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 1efv_1_B DATA FIRST_RESID 4 DATA SEQUENCE LRVLVAVKRV IDYAVKIRVK PDRTGVVTDG VKHSMNPFCE IAVEEAVRLK DATA SEQUENCE EKKLVKEVIA VSCGPAQCQE TIRTALAMGA DRGIHVEVPP AEAERLGPLQ DATA SEQUENCE VARVLAKLAE KEKVDLVLLG KQAIDDDCNQ TGQMTAGFLD WPQGTFASQV DATA SEQUENCE TLEGDKLKVE REIDGGLETL RLKLPAVVTA DLRLNEPRYA TLPNIMKAKK DATA SEQUENCE KKIEVIKPGD LGVDLTSKLS VISVEDPPQR TAGVKVETTE DLVAKLKEIG DATA SEQUENCE RI 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 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.875 176.870 0.008 0.000 1.165 4 L CA 0.000 54.837 54.840 -0.005 0.000 0.813 4 L CB 0.000 42.053 42.059 -0.009 0.000 0.961 5 R N 0.694 121.204 120.500 0.015 0.000 2.437 5 R HA 0.851 5.192 4.340 0.001 0.000 0.310 5 R C -1.361 174.966 176.300 0.044 0.000 0.955 5 R CA -0.815 55.303 56.100 0.030 0.000 0.851 5 R CB 2.150 32.472 30.300 0.037 0.000 1.161 5 R HN 0.264 nan 8.270 nan 0.000 0.446 6 V N 4.240 124.181 119.914 0.045 0.000 2.513 6 V HA 0.352 4.472 4.120 0.001 0.000 0.299 6 V C -0.664 175.468 176.094 0.063 0.000 1.035 6 V CA -0.936 61.398 62.300 0.057 0.000 0.889 6 V CB 1.871 33.721 31.823 0.045 0.000 0.988 6 V HN 0.507 nan 8.190 nan 0.000 0.440 7 L N 6.184 127.455 121.223 0.080 0.000 2.280 7 L HA 0.656 4.997 4.340 0.001 0.000 0.287 7 L C -0.576 176.332 176.870 0.064 0.000 1.023 7 L CA 0.141 55.024 54.840 0.071 0.000 0.819 7 L CB 1.456 43.564 42.059 0.082 0.000 1.212 7 L HN 0.464 nan 8.230 nan 0.000 0.420 8 V N 4.909 124.854 119.914 0.052 0.000 2.384 8 V HA 0.754 4.874 4.120 0.001 0.000 0.287 8 V C 0.306 176.428 176.094 0.046 0.000 1.020 8 V CA -0.590 61.739 62.300 0.050 0.000 0.850 8 V CB 1.274 33.123 31.823 0.043 0.000 0.987 8 V HN 0.898 nan 8.190 nan 0.000 0.436 9 A N 5.123 127.972 122.820 0.048 0.000 2.260 9 A HA 0.805 5.125 4.320 0.001 0.000 0.308 9 A C -0.268 177.346 177.584 0.050 0.000 1.254 9 A CA -0.464 51.602 52.037 0.047 0.000 0.874 9 A CB 0.940 19.967 19.000 0.045 0.000 1.153 9 A HN 1.354 nan 8.150 nan 0.000 0.527 10 V N 0.407 120.349 119.914 0.047 0.000 2.604 10 V HA 0.739 4.859 4.120 0.001 0.000 0.305 10 V C -0.461 175.663 176.094 0.049 0.000 1.043 10 V CA -0.923 61.406 62.300 0.047 0.000 0.888 10 V CB 1.555 33.399 31.823 0.034 0.000 0.995 10 V HN 0.875 nan 8.190 nan 0.000 0.429 11 K N 3.151 123.585 120.400 0.058 0.000 2.270 11 K HA 0.546 4.866 4.320 0.001 0.000 0.255 11 K C -0.507 176.132 176.600 0.065 0.000 0.936 11 K CA -0.888 55.436 56.287 0.062 0.000 0.809 11 K CB 2.007 34.549 32.500 0.069 0.000 1.131 11 K HN 0.936 nan 8.250 nan 0.000 0.427 12 R N 3.422 123.962 120.500 0.068 0.000 2.234 12 R HA 0.275 4.615 4.340 0.001 0.000 0.324 12 R C -0.585 175.799 176.300 0.140 0.000 1.054 12 R CA -0.430 55.724 56.100 0.091 0.000 0.912 12 R CB 0.523 30.864 30.300 0.069 0.000 1.030 12 R HN 0.462 nan 8.270 nan 0.000 0.455 13 V N 1.736 121.731 119.914 0.135 0.000 3.160 13 V HA 0.523 4.643 4.120 0.001 0.000 0.310 13 V C 0.092 176.138 176.094 -0.079 0.000 1.181 13 V CA -1.268 61.081 62.300 0.081 0.000 1.047 13 V CB 1.649 33.507 31.823 0.057 0.000 1.068 13 V HN 0.651 nan 8.190 nan 0.000 0.441 14 I N 1.751 122.157 120.570 -0.273 0.000 2.618 14 I HA 0.108 4.279 4.170 0.001 0.000 0.284 14 I C 0.618 176.630 176.117 -0.176 0.000 1.146 14 I CA 0.363 61.388 61.300 -0.459 0.000 1.425 14 I CB 0.314 38.095 38.000 -0.364 0.000 1.383 14 I HN 0.899 nan 8.210 nan 0.000 0.562 15 D N 5.030 125.340 120.400 -0.150 0.000 2.583 15 D HA -0.196 4.445 4.640 0.001 0.000 0.232 15 D C 1.063 177.311 176.300 -0.086 0.000 1.128 15 D CA 0.429 54.387 54.000 -0.070 0.000 0.859 15 D CB 0.514 41.249 40.800 -0.107 0.000 1.169 15 D HN 0.435 nan 8.370 nan 0.000 0.481 16 Y N 2.907 123.176 120.300 -0.051 0.000 2.315 16 Y HA -0.130 4.420 4.550 0.001 0.000 0.288 16 Y C 1.726 177.606 175.900 -0.034 0.000 1.154 16 Y CA 1.067 59.143 58.100 -0.040 0.000 1.229 16 Y CB -0.538 37.896 38.460 -0.044 0.000 0.980 16 Y HN 0.301 nan 8.280 nan 0.000 0.540 17 A N 0.785 123.076 122.820 -0.882 0.000 2.208 17 A HA 0.243 4.564 4.320 0.001 0.000 0.209 17 A C 0.753 178.172 177.584 -0.275 0.000 1.161 17 A CA 0.182 51.848 52.037 -0.617 0.000 0.782 17 A CB -0.709 17.873 19.000 -0.696 0.000 0.816 17 A HN 0.187 nan 8.150 nan 0.000 0.477 18 V N 1.388 121.174 119.914 -0.213 0.000 2.555 18 V HA 0.062 4.182 4.120 0.001 0.000 0.286 18 V C 0.673 176.716 176.094 -0.085 0.000 1.044 18 V CA -0.320 61.903 62.300 -0.129 0.000 1.026 18 V CB 1.139 32.891 31.823 -0.118 0.000 0.981 18 V HN 0.453 nan 8.190 nan 0.000 0.480 19 K N 6.156 126.518 120.400 -0.065 0.000 2.262 19 K HA 0.252 4.573 4.320 0.001 0.000 0.288 19 K C 0.020 176.599 176.600 -0.034 0.000 1.090 19 K CA -0.549 55.713 56.287 -0.041 0.000 0.918 19 K CB 0.108 32.588 32.500 -0.033 0.000 1.139 19 K HN 0.663 nan 8.250 nan 0.000 0.462 20 I N 0.880 121.432 120.570 -0.030 0.000 2.938 20 I HA 0.188 4.358 4.170 0.001 0.000 0.285 20 I C -0.445 175.664 176.117 -0.015 0.000 1.182 20 I CA -0.045 61.240 61.300 -0.025 0.000 1.388 20 I CB 0.636 38.623 38.000 -0.022 0.000 1.390 20 I HN 0.454 nan 8.210 nan 0.000 0.600 21 R N 3.512 124.006 120.500 -0.010 0.000 2.532 21 R HA 0.654 4.994 4.340 0.001 0.000 0.297 21 R C -1.409 174.891 176.300 0.000 0.000 0.984 21 R CA -0.985 55.113 56.100 -0.004 0.000 0.884 21 R CB 2.190 32.488 30.300 -0.003 0.000 1.182 21 R HN 0.568 nan 8.270 nan 0.000 0.442 22 V N 3.551 123.466 119.914 0.001 0.000 2.583 22 V HA 0.143 4.263 4.120 0.001 0.000 0.287 22 V C 0.453 176.550 176.094 0.005 0.000 1.051 22 V CA -0.489 61.814 62.300 0.004 0.000 1.010 22 V CB 1.079 32.904 31.823 0.004 0.000 0.988 22 V HN 0.618 nan 8.190 nan 0.000 0.478 23 K N 5.361 125.766 120.400 0.008 0.000 2.436 23 K HA 0.110 4.431 4.320 0.001 0.000 0.275 23 K C -1.645 174.958 176.600 0.006 0.000 0.999 23 K CA -0.981 55.311 56.287 0.008 0.000 0.980 23 K CB 0.519 33.025 32.500 0.010 0.000 0.919 23 K HN 0.396 nan 8.250 nan 0.000 0.484 24 P HA -0.168 nan 4.420 nan 0.000 0.220 24 P C 0.229 177.531 177.300 0.005 0.000 1.148 24 P CA 1.135 64.237 63.100 0.004 0.000 0.803 24 P CB 0.136 31.838 31.700 0.004 0.000 0.782 25 D N -1.336 119.067 120.400 0.005 0.000 2.363 25 D HA -0.066 4.575 4.640 0.001 0.000 0.226 25 D C 0.367 176.671 176.300 0.006 0.000 1.020 25 D CA -0.011 53.992 54.000 0.005 0.000 0.892 25 D CB -0.730 40.074 40.800 0.006 0.000 0.900 25 D HN -0.022 nan 8.370 nan 0.000 0.531 26 R N -1.173 119.331 120.500 0.006 0.000 3.525 26 R HA -0.158 4.182 4.340 0.001 0.000 0.276 26 R C 0.552 176.856 176.300 0.007 0.000 1.116 26 R CA 1.152 57.256 56.100 0.006 0.000 0.745 26 R CB -2.813 27.490 30.300 0.005 0.000 1.185 26 R HN 0.553 nan 8.270 nan 0.000 0.454 27 T N -4.165 110.394 114.554 0.009 0.000 3.022 27 T HA 0.445 4.795 4.350 0.001 0.000 0.250 27 T C 0.939 175.646 174.700 0.013 0.000 1.060 27 T CA 0.450 62.556 62.100 0.010 0.000 1.013 27 T CB 1.289 70.163 68.868 0.010 0.000 0.982 27 T HN 0.582 nan 8.240 nan 0.000 0.508 28 G N 0.897 109.704 108.800 0.013 0.000 2.336 28 G HA2 0.429 4.390 3.960 0.001 0.000 0.286 28 G HA3 0.429 4.390 3.960 0.001 0.000 0.286 28 G C -1.376 173.534 174.900 0.015 0.000 1.269 28 G CA -0.255 44.855 45.100 0.016 0.000 0.873 28 G HN 0.877 nan 8.290 nan 0.000 0.494 29 V N -1.477 118.448 119.914 0.018 0.000 2.850 29 V HA 0.842 4.963 4.120 0.001 0.000 0.315 29 V C 0.491 176.599 176.094 0.022 0.000 1.064 29 V CA -1.056 61.252 62.300 0.015 0.000 0.979 29 V CB 1.489 33.317 31.823 0.009 0.000 1.039 29 V HN 0.970 nan 8.190 nan 0.000 0.452 30 V N 3.766 123.690 119.914 0.018 0.000 2.529 30 V HA 0.258 4.379 4.120 0.001 0.000 0.292 30 V C 1.503 177.623 176.094 0.044 0.000 1.028 30 V CA 0.944 63.260 62.300 0.027 0.000 1.074 30 V CB 0.404 32.238 31.823 0.018 0.000 0.958 30 V HN 1.232 nan 8.190 nan 0.000 0.481 31 T N -0.520 114.079 114.554 0.076 0.000 2.964 31 T HA 0.128 4.479 4.350 0.001 0.000 0.250 31 T C 0.334 175.132 174.700 0.164 0.000 0.982 31 T CA -0.353 61.844 62.100 0.161 0.000 0.959 31 T CB 0.139 69.120 68.868 0.188 0.000 1.141 31 T HN 0.518 nan 8.240 nan 0.000 0.494 32 D N 2.245 122.692 120.400 0.079 0.000 2.417 32 D HA 0.440 5.081 4.640 0.001 0.000 0.250 32 D C 1.481 177.811 176.300 0.050 0.000 1.166 32 D CA 1.396 55.425 54.000 0.048 0.000 0.881 32 D CB 0.567 41.383 40.800 0.025 0.000 1.164 32 D HN 0.566 nan 8.370 nan 0.000 0.467 33 G N 1.415 110.242 108.800 0.045 0.000 2.155 33 G HA2 -0.244 3.716 3.960 0.001 0.000 0.257 33 G HA3 -0.244 3.716 3.960 0.001 0.000 0.257 33 G C 0.238 175.172 174.900 0.057 0.000 0.983 33 G CA 0.229 45.353 45.100 0.040 0.000 0.676 33 G HN 0.487 nan 8.290 nan 0.000 0.528 34 V N 0.711 120.688 119.914 0.105 0.000 2.472 34 V HA 0.455 4.575 4.120 0.001 0.000 0.290 34 V C 0.885 177.080 176.094 0.168 0.000 1.037 34 V CA -0.751 