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 2ats_1_B DATA FIRST_RESID 1 DATA SEQUENCE MFTGSIVAIV TPMDEKGNVC RASLKKLIDY HVASGTSAIV SVGTTGESAT DATA SEQUENCE LNHDEHADVV MMTLDLADGR IPVIAGTGAN ATAEAISLTQ RFNDSGIVGC DATA SEQUENCE LTVTPYYNRP SQEGLYQHFK AIAEHTDLPQ ILYNVPSRTG CDLLPETVGR DATA SEQUENCE LAKVKNIIGI KEATGNLTRV NQIKELVSDD FVLLSGDDAS ALDFMQLGGH DATA SEQUENCE GVISVTANVA ARDMAQMCKL AAEGHFAEAR VINQRLMPLH NKLFVEPNPI DATA SEQUENCE PVKWACKELG LVATDTLRLP MTPITDSGRE TVRAALKHAG LL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 175.818 176.300 -0.804 0.000 1.140 1 M CA 0.000 54.898 55.300 -0.670 0.000 0.988 1 M CB 0.000 32.413 32.600 -0.312 0.000 1.302 2 F N 1.884 121.797 119.950 -0.061 0.000 2.805 2 F HA 0.365 4.892 4.527 0.000 0.000 0.317 2 F C 0.597 176.366 175.800 -0.053 0.000 1.146 2 F CA -0.198 57.758 58.000 -0.074 0.000 1.265 2 F CB 0.660 39.597 39.000 -0.104 0.000 0.992 2 F HN 0.522 nan 8.300 nan 0.000 0.511 3 T N -3.032 111.556 114.554 0.057 0.000 2.887 3 T HA 0.841 5.191 4.350 -0.000 0.000 0.292 3 T C 0.410 175.133 174.700 0.038 0.000 1.087 3 T CA -0.383 61.761 62.100 0.074 0.000 1.009 3 T CB 1.819 70.730 68.868 0.071 0.000 1.203 3 T HN 0.604 nan 8.240 nan 0.000 0.518 4 G N 0.878 109.713 108.800 0.059 0.000 2.525 4 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.248 4 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.248 4 G C 0.046 174.960 174.900 0.024 0.000 1.238 4 G CA -0.089 45.034 45.100 0.038 0.000 0.926 4 G HN 1.651 nan 8.290 nan 0.000 0.574 5 S N 0.193 115.900 115.700 0.013 0.000 2.416 5 S HA 0.610 5.080 4.470 -0.000 0.000 0.287 5 S C 0.275 174.864 174.600 -0.018 0.000 1.139 5 S CA -0.507 57.698 58.200 0.009 0.000 1.058 5 S CB -0.497 62.718 63.200 0.026 0.000 0.967 5 S HN 0.616 nan 8.310 nan 0.000 0.495 6 I N 5.107 125.657 120.570 -0.033 0.000 2.378 6 I HA 0.355 4.525 4.170 -0.000 0.000 0.291 6 I C -0.024 176.043 176.117 -0.084 0.000 0.992 6 I CA -0.871 60.390 61.300 -0.066 0.000 1.154 6 I CB 1.863 39.829 38.000 -0.057 0.000 1.315 6 I HN 0.303 nan 8.210 nan 0.000 0.448 7 V N 6.803 126.630 119.914 -0.145 0.000 2.461 7 V HA 0.475 4.595 4.120 -0.000 0.000 0.275 7 V C 0.657 176.670 176.094 -0.135 0.000 1.047 7 V CA -0.317 61.884 62.300 -0.164 0.000 0.955 7 V CB 1.382 32.968 31.823 -0.395 0.000 0.988 7 V HN 0.842 nan 8.190 nan 0.000 0.471 8 A N 8.023 130.799 122.820 -0.073 0.000 2.915 8 A HA 0.394 4.714 4.320 -0.000 0.000 0.292 8 A C 0.130 177.689 177.584 -0.042 0.000 1.632 8 A CA -0.192 51.813 52.037 -0.054 0.000 1.337 8 A CB -0.551 18.436 19.000 -0.021 0.000 1.111 8 A HN 0.900 nan 8.150 nan 0.000 0.569 9 I N 3.077 123.606 120.570 -0.069 0.000 2.634 9 I HA 0.157 4.327 4.170 -0.000 0.000 0.284 9 I C 0.713 176.817 176.117 -0.021 0.000 1.124 9 I CA -0.274 60.998 61.300 -0.048 0.000 1.417 9 I CB 1.244 39.199 38.000 -0.075 0.000 1.396 9 I HN 0.540 nan 8.210 nan 0.000 0.571 10 V N 3.633 123.548 119.914 0.001 0.000 2.963 10 V HA 