8.280 nan 0.000 0.547 359 D N 2.413 122.845 120.400 0.055 0.000 2.371 359 D HA 0.039 4.680 4.640 0.002 0.000 0.256 359 D C -1.454 174.849 176.300 0.006 0.000 1.193 359 D CA -1.607 52.408 54.000 0.025 0.000 0.881 359 D CB 1.760 42.568 40.800 0.013 0.000 1.143 359 D HN 0.012 nan 8.370 nan 0.000 0.473 360 P HA -0.084 nan 4.420 nan 0.000 0.218 360 P C 1.074 178.363 177.300 -0.019 0.000 1.149 360 P CA 0.669 63.763 63.100 -0.010 0.000 0.817 360 P CB 0.271 31.961 31.700 -0.016 0.000 0.785 361 S N -0.562 115.126 115.700 -0.021 0.000 2.383 361 S HA -0.067 4.404 4.470 0.002 0.000 0.227 361 S C 1.811 176.393 174.600 -0.029 0.000 1.026 361 S CA 0.990 59.176 58.200 -0.024 0.000 0.981 361 S CB -1.000 62.188 63.200 -0.019 0.000 0.818 361 S HN 0.127 nan 8.310 nan 0.000 0.472 362 L N 1.034 122.240 121.223 -0.028 0.000 2.156 362 L HA -0.105 4.236 4.340 0.002 0.000 0.208 362 L C 2.682 179.524 176.870 -0.048 0.000 1.095 362 L CA 1.055 55.871 54.840 -0.039 0.000 0.770 362 L CB -0.398 41.639 42.059 -0.037 0.000 0.914 362 L HN 0.344 nan 8.230 nan 0.000 0.439 363 Q N -0.093 119.682 119.800 -0.042 0.000 2.083 363 Q HA -0.239 4.102 4.340 0.002 0.000 0.198 363 Q C 2.165 178.136 176.000 -0.049 0.000 0.969 363 Q CA 1.408 57.183 55.803 -0.047 0.000 0.838 363 Q CB -0.045 28.672 28.738 -0.036 0.000 0.900 363 Q HN 0.334 nan 8.270 nan 0.000 0.436 364 K N 0.899 121.275 120.400 -0.040 0.000 2.074 364 K HA -0.159 4.162 4.320 0.002 0.000 0.209 364 K C 1.799 178.370 176.600 -0.047 0.000 1.048 364 K CA 1.703 57.966 56.287 -0.040 0.000 0.926 364 K CB -0.048 32.433 32.500 -0.032 0.000 0.713 364 K HN 0.241 nan 8.250 nan 0.000 0.444 365 V N -2.884 117.000 119.914 -0.051 0.000 3.541 365 V HA 0.322 4.443 4.120 0.002 0.000 0.267 365 V C 1.024 177.074 176.094 -0.074 0.000 1.213 365 V CA 0.584 62.849 62.300 -0.058 0.000 1.149 365 V CB -0.354 31.436 31.823 -0.054 0.000 0.822 365 V HN 0.467 nan 8.190 nan 0.000 0.462 366 G N 0.088 108.841 108.800 -0.078 0.000 2.147 366 G HA2 -0.270 3.691 3.960 0.002 0.000 0.244 366 G HA3 -0.270 3.691 3.960 0.002 0.000 0.244 366 G C 0.471 175.307 174.900 -0.106 0.000 1.005 366 G CA 0.709 45.750 45.100 -0.098 0.000 0.713 366 G HN 0.538 nan 8.290 nan 0.000 0.515 367 T N -0.853 113.646 114.554 -0.092 0.000 3.010 367 T HA 0.261 4.612 4.350 0.002 0.000 0.252 367 T C 1.139 175.789 174.700 -0.084 0.000 1.047 367 T CA 1.093 63.137 62.100 -0.094 0.000 1.140 367 T CB 0.483 69.299 68.868 -0.088 0.000 0.885 367 T HN 0.316 nan 8.240 nan 0.000 0.464 368 V N 3.086 122.954 119.914 -0.077 0.000 2.350 368 V HA 0.442 4.563 4.120 0.002 0.000 0.276 368 V C -0.464 175.579 176.094 -0.085 0.000 1.028 368 V CA -0.659 61.596 62.300 -0.075 0.000 0.860 368 V CB 1.328 33.110 31.823 -0.068 0.000 0.990 368 V HN 0.061 nan 8.190 nan 0.000 