61.604 62.300 0.091 0.000 0.908 34 V CB 1.820 33.674 31.823 0.053 0.000 0.985 34 V HN 0.416 nan 8.190 nan 0.000 0.454 35 K N 3.257 123.697 120.400 0.065 0.000 2.416 35 K HA 0.163 4.484 4.320 0.001 0.000 0.283 35 K C -0.734 175.890 176.600 0.039 0.000 1.037 35 K CA 0.050 56.382 56.287 0.075 0.000 0.995 35 K CB 0.147 32.649 32.500 0.004 0.000 0.938 35 K HN 0.779 nan 8.250 nan 0.000 0.475 36 H N 0.448 119.513 119.070 -0.008 0.000 2.710 36 H HA 0.504 5.061 4.556 0.001 0.000 0.361 36 H C -0.655 174.674 175.328 0.002 0.000 1.175 36 H CA -0.273 55.776 56.048 0.001 0.000 1.206 36 H CB 2.025 31.788 29.762 0.001 0.000 1.750 36 H HN 0.818 nan 8.280 nan 0.000 0.553 37 S N 0.187 115.961 115.700 0.122 0.000 2.655 37 S HA 0.259 4.729 4.470 0.001 0.000 0.266 37 S C -0.802 173.836 174.600 0.063 0.000 1.149 37 S CA -1.150 57.093 58.200 0.072 0.000 0.818 37 S CB 1.143 64.373 63.200 0.050 0.000 1.130 37 S HN 0.610 nan 8.310 nan 0.000 0.476 38 M N 2.651 122.272 119.600 0.034 0.000 2.239 38 M HA 0.166 4.646 4.480 0.001 0.000 0.348 38 M C 0.461 176.781 176.300 0.034 0.000 1.239 38 M CA -0.021 55.296 55.300 0.028 0.000 1.114 38 M CB 0.180 32.781 32.600 0.002 0.000 1.641 38 M HN 0.835 nan 8.290 nan 0.000 0.453 39 N N 5.708 124.440 118.700 0.053 0.000 2.411 39 N HA 0.001 4.741 4.740 0.001 0.000 0.261 39 N C -2.112 173.412 175.510 0.023 0.000 1.248 39 N CA -1.004 52.089 53.050 0.071 0.000 0.885 39 N CB 0.923 39.479 38.487 0.115 0.000 1.062 39 N HN 0.431 nan 8.380 nan 0.000 0.471 40 P HA -0.153 nan 4.420 nan 0.000 0.216 40 P C 0.632 177.785 177.300 -0.246 0.000 1.154 40 P CA 1.470 64.424 63.100 -0.243 0.000 0.865 40 P CB 0.034 31.453 31.700 -0.468 0.000 0.789 41 F N -1.407 118.524 119.950 -0.031 0.000 2.234 41 F HA -0.157 4.371 4.527 0.001 0.000 0.299 41 F C 2.414 178.214 175.800 -0.000 0.000 1.087 41 F CA 0.861 58.854 58.000 -0.011 0.000 1.340 41 F CB -1.448 37.556 39.000 0.006 0.000 1.031 41 F HN -0.017 nan 8.300 nan 0.000 0.500 42 C N -0.183 119.214 119.300 0.161 0.000 2.446 42 C HA -0.130 4.330 4.460 0.001 0.000 0.277 42 C C 2.613 177.632 174.990 0.047 0.000 1.275 42 C CA 0.641 59.717 59.018 0.097 0.000 1.727 42 C CB -1.011 26.776 27.740 0.078 0.000 2.010 42 C HN 0.470 nan 8.230 nan 0.000 0.486 43 E N 0.803 121.007 120.200 0.007 0.000 2.097 43 E HA -0.206 4.144 4.350 0.001 0.000 0.196 43 E C 1.884 178.476 176.600 -0.014 0.000 1.000 43 E CA 1.295 57.679 56.400 -0.026 0.000 0.804 43 E CB -0.184 29.469 29.700 -0.078 0.000 0.740 43 E HN 0.663 nan 8.360 nan 0.000 0.454 44 I N 0.708 121.275 120.570 -0.006 0.000 2.315 44 I HA -0.222 3.949 4.170 0.001 0.000 0.248 44 I C 2.479 178.620 176.117 0.040 0.000 1.117 44 I CA 0.680 61.987 61.300 0.012 0.000 1.404 44 I CB -0.222 37.789 38.000 0.020 0.000 1.071 44 I HN 0.085 nan 8.210 nan 0.000 0.419 45 A N 0.517 123.372 122.820 0.058 0.000 1.902 45 A HA -0.136 4.185 4.320 0.001 0.000 0.217 45 A C 2.415 180.024 177.584 0.041 0.000 1.181 45 A CA 1.618 53.691 52.037 0.059 0.000 0.623 45 A CB -0.878 18.164 19.000 0.070 0.000 0.818 45 A HN 0.223 nan 8.150 nan 0.000 0.443 46 V N 0.157 120.090 119.914 0.032 0.000 2.295 46 V HA -0.247 3.873 4.120 0.001 0.000 0.246 46 V C 2.598 178.705 176.094 0.020 0.000 1.049 46 V CA 2.409 64.723 62.300 0.024 0.000 1.024 46 V CB -0.795 31.037 31.823 0.014 0.000 0.648 46 V HN 0.733 nan 8.190 nan 0.000 0.447 47 E N 0.722 120.932 120.200 0.016 0.000 2.085 47 E HA -0.270 4.080 4.350 0.001 0.000 0.194 47 E C 2.048 178.661 176.600 0.022 0.000 0.994 47 E CA 1.828 58.238 56.400 0.017 0.000 0.801 47 E CB -0.273 29.435 29.700 0.014 0.000 0.743 47 E HN 0.591 nan 8.360 nan 0.000 0.453 48 E N -0.219 119.997 120.200 0.026 0.000 2.072 48 E HA -0.041 4.309 4.350 0.001 0.000 0.191 48 E C 1.840 178.455 176.600 0.026 0.000 0.985 48 E CA 1.417 57.833 56.400 0.027 0.000 0.801 48 E CB -0.549 29.171 29.700 0.033 0.000 0.750 48 E HN 0.332 nan 8.360 nan 0.000 0.452 49 A N -0.054 122.782 122.820 0.028 0.000 1.902 49 A HA -0.146 4.174 4.320 0.001 0.000 0.217 49 A C 2.468 180.066 177.584 0.023 0.000 1.181 49 A CA 1.669 53.723 52.037 0.027 0.000 0.623 49 A CB -0.751 18.267 19.000 0.031 0.000 0.818 49 A HN 0.195 nan 8.150 nan 0.000 0.443 50 V N -0.136 119.791 119.914 0.022 0.000 2.358 50 V HA -0.251 3.869 4.120 0.001 0.000 0.246 50 V C 2.613 178.718 176.094 0.018 0.000 1.047 50 V CA 2.184 64.496 62.300 0.019 0.000 1.035 50 V CB -0.815 31.019 31.823 0.019 0.000 0.658 50 V HN 0.518 nan 8.190 nan 0.000 0.452 51 R N -0.375 120.136 120.500 0.019 0.000 2.096 51 R HA -0.100 4.241 4.340 0.001 0.000 0.235 51 R C 2.286 178.595 176.300 0.015 0.000 1.127 51 R CA 1.370 57.480 56.100 0.017 0.000 0.968 51 R CB -0.406 29.905 30.300 0.018 0.000 0.861 51 R HN 0.426 nan 8.270 nan 0.000 0.440 52 L N 0.569 121.801 121.223 0.015 0.000 2.083 52 L HA -0.187 4.154 4.340 0.001 0.000 0.209 52 L C 2.594 179.470 176.870 0.011 0.000 1.083 52 L CA 1.345 56.193 54.840 0.012 0.000 0.752 52 L CB -0.363 41.703 42.059 0.013 0.000 0.899 52 L HN 0.169 nan 8.230 nan 0.000 0.433 53 K N 0.423 120.831 120.400 0.013 0.000 2.097 53 K HA -0.172 4.148 4.320 0.001 0.000 0.205 53 K C 1.878 178.485 176.600 0.011 0.000 1.050 53 K CA 1.256 57.550 56.287 0.012 0.000 0.938 53 K CB 0.103 32.611 32.500 0.014 0.000 0.718 53 K HN 0.334 nan 8.250 nan 0.000 0.442 54 E N 0.174 120.381 120.200 0.012 0.000 2.204 54 E HA -0.131 4.219 4.350 0.001 0.000 0.194 54 E C 1.252 177.857 176.600 0.009 0.000 0.989 54 E CA 0.853 57.259 56.400 0.011 0.000 0.824 54 E CB 0.192 29.899 29.700 0.012 0.000 0.756 54 E HN 0.231 nan 8.360 nan 0.000 0.477 55 K N 0.521 120.926 120.400 0.008 0.000 2.444 55 K HA 0.064 4.385 4.320 0.001 0.000 0.193 55 K C -0.051 176.552 176.600 0.005 0.000 1.024 55 K CA 0.064 56.355 56.287 0.006 0.000 1.077 55 K CB 0.343 32.847 32.500 0.006 0.000 0.833 55 K HN -0.056 nan 8.250 nan 0.000 0.517 56 K N 0.456 120.860 120.400 0.005 0.000 3.117 56 K HA -0.188 4.133 4.320 0.001 0.000 0.269 56 K C 0.367 176.968 176.600 0.002 0.000 1.098 56 K CA 0.471 56.760 56.287 0.004 0.000 0.785 56 K CB -1.715 30.787 32.500 0.003 0.000 1.242 56 K HN 0.271 nan 8.250 nan 0.000 0.491 57 L N -0.665 120.559 121.223 0.003 0.000 2.609 57 L HA 0.141 4.481 4.340 0.001 0.000 0.230 57 L C 0.601 177.471 176.870 0.000 0.000 1.087 57 L CA 0.064 54.904 54.840 0.000 0.000 0.874 57 L CB 0.762 42.821 42.059 -0.000 0.000 1.114 57 L HN -0.064 nan 8.230 nan 0.000 0.488 58 V N 0.056 119.973 119.914 0.004 0.000 2.656 58 V HA 0.178 4.299 4.120 0.001 0.000 0.307 58 V C 0.650 176.749 176.094 0.008 0.000 1.051 58 V CA -0.627 61.677 62.300 0.007 0.000 0.893 58 V CB 2.600 34.429 31.823 0.011 0.000 0.999 58 V HN 0.064 nan 8.190 nan 0.000 0.426 59 K N 2.840 123.246 120.400 0.009 0.000 2.099 59 K HA 0.200 4.520 4.320 0.001 0.000 0.203 59 K C 0.535 177.143 176.600 0.013 0.000 1.047 59 K CA 0.811 57.104 56.287 0.010 0.000 0.963 59 K CB 0.467 32.972 32.500 0.008 0.000 0.759 59 K HN 0.754 nan 8.250 nan 0.000 0.451 60 E N 0.161 120.371 120.200 0.016 0.000 2.314 60 E HA 0.285 4.636 4.350 0.001 0.000 0.272 60 E C -1.862 174.753 176.600 0.024 0.000 0.884 60 E CA -0.833 55.579 56.400 0.020 0.000 0.753 60 E CB 2.444 32.156 29.700 0.020 0.000 1.213 60 E HN -0.085 nan 8.360 nan 0.000 0.432 61 V N 5.299 125.228 119.914 0.025 0.000 2.407 61 V HA 0.416 4.536 4.120 0.001 0.000 0.291 61 V C -0.324 175.787 176.094 0.029 0.000 1.018 61 V CA -0.571 61.746 62.300 0.028 0.000 0.842 61 V CB 1.175 33.013 31.823 0.026 0.000 0.996 61 V HN 0.586 nan 8.190 nan 0.000 0.426 62 I N 4.245 124.836 120.570 0.034 0.000 2.339 62 I HA 0.706 4.876 4.170 0.001 0.000 0.290 62 I C 0.528 176.666 176.117 0.036 0.000 0.994 62 I CA -0.388 60.933 61.300 0.034 0.000 1.191 62 I CB 1.716 39.738 38.000 0.037 0.000 1.343 62 I HN 0.653 nan 8.210 nan 0.000 0.458 63 A N 6.277 129.116 122.820 0.033 0.000 2.301 63 A HA 0.767 5.088 4.320 0.001 0.000 0.312 63 A C -0.725 176.882 177.584 0.038 0.000 1.182 63 A CA -0.516 51.541 52.037 0.033 0.000 0.826 63 A CB 1.512 20.528 19.000 0.026 0.000 1.134 63 A HN 0.544 nan 8.150 nan 0.000 0.501 64 V N 1.794 121.733 119.914 0.042 0.000 2.841 64 V HA 0.816 4.937 4.120 0.001 0.000 0.310 64 V C -0.586 175.543 176.094 0.058 0.000 1.090 64 V CA -0.004 62.327 62.300 0.052 0.000 0.930 64 V CB 2.247 34.097 31.823 0.045 0.000 1.014 64 V HN 1.220 nan 8.190 nan 0.000 0.425 65 S N 4.939 120.689 115.700 0.082 0.000 2.548 65 S HA 0.696 5.167 4.470 0.001 0.000 0.276 65 S C -0.969 173.723 174.600 0.154 0.000 1.129 65 S CA -0.456 57.797 58.200 0.089 0.000 0.931 65 S CB 1.208 64.439 63.200 0.051 0.000 1.068 65 S HN 1.029 nan 8.310 nan 0.000 0.480 66 C N 3.282 122.651 119.300 0.116 0.000 2.355 66 C HA 1.037 5.498 4.460 0.001 0.000 0.332 66 C C 0.996 176.060 174.990 0.122 0.000 1.255 