0.147 4.267 4.120 -0.000 0.000 0.306 10 V C 0.277 176.364 176.094 -0.013 0.000 1.077 10 V CA -0.303 61.993 62.300 -0.006 0.000 1.124 10 V CB 0.705 32.526 31.823 -0.002 0.000 0.987 10 V HN 0.766 nan 8.190 nan 0.000 0.487 11 T N 6.303 120.844 114.554 -0.021 0.000 2.891 11 T HA 0.364 4.714 4.350 -0.000 0.000 0.315 11 T C -2.406 172.285 174.700 -0.015 0.000 1.054 11 T CA -0.708 61.379 62.100 -0.022 0.000 0.958 11 T CB 0.465 69.311 68.868 -0.036 0.000 1.008 11 T HN 0.797 nan 8.240 nan 0.000 0.521 12 P HA 0.252 nan 4.420 nan 0.000 0.267 12 P C -0.624 176.670 177.300 -0.010 0.000 1.205 12 P CA -0.159 62.933 63.100 -0.013 0.000 0.765 12 P CB 0.584 32.276 31.700 -0.015 0.000 0.828 13 M N 1.952 121.546 119.600 -0.010 0.000 2.591 13 M HA 0.293 4.773 4.480 -0.000 0.000 0.306 13 M C 0.391 176.688 176.300 -0.006 0.000 1.190 13 M CA -0.818 54.479 55.300 -0.006 0.000 0.889 13 M CB 1.858 34.456 32.600 -0.003 0.000 1.728 13 M HN 0.300 nan 8.290 nan 0.000 0.458 14 D N -0.104 120.294 120.400 -0.003 0.000 2.447 14 D HA 0.080 4.720 4.640 -0.000 0.000 0.265 14 D C 0.631 176.931 176.300 0.000 0.000 1.250 14 D CA -0.346 53.653 54.000 -0.003 0.000 1.046 14 D CB 0.323 41.122 40.800 -0.002 0.000 1.095 14 D HN 0.407 nan 8.370 nan 0.000 0.555 15 E N -1.501 118.700 120.200 0.001 0.000 2.333 15 E HA -0.102 4.248 4.350 -0.000 0.000 0.198 15 E C 1.272 177.874 176.600 0.004 0.000 1.007 15 E CA 0.975 57.377 56.400 0.004 0.000 0.845 15 E CB -0.352 29.350 29.700 0.004 0.000 0.766 15 E HN 0.431 nan 8.360 nan 0.000 0.507 16 K N -1.247 119.155 120.400 0.004 0.000 2.404 16 K HA 0.216 4.536 4.320 -0.000 0.000 0.194 16 K C 1.277 177.880 176.600 0.005 0.000 1.023 16 K CA 0.495 56.785 56.287 0.005 0.000 1.094 16 K CB 0.923 33.426 32.500 0.005 0.000 0.841 16 K HN 0.307 nan 8.250 nan 0.000 0.523 17 G N 1.940 110.743 108.800 0.004 0.000 2.143 17 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.249 17 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.249 17 G C -0.373 174.530 174.900 0.004 0.000 0.981 17 G CA -0.337 44.765 45.100 0.003 0.000 0.665 17 G HN 0.245 nan 8.290 nan 0.000 0.528 18 N N -0.172 118.531 118.700 0.005 0.000 2.487 18 N HA 0.430 5.170 4.740 -0.000 0.000 0.292 18 N C 0.442 175.955 175.510 0.005 0.000 1.108 18 N CA -0.302 52.752 53.050 0.007 0.000 0.956 18 N CB 2.140 40.633 38.487 0.009 0.000 1.176 18 N HN 0.224 nan 8.380 nan 0.000 0.484 19 V N 1.382 121.300 119.914 0.007 0.000 2.644 19 V HA -0.113 4.007 4.120 -0.000 0.000 0.305 19 V C 0.145 176.241 176.094 0.004 0.000 1.053 19 V CA -0.057 62.246 62.300 0.005 0.000 1.186 19 V CB 0.052 31.881 31.823 0.010 0.000 0.895 19 V HN 0.782 nan 8.190 nan 0.000 0.490 20 C N 8.091 127.391 119.300 0.000 0.000 2.200 20 C HA 0.406 4.866 4.460 -0.000 0.000 0.328 20 C C 1.664 176.654 174.990 -0.000 0.000 1.148 20 C CA -0.478 58.538 59.018 -0.002 0.000 1.624 20 C CB -0.523 27.212 27.740 -0.008 0.000 2.167 20 C HN 1.129 nan 8.230 nan 0.000 0.484 21 R