0.453 369 V N 4.227 124.081 119.914 -0.101 0.000 2.495 369 V HA 0.396 4.517 4.120 0.002 0.000 0.298 369 V C 0.130 176.144 176.094 -0.134 0.000 1.031 369 V CA -0.751 61.474 62.300 -0.125 0.000 0.871 369 V CB 1.967 33.688 31.823 -0.171 0.000 0.988 369 V HN 0.890 nan 8.190 nan 0.000 0.432 370 E N 3.237 123.364 120.200 -0.122 0.000 2.105 370 E HA 0.354 4.705 4.350 0.002 0.000 0.285 370 E C -0.992 175.504 176.600 -0.175 0.000 1.055 370 E CA -0.384 55.936 56.400 -0.133 0.000 0.843 370 E CB 1.374 31.028 29.700 -0.076 0.000 1.067 370 E HN 0.536 nan 8.360 nan 0.000 0.398 371 V N 4.964 124.703 119.914 -0.291 0.000 2.530 371 V HA 0.048 4.169 4.120 0.002 0.000 0.282 371 V C 0.311 176.305 176.094 -0.166 0.000 1.048 371 V CA -0.618 61.512 62.300 -0.284 0.000 0.997 371 V CB 1.373 32.897 31.823 -0.499 0.000 0.987 371 V HN 0.449 nan 8.190 nan 0.000 0.477 372 V N 4.514 124.378 119.914 -0.084 0.000 2.381 372 V HA 0.149 4.270 4.120 0.002 0.000 0.257 372 V C 0.264 176.366 176.094 0.015 0.000 1.057 372 V CA 0.130 62.414 62.300 -0.027 0.000 1.013 372 V CB 0.619 32.432 31.823 -0.018 0.000 1.069 372 V HN 0.904 nan 8.190 nan 0.000 0.484 373 D N 4.531 124.960 120.400 0.049 0.000 2.462 373 D HA 0.148 4.789 4.640 0.002 0.000 0.249 373 D C 1.124 177.472 176.300 0.079 0.000 1.117 373 D CA -0.461 53.598 54.000 0.098 0.000 0.900 373 D CB 1.273 42.185 40.800 0.188 0.000 1.039 373 D HN 0.772 nan 8.370 nan 0.000 0.516 374 E N 2.760 122.997 120.200 0.061 0.000 2.494 374 E HA 0.017 4.368 4.350 0.002 0.000 0.193 374 E C 0.859 177.489 176.600 0.049 0.000 1.074 374 E CA 0.231 56.659 56.400 0.048 0.000 0.867 374 E CB 0.278 30.000 29.700 0.036 0.000 0.924 374 E HN 0.478 nan 8.360 nan 0.000 0.502 375 I N 0.187 120.794 120.570 0.062 0.000 2.900 375 I HA 0.027 4.198 4.170 0.002 0.000 0.251 375 I C 2.303 178.456 176.117 0.060 0.000 1.102 375 I CA -0.031 61.302 61.300 0.055 0.000 1.457 375 I CB 0.051 38.085 38.000 0.057 0.000 1.285 375 I HN -0.017 nan 8.210 nan 0.000 0.459 376 R N 1.167 121.715 120.500 0.080 0.000 2.254 376 R HA 0.290 4.631 4.340 0.002 0.000 0.195 376 R C 0.436 176.788 176.300 0.086 0.000 0.957 376 R CA 0.507 56.657 56.100 0.082 0.000 1.024 376 R CB 0.318 30.676 30.300 0.098 0.000 0.952 376 R HN 0.437 nan 8.270 nan 0.000 0.484 377 G N 1.439 110.294 108.800 0.091 0.000 2.675 377 G HA2 -0.194 3.767 3.960 0.002 0.000 0.686 377 G HA3 -0.194 3.767 3.960 0.002 0.000 0.686 377 G C -1.195 173.780 174.900 0.125 0.000 1.215 377 G CA -1.051 44.102 45.100 0.088 0.000 0.777 377 G HN 0.132 nan 8.290 nan 0.000 0.638 378 N N 0.816 119.572 118.700 0.094 0.000 2.479 378 N HA 0.532 5.273 4.740 0.002 0.000 0.257 378 N C 0.461 176.054 175.510 0.137 0.000 1.232 378 N CA 0.902 53.998 53.050 0.077 0.000 0.920 378 N CB 0.640 39.140 38.487 0.021 