66 C CA 0.136 59.221 59.018 0.113 0.000 1.792 66 C CB -0.021 27.752 27.740 0.056 0.000 2.300 66 C HN 1.260 nan 8.230 nan 0.000 0.515 67 G N 3.941 112.832 108.800 0.152 0.000 2.350 67 G HA2 0.282 4.242 3.960 0.001 0.000 0.282 67 G HA3 0.282 4.242 3.960 0.001 0.000 0.282 67 G C -3.474 171.554 174.900 0.212 0.000 1.314 67 G CA -0.830 44.349 45.100 0.133 0.000 0.915 67 G HN 0.383 nan 8.290 nan 0.000 0.499 68 P HA 0.373 nan 4.420 nan 0.000 0.274 68 P C 1.200 178.585 177.300 0.142 0.000 1.264 68 P CA 0.950 64.117 63.100 0.111 0.000 0.795 68 P CB 0.412 32.132 31.700 0.032 0.000 1.064 69 A N -0.036 122.844 122.820 0.101 0.000 1.978 69 A HA -0.254 4.066 4.320 0.001 0.000 0.220 69 A C 1.956 179.483 177.584 -0.095 0.000 1.170 69 A CA 1.726 53.795 52.037 0.054 0.000 0.636 69 A CB -1.342 17.687 19.000 0.048 0.000 0.810 69 A HN 0.484 nan 8.150 nan 0.000 0.448 70 Q N -0.887 118.864 119.800 -0.082 0.000 2.297 70 Q HA -0.129 4.212 4.340 0.001 0.000 0.208 70 Q C 1.921 177.837 176.000 -0.140 0.000 0.981 70 Q CA 1.436 57.173 55.803 -0.110 0.000 0.876 70 Q CB -1.102 27.561 28.738 -0.125 0.000 0.921 70 Q HN 0.737 nan 8.270 nan 0.000 0.446 71 C N 0.423 119.612 119.300 -0.185 0.000 2.419 71 C HA -0.126 4.334 4.460 0.001 0.000 0.283 71 C C 2.199 177.029 174.990 -0.266 0.000 1.373 71 C CA 0.435 59.334 59.018 -0.198 0.000 1.781 71 C CB -0.799 26.827 27.740 -0.190 0.000 1.886 71 C HN 0.565 nan 8.230 nan 0.000 0.520 72 Q N 0.543 120.128 119.800 -0.358 0.000 2.291 72 Q HA -0.159 4.182 4.340 0.001 0.000 0.206 72 Q C 2.006 177.932 176.000 -0.123 0.000 0.976 72 Q CA 1.054 56.704 55.803 -0.255 0.000 0.875 72 Q CB -0.084 28.526 28.738 -0.213 0.000 0.927 72 Q HN 0.715 nan 8.270 nan 0.000 0.450 73 E N -0.045 120.095 120.200 -0.101 0.000 2.107 73 E HA -0.090 4.260 4.350 0.001 0.000 0.191 73 E C 1.982 178.556 176.600 -0.044 0.000 0.982 73 E CA 1.196 57.562 56.400 -0.058 0.000 0.809 73 E CB -0.442 29.231 29.700 -0.046 0.000 0.756 73 E HN 0.297 nan 8.360 nan 0.000 0.459 74 T N 2.224 116.749 114.554 -0.048 0.000 2.746 74 T HA -0.057 4.294 4.350 0.001 0.000 0.267 74 T C 2.193 176.879 174.700 -0.024 0.000 1.039 74 T CA 0.968 63.052 62.100 -0.026 0.000 1.142 74 T CB -0.226 68.632 68.868 -0.016 0.000 0.866 74 T HN 0.100 nan 8.240 nan 0.000 0.444 75 I N 0.510 121.057 120.570 -0.038 0.000 2.226 75 I HA -0.147 4.023 4.170 0.001 0.000 0.245 75 I C 2.822 178.930 176.117 -0.015 0.000 1.100 75 I CA 1.064 62.352 61.300 -0.021 0.000 1.374 75 I CB -0.279 37.705 38.000 -0.027 0.000 1.057 75 I HN 0.023 nan 8.210 nan 0.000 0.413 76 R N 0.688 121.174 120.500 -0.023 0.000 2.091 76 R HA -0.133 4.208 4.340 0.001 0.000 0.238 76 R C 2.343 178.637 176.300 -0.010 0.000 1.136 76 R CA 1.844 57.935 56.100 -0.014 0.000 0.959 76 R CB -1.148 29.141 30.300 -0.018 0.000 0.856 76 R HN 0.300 nan 8.270 nan 0.000 0.437 77 T N 0.098 114.644 114.554 -0.014 0.000 2.746 77 T HA -0.144 4.206 4.350 0.001 0.000 0.267 77 T C 1.821 176.514 174.700 -0.011 0.000 1.039 77 T CA 1.475 63.566 62.100 -0.015 0.000 1.142 77 T CB -0.407 68.448 68.868 -0.022 0.000 0.866 77 T HN 0.393 nan 8.240 nan 0.000 0.444 78 A N 1.171 123.987 122.820 -0.007 0.000 1.933 78 A HA 0.016 4.336 4.320 0.001 0.000 0.218 78 A C 2.306 179.893 177.584 0.004 0.000 1.175 78 A CA 1.155 53.192 52.037 -0.000 0.000 0.628 78 A CB -0.813 18.191 19.000 0.007 0.000 0.814 78 A HN 0.479 nan 8.150 nan 0.000 0.444 79 L N -0.899 120.327 121.223 0.004 0.000 2.046 79 L HA -0.177 4.164 4.340 0.001 0.000 0.208 79 L C 3.024 179.899 176.870 0.008 0.000 1.077 79 L CA 1.080 55.925 54.840 0.008 0.000 0.747 79 L CB -0.551 41.512 42.059 0.007 0.000 0.896 79 L HN 0.426 nan 8.230 nan 0.000 0.432 80 A N -0.607 122.216 122.820 0.005 0.000 2.067 80 A HA -0.150 4.170 4.320 0.001 0.000 0.219 80 A C 2.218 179.809 177.584 0.012 0.000 1.158 80 A CA 1.347 53.390 52.037 0.009 0.000 0.661 80 A CB -0.415 18.589 19.000 0.007 0.000 0.801 80 A HN 0.391 nan 8.150 nan 0.000 0.452 81 M N -2.049 117.556 119.600 0.008 0.000 2.506 81 M HA 0.151 4.631 4.480 0.001 0.000 0.260 81 M C 1.388 177.697 176.300 0.015 0.000 1.104 81 M CA 1.078 56.384 55.300 0.011 0.000 1.112 81 M CB 0.442 33.042 32.600 0.001 0.000 1.401 81 M HN 0.588 nan 8.290 nan 0.000 0.473 82 G N -0.221 108.588 108.800 0.014 0.000 2.370 82 G HA2 -0.009 3.951 3.960 0.001 0.000 0.174 82 G HA3 -0.009 3.951 3.960 0.001 0.000 0.174 82 G C 0.059 174.968 174.900 0.016 0.000 1.002 82 G CA -0.255 44.855 45.100 0.016 0.000 0.730 82 G HN 0.556 nan 8.290 nan 0.000 0.497 83 A N 0.554 123.384 122.820 0.015 0.000 2.462 83 A HA 0.540 4.861 4.320 0.001 0.000 0.243 83 A C 1.163 178.757 177.584 0.017 0.000 1.076 83 A CA 0.787 52.835 52.037 0.018 0.000 0.773 83 A CB 0.328 19.339 19.000 0.018 0.000 1.010 83 A HN 0.180 nan 8.150 nan 0.000 0.493 84 D N 0.766 121.177 120.400 0.018 0.000 2.123 84 D HA -0.014 4.627 4.640 0.001 0.000 0.200 84 D C 0.687 176.998 176.300 0.017 0.000 0.976 84 D CA 1.390 55.401 54.000 0.017 0.000 0.831 84 D CB 0.185 40.996 40.800 0.018 0.000 0.974 84 D HN 0.776 nan 8.370 nan 0.000 0.469 85 R N -0.887 119.625 120.500 0.020 0.000 2.710 85 R HA 0.642 4.982 4.340 0.001 0.000 0.270 85 R C -0.516 175.799 176.300 0.024 0.000 1.021 85 R CA -1.013 55.100 56.100 0.021 0.000 0.889 85 R CB 1.314 31.627 30.300 0.021 0.000 1.243 85 R HN -0.095 nan 8.270 nan 0.000 0.464 86 G N 1.176 109.991 108.800 0.026 0.000 2.473 86 G HA2 0.723 4.684 3.960 0.001 0.000 0.321 86 G HA3 0.723 4.684 3.960 0.001 0.000 0.321 86 G C -0.915 174.012 174.900 0.045 0.000 1.200 86 G CA -1.075 44.045 45.100 0.033 0.000 0.963 86 G HN 0.447 nan 8.290 nan 0.000 0.483 87 I N 0.660 121.264 120.570 0.057 0.000 2.478 87 I HA 0.253 4.423 4.170 0.001 0.000 0.287 87 I C -0.850 175.339 176.117 0.120 0.000 1.042 87 I CA -0.681 60.660 61.300 0.068 0.000 1.067 87 I CB 2.369 40.395 38.000 0.044 0.000 1.233 87 I HN 0.586 nan 8.210 nan 0.000 0.431 88 H N 6.513 125.585 119.070 0.004 0.000 2.541 88 H HA 0.476 5.032 4.556 0.001 0.000 0.316 88 H C -1.397 173.931 175.328 -0.000 0.000 1.043 88 H CA -0.742 55.308 56.048 0.003 0.000 1.232 88 H CB 1.716 31.479 29.762 0.001 0.000 1.406 88 H HN 0.318 nan 8.280 nan 0.000 0.469 89 V N 6.414 126.300 119.914 -0.046 0.000 2.304 89 V HA 0.035 4.156 4.120 0.001 0.000 0.262 89 V C 0.445 176.357 176.094 -0.304 0.000 1.061 89 V CA -0.299 61.904 62.300 -0.162 0.000 0.872 89 V CB 0.556 32.351 31.823 -0.046 0.000 1.077 89 V HN 0.777 nan 8.190 nan 0.000 0.480 90 E N 3.842 123.717 120.200 -0.541 0.000 2.338 90 E HA 0.457 4.807 4.350 0.001 0.000 0.272 90 E C -1.204 175.297 176.600 -0.165 0.000 1.029 90 E CA -0.235 55.856 56.400 -0.516 0.000 0.872 90 E CB 1.303 30.716 29.700 -0.479 0.000 1.015 90 E HN 0.468 nan 8.360 nan 0.000 0.417 91 V N 6.419 126.299 119.914 -0.057 0.000 2.623 91 V HA 0.295 4.415 4.120 0.001 0.000 0.304 91 V C -2.370 173.730 176.094 0.010 0.000 1.054 91 V CA -1.950 60.340 62.300 -0.017 0.000 0.882 91 V CB 1.782 33.605 31.823 0.001 0.000 1.002 91 V HN 0.769 nan 8.190 nan 0.000 0.424 92 P HA 0.159 nan 4.420 nan 0.000 0.266 92 P C -2.049 175.259 177.300 0.013 0.000 1.195 92 P CA -0.912 62.193 63.100 0.008 0.000 0.768 92 P CB 0.306 32.007 31.700 0.001 0.000 0.838 93 P HA -0.327 nan 4.420 nan 0.000 0.218 93 P C 1.212 178.520 177.300 0.013 0.000 1.154 93 P CA 2.411 65.520 63.100 0.014 0.000 0.872 93 P CB -0.278 31.426 31.700 0.007 0.000 0.790 94 A N -0.359 122.467 122.820 0.010 0.000 1.873 94 A HA -0.230 4.090 4.320 0.001 0.000 0.215 94 A C 2.110 179.700 177.584 0.010 0.000 1.186 94 A CA 1.752 53.794 52.037 0.009 0.000 0.616 94 A CB -1.146 17.858 19.000 0.006 0.000 0.823 94 A HN 0.215 nan 8.150 nan 0.000 0.442 95 E N -0.278 119.926 120.200 0.008 0.000 2.208 95 E HA 0.029 4.379 4.350 0.001 0.000 0.193 95 E C 2.117 178.724 176.600 0.011 0.000 0.988 95 E CA 0.612 57.016 56.400 0.006 0.000 0.828 95 E CB -0.226 29.475 29.700 0.001 0.000 0.763 95 E HN 0.607 nan 8.360 nan 0.000 0.478 96 A N 1.383 124.213 122.820 0.017 0.000 2.070 96 A HA -0.211 4.109 4.320 0.001 0.000 0.220 96 A C 2.001 179.601 177.584 0.027 0.000 1.159 96 A CA 1.373 53.424 52.037 0.025 0.000 0.656 96 A CB -0.271 18.748 19.000 0.032 0.000 0.800 96 A HN 0.103 nan 8.150 nan 0.000 0.453 97 E N 0.076 120.290 120.200 0.023 0.000 2.204 97 E HA -0.096 4.254 4.350 0.001 0.000 0.194 97 E C 1.854 178.467 176.600 0.022 0.000 0.989 97 E CA 1.078 57.492 56.400 0.024 0.000 0.824 97 E CB -0.144 29.569 29.700 0.021 0.000 0.756 97 E HN 0.553 nan 8.360 nan 0.000 0.477 98 R N -0.707 119.804 120.500 0.018 0.000 2.359 98 R HA 0.212 4.552 4.340 0.001 0.000 0.231 98 R C -0.385 175.925 176.300 0.018 0.000 0.913 98 R CA -0.365 55.744 56.100 0.016 0.000 1.075 98 R CB 0.204 30.511 30.300 0.011 0.000 1.087 98 R HN 0.077 nan 8.270 nan 0.000 0.515 99 L N 0.857 122.093 121.223 0.021 0.000 2.361 99 L HA 0.330 4.670 4.340 0.001 0.000 0.278 99 L C 0.260 177.147 176.870 0.028 0.000 1.113 99 L CA 0.446 55.300 54.840 0.023 0.000 0.849 99 L CB 1.007 43.082 42.059 0.027 0.000 1.155 99 L HN 0.071 nan 8.230 nan 0.000 0.452 100 G N 4.052 112.868 108.800 0.028 0.000 2.816 100 G HA2 0.476 4.436 3.960 0.001 0.000 0.288 100 G HA3 0.476 4.436 3.960 0.001 0.000 0.288 100 G C -2.337 172.585 174.900 0.037 0.000 1.334 100 G CA -0.921 44.197 45.100 0.030 0.000 0.978 100 G HN 0.416 nan 8.290 nan 0.000 0.493 101 P HA -0.135 nan 4.420 nan 0.000 0.217 101 P C 2.126 179.468 177.300 0.069 0.000 1.151 101 P CA 0.658 63.783 63.100 0.041 0.000 0.849 101 P CB 0.206 31.921 31.700 0.024 0.000 0.787 102 L N -0.555 120.715 121.223 0.078 0.000 2.012 102 L HA -0.229 4.111 4.340 0.001 0.000 0.210 102 L C 2.105 179.053 176.870 0.129 0.000 1.073 102 L CA 2.075 56.999 54.840 0.140 0.000 0.748 102 L CB -1.418 40.708 42.059 0.112 0.000 0.891 102 L HN -0.124 nan 8.230 nan 0.000 0.431 103 Q N -0.923 118.915 119.800 0.062 0.000 2.046 103 Q HA -0.093 4.247 4.340 0.001 0.000 0.200 103 Q C 2.211 178.224 176.000 0.021 0.000 0.975 103 Q CA 1.932 57.748 55.803 0.023 0.000 0.836 103 Q CB -0.644 28.101 28.738 0.011 0.000 0.896 103 Q HN 0.429 nan 8.270 nan 0.000 0.428 104 V N 0.831 120.768 119.914 0.038 0.000 2.343 104 V HA -0.287 3.833 4.120 0.001 0.000 0.247 104 V C 2.166 178.288 176.094 0.046 0.000 1.051 104 V CA 1.785 64.107 62.300 0.035 0.000 1.036 104 V CB -1.211 30.637 31.823 0.040 0.000 0.654 104 V HN 0.426 nan 8.190 nan 0.000 0.451 105 A N -0.117 122.761 122.820 0.097 0.000 1.902 105 A HA -0.230 4.091 4.320 0.001 0.000 0.217 105 A C 2.401 180.068 177.584 0.138 0.000 1.181 105 A CA 1.851 53.988 52.037 0.166 0.000 0.623 105 A CB -0.500 18.668 19.000 0.280 0.000 0.818 105 A HN 0.497 nan 8.150 nan 0.000 0.443 106 R N -0.812 119.696 120.500 0.013 0.000 2.081 106 R HA -0.083 4.257 4.340 0.001 0.000 0.235 106 R C 2.064 178.270 176.300 -0.157 0.000 1.131 106 R CA 1.461 57.402 56.100 -0.265 0.000 0.960 106 R CB -0.562 29.544 30.300 -0.323 0.000 0.856 106 R HN 0.394 nan 8.270 nan 0.000 0.436 107 V N 1.554 121.420 119.914 -0.081 0.000 2.343 107 V HA -0.228 3.893 4.120 0.001 0.000 0.247 107 V C 2.274 178.336 176.094 -0.054 0.000 1.051 107 V CA 1.652 63.914 62.300 -0.063 0.000 1.036 107 V CB -0.358 31.445 31.823 -0.034 0.000 0.654 107 V HN 0.292 nan 8.190 nan 0.000 0.451 108 L N -0.078 121.125 121.223 -0.034 0.000 2.141 108 L HA -0.116 4.225 4.340 0.001 0.000 0.209 108 L C 2.697 179.517 176.870 -0.084 0.000 1.094 108 L CA 1.349 56.167 54.840 -0.036 0.000 0.763 108 L CB -0.812 41.239 42.059 -0.012 0.000 0.908 108 L HN 0.355 nan 8.230 nan 0.000 0.437 109 A N 0.116 122.874 122.820 -0.103 0.000 1.902 109 A HA -0.169 4.151 4.320 0.001 0.000 0.217 109 A C 2.319 179.806 177.584 -0.163 0.000 1.181 109 A CA 1.378 53.312 52.037 -0.173 0.000 0.623 109 A CB -0.231 18.684 19.000 -0.141 0.000 0.818 109 A HN 0.189 nan 8.150 nan 0.000 0.443 110 K N 0.079 120.402 120.400 -0.129 0.000 2.057 110 K HA 0.017 4.338 4.320 0.001 0.000 0.206 110 K C 1.875 178.437 176.600 -0.064 0.000 1.050 110 K CA 1.002 57.230 56.287 -0.097 0.000 0.935 110 K CB -0.864 31.580 32.500 -0.093 0.000 0.715 110 K HN 0.536 nan 8.250 nan 0.000 0.439 111 L N 0.695 121.886 121.223 -0.055 0.000 2.083 111 L HA -0.141 4.199 4.340 0.001 0.000 0.209 111 L C 2.522 179.387 176.870 -0.009 0.000 1.083 111 L CA 1.069 55.894 54.840 -0.025 0.000 0.752 111 L CB -0.600 41.451 42.059 -0.014 0.000 0.899 111 L HN 0.111 nan 8.230 nan 0.000 0.433 112 A N 0.946 123.743 122.820 -0.039 0.000 1.865 112 A HA -0.244 4.077 4.320 0.001 0.000 0.217 112 A C 2.179 179.803 177.584 0.067 0.000 1.191 112 A CA 1.957 53.993 52.037 -0.002 0.000 0.623 112 A CB -0.529 18.356 19.000 -0.192 0.000 0.826 112 A HN 0.631 nan 8.150 nan 0.000 0.444 113 E N -0.242 119.967 120.200 0.015 0.000 2.152 113 E HA -0.165 4.185 4.350 0.001 0.000 0.192 113 E C 1.986 178.616 176.600 0.050 0.000 0.983 113 E CA 1.165 57.605 56.400 0.066 0.000 0.818 113 E CB -0.324 29.398 29.700 0.036 0.000 0.758 113 E HN 0.654 nan 8.360 nan 0.000 0.467 114 K N 0.897 121.309 120.400 0.021 0.000 2.025 114 K HA -0.141 4.180 4.320 0.001 0.000 0.207 114 K C 1.815 178.433 176.600 0.030 0.000 1.049 114 K CA 1.395 57.692 56.287 0.017 0.000 0.933 114 K CB 0.176 32.676 32.500 0.001 0.000 0.714 114 K HN -0.018 nan 8.250 nan 0.000 0.438 115 E N 0.809 121.032 120.200 0.039 0.000 2.481 115 E HA -0.034 4.316 4.350 0.001 0.000 0.195 115 E C -0.329 176.309 176.600 0.063 0.000 1.047 115 E CA 0.352 56.779 56.400 0.046 0.000 0.867 115 E CB 0.231 29.959 29.700 0.046 0.000 0.858 115 E HN 0.254 nan 8.360 nan 0.000 0.513 116 K N 0.210 120.661 120.400 0.085 0.000 3.244 116 K HA -0.145 4.175 4.320 0.001 0.000 0.270 116 K C 0.117 176.782 176.600 0.108 0.000 1.016 116 K CA 0.478 56.825 56.287 0.101 0.000 0.754 116 K CB -2.164 30.374 32.500 0.064 0.000 1.326 116 K HN 0.111 nan 8.250 nan 0.000 0.465 117 V N -2.662 117.349 119.914 0.162 0.000 2.904 117 V HA 0.245 4.366 4.120 0.001 0.000 0.305 117 V C 1.034 177.219 176.094 0.151 0.000 1.067 117 V CA -0.218 62.173 62.300 0.153 0.000 1.044 117 V CB 1.627 33.555 31.823 0.175 0.000 1.050 117 V HN 0.224 nan 8.190 nan 0.000 0.475 118 D N 1.037 121.463 120.400 0.044 0.000 2.392 118 D HA 0.263 4.903 4.640 0.001 0.000 0.206 118 D C -0.178 176.055 176.300 -0.111 0.000 1.046 118 D CA 0.584 54.522 54.000 -0.104 0.000 0.865 118 D CB 1.450 42.195 40.800 -0.092 0.000 0.969 118 D HN 0.439 nan 8.370 nan 0.000 0.509 119 L N 0.974 122.230 121.223 0.056 0.000 2.493 119 L HA 0.313 4.653 4.340 0.001 0.000 0.265 119 L C -1.611 175.369 176.870 0.184 0.000 0.954 119 L CA -0.759 54.142 54.840 0.102 0.000 0.844 119 L CB 2.390 44.473 42.059 0.039 0.000 1.302 119 L HN -0.354 nan 8.230 nan 0.000 0.405 120 V N 5.793 125.846 119.914 0.232 0.000 2.417 120 V HA 0.524 4.645 4.120 0.001 0.000 0.291 120 V C -0.229 175.931 176.094 0.110 0.000 1.024 120 V CA -0.518 61.881 62.300 0.165 0.000 0.861 120 V CB 1.534 33.456 31.823 0.164 0.000 0.985 120 V HN 0.597 nan 8.190 nan 0.000 0.436 121 L N 6.146 127.418 121.223 0.081 0.000 2.313 121 L HA 0.665 5.006 4.340 0.001 0.000 0.283 121 L C -0.938 175.968 176.870 0.060 0.000 1.013 121 L CA -0.400 54.479 54.840 0.065 0.000 0.816 121 L CB 1.691 43.785 42.059 0.058 0.000 1.236 121 L HN 0.473 nan 8.230 nan 0.000 0.419 122 L N 1.890 123.147 121.223 0.057 0.000 2.283 122 L HA 0.748 5.088 4.340 0.001 0.000 0.259 122 L C 0.562 177.477 176.870 0.075 0.000 1.027 122 L CA -0.341 54.535 54.840 0.058 0.000 0.828 122 L CB 1.477 43.562 42.059 0.043 0.000 1.380 122 L HN 0.489 nan 8.230 nan 0.000 0.425 123 G N -0.555 108.302 108.800 0.094 0.000 2.599 123 G HA2 0.343 4.304 3.960 0.001 0.000 0.264 123 G HA3 0.343 4.304 3.960 0.001 0.000 0.264 123 G C 0.453 175.374 174.900 0.035 0.000 1.200 123 G CA -0.173 45.012 45.100 0.141 0.000 0.896 123 G HN 0.841 nan 8.290 nan 0.000 0.536 124 K N -1.513 118.846 120.400 -0.068 0.000 2.365 124 K HA 0.071 4.392 4.320 0.001 0.000 0.197 124 K C 0.691 177.132 176.600 -0.265 0.000 1.042 124 K CA 0.839 57.059 56.287 -0.111 0.000 0.987 124 K CB 0.005 32.483 32.500 -0.037 0.000 0.779 124 K HN 0.663 nan 8.250 nan 0.000 0.484 125 Q N -0.534 118.970 119.800 -0.494 0.000 2.594 125 Q HA 0.500 4.840 4.340 0.001 0.000 0.278 125 Q C -1.923 174.001 176.000 -0.128 0.000 0.961 125 Q CA -1.022 54.594 55.803 -0.310 0.000 0.844 125 Q CB 1.335 29.863 28.738 -0.350 0.000 1.475 125 Q HN 0.074 nan 8.270 nan 0.000 0.389 126 A N 2.414 125.230 122.820 -0.007 0.000 2.320 126 A HA 0.466 4.787 4.320 0.001 0.000 0.287 126 A C 0.944 178.586 177.584 0.097 0.000 1.181 126 A CA -0.758 51.329 52.037 0.084 0.000 0.831 126 A CB -0.250 18.787 19.000 0.061 0.000 1.102 126 A HN 0.886 nan 8.150 nan 0.000 0.513 127 I N -0.207 120.459 120.570 0.160 0.000 2.850 127 I HA -0.123 4.048 4.170 0.001 0.000 0.266 127 I C 1.039 177.204 176.117 0.081 0.000 1.257 127 I CA 1.602 62.987 61.300 0.142 0.000 1.465 127 I CB -0.461 37.636 38.000 0.161 0.000 1.091 127 I HN 0.626 nan 8.210 nan 0.000 0.467 128 D N 2.035 122.473 120.400 0.062 0.000 2.320 128 D HA -0.192 4.449 4.640 0.001 0.000 0.228 128 D C 1.622 177.941 176.300 0.032 0.000 0.978 128 D CA 1.364 55.387 54.000 0.039 0.000 0.905 128 D CB -0.907 39.913 40.800 0.033 0.000 1.051 128 D HN 0.557 nan 8.370 nan 0.000 0.471 129 D N -0.352 120.067 120.400 0.031 0.000 2.317 129 D HA -0.100 4.541 4.640 0.001 0.000 0.211 129 D C 0.097 176.405 176.300 0.012 0.000 0.966 129 D CA 0.353 54.366 54.000 0.021 0.000 0.876 129 D CB -0.561 40.253 40.800 0.022 0.000 0.927 129 D HN 0.016 nan 8.370 nan 0.000 0.519 130 D N -1.116 119.291 120.400 0.011 0.000 2.737 