0.000 1.105 378 N HN 1.028 nan 8.380 nan 0.000 0.444 379 H N -1.778 117.313 119.070 0.034 0.000 2.985 379 H HA 0.619 5.176 4.556 0.002 0.000 0.360 379 H C -1.105 174.232 175.328 0.015 0.000 1.221 379 H CA -1.042 55.026 56.048 0.034 0.000 1.121 379 H CB 0.544 30.337 29.762 0.052 0.000 1.854 379 H HN 0.247 nan 8.280 nan 0.000 0.551 380 L N 0.971 122.237 121.223 0.073 0.000 2.399 380 L HA 0.567 4.908 4.340 0.002 0.000 0.266 380 L C 0.346 177.261 176.870 0.075 0.000 1.114 380 L CA -0.392 54.443 54.840 -0.009 0.000 0.804 380 L CB 1.662 43.712 42.059 -0.015 0.000 1.146 380 L HN 0.833 nan 8.230 nan 0.000 0.451 381 T N 0.447 114.992 114.554 -0.015 0.000 2.864 381 T HA 0.488 4.839 4.350 0.002 0.000 0.299 381 T C -1.082 173.605 174.700 -0.021 0.000 1.166 381 T CA -0.431 61.686 62.100 0.028 0.000 1.007 381 T CB 1.770 70.679 68.868 0.069 0.000 1.219 381 T HN 0.181 nan 8.240 nan 0.000 0.506 382 V N 3.153 123.053 119.914 -0.023 0.000 2.488 382 V HA 0.561 4.682 4.120 0.002 0.000 0.277 382 V C 1.343 177.453 176.094 0.027 0.000 1.046 382 V CA 0.088 62.366 62.300 -0.036 0.000 0.986 382 V CB 0.763 32.544 31.823 -0.070 0.000 0.989 382 V HN 1.016 nan 8.190 nan 0.000 0.475 383 G N 3.137 111.923 108.800 -0.024 0.000 2.531 383 G HA2 0.541 4.502 3.960 0.002 0.000 0.253 383 G HA3 0.541 4.502 3.960 0.002 0.000 0.253 383 G C 0.157 175.079 174.900 0.037 0.000 1.439 383 G CA -0.188 44.897 45.100 -0.026 0.000 1.056 383 G HN 1.069 nan 8.290 nan 0.000 0.555 384 A N 0.124 122.955 122.820 0.018 0.000 2.451 384 A HA 0.501 4.822 4.320 0.002 0.000 0.266 384 A C -1.286 176.101 177.584 -0.328 0.000 1.119 384 A CA -0.812 51.178 52.037 -0.079 0.000 0.786 384 A CB 0.507 19.612 19.000 0.174 0.000 1.061 384 A HN 0.314 nan 8.150 nan 0.000 0.503 385 P HA 0.022 nan 4.420 nan 0.000 0.229 385 P C -0.331 176.677 177.300 -0.487 0.000 1.160 385 P CA 0.708 63.477 63.100 -0.552 0.000 0.777 385 P CB -0.028 31.338 31.700 -0.555 0.000 0.814 386 F N -0.228 119.718 119.950 -0.006 0.000 2.410 386 F HA 0.525 5.053 4.527 0.002 0.000 0.349 386 F C 0.593 176.266 175.800 -0.212 0.000 1.117 386 F CA -1.494 56.411 58.000 -0.157 0.000 1.104 386 F CB 0.547 39.439 39.000 -0.179 0.000 1.122 386 F HN -0.442 nan 8.300 nan 0.000 0.483 387 K N 3.642 123.924 120.400 -0.195 0.000 2.182 387 K HA 0.569 4.890 4.320 0.002 0.000 0.262 387 K C -1.323 175.077 176.600 -0.333 0.000 0.957 387 K CA -0.622 55.574 56.287 -0.152 0.000 0.842 387 K CB 1.797 34.236 32.500 -0.102 0.000 1.099 387 K HN 0.524 nan 8.250 nan 0.000 0.438 388 F N -0.244 119.669 119.950 -0.061 0.000 2.546 388 F HA 0.159 4.687 4.527 0.002 0.000 0.320 388 F C 1.675 177.465 175.800 -0.016 0.000 1.076 388 F CA -0.770 57.233 58.000 0.005 0.000 0.928 388 F CB 1.805 40.867 39.000 0.103 0.000 1.189 388 F HN 0.560 