130 D HA -0.199 4.442 4.640 0.001 0.000 0.233 130 D C 0.682 176.967 176.300 -0.024 0.000 1.155 130 D CA 0.515 54.510 54.000 -0.008 0.000 0.667 130 D CB -1.461 39.338 40.800 -0.002 0.000 1.060 130 D HN 0.383 nan 8.370 nan 0.000 0.427 131 C N -0.275 119.015 119.300 -0.018 0.000 2.522 131 C HA 0.020 4.480 4.460 0.001 0.000 0.280 131 C C 1.566 176.541 174.990 -0.024 0.000 1.303 131 C CA 0.783 59.792 59.018 -0.015 0.000 1.709 131 C CB -1.043 26.695 27.740 -0.003 0.000 2.071 131 C HN 0.759 nan 8.230 nan 0.000 0.492 132 N N -0.341 118.337 118.700 -0.036 0.000 2.726 132 N HA -0.214 4.526 4.740 0.001 0.000 0.253 132 N C 0.369 175.888 175.510 0.015 0.000 1.059 132 N CA 0.337 53.376 53.050 -0.019 0.000 0.701 132 N CB -0.453 38.016 38.487 -0.029 0.000 0.899 132 N HN 0.705 nan 8.380 nan 0.000 0.548 133 Q N -2.022 117.778 119.800 0.001 0.000 2.445 133 Q HA 0.075 4.415 4.340 0.001 0.000 0.257 133 Q C 1.550 177.538 176.000 -0.019 0.000 0.806 133 Q CA 0.525 56.323 55.803 -0.009 0.000 0.987 133 Q CB 0.106 28.837 28.738 -0.012 0.000 1.248 133 Q HN 0.362 nan 8.270 nan 0.000 0.542 134 T N 0.997 115.548 114.554 -0.004 0.000 2.635 134 T HA -0.200 4.150 4.350 0.001 0.000 0.267 134 T C 1.792 176.487 174.700 -0.008 0.000 1.040 134 T CA 1.742 63.845 62.100 0.005 0.000 1.156 134 T CB -0.712 68.168 68.868 0.020 0.000 0.863 134 T HN 0.528 nan 8.240 nan 0.000 0.430 135 G N 0.956 109.749 108.800 -0.011 0.000 2.446 135 G HA2 -0.267 3.694 3.960 0.001 0.000 0.217 135 G HA3 -0.267 3.694 3.960 0.001 0.000 0.217 135 G C 1.559 176.430 174.900 -0.048 0.000 1.168 135 G CA 1.031 46.119 45.100 -0.020 0.000 0.771 135 G HN 0.446 nan 8.290 nan 0.000 0.551 136 Q N -0.210 119.549 119.800 -0.068 0.000 2.124 136 Q HA 0.075 4.416 4.340 0.001 0.000 0.202 136 Q C 2.663 178.580 176.000 -0.139 0.000 0.977 136 Q CA 1.363 57.109 55.803 -0.096 0.000 0.850 136 Q CB -0.271 28.414 28.738 -0.088 0.000 0.901 136 Q HN 0.501 nan 8.270 nan 0.000 0.429 137 M N -0.589 118.916 119.600 -0.159 0.000 2.175 137 M HA -0.121 4.359 4.480 0.001 0.000 0.264 137 M C 1.930 178.051 176.300 -0.299 0.000 1.063 137 M CA 1.398 56.511 55.300 -0.311 0.000 1.119 137 M CB -0.349 32.106 32.600 -0.241 0.000 1.377 137 M HN 0.192 nan 8.290 nan 0.000 0.415 138 T N 1.122 115.627 114.554 -0.083 0.000 2.708 138 T HA -0.114 4.236 4.350 0.001 0.000 0.266 138 T C 1.954 176.596 174.700 -0.095 0.000 1.037 138 T CA 1.628 63.723 62.100 -0.008 0.000 1.146 138 T CB -0.370 68.486 68.868 -0.020 0.000 0.865 138 T HN 0.493 nan 8.240 nan 0.000 0.435 139 A N 1.440 124.206 122.820 -0.089 0.000 1.902 139 A HA 0.088 4.408 4.320 0.001 0.000 0.217 139 A C 2.646 180.186 177.584 -0.073 0.000 1.181 139 A CA 1.921 53.931 52.037 -0.046 0.000 0.623 139 A CB -1.405 17.600 19.000 0.008 0.000 0.818 139 A HN 0.517 nan 8.150 nan 0.000 0.443 140 G N -1.319 107.391 108.800 -0.149 0.000 2.418 140 G HA2 -0.142 3.818 3.960 0.001 0.000 0.217 140 G HA3 -0.142 3.818 3.960 0.001 0.000 0.217 140 G C 1.312 176.134 174.900 -0.130 0.000 1.158 140 G CA 1.088 46.082 45.100 -0.178 0.000 0.771 140 G HN 0.379 nan 8.290 nan 0.000 0.545 141 F N 0.601 120.490 119.950 -0.102 0.000 2.146 141 F HA 0.140 4.668 4.527 0.001 0.000 0.298 141 F C 2.523 178.219 175.800 -0.173 0.000 1.096 141 F CA 0.499 58.427 58.000 -0.120 0.000 1.275 141 F CB -0.471 38.451 39.000 -0.130 0.000 1.008 141 F HN 0.027 nan 8.300 nan 0.000 0.480 142 L N -0.914 120.244 121.223 -0.108 0.000 2.492 142 L HA -0.042 4.298 4.340 0.001 0.000 0.223 142 L C 0.139 176.917 176.870 -0.152 0.000 1.132 142 L CA 0.473 55.075 54.840 -0.397 0.000 0.850 142 L CB -0.435 40.907 42.059 -1.195 0.000 0.966 142 L HN 0.060 nan 8.230 nan 0.000 0.454 143 D N -1.189 119.213 120.400 0.003 0.000 2.746 143 D HA -0.189 4.451 4.640 0.001 0.000 0.236 143 D C -0.917 175.583 176.300 0.334 0.000 1.129 143 D CA 0.538 54.617 54.000 0.131 0.000 0.691 143 D CB -0.540 40.332 40.800 0.121 0.000 1.077 143 D HN 0.111 nan 8.370 nan 0.000 0.432 144 W N 0.084 121.384 121.300 0.000 0.000 2.647 144 W HA 0.517 5.178 4.660 0.000 0.000 0.353 144 W C -1.837 174.670 176.519 -0.022 0.000 1.080 144 W CA -2.314 55.027 57.345 -0.007 0.000 1.208 144 W CB -0.178 29.281 29.460 -0.001 0.000 1.396 144 W HN -0.139 nan 8.180 nan 0.000 0.573 145 P HA 0.139 nan 4.420 nan 0.000 0.274 145 P C -1.166 176.179 177.300 0.075 0.000 1.237 145 P CA -0.184 62.961 63.100 0.076 0.000 0.793 145 P CB 1.256 32.967 31.700 0.019 0.000 0.977 146 Q N 0.072 119.881 119.800 0.014 0.000 2.365 146 Q HA 0.695 5.036 4.340 0.001 0.000 0.269 146 Q C -0.620 175.340 176.000 -0.066 0.000 1.061 146 Q CA -1.135 54.656 55.803 -0.020 0.000 0.816 146 Q CB 1.855 30.559 28.738 -0.057 0.000 1.325 146 Q HN 0.497 nan 8.270 nan 0.000 0.446 147 G N 1.968 110.724 108.800 -0.075 0.000 3.378 147 G HA2 0.398 4.358 3.960 0.001 0.000 0.332 147 G HA3 0.398 4.358 3.960 0.001 0.000 0.332 147 G C -0.275 174.526 174.900 -0.164 0.000 1.490 147 G CA -0.411 44.628 45.100 -0.102 0.000 1.068 147 G HN 0.695 nan 8.290 nan 0.000 0.492 148 T N -0.898 113.453 114.554 -0.338 0.000 2.918 148 T HA 0.499 4.850 4.350 0.001 0.000 0.283 148 T C 0.500 174.871 174.700 -0.549 0.000 1.001 148 T CA -0.562 61.181 62.100 -0.594 0.000 1.041 148 T CB 0.760 68.941 68.868 -1.145 0.000 1.028 148 T HN 1.006 nan 8.240 nan 0.000 0.511 149 F N -1.977 117.964 119.950 -0.015 0.000 3.067 149 F HA -0.126 4.402 4.527 0.001 0.000 0.279 149 F C 0.869 176.678 175.800 0.015 0.000 0.945 149 F CA -0.472 57.524 58.000 -0.006 0.000 0.948 149 F CB -2.760 36.232 39.000 -0.014 0.000 0.898 149 F HN 0.994 nan 8.300 nan 0.000 0.746 150 A N 0.358 123.249 122.820 0.117 0.000 2.450 150 A HA 0.588 4.909 4.320 0.001 0.000 0.255 150 A C 1.162 178.801 177.584 0.091 0.000 1.096 150 A CA 0.311 52.393 52.037 0.076 0.000 0.778 150 A CB 0.382 19.404 19.000 0.037 0.000 1.031 150 A HN 0.868 nan 8.150 nan 0.000 0.494 151 S N 0.418 116.162 115.700 0.074 0.000 2.603 151 S HA 0.388 4.858 4.470 0.001 0.000 0.232 151 S C 0.092 174.719 174.600 0.045 0.000 1.016 151 S CA -0.092 58.147 58.200 0.065 0.000 0.976 151 S CB 0.182 63.420 63.200 0.064 0.000 0.921 151 S HN 0.818 nan 8.310 nan 0.000 0.516 152 Q N 0.608 120.431 119.800 0.038 0.000 2.378 152 Q HA 0.607 4.947 4.340 0.001 0.000 0.262 152 Q C -2.286 173.727 176.000 0.021 0.000 0.978 152 Q CA -0.360 55.459 55.803 0.027 0.000 0.918 152 Q CB 1.956 30.708 28.738 0.023 0.000 1.415 152 Q HN 0.134 nan 8.270 nan 0.000 0.409 153 V N 2.941 122.865 119.914 0.018 0.000 2.686 153 V HA 0.795 4.916 4.120 0.001 0.000 0.306 153 V C -0.901 175.198 176.094 0.008 0.000 1.065 153 V CA -0.518 61.789 62.300 0.012 0.000 0.894 153 V CB 2.421 34.253 31.823 0.016 0.000 1.004 153 V HN 0.850 nan 8.190 nan 0.000 0.424 154 T N 5.573 120.128 114.554 0.002 0.000 2.881 154 T HA 0.532 4.883 4.350 0.001 0.000 0.291 154 T C -0.548 174.149 174.700 -0.006 0.000 0.990 154 T CA -0.375 61.725 62.100 -0.000 0.000 0.976 154 T CB 1.271 70.139 68.868 -0.000 0.000 0.970 154 T HN 0.379 nan 8.240 nan 0.000 0.438 155 L N 3.399 124.618 121.223 -0.007 0.000 2.315 155 L HA 0.333 4.674 4.340 0.001 0.000 0.283 155 L C 0.648 177.510 176.870 -0.013 0.000 1.089 155 L CA 0.008 54.840 54.840 -0.013 0.000 0.833 155 L CB 0.454 42.506 42.059 -0.012 0.000 1.170 155 L HN 0.649 nan 8.230 nan 0.000 0.442 156 E N 3.586 123.776 120.200 -0.017 0.000 2.969 156 E HA 0.322 4.672 4.350 0.001 0.000 0.213 156 E C 0.715 177.303 176.600 -0.021 0.000 1.107 156 E CA 0.100 56.490 56.400 -0.016 0.000 1.007 156 E CB 1.029 30.720 29.700 -0.015 0.000 1.326 156 E HN 0.891 nan 8.360 nan 0.000 0.432 157 G N 3.297 112.085 108.800 -0.021 0.000 2.609 157 G HA2 -0.377 3.584 3.960 0.001 0.000 0.288 157 G HA3 -0.377 3.584 3.960 0.001 0.000 0.288 157 G C 0.575 175.455 174.900 -0.033 0.000 1.211 157 G CA 0.372 45.458 45.100 -0.024 0.000 0.963 157 G HN 0.605 nan 8.290 nan 0.000 0.541 158 D N 1.714 122.091 120.400 -0.037 0.000 2.368 158 D HA 0.239 4.880 4.640 0.001 0.000 0.218 158 D C 0.676 176.940 176.300 -0.059 0.000 1.112 158 D CA 0.528 54.497 54.000 -0.051 0.000 0.834 158 D CB 0.251 41.021 40.800 -0.050 0.000 0.953 158 D HN 0.618 nan 8.370 nan 0.000 0.505 159 K N 0.044 120.415 120.400 -0.048 0.000 2.433 159 K HA 0.581 4.902 4.320 0.001 0.000 0.252 159 K C -0.912 175.664 176.600 -0.040 0.000 1.015 159 K CA -0.938 55.321 56.287 -0.048 0.000 0.860 159 K CB 2.794 35.271 32.500 -0.037 0.000 1.359 159 K HN -0.066 nan 8.250 nan 0.000 0.452 160 L N 1.479 122.679 121.223 -0.038 0.000 2.385 160 L HA 0.394 4.734 4.340 0.001 0.000 0.273 160 L C -0.694 176.163 176.870 -0.021 0.000 0.990 160 L CA -0.753 54.070 54.840 -0.028 0.000 0.821 160 L CB 1.938 43.980 42.059 -0.030 0.000 1.279 160 L HN 0.435 nan 8.230 nan 0.000 0.412 161 K N 3.505 123.897 120.400 -0.014 0.000 2.263 161 K HA 0.548 4.869 4.320 0.001 0.000 0.272 161 K C -1.558 175.039 176.600 -0.005 0.000 1.033 161 K CA -0.437 55.844 56.287 -0.010 0.000 0.884 161 K CB 1.459 33.955 32.500 -0.007 0.000 1.107 161 K HN 0.333 nan 8.250 nan 0.000 0.460 162 V N 3.986 123.896 119.914 -0.006 0.000 2.531 162 V HA 0.247 4.368 4.120 0.001 0.000 0.301 162 V C -0.502 175.594 176.094 0.003 0.000 1.034 162 V CA -0.895 61.404 62.300 -0.002 0.000 0.865 162 V CB 1.613 33.429 31.823 -0.011 0.000 0.995 162 V HN 0.773 nan 8.190 nan 0.000 0.424 163 E N 4.710 124.918 120.200 0.013 0.000 2.156 163 E HA 0.557 4.907 4.350 0.001 0.000 0.279 163 E C -0.574 176.047 176.600 0.035 0.000 0.965 163 E CA -0.673 55.740 56.400 0.021 0.000 0.789 163 E CB 0.988 30.702 29.700 0.022 0.000 1.098 163 E HN 0.609 nan 8.360 nan 0.000 0.397 164 R N 2.997 123.522 120.500 0.043 0.000 2.732 164 R HA 0.327 4.668 4.340 0.001 0.000 0.278 164 R C -0.653 175.710 176.300 0.105 0.000 0.976 164 R CA -1.010 55.136 56.100 0.077 0.000 0.963 164 R CB 1.232 31.569 30.300 0.063 0.000 1.150 164 R HN 0.432 nan 8.270 nan 0.000 0.478 165 E N 3.497 123.789 120.200 0.154 0.000 2.180 165 E HA 0.182 4.532 4.350 0.001 0.000 0.283 165 E C 0.094 176.784 176.600 0.150 0.000 1.061 165 E CA -0.046 56.428 56.400 0.124 0.000 0.861 165 E CB 0.731 30.492 29.700 0.101 0.000 1.056 165 E HN 0.465 nan 8.360 nan 0.000 0.407 166 I N -1.511 119.116 120.570 0.096 0.000 3.170 166 I HA 0.387 4.557 4.170 0.001 0.000 0.312 166 I C 0.646 176.783 176.117 0.034 0.000 1.085 166 I CA -0.955 60.398 61.300 0.088 0.000 0.999 166 I CB 1.353 39.404 38.000 0.086 0.000 1.233 166 I HN -0.022 nan 8.210 nan 0.000 0.467 167 D N 2.536 122.949 120.400 0.021 0.000 2.123 167 D HA -0.085 4.555 4.640 0.001 0.000 0.196 167 D C 1.767 178.070 176.300 0.005 0.000 0.992 167 D CA 2.069 56.069 54.000 -0.001 0.000 0.833 167 D CB -0.094 40.705 40.800 -0.002 0.000 0.954 167 D HN 0.875 nan 8.370 nan 0.000 0.455 168 G N -1.328 107.480 108.800 0.012 0.000 3.434 168 G HA2 0.485 4.445 3.960 0.001 0.000 0.258 168 G HA3 0.485 4.445 3.960 0.001 0.000 0.258 168 G C 0.629 175.537 174.900 0.014 0.000 1.128 168 G CA 0.415 45.522 45.100 0.011 0.000 0.792 168 G HN 0.557 nan 8.290 nan 0.000 0.539 169 G N -0.472 108.339 108.800 0.019 0.000 2.470 169 G HA2 0.180 4.140 3.960 0.001 0.000 0.145 169 G HA3 0.180 4.140 3.960 0.001 0.000 0.145 169 G C -1.346 173.572 174.900 0.030 0.000 1.223 169 G CA -0.797 44.316 45.100 0.021 0.000 1.058 169 G HN 0.332 nan 8.290 nan 0.000 0.469 170 L N 0.449 121.689 121.223 0.029 0.000 2.301 170 L HA 0.870 5.211 4.340 0.001 0.000 0.264 170 L C -0.392 176.497 176.870 0.031 0.000 1.016 170 L CA -0.778 54.083 54.840 0.035 0.000 0.821 170 L CB 2.373 44.450 42.059 0.029 0.000 1.346 170 L HN 0.801 nan 8.230 nan 0.000 0.429 171 E N 0.136 120.356 120.200 0.033 0.000 2.321 171 E HA 0.411 4.761 4.350 0.001 0.000 0.278 171 E C -1.768 174.843 176.600 0.018 0.000 0.902 171 E CA -0.491 55.924 56.400 0.024 0.000 0.758 171 E CB 2.302 32.019 29.700 0.028 0.000 1.213 171 E HN 0.536 nan 8.360 nan 0.000 0.426 172 T N 4.545 119.105 114.554 0.010 0.000 2.779 172 T HA 0.495 4.845 4.350 0.001 0.000 0.280 172 T C -0.266 174.433 174.700 -0.001 0.000 0.987 172 T CA -0.460 61.643 62.100 0.005 0.000 0.966 172 T CB 0.416 69.287 68.868 0.005 0.000 0.933 172 T HN 0.313 nan 8.240 nan 0.000 0.442 173 L N 2.286 123.505 121.223 -0.006 0.000 2.303 173 L HA 0.717 5.057 4.340 0.001 0.000 0.266 173 L C 0.089 176.951 176.870 -0.014 0.000 1.011 173 L CA -1.278 53.554 54.840 -0.012 0.000 0.818 173 L CB 2.043 44.090 42.059 -0.020 0.000 1.326 173 L HN 0.387 nan 8.230 nan 0.000 0.435 174 R N 1.286 121.776 120.500 -0.016 0.000 2.513 174 R HA 0.708 5.049 4.340 0.001 0.000 0.301 174 R C -1.732 174.553 176.300 -0.024 0.000 0.968 174 R CA -0.472 55.617 56.100 -0.019 0.000 0.872 174 R CB 1.271 31.561 30.300 -0.017 0.000 1.177 174 R HN 0.538 nan 8.270 nan 0.000 0.444 175 L N 3.353 124.558 121.223 -0.030 0.000 2.346 175 L HA 0.531 4.871 4.340 0.001 0.000 0.274 175 L C -0.208 176.631 176.870 -0.052 0.000 1.007 175 L CA -1.030 53.788 54.840 -0.037 0.000 0.818 175 L CB 2.000 44.038 42.059 -0.034 0.000 1.284 175 L HN 0.463 nan 8.230 nan 0.000 0.424 176 K N 2.337 122.700 120.400 -0.062 0.000 2.276 176 K HA 0.454 4.775 4.320 0.001 0.000 0.283 176 K C -0.652 175.865 176.600 -0.138 0.000 1.044 176 K CA -0.433 55.803 56.287 -0.085 0.000 0.944 176 K CB 0.783 33.238 32.500 -0.076 0.000 1.012 176 K HN 0.464 nan 8.250 nan 0.000 0.472 177 L N 6.034 127.163 121.223 -0.157 0.000 2.436 177 L HA 0.285 4.625 4.340 0.001 0.000 0.265 177 L C -1.557 175.108 176.870 -0.343 0.000 1.168 177 L CA -1.835 52.861 54.840 -0.239 0.000 0.815 177 L CB 0.397 42.346 42.059 -0.183 0.000 1.109 177 L HN 0.636 nan 8.230 nan 0.000 0.462 178 P HA 0.360 nan 4.420 nan 0.000 0.274 178 P C -1.200 175.644 177.300 -0.761 0.000 1.231 178 P CA -0.322 62.258 63.100 -0.867 0.000 0.790 178 P CB 1.666 32.385 31.700 -1.634 0.000 0.951 179 A N 1.589 124.201 122.820 -0.347 0.000 2.569 179 A HA 0.654 4.975 4.320 0.001 0.000 0.290 179 A C -1.274 176.451 177.584 0.236 0.000 1.136 179 A CA -0.637 51.402 52.037 0.002 0.000 0.710 179 A CB 1.466 20.447 19.000 -0.031 0.000 1.303 179 A HN 0.299 nan 8.150 nan 0.000 0.413 180 V N 0.554 120.607 119.914 0.232 0.000 2.495 180 V HA 0.604 4.725 4.120 0.001 0.000 0.298 180 V C -0.704 175.432 176.094 0.070 0.000 1.031 180 V CA -0.418 61.989 62.300 0.178 0.000 0.871 180 V CB 1.434 33.349 31.823 0.153 0.000 0.988 180 V HN 0.694 nan 8.190 nan 0.000 0.432 181 V N 3.600 123.545 119.914 0.052 0.000 2.656 181 V HA 0.668 4.788 4.120 0.001 0.000 0.307 181 V C 0.004 176.108 176.094 0.016 0.000 1.051 181 V CA -0.509 61.800 62.300 0.016 0.000 0.893 181 V CB 2.525 34.361 31.823 0.023 0.000 0.999 181 V HN 0.989 nan 8.190 nan 0.000 0.426 182 T N 1.518 116.067 114.554 -0.008 0.000 2.807 182 T HA 0.829 5.179 4.350 0.001 0.000 0.279 182 T C -0.260 174.479 174.700 0.065 0.000 0.993 182 T CA -0.395 61.718 62.100 0.022 0.000 0.970 182 T CB 1.656 70.523 68.868 -0.002 0.000 0.950 182 T HN 1.061 nan 8.240 nan 0.000 0.441 183 A N 2.924 125.807 122.820 0.105 0.000 2.331 183 A HA 0.593 4.913 4.320 0.001 0.000 0.283 183 A C -0.022 177.700 177.584 0.230 0.000 1.142 183 A CA -0.655 51.468 52.037 0.143 0.000 0.812 183 A CB 0.285 19.366 19.000 0.135 0.000 1.074 183 A HN 0.990 nan 8.150 nan 0.000 0.497 184 D N 1.354 121.888 120.400 0.224 0.000 2.277 184 D HA 0.400 5.040 4.640 0.001 0.000 0.250 184 D C 1.177 177.625 176.300 0.248 0.000 1.032 184 D CA -0.586 53.584 54.000 0.283 0.000 0.947 184 D CB 0.729 41.655 40.800 0.209 0.000 1.159 184 D HN 0.354 nan 8.370 nan 0.000 0.460 185 L N 1.484 122.860 121.223 0.255 0.000 2.137 185 L HA -0.177 4.163 4.340 0.001 0.000 0.213 185 L C 2.170 179.054 176.870 0.023 0.000 1.085 185 L CA 0.990 55.851 54.840 0.035 0.000 0.760 185 L CB -0.361 41.670 42.059 -0.047 0.000 0.893 185 L HN 0.440 nan 8.230 nan 0.000 0.434 186 R N -0.496 120.038 120.500 0.056 0.000 2.236 186 R HA -0.059 4.281 4.340 0.001 0.000 0.208 186 R C 2.024 178.347 176.300 0.038 0.000 1.036 186 R CA 0.500 56.623 56.100 0.037 0.000 1.001 186 R CB -0.575 29.752 30.300 0.045 0.000 0.896 186 R HN 0.259 nan 8.270 nan 0.000 0.464 187 L N 1.651 122.906 121.223 0.053 0.000 2.043 187 L HA -0.170 4.170 4.340 0.001 0.000 0.212 187 L C 0.678 177.567 176.870 0.031 0.000 1.075 187 L CA 1.761 56.630 54.840 0.047 0.000 0.752 187 L CB -0.217 41.878 42.059 0.061 0.000 0.891 187 L HN 0.409 nan 8.230 nan 0.000 0.432 188 N N -2.802 115.912 118.700 0.022 0.000 3.356 188 N HA 0.074 4.814 4.740 0.001 0.000 0.246 188 N C -1.360 174.153 175.510 0.006 0.000 1.480 188 N CA -0.818 52.241 53.050 0.016 0.000 0.877 188 N CB 0.752 39.251 38.487 0.020 0.000 1.431 188 N HN -0.041 nan 8.380 nan 0.000 0.500 189 E N 0.646 120.854 120.200 0.013 0.000 2.092 189 E HA 0.380 4.731 4.350 0.001 0.000 0.271 189 E C -2.456 174.165 176.600 0.035 0.000 0.919 189 E CA -1.737 54.675 56.400 0.020 0.000 0.760 189 E CB 1.547 31.266 29.700 0.032 0.000 1.106 189 E HN 0.291 nan 8.360 nan 0.000 0.408 190 P HA -0.032 nan 4.420 nan 0.000 0.268 190 P C -0.534 176.817 177.300 0.085 0.000 1.205 190 P CA 0.032 63.141 63.100 0.015 0.000 0.771 190 P CB 0.463 32.132 31.700 -0.051 0.000 0.858 191 R N 2.085 122.637 120.500 0.088 0.000 2.583 191 R HA 0.366 4.707 4.340 0.001 0.000 0.268 191 R C -0.839 175.586 176.300 0.208 0.000 1.101 191 R CA -0.386 55.823 56.100 0.182 0.000 1.180 191 R CB 0.193 30.558 30.300 0.107 0.000 1.128 191 R HN 0.273 nan 8.270 nan 0.000 0.568 192 Y N -0.109 120.192 120.300 0.001 0.000 2.330 192 Y HA 0.399 4.949 4.550 0.000 0.000 0.336 192 Y C 0.346 176.249 175.900 0.005 0.000 1.036 192 Y CA -1.016 57.086 58.100 0.004 0.000 1.125 