nan 8.300 nan 0.000 0.465 389 S N 0.041 115.860 115.700 0.197 0.000 2.436 389 S HA 0.004 4.475 4.470 0.002 0.000 0.228 389 S C 1.753 176.432 174.600 0.133 0.000 1.014 389 S CA 0.862 59.132 58.200 0.116 0.000 0.950 389 S CB -0.506 62.743 63.200 0.082 0.000 0.784 389 S HN 0.847 nan 8.310 nan 0.000 0.504 390 G N 0.417 109.344 108.800 0.212 0.000 2.744 390 G HA2 0.425 4.386 3.960 0.002 0.000 0.211 390 G HA3 0.425 4.386 3.960 0.002 0.000 0.211 390 G C 0.135 175.186 174.900 0.252 0.000 1.146 390 G CA 0.149 45.366 45.100 0.196 0.000 0.787 390 G HN 0.687 nan 8.290 nan 0.000 0.534 391 F N -1.294 118.690 119.950 0.057 0.000 2.678 391 F HA 0.774 5.302 4.527 0.002 0.000 0.308 391 F C -1.467 174.357 175.800 0.040 0.000 1.118 391 F CA -1.543 56.461 58.000 0.006 0.000 0.959 391 F CB 1.510 40.464 39.000 -0.076 0.000 1.305 391 F HN -0.116 nan 8.300 nan 0.000 0.443 392 Q N 3.298 122.907 119.800 -0.318 0.000 2.342 392 Q HA 0.612 4.953 4.340 0.002 0.000 0.267 392 Q C -2.729 173.152 176.000 -0.198 0.000 1.038 392 Q CA -2.200 53.365 55.803 -0.398 0.000 0.832 392 Q CB 2.555 31.201 28.738 -0.153 0.000 1.323 392 Q HN 0.440 nan 8.270 nan 0.000 0.448 393 P HA 0.058 nan 4.420 nan 0.000 0.272 393 P C -1.236 176.019 177.300 -0.074 0.000 1.223 393 P CA -0.019 63.082 63.100 0.002 0.000 0.784 393 P CB 0.543 32.188 31.700 -0.091 0.000 0.923 394 E N 1.727 121.898 120.200 -0.048 0.000 2.489 394 E HA 0.288 4.639 4.350 0.002 0.000 0.232 394 E C -0.466 176.062 176.600 -0.120 0.000 0.990 394 E CA -0.312 56.044 56.400 -0.074 0.000 0.768 394 E CB 0.406 30.099 29.700 -0.011 0.000 1.270 394 E HN 0.376 nan 8.360 nan 0.000 0.423 395 I N 2.870 123.299 120.570 -0.234 0.000 2.396 395 I HA 0.082 4.253 4.170 0.002 0.000 0.289 395 I C 0.674 176.731 176.117 -0.100 0.000 1.056 395 I CA 0.128 61.266 61.300 -0.270 0.000 1.365 395 I CB 0.544 38.239 38.000 -0.507 0.000 1.407 395 I HN 0.325 nan 8.210 nan 0.000 0.509 396 T N 3.072 117.622 114.554 -0.006 0.000 2.932 396 T HA 0.548 4.899 4.350 0.002 0.000 0.289 396 T C -0.023 174.725 174.700 0.081 0.000 1.039 396 T CA -1.222 60.896 62.100 0.030 0.000 1.024 396 T CB 1.428 70.321 68.868 0.041 0.000 1.090 396 T HN 0.671 nan 8.240 nan 0.000 0.496 397 R N 1.155 121.712 120.500 0.094 0.000 2.811 397 R HA 0.495 4.836 4.340 0.002 0.000 0.265 397 R C 0.261 176.664 176.300 0.171 0.000 1.026 397 R CA -0.443 55.748 56.100 0.152 0.000 1.142 397 R CB -0.200 30.191 30.300 0.151 0.000 1.027 397 R HN 0.805 nan 8.270 nan 0.000 0.465 398 A N 3.536 126.479 122.820 0.203 0.000 2.462 398 A HA 0.300 4.621 4.320 0.002 0.000 0.243 398 A C -1.891 175.867 177.584 0.290 0.000 1.076 398 A CA -1.455 50.701 52.037 0.199 0.000 0.773 398 A CB -0.248 18.841 19.000 0.149 0.000 1.010 398 A HN 0.746 nan 8.150 nan 0.000 0.493 399 P