192 Y CB 1.806 40.269 38.460 0.004 0.000 1.194 192 Y HN 0.819 nan 8.280 nan 0.000 0.469 193 A N 2.701 125.579 122.820 0.097 0.000 2.450 193 A HA 0.448 4.768 4.320 0.001 0.000 0.255 193 A C 0.453 178.084 177.584 0.079 0.000 1.096 193 A CA -0.351 51.724 52.037 0.064 0.000 0.778 193 A CB -0.437 18.578 19.000 0.025 0.000 1.031 193 A HN 0.766 nan 8.150 nan 0.000 0.494 194 T N 1.215 115.807 114.554 0.063 0.000 2.899 194 T HA 0.443 4.793 4.350 0.001 0.000 0.284 194 T C 1.448 176.170 174.700 0.037 0.000 1.004 194 T CA -0.692 61.439 62.100 0.052 0.000 1.043 194 T CB 0.511 69.403 68.868 0.040 0.000 1.013 194 T HN 0.413 nan 8.240 nan 0.000 0.518 195 L N 1.204 122.447 121.223 0.032 0.000 1.978 195 L HA -0.089 4.251 4.340 0.001 0.000 0.218 195 L C -0.069 176.812 176.870 0.019 0.000 1.075 195 L CA 1.717 56.571 54.840 0.024 0.000 0.767 195 L CB -1.960 40.111 42.059 0.020 0.000 0.890 195 L HN 0.601 nan 8.230 nan 0.000 0.434 196 P HA -0.174 nan 4.420 nan 0.000 0.218 196 P C 0.773 178.082 177.300 0.015 0.000 1.148 196 P CA 1.747 64.855 63.100 0.014 0.000 0.822 196 P CB -0.235 31.473 31.700 0.014 0.000 0.784 197 N N -0.315 118.396 118.700 0.018 0.000 2.300 197 N HA 0.012 4.752 4.740 0.001 0.000 0.179 197 N C 1.942 177.461 175.510 0.015 0.000 1.016 197 N CA 0.454 53.514 53.050 0.018 0.000 0.876 197 N CB -0.364 38.136 38.487 0.022 0.000 0.979 197 N HN 0.129 nan 8.380 nan 0.000 0.432 198 I N 0.415 120.995 120.570 0.016 0.000 2.546 198 I HA -0.175 3.995 4.170 0.001 0.000 0.255 198 I C 1.750 177.872 176.117 0.009 0.000 1.163 198 I CA 0.643 61.950 61.300 0.012 0.000 1.457 198 I CB -0.063 37.946 38.000 0.014 0.000 1.092 198 I HN 0.212 nan 8.210 nan 0.000 0.434 199 M N 0.585 120.191 119.600 0.010 0.000 2.123 199 M HA -0.111 4.370 4.480 0.001 0.000 0.263 199 M C 2.187 178.492 176.300 0.008 0.000 1.069 199 M CA 1.692 56.997 55.300 0.009 0.000 1.133 199 M CB -1.124 31.481 32.600 0.009 0.000 1.356 199 M HN 0.097 nan 8.290 nan 0.000 0.415 200 K N 0.421 120.827 120.400 0.009 0.000 2.209 200 K HA -0.017 4.303 4.320 0.001 0.000 0.204 200 K C 2.012 178.617 176.600 0.008 0.000 1.048 200 K CA 1.248 57.541 56.287 0.009 0.000 0.940 200 K CB -0.300 32.206 32.500 0.010 0.000 0.729 200 K HN 0.293 nan 8.250 nan 0.000 0.451 201 A N 1.883 124.708 122.820 0.008 0.000 2.019 201 A HA -0.171 4.149 4.320 0.001 0.000 0.219 201 A C 1.717 179.304 177.584 0.005 0.000 1.164 201 A CA 1.320 53.361 52.037 0.007 0.000 0.644 201 A CB -0.210 18.794 19.000 0.005 0.000 0.805 201 A HN 0.209 nan 8.150 nan 0.000 0.449 202 K N -0.246 120.156 120.400 0.005 0.000 2.288 202 K HA -0.036 4.285 4.320 0.001 0.000 0.201 202 K C 1.620 178.223 176.600 0.005 0.000 1.048 202 K CA 0.955 57.244 56.287 0.003 0.000 0.956 202 K CB 0.015 32.517 32.500 0.003 0.000 0.746 202 K HN 0.370 nan 8.250 nan 0.000 0.461 203 K N 1.230 121.634 120.400 0.006 0.000 2.137 203 K HA 0.017 4.337 4.320 0.001 0.000 0.202 203 K C 0.331 176.936 176.600 0.008 0.000 1.052 203 K CA 0.470 56.762 56.287 0.007 0.000 0.961 203 K CB 0.103 32.608 32.500 0.007 0.000 0.741 203 K HN 0.074 nan 8.250 nan 0.000 0.452 204 K N 2.429 122.834 120.400 0.009 0.000 2.447 204 K HA -0.010 4.310 4.320 0.001 0.000 0.281 204 K C 0.049 176.656 176.600 0.011 0.000 1.031 204 K CA 0.164 56.457 56.287 0.010 0.000 1.019 204 K CB 0.419 32.925 32.500 0.011 0.000 0.918 204 K HN -0.220 nan 8.250 nan 0.000 0.476 205 K N 3.298 123.705 120.400 0.013 0.000 2.143 205 K HA 0.303 4.624 4.320 0.001 0.000 0.272 205 K C -0.542 176.070 176.600 0.020 0.000 1.001 205 K CA -0.320 55.977 56.287 0.015 0.000 0.915 205 K CB 0.682 33.191 32.500 0.015 0.000 1.047 205 K HN 0.416 nan 8.250 nan 0.000 0.458 206 I N 2.886 123.471 120.570 0.025 0.000 2.353 206 I HA 0.195 4.366 4.170 0.001 0.000 0.293 206 I C 0.283 176.427 176.117 0.045 0.000 0.992 206 I CA -0.665 60.657 61.300 0.038 0.000 1.268 206 I CB 1.563 39.589 38.000 0.043 0.000 1.387 206 I HN 0.605 nan 8.210 nan 0.000 0.478 207 E N 5.889 126.116 120.200 0.045 0.000 2.259 207 E HA 0.406 4.756 4.350 0.001 0.000 0.281 207 E C -1.387 175.239 176.600 0.045 0.000 1.027 207 E CA -0.557 55.864 56.400 0.035 0.000 0.838 207 E CB 1.346 31.061 29.700 0.024 0.000 1.066 207 E HN 0.349 nan 8.360 nan 0.000 0.401 208 V N 6.701 126.631 119.914 0.026 0.000 2.483 208 V HA 0.501 4.622 4.120 0.001 0.000 0.295 208 V C 0.233 176.298 176.094 -0.048 0.000 1.035 208 V CA -0.543 61.752 62.300 -0.009 0.000 0.896 208 V CB 1.025 32.850 31.823 0.003 0.000 0.986 208 V HN 0.645 nan 8.190 nan 0.000 0.447 209 I N 1.162 121.676 120.570 -0.094 0.000 3.102 209 I HA 0.715 4.885 4.170 0.001 0.000 0.310 209 I C -1.063 174.986 176.117 -0.114 0.000 1.246 209 I CA -1.203 60.049 61.300 -0.080 0.000 0.979 209 I CB 2.670 40.640 38.000 -0.051 0.000 1.267 209 I HN 0.415 nan 8.210 nan 0.000 0.451 210 K N 2.333 122.682 120.400 -0.084 0.000 2.156 210 K HA 0.492 4.812 4.320 0.001 0.000 0.250 210 K C -2.259 174.301 176.600 -0.067 0.000 0.955 210 K CA -1.520 54.717 56.287 -0.084 0.000 0.855 210 K CB 1.739 34.200 32.500 -0.065 0.000 1.101 210 K HN 0.288 nan 8.250 nan 0.000 0.434 211 P HA -0.180 nan 4.420 nan 0.000 0.216 211 P C 1.200 178.469 177.300 -0.052 0.000 1.150 211 P CA 1.232 64.299 63.100 -0.055 0.000 0.837 211 P CB 0.120 31.791 31.700 -0.049 0.000 0.786 212 G N 0.078 108.849 108.800 -0.047 0.000 2.442 212 G HA2 -0.242 3.718 3.960 0.001 0.000 0.219 212 G HA3 -0.242 3.718 3.960 0.001 0.000 0.219 212 G C 1.140 176.016 174.900 -0.041 0.000 1.141 212 G CA 0.857 45.932 45.100 -0.042 0.000 0.763 212 G HN 0.198 nan 8.290 nan 0.000 0.554 213 D N 0.018 120.393 120.400 -0.042 0.000 2.309 213 D HA -0.038 4.603 4.640 0.001 0.000 0.212 213 D C 1.973 178.250 176.300 -0.039 0.000 0.968 213 D CA 0.456 54.434 54.000 -0.037 0.000 0.882 213 D CB 0.137 40.915 40.800 -0.037 0.000 0.918 213 D HN 0.212 nan 8.370 nan 0.000 0.503 214 L N -0.741 120.454 121.223 -0.046 0.000 2.585 214 L HA 0.253 4.593 4.340 0.001 0.000 0.226 214 L C 1.568 178.403 176.870 -0.059 0.000 1.113 214 L CA 0.523 55.333 54.840 -0.051 0.000 0.876 214 L CB -0.014 42.011 42.059 -0.057 0.000 1.072 214 L HN 0.147 nan 8.230 nan 0.000 0.468 215 G N -0.545 108.221 108.800 -0.056 0.000 2.136 215 G HA2 -0.217 3.743 3.960 0.001 0.000 0.242 215 G HA3 -0.217 3.743 3.960 0.001 0.000 0.242 215 G C 0.137 174.992 174.900 -0.075 0.000 0.989 215 G CA 0.178 45.242 45.100 -0.060 0.000 0.682 215 G HN 0.098 nan 8.290 nan 0.000 0.522 216 V N 0.978 120.846 119.914 -0.077 0.000 2.407 216 V HA 0.494 4.615 4.120 0.001 0.000 0.278 216 V C 0.228 176.282 176.094 -0.068 0.000 1.037 216 V CA -0.377 61.869 62.300 -0.089 0.000 0.900 216 V CB 1.718 33.485 31.823 -0.093 0.000 0.983 216 V HN 0.388 nan 8.190 nan 0.000 0.459 217 D N 3.910 124.269 120.400 -0.068 0.000 2.249 217 D HA 0.273 4.914 4.640 0.001 0.000 0.246 217 D C 0.367 176.643 176.300 -0.041 0.000 1.114 217 D CA -0.384 53.587 54.000 -0.048 0.000 0.854 217 D CB 1.646 42.419 40.800 -0.044 0.000 1.132 217 D HN 0.255 nan 8.370 nan 0.000 0.461 218 L N 3.066 124.271 121.223 -0.029 0.000 2.612 218 L HA 0.150 4.490 4.340 0.001 0.000 0.230 218 L C 0.764 177.628 176.870 -0.011 0.000 1.140 218 L CA 0.394 55.223 54.840 -0.019 0.000 0.896 218 L CB -0.922 41.128 42.059 -0.016 0.000 1.065 218 L HN 0.449 nan 8.230 nan 0.000 0.447 219 T N -0.455 114.092 114.554 -0.012 0.000 2.934 219 T HA 0.110 4.460 4.350 0.001 0.000 0.306 219 T C 0.476 175.176 174.700 0.001 0.000 1.042 219 T CA 0.464 62.560 62.100 -0.006 0.000 1.145 219 T CB 0.444 69.307 68.868 -0.008 0.000 0.982 219 T HN 0.237 nan 8.240 nan 0.000 0.544 220 S N 1.690 117.392 115.700 0.004 0.000 2.526 220 S HA 0.435 4.905 4.470 0.001 0.000 0.293 220 S C 0.121 174.727 174.600 0.009 0.000 1.092 220 S CA -0.938 57.268 58.200 0.010 0.000 0.980 220 S CB 0.960 64.167 63.200 0.011 0.000 1.048 220 S HN 0.666 nan 8.310 nan 0.000 0.483 221 K N 3.408 123.815 120.400 0.012 0.000 2.514 221 K HA 0.369 4.690 4.320 0.001 0.000 0.207 221 K C -0.691 175.915 176.600 0.010 0.000 1.035 221 K CA -0.016 56.277 56.287 0.010 0.000 1.113 221 K CB 0.301 32.808 32.500 0.011 0.000 0.846 221 K HN 0.465 nan 8.250 nan 0.000 0.491 222 L N 0.578 121.807 121.223 0.011 0.000 2.322 222 L HA 0.360 4.701 4.340 0.001 0.000 0.281 222 L C -0.391 176.484 176.870 0.009 0.000 1.014 222 L CA -0.670 54.177 54.840 0.010 0.000 0.815 222 L CB 1.997 44.064 42.059 0.012 0.000 1.247 222 L HN -0.086 nan 8.230 nan 0.000 0.421 223 S N 1.901 117.605 115.700 0.008 0.000 2.672 223 S HA 0.441 4.912 4.470 0.001 0.000 0.291 223 S C -0.696 173.908 174.600 0.008 0.000 1.145 223 S CA -0.480 57.725 58.200 0.008 0.000 1.013 223 S CB 1.570 64.774 63.200 0.007 0.000 1.017 223 S HN 0.236 nan 8.310 nan 0.000 0.487 224 V N 7.109 127.028 119.914 0.009 0.000 2.439 224 V