HA 0.259 nan 4.420 nan 0.000 0.272 399 P C -0.508 176.958 177.300 0.277 0.000 1.223 399 P CA -0.067 63.236 63.100 0.338 0.000 0.784 399 P CB 0.516 32.442 31.700 0.377 0.000 0.923 400 L N 1.562 122.871 121.223 0.142 0.000 2.453 400 L HA 0.198 4.539 4.340 0.002 0.000 0.261 400 L C 1.093 177.970 176.870 0.012 0.000 1.179 400 L CA -1.045 53.819 54.840 0.041 0.000 0.813 400 L CB -0.155 41.906 42.059 0.003 0.000 1.110 400 L HN 0.264 nan 8.230 nan 0.000 0.466 401 L N 2.386 123.571 121.223 -0.064 0.000 2.534 401 L HA 0.263 4.604 4.340 0.002 0.000 0.271 401 L C 0.964 177.821 176.870 -0.021 0.000 1.178 401 L CA 1.073 55.874 54.840 -0.064 0.000 0.907 401 L CB 0.122 42.110 42.059 -0.119 0.000 1.164 401 L HN 0.776 nan 8.230 nan 0.000 0.482 402 G N 3.044 111.850 108.800 0.010 0.000 2.221 402 G HA2 -0.315 3.646 3.960 0.002 0.000 0.265 402 G HA3 -0.315 3.646 3.960 0.002 0.000 0.265 402 G C 0.807 175.709 174.900 0.003 0.000 1.041 402 G CA 0.635 45.749 45.100 0.023 0.000 0.807 402 G HN 0.800 nan 8.290 nan 0.000 0.502 403 E N -1.025 119.156 120.200 -0.032 0.000 2.285 403 E HA -0.022 4.329 4.350 0.002 0.000 0.194 403 E C 1.395 177.757 176.600 -0.396 0.000 0.997 403 E CA 0.876 57.142 56.400 -0.224 0.000 0.845 403 E CB 0.117 29.626 29.700 -0.318 0.000 0.782 403 E HN 0.817 nan 8.360 nan 0.000 0.491 404 H N -1.815 117.275 119.070 0.034 0.000 2.785 404 H HA 0.209 4.766 4.556 0.002 0.000 0.268 404 H C 1.300 176.643 175.328 0.024 0.000 1.153 404 H CA 0.091 56.156 56.048 0.028 0.000 1.111 404 H CB 0.812 30.588 29.762 0.024 0.000 1.633 404 H HN -0.037 nan 8.280 nan 0.000 0.576 405 T N 0.650 115.262 114.554 0.096 0.000 2.624 405 T HA -0.194 4.157 4.350 0.002 0.000 0.268 405 T C 1.393 176.135 174.700 0.069 0.000 1.041 405 T CA 2.073 64.213 62.100 0.066 0.000 1.159 405 T CB -0.106 68.796 68.868 0.056 0.000 0.863 405 T HN 0.445 nan 8.240 nan 0.000 0.434 406 D N 0.408 120.864 120.400 0.094 0.000 2.123 406 D HA -0.051 4.590 4.640 0.002 0.000 0.200 406 D C 2.134 178.474 176.300 0.067 0.000 0.976 406 D CA 0.822 54.878 54.000 0.092 0.000 0.831 406 D CB -0.443 40.414 40.800 0.095 0.000 0.974 406 D HN 0.522 nan 8.370 nan 0.000 0.469 407 E N 0.555 120.799 120.200 0.074 0.000 2.097 407 E HA -0.160 4.191 4.350 0.002 0.000 0.196 407 E C 1.985 178.623 176.600 0.064 0.000 1.000 407 E CA 0.908 57.355 56.400 0.078 0.000 0.804 407 E CB 0.202 29.977 29.700 0.125 0.000 0.740 407 E HN 0.012 nan 8.360 nan 0.000 0.454 408 V N 0.865 120.818 119.914 0.065 0.000 2.407 408 V HA -0.199 3.922 4.120 0.002 0.000 0.245 408 V C 2.321 178.428 176.094 0.021 0.000 1.041 408 V CA 1.178 63.498 62.300 0.035 0.000 1.040 408 V CB -0.290 31.549 31.823 0.026 0.000 0.671 408 V HN 0.323 nan 8.190 nan 0.000 0.455 409 L N -0.571 120.666 121.223 0.024 0.000 2.141 409 