HA 0.136 4.257 4.120 0.001 0.000 0.271 224 V C 1.180 177.279 176.094 0.007 0.000 1.040 224 V CA -0.071 62.234 62.300 0.008 0.000 1.002 224 V CB 0.524 32.353 31.823 0.010 0.000 1.000 224 V HN 0.839 nan 8.190 nan 0.000 0.477 225 I N 3.493 124.067 120.570 0.006 0.000 2.333 225 I HA 0.013 4.183 4.170 0.001 0.000 0.246 225 I C 1.051 177.171 176.117 0.006 0.000 1.106 225 I CA 1.209 62.512 61.300 0.005 0.000 1.411 225 I CB -0.420 37.583 38.000 0.005 0.000 1.082 225 I HN 0.837 nan 8.210 nan 0.000 0.420 226 S N -0.839 114.865 115.700 0.006 0.000 2.578 226 S HA 0.580 5.050 4.470 0.001 0.000 0.272 226 S C -1.011 173.593 174.600 0.006 0.000 1.145 226 S CA -0.863 57.340 58.200 0.006 0.000 0.835 226 S CB 2.323 65.526 63.200 0.005 0.000 1.104 226 S HN -0.190 nan 8.310 nan 0.000 0.458 227 V N 1.647 121.565 119.914 0.007 0.000 2.443 227 V HA 0.614 4.734 4.120 0.001 0.000 0.293 227 V C -0.491 175.606 176.094 0.006 0.000 1.021 227 V CA -0.329 61.975 62.300 0.007 0.000 0.848 227 V CB 1.013 32.841 31.823 0.009 0.000 0.998 227 V HN 0.957 nan 8.190 nan 0.000 0.424 228 E N 2.129 122.332 120.200 0.005 0.000 2.359 228 E HA 0.442 4.792 4.350 0.001 0.000 0.266 228 E C -1.367 175.235 176.600 0.003 0.000 0.920 228 E CA -1.047 55.355 56.400 0.004 0.000 0.788 228 E CB 1.983 31.685 29.700 0.003 0.000 1.279 228 E HN 0.561 nan 8.360 nan 0.000 0.438 229 D N 2.919 123.321 120.400 0.003 0.000 2.382 229 D HA 0.126 4.767 4.640 0.001 0.000 0.245 229 D C -1.809 174.492 176.300 0.002 0.000 1.120 229 D CA -0.819 53.182 54.000 0.002 0.000 0.890 229 D CB 0.548 41.349 40.800 0.001 0.000 1.201 229 D HN 0.211 nan 8.370 nan 0.000 0.433 230 P HA 0.189 nan 4.420 nan 0.000 0.272 230 P C -2.457 174.844 177.300 0.001 0.000 1.230 230 P CA -1.026 62.075 63.100 0.002 0.000 0.788 230 P CB -0.336 31.365 31.700 0.002 0.000 0.949 231 P HA 0.038 nan 4.420 nan 0.000 0.267 231 P C -0.178 177.122 177.300 0.001 0.000 1.205 231 P CA 0.161 63.261 63.100 0.001 0.000 0.765 231 P CB 0.480 32.180 31.700 0.001 0.000 0.828 232 Q N 2.667 122.468 119.800 0.001 0.000 2.340 232 Q HA 0.293 4.633 4.340 0.001 0.000 0.249 232 Q C -0.019 175.981 176.000 0.000 0.000 0.957 232 Q CA -0.728 55.075 55.803 0.000 0.000 0.882 232 Q CB 1.263 30.001 28.738 0.000 0.000 1.235 232 Q HN 0.417 nan 8.270 nan 0.000 0.439 233 R N 1.260 121.760 120.500 0.000 0.000 2.404 233 R HA 0.217 4.557 4.340 0.001 0.000 0.291 233 R C -0.804 175.496 176.300 0.000 0.000 1.025 233 R CA -0.331 55.769 56.100 0.000 0.000 0.991 233 R CB 1.063 31.363 30.300 0.001 0.000 1.053 233 R HN 0.683 nan 8.270 nan 0.000 0.479 234 T N 3.131 117.685 114.554 0.000 0.000 2.853 234 T HA 0.148 4.498 4.350 0.001 0.000 0.298 234 T C 0.215 174.915 174.700 0.000 0.000 0.978 234 T CA -0.011 62.089 62.100 0.000 0.000 1.152 234 T CB 0.953 69.821 68.868 0.000 0.000 0.914 234 T HN 0.709 nan 8.240 nan 0.000 0.539 235 A N 3.575 126.395 122.820 -0.000 0.000 2.561 235 A HA 0.499 4.820 4.320 0.001 0.000 0.234 235 A C 1.105 178.689 177.584 -0.000 0.000 1.055 235 A CA 0.050 52.087 52.037 -0.000 0.000 0.756 235 A CB -0.125 18.875 19.000 -0.000 0.000 0.986 235 A HN 0.978 nan 8.150 nan 0.000 0.505 236 G N -0.684 108.116 108.800 0.000 0.000 2.543 236 G HA2 0.522 4.482 3.960 0.001 0.000 0.267 236 G HA3 0.522 4.482 3.960 0.001 0.000 0.267 236 G C -0.244 174.656 174.900 0.000 0.000 1.406 236 G CA 0.240 45.341 45.100 0.000 0.000 1.048 236 G HN 1.596 nan 8.290 nan 0.000 0.548 237 V N -1.147 118.767 119.914 0.000 0.000 2.914 237 V HA 0.693 4.813 4.120 0.001 0.000 0.314 237 V C -0.966 175.128 176.094 0.000 0.000 1.084 237 V CA -1.066 61.234 62.300 0.000 0.000 0.963 237 V CB 2.086 33.909 31.823 0.000 0.000 1.025 237 V HN 0.656 nan 8.190 nan 0.000 0.432 238 K N 3.842 124.242 120.400 0.000 0.000 2.185 238 K HA 0.637 4.957 4.320 0.001 0.000 0.269 238 K C -0.855 175.745 176.600 0.000 0.000 0.987 238 K CA -0.599 55.688 56.287 0.000 0.000 0.865 238 K CB 1.930 34.430 32.500 0.000 0.000 1.090 238 K HN 0.710 nan 8.250 nan 0.000 0.450 239 V N 0.335 120.249 119.914 0.000 0.000 2.472 239 V HA 0.233 4.353 4.120 0.001 0.000 0.290 239 V C 0.526 176.621 176.094 0.000 0.000 1.037 239 V CA -0.563 61.738 62.300 0.000 0.000 0.908 239 V CB 1.455 33.278 31.823 0.000 0.000 0.985 239 V HN 0.733 nan 8.190 nan 0.000 0.454 240 E N 2.769 122.969 120.200 0.000 0.000 2.158 240 E HA 0.089 4.439 4.350 0.001 0.000 0.191 240 E C 0.986 177.586 176.600 0.000 0.000 0.982 240 E CA 1.168 57.568 56.400 0.000 0.000 0.823 240 E CB -0.454 29.246 29.700 0.000 0.000 0.766 240 E HN 0.982 nan 8.360 nan 0.000 0.468 241 T N -3.337 111.217 114.554 0.000 0.000 2.916 241 T HA 0.390 4.741 4.350 0.001 0.000 0.292 241 T C 0.846 175.547 174.700 0.000 0.000 1.055 241 T CA -0.543 61.557 62.100 0.000 0.000 1.009 241 T CB 1.681 70.549 68.868 0.000 0.000 1.118 241 T HN -0.133 nan 8.240 nan 0.000 0.497 242 T N 0.806 115.360 114.554 0.000 0.000 2.803 242 T HA -0.098 4.252 4.350 0.001 0.000 0.269 242 T C 1.761 176.461 174.700 0.000 0.000 1.052 242 T CA 1.173 63.273 62.100 0.000 0.000 1.136 242 T CB -0.250 68.618 68.868 0.000 0.000 0.864 242 T HN 0.646 nan 8.240 nan 0.000 0.467 243 E N 1.210 121.410 120.200 0.000 0.000 2.077 243 E HA -0.144 4.206 4.350 0.001 0.000 0.193 243 E C 1.929 178.529 176.600 0.000 0.000 0.989 243 E CA 1.308 57.709 56.400 0.000 0.000 0.800 243 E CB -0.299 29.401 29.700 0.000 0.000 0.746 243 E HN 0.569 nan 8.360 nan 0.000 0.452 244 D N 0.208 120.608 120.400 0.000 0.000 2.117 244 D HA -0.138 4.503 4.640 0.001 0.000 0.198 244 D C 1.918 178.218 176.300 0.000 0.000 0.982 244 D CA 0.436 54.436 54.000 0.000 0.000 0.828 244 D CB -0.020 40.781 40.800 0.000 0.000 0.967 244 D HN -0.007 nan 8.370 nan 0.000 0.464 245 L N 0.394 121.617 121.223 0.000 0.000 1.989 245 L HA -0.173 4.167 4.340 0.001 0.000 0.211 245 L C 2.075 178.945 176.870 0.000 0.000 1.071 245 L CA 1.540 56.380 54.840 0.000 0.000 0.749 245 L CB -0.569 41.490 42.059 0.000 0.000 0.890 245 L HN -0.009 nan 8.230 nan 0.000 0.431 246 V N -0.058 119.856 119.914 0.000 0.000 2.343 246 V HA -0.282 3.839 4.120 0.001 0.000 0.247 246 V C 2.780 178.874 176.094 0.000 0.000 1.051 246 V CA 1.549 63.849 62.300 0.000 0.000 1.036 246 V CB -1.492 30.331 31.823 0.000 0.000 0.654 246 V HN 0.614 nan 8.190 nan 0.000 0.451 247 A N -0.164 122.656 122.820 0.000 0.000 1.883 247 A HA -0.210 4.110 4.320 0.001 0.000 0.217 247 A C 2.312 179.896 177.584 0.000 0.000 1.186 247 A CA 1.724 53.761 52.037 0.000 0.000 0.624 247 A CB -0.424 18.576 19.000 0.000 0.000 0.822 247 A HN 0.411 nan 8.150 nan 0.000 0.444 248 K N -0.091 120.309 120.400 0.000 0.000 2.026 248 K HA -0.053 4.267 4.320 0.001 0.000 0.208 248 K C 1.917 178.517 176.600 0.000 0.000 1.048 248 K CA 1.278 57.565 56.287 0.000 0.000 0.929 248 K CB -0.772 31.728 32.500 0.000 0.000 0.713 248 K HN 0.572 nan 8.250 nan 0.000 0.439 249 L N 0.773 121.996 121.223 0.000 0.000 2.141 249 L HA -0.146 4.195 4.340 0.001 0.000 0.209 249 L C 2.518 179.388 176.870 0.000 0.000 1.094 249 L CA 1.160 56.000 54.840 0.000 0.000 0.763 249 L CB -0.324 41.736 42.059 0.000 0.000 0.908 249 L HN 0.176 nan 8.230 nan 0.000 0.437 250 K N 0.398 120.798 120.400 0.000 0.000 2.025 250 K HA -0.193 4.128 4.320 0.001 0.000 0.207 250 K C 2.028 178.628 176.600 0.000 0.000 1.049 250 K CA 1.741 58.028 56.287 0.000 0.000 0.933 250 K CB -0.032 32.468 32.500 0.000 0.000 0.714 250 K HN 0.470 nan 8.250 nan 0.000 0.438 251 E N 1.128 121.328 120.200 0.000 0.000 2.204 251 E HA -0.175 4.175 4.350 0.001 0.000 0.194 251 E C 1.729 178.329 176.600 0.000 0.000 0.989 251 E CA 1.174 57.574 56.400 0.000 0.000 0.824 251 E CB -0.457 29.243 29.700 0.000 0.000 0.756 251 E HN 0.522 nan 8.360 nan 0.000 0.477 252 I N -2.768 117.802 120.570 0.000 0.000 3.793 252 I HA 0.416 4.586 4.170 0.001 0.000 0.315 252 I C 1.221 177.338 176.117 0.000 0.000 1.275 252 I CA 0.304 61.604 61.300 0.000 0.000 1.214 252 I CB 0.202 38.202 38.000 0.000 0.000 1.018 252 I HN 0.136 nan 8.210 nan 0.000 0.439 253 G N 2.153 110.953 108.800 0.000 0.000 2.149 253 G HA2 -0.228 3.732 3.960 0.001 0.000 0.235 253 G HA3 -0.228 3.732 3.960 0.001 0.000 0.235 253 G C 0.848 175.748 174.900 -0.000 0.000 1.018 253 G CA 0.161 45.261 45.100 0.000 0.000 0.728 253 G HN 0.398 nan 8.290 nan 0.000 0.508 254 R N -0.916 119.584 120.500 0.000 0.000 2.156 254 R HA 0.293 4.634 4.340 0.001 0.000 0.207 254 R C 1.478 177.778 176.300 0.000 0.000 1.040 254 R CA 0.755 56.855 56.100 -0.000 0.000 1.013 254 R CB 0.105 30.405 30.300 0.000 0.000 0.931 254 R HN 0.482 nan 8.270 nan 0.000 0.465 255 I N 0.000 120.570 120.570 0.000 0.000 2.984 255 I HA 0.000 4.170 4.170 0.001 0.000 0.288 255 I CA 0.000 61.300 61.300 0.000 0.000 1.566 255 I CB 0.000 38.000 38.000 0.000 0.000 1.214 255 I HN 0.000 nan 8.210 nan 0.000 0.494