L HA -0.151 4.190 4.340 0.002 0.000 0.209 409 L C 2.513 179.396 176.870 0.022 0.000 1.094 409 L CA 1.179 56.029 54.840 0.017 0.000 0.763 409 L CB -0.501 41.566 42.059 0.014 0.000 0.908 409 L HN 0.234 nan 8.230 nan 0.000 0.437 410 K N 0.380 120.798 120.400 0.028 0.000 2.155 410 K HA -0.117 4.204 4.320 0.002 0.000 0.203 410 K C 1.897 178.509 176.600 0.020 0.000 1.052 410 K CA 0.997 57.299 56.287 0.026 0.000 0.948 410 K CB -0.098 32.420 32.500 0.030 0.000 0.728 410 K HN 0.278 nan 8.250 nan 0.000 0.448 411 E N -0.097 120.114 120.200 0.018 0.000 2.268 411 E HA -0.066 4.285 4.350 0.002 0.000 0.195 411 E C 0.877 177.482 176.600 0.009 0.000 0.995 411 E CA 0.538 56.945 56.400 0.012 0.000 0.836 411 E CB 0.042 29.747 29.700 0.009 0.000 0.763 411 E HN 0.224 nan 8.360 nan 0.000 0.491 412 L N -0.371 120.858 121.223 0.010 0.000 2.612 412 L HA 0.191 4.532 4.340 0.002 0.000 0.230 412 L C 1.225 178.102 176.870 0.012 0.000 1.140 412 L CA 0.188 55.034 54.840 0.010 0.000 0.896 412 L CB 0.010 42.075 42.059 0.010 0.000 1.065 412 L HN 0.200 nan 8.230 nan 0.000 0.447 413 G N 0.417 109.224 108.800 0.013 0.000 2.143 413 G HA2 -0.278 3.683 3.960 0.002 0.000 0.248 413 G HA3 -0.278 3.683 3.960 0.002 0.000 0.248 413 G C -0.034 174.875 174.900 0.015 0.000 0.991 413 G CA -0.183 44.924 45.100 0.013 0.000 0.689 413 G HN 0.175 nan 8.290 nan 0.000 0.522 414 L N 0.485 121.718 121.223 0.017 0.000 2.395 414 L HA 0.642 4.982 4.340 0.002 0.000 0.269 414 L C 0.535 177.418 176.870 0.021 0.000 1.133 414 L CA -0.176 54.675 54.840 0.019 0.000 0.812 414 L CB 1.115 43.185 42.059 0.019 0.000 1.125 414 L HN 0.241 nan 8.230 nan 0.000 0.452 415 D N -0.439 119.974 120.400 0.021 0.000 2.268 415 D HA 0.138 4.779 4.640 0.002 0.000 0.249 415 D C 0.646 176.962 176.300 0.026 0.000 1.008 415 D CA -0.320 53.693 54.000 0.021 0.000 0.939 415 D CB 1.160 41.970 40.800 0.017 0.000 1.170 415 D HN 0.503 nan 8.370 nan 0.000 0.468 416 D N 1.607 122.022 120.400 0.026 0.000 2.220 416 D HA -0.272 4.369 4.640 0.002 0.000 0.198 416 D C 1.533 177.853 176.300 0.033 0.000 1.001 416 D CA 1.491 55.509 54.000 0.029 0.000 0.875 416 D CB -0.047 40.765 40.800 0.020 0.000 0.921 416 D HN 0.448 nan 8.370 nan 0.000 0.454 417 A N 1.978 124.814 122.820 0.026 0.000 1.855 417 A HA -0.184 4.137 4.320 0.002 0.000 0.215 417 A C 2.095 179.698 177.584 0.032 0.000 1.191 417 A CA 1.832 53.885 52.037 0.025 0.000 0.613 417 A CB -0.276 18.735 19.000 0.019 0.000 0.829 417 A HN 0.182 nan 8.150 nan 0.000 0.442 418 K N 0.847 121.265 120.400 0.029 0.000 2.296 418 K HA -0.038 4.283 4.320 0.002 0.000 0.200 418 K C 1.698 178.319 176.600 0.035 0.000 1.048 418 K CA 1.438 57.742 56.287 0.028 0.000 0.966 418 K CB -0.889 31.624 32.500 0.022 0.000 0.754 418 K HN 0.734 nan 8.250 nan 0.000 0.466 419 I N -1.118 119.481 120.570 0.048 0.000 2.617 419 I HA -0.052 4.119 4.170 0.002 0.000 0.256 419 I C 1.903 178.105 176.117 0.142 0.000 1.167 419 I CA 0.789 62.131 61.300 0.070 0.000 1.469 419 I CB -0.032 38.019 38.000 0.084 0.000 1.098 419 I HN -0.121 nan 8.210 nan 0.000 0.436 420 K N 1.137 121.609 120.400 0.119 0.000 2.155 420 K HA -0.070 4.251 4.320 0.002 0.000 0.203 420 K C 1.944 178.606 176.600 0.103 0.000 1.052 420 K CA 1.488 57.851 56.287 0.127 0.000 0.948 420 K CB -0.088 32.449 32.500 0.062 0.000 0.728 420 K HN 0.506 nan 8.250 nan 0.000 0.448 421 E N 0.888 121.126 120.200 0.064 0.000 2.110 421 E HA -0.158 4.193 4.350 0.002 0.000 0.193 421 E C 1.965 178.586 176.600 0.034 0.000 0.988 421 E CA 0.856 57.282 56.400 0.043 0.000 0.804 421 E CB -0.059 29.658 29.700 0.028 0.000 0.745 421 E HN 0.221 nan 8.360 nan 0.000 0.458 422 L N 0.506 121.739 121.223 0.017 0.000 2.056 422 L HA -0.166 4.175 4.340 0.002 0.000 0.207 422 L C 2.541 179.368 176.870 -0.070 0.000 1.078 422 L CA 0.979 55.793 54.840 -0.043 0.000 0.749 422 L CB -0.517 41.487 42.059 -0.091 0.000 0.901 422 L HN 0.242 nan 8.230 nan 0.000 0.433 423 H N -0.280 118.793 119.070 0.005 0.000 2.387 423 H HA -0.090 4.467 4.556 0.002 0.000 0.299 423 H C 2.258 177.586 175.328 0.001 0.000 1.090 423 H CA 1.509 57.558 56.048 0.002 0.000 1.332 423 H CB 0.065 29.826 29.762 -0.000 0.000 1.386 423 H HN 0.371 nan 8.280 nan 0.000 0.516 424 A N 1.247 124.139 122.820 0.120 0.000 1.898 424 A HA -0.134 4.187 4.320 0.002 0.000 0.216 424 A C 2.246 179.853 177.584 0.039 0.000 1.181 424 A CA 1.299 53.375 52.037 0.066 0.000 0.620 424 A CB -0.229 18.801 19.000 0.049 0.000 0.819 424 A HN 0.260 nan 8.150 nan 0.000 0.442 425 K N -0.728 119.688 120.400 0.027 0.000 2.486 425 K HA 0.023 4.344 4.320 0.002 0.000 0.194 425 K C -0.186 176.418 176.600 0.007 0.000 1.033 425 K CA 0.455 56.750 56.287 0.013 0.000 1.004 425 K CB -0.019 32.486 32.500 0.008 0.000 0.798 425 K HN 0.560 nan 8.250 nan 0.000 0.495 426 Q N -0.713 119.093 119.800 0.009 0.000 2.478 426 Q HA -0.181 4.160 4.340 0.002 0.000 0.286 426 Q C 0.350 176.340 176.000 -0.017 0.000 1.299 426 Q CA 0.186 55.990 55.803 0.002 0.000 0.826 426 Q CB -1.896 26.848 28.738 0.009 0.000 1.199 426 Q HN 0.142 nan 8.270 nan 0.000 0.451 427 V N -1.791 118.102 119.914 -0.035 0.000 3.174 427 V HA 0.119 4.240 4.120 0.002 0.000 0.254 427 V C 0.807 176.859 176.094 -0.069 0.000 1.120 427 V CA 1.103 63.380 62.300 -0.038 0.000 1.114 427 V CB 1.121 32.926 31.823 -0.030 0.000 0.756 427 V HN 0.296 nan 8.190 nan 0.000 0.467 428 V N 0.000 119.836 119.914 -0.129 0.000 2.409 428 V HA 0.000 4.121 4.120 0.002 0.000 0.244 428 V CA 0.000 62.178 62.300 -0.204 0.000 1.235 428 V CB 0.000 31.619 31.823 -0.341 0.000 1.184 428 V HN 0.000 nan 8.190 nan 0.000 0.556