N 3.838 124.340 120.500 0.003 0.000 2.081 21 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 21 R C 2.097 178.399 176.300 0.003 0.000 1.131 21 R CA 2.050 58.153 56.100 0.005 0.000 0.960 21 R CB -0.125 30.179 30.300 0.008 0.000 0.856 21 R HN 0.848 nan 8.270 nan 0.000 0.436 22 A N -0.075 122.744 122.820 -0.002 0.000 1.902 22 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 22 A C 2.194 179.772 177.584 -0.009 0.000 1.181 22 A CA 1.903 53.937 52.037 -0.005 0.000 0.623 22 A CB -0.492 18.503 19.000 -0.009 0.000 0.818 22 A HN 0.416 nan 8.150 nan 0.000 0.443 23 S N -0.693 114.999 115.700 -0.013 0.000 2.383 23 S HA -0.092 4.378 4.470 -0.000 0.000 0.227 23 S C 1.830 176.425 174.600 -0.008 0.000 1.026 23 S CA 1.268 59.456 58.200 -0.020 0.000 0.981 23 S CB -0.343 62.841 63.200 -0.027 0.000 0.818 23 S HN 0.475 nan 8.310 nan 0.000 0.472 24 L N 2.295 123.519 121.223 0.002 0.000 2.093 24 L HA 0.017 4.357 4.340 -0.000 0.000 0.208 24 L C 2.120 179.006 176.870 0.027 0.000 1.085 24 L CA 1.800 56.650 54.840 0.016 0.000 0.755 24 L CB -0.566 41.500 42.059 0.012 0.000 0.904 24 L HN 0.154 nan 8.230 nan 0.000 0.435 25 K N -0.333 120.078 120.400 0.018 0.000 2.026 25 K HA -0.272 4.048 4.320 -0.000 0.000 0.208 25 K C 2.325 178.942 176.600 0.029 0.000 1.048 25 K CA 1.850 58.150 56.287 0.022 0.000 0.929 25 K CB -0.182 32.325 32.500 0.012 0.000 0.713 25 K HN 0.301 nan 8.250 nan 0.000 0.439 26 K N 0.693 121.102 120.400 0.015 0.000 2.032 26 K HA -0.153 4.167 4.320 -0.000 0.000 0.209 26 K C 2.162 178.785 176.600 0.038 0.000 1.048 26 K CA 1.649 57.940 56.287 0.007 0.000 0.927 26 K CB -0.142 32.341 32.500 -0.028 0.000 0.712 26 K HN 0.164 nan 8.250 nan 0.000 0.441 27 L N 0.668 121.920 121.223 0.049 0.000 2.042 27 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 27 L C 2.438 179.461 176.870 0.255 0.000 1.076 27 L CA 1.238 56.160 54.840 0.136 0.000 0.749 27 L CB -0.399 41.746 42.059 0.144 0.000 0.893 27 L HN 0.255 nan 8.230 nan 0.000 0.432 28 I N -0.339 120.333 120.570 0.170 0.000 2.252 28 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 28 I C 2.111 178.301 176.117 0.121 0.000 1.102 28 I CA 1.126 62.520 61.300 0.156 0.000 1.385 28 I CB -0.391 37.656 38.000 0.079 0.000 1.064 28 I HN 0.255 nan 8.210 nan 0.000 0.414 29 D N 0.117 120.568 120.400 0.086 0.000 2.144 29 D HA -0.241 4.399 4.640 -0.000 0.000 0.199 29 D C 1.902 178.239 176.300 0.062 0.000 0.984 29 D CA 1.326 55.360 54.000 0.058 0.000 0.834 29 D CB -0.358 40.467 40.800 0.042 0.000 0.955 29 D HN 0.382 nan 8.370 nan 0.000 0.465 30 Y N 1.444 121.699 120.300 -0.075 0.000 2.145 30 Y HA -0.248 4.302 4.550 -0.000 0.000 0.286 30 Y C 2.360 178.133 175.900 -0.212 0.000 1.145 30 Y CA 1.754 59.755 58.100 -0.165 0.000 1.148 30 Y CB -0.375 37.937 38.460 -0.246 0.000 0.981 30 Y HN 0.115 nan 8.280 nan 0.000 0.507 31 H N -1.091 117.923 119.070 -0.092 0.000 2.389 31 H HA -0.107 4.449 4.556 0.000 0.000 0.299 31 H C 2.529 177.766 175.328 -0.152 0.000 1.081 31 H CA 1.703 57.636 56.048 -0.193 0.000 1.345 31 H CB -0.504 29.220 29.762 -0.062 0.000 1.393 31 H HN 0.335 nan 8.280 nan 0.000 0.520 32 V N 1.196 121.116 119.914 0.009 0.000 2.287 32 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 32 V C 2.774 178.833 176.094 -0.059 0.000 1.053 32 V CA 1.774 64.063 62.300 -0.019 0.000 1.027 32 V CB -0.956 30.865 31.823 -0.004 0.000 0.646 32 V HN 0.461 nan 8.190 nan 0.000 0.447 33 A N -0.894 121.876 122.820 -0.084 0.000 2.066 33 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 33 A C 2.211 179.713 177.584 -0.136 0.000 1.157 33 A CA 1.697 53.681 52.037 -0.088 0.000 0.670 33 A CB -0.272 18.691 19.000 -0.061 0.000 0.804 33 A HN 0.519 nan 8.150 nan 0.000 0.453 34 S N -1.656 113.903 115.700 -0.236 0.000 2.557 34 S HA 0.401 4.871 4.470 -0.000 0.000 0.223 34 S C 1.229 175.730 174.600 -0.166 0.000 0.969 34 S CA 0.539 58.575 58.200 -0.273 0.000 0.927 34 S CB 0.381 63.227 63.200 -0.592 0.000 0.806 34 S HN 1.537 nan 8.310 nan 0.000 0.489 35 G N 2.004 110.738 108.800 -0.109 0.000 2.141 35 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.242 35 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.242 35 G C 0.133 175.009 174.900 -0.041 0.000 0.982 35 G CA 0.121 45.183 45.100 -0.063 0.000 0.662 35 G HN 0.452 nan 8.290 nan 0.000 0.527 36 T N 1.090 115.629 114.554 -0.026 0.000 2.946 36 T HA 0.365 4.715 4.350 -0.000 0.000 0.311 36 T C 1.691 176.370 174.700 -0.034 0.000 1.063 36 T CA 0.665 62.766 62.100 0.002 0.000 1.139 36 T CB 1.364 70.285 68.868 0.088 0.000 0.994 36 T HN 0.229 nan 8.240 nan 0.000 0.547 37 S N 1.458 117.130 115.700 -0.047 0.000 2.387 37 S HA 0.326 4.796 4.470 -0.000 0.000 0.226 37 S C 0.880 175.418 174.600 -0.104 0.000 1.026 37 S CA 0.581 58.738 58.200 -0.070 0.000 0.972 37 S CB 0.026 63.188 63.200 -0.064 0.000 0.814 37 S HN 0.974 nan 8.310 nan 0.000 0.477 38 A N -0.041 122.715 122.820 -0.108 0.000 2.566 38 A HA 0.693 5.013 4.320 -0.000 0.000 0.290 38 A C -1.865 175.636 177.584 -0.138 0.000 1.071 38 A CA -0.765 51.195 52.037 -0.128 0.000 0.658 38 A CB 0.610 19.514 19.000 -0.159 0.000 1.285 38 A HN 0.174 nan 8.150 nan 0.000 0.427 39 I N 1.104 121.593 120.570 -0.134 0.000 2.389 39 I HA 0.385 4.555 4.170 -0.000 0.000 0.288 39 I C -0.643 175.409 176.117 -0.109 0.000 0.999 39 I CA -0.982 60.227 61.300 -0.151 0.000 1.129 39 I CB 1.903 39.819 38.000 -0.140 0.000 1.288 39 I HN 0.335 nan 8.210 nan 0.000 0.444 40 V N 5.211 125.062 119.914 -0.105 0.000 2.427 40 V HA 0.124 4.244 4.120 -0.000 0.000 0.268 40 V C 0.479 176.527 176.094 -0.077 0.000 1.046 40 V CA 0.003 62.257 62.300 -0.077 0.000 0.970 40 V CB 1.170 32.948 31.823 -0.074 0.000 1.001 40 V HN 0.769 nan 8.190 nan 0.000 0.476 41 S N 4.131 119.785 115.700 -0.075 0.000 2.429 41 S HA 0.461 4.931 4.470 -0.000 0.000 0.302 41 S C 0.126 174.680 174.600 -0.077 0.000 1.115 41 S CA -0.424 57.728 58.200 -0.081 0.000 1.095 41 S CB 0.811 63.950 63.200 -0.101 0.000 0.987 41 S HN 1.070 nan 8.310 nan 0.000 0.474 42 V N 3.874 123.727 119.914 -0.101 0.000 5.961 42 V HA -0.193 3.927 4.120 -0.000 0.000 0.311 42 V C 1.048 177.083 176.094 -0.099 0.000 0.552 42 V CA 1.025 63.214 62.300 -0.185 0.000 0.641 42 V CB -2.600 28.952 31.823 -0.452 0.000 0.286 42 V HN 0.962 nan 8.190 nan 0.000 0.939 43 G N 0.283 109.065 108.800 -0.030 0.000 2.574 43 G HA2 0.450 4.410 3.960 -0.000 0.000 0.248 43 G HA3 0.450 4.410 3.960 -0.000 0.000 0.248 43 G C 0.979 175.908 174.900 0.048 0.000 1.422 43 G CA 0.444 45.571 45.100 0.045 0.000 1.051 43 G HN 0.405 nan 8.290 nan 0.000 0.560 44 T N 0.198 114.825 114.554 0.121 0.000 2.720 44 T HA -0.139 4.211 4.350 -0.000 0.000 0.268 44 T C 2.512 177.244 174.700 0.053 0.000 1.037 44 T CA 2.081 64.243 62.100 0.104 0.000 1.144 44 T CB -0.457 68.529 68.868 0.197 0.000 0.864 44 T HN 0.401 nan 8.240 nan 0.000 0.444 45 T N 0.882 115.466 114.554 0.050 0.000 2.995 45 T HA 0.075 4.425 4.350 -0.000 0.000 0.269 45 T C 1.972 176.668 174.700 -0.006 0.000 1.091 45 T CA 0.925 63.040 62.100 0.024 0.000 1.128 45 T CB -0.341 68.543 68.868 0.027 0.000 0.891 45 T HN 0.505 nan 8.240 nan 0.000 0.492 46 G N 0.746 109.534 108.800 -0.021 0.000 3.124 46 G HA2 0.140 4.100 3.960 -0.000 0.000 0.212 46 G HA3 0.140 4.100 3.960 -0.000 0.000 0.212 46 G C 0.125 174.986 174.900 -0.066 0.000 1.181 46 G CA -0.285 44.786 45.100 -0.049 0.000 0.803 46 G HN 0.554 nan 8.290 nan 0.000 0.529 47 E N -0.143 120.028 120.200 -0.048 0.000 2.389 47 E HA -0.280 4.070 4.350 -0.000 0.000 0.243 47 E C 1.873 178.424 176.600 -0.082 0.000 1.154 47 E CA 0.216 56.585 56.400 -0.052 0.000 0.723 47 E CB -1.513 28.163 29.700 -0.040 0.000 1.261 47 E HN 0.635 nan 8.360 nan 0.000 0.390 48 S N -0.670 114.969 115.700 -0.101 0.000 2.380 48 S HA -0.293 4.177 4.470 -0.000 0.000 0.229 48 S C 2.180 176.743 174.600 -0.063 0.000 1.043 48 S CA 1.202 59.320 58.200 -0.136 0.000 1.038 48 S CB -0.234 62.928 63.200 -0.064 0.000 0.872 48 S HN 0.563 nan 8.310 nan 0.000 0.456 49 A N 2.005 124.788 122.820 -0.062 0.000 1.917 49 A HA -0.081 4.239 4.320 -0.000 0.000 0.219 49 A C 2.478 180.042 177.584 -0.033 0.000 1.182 49 A CA 2.268 54.270 52.037 -0.057 0.000 0.633 49 A CB -1.469 17.474 19.000 -0.095 0.000 0.819 49 A HN 0.885 nan 8.150 nan 0.000 0.448 50 T N -3.689 110.844 114.554 -0.035 0.000 3.105 50 T HA 0.483 4.833 4.350 -0.000 0.000 0.253 50 T C 0.036 174.728 174.700 -0.013 0.000 1.047 50 T CA -0.334 61.753 62.100 -0.021 0.000 0.944 50 T CB -0.105 68.751 68.868 -0.020 0.000 1.016 50 T HN -0.016 nan 8.240 nan 0.000 0.544 51 L N 4.170 125.381 121.223 -0.020 0.000 2.295 51 L HA 0.503 4.843 4.340 -0.000 0.000 0.285 51 L C 0.236 177.120 176.870 0.022 0.000 1.035 51 L CA -1.089 53.751 54.840 0.000 0.000 0.806 51 L CB 0.996 43.040 42.059 -0.024 0.000 1.214 51 L HN 0.416 nan 8.230 nan 0.000 0.426 52 N N 1.082 119.808 118.700 0.043 0.000 2.317 52 N HA -0.015 4.725 4.740 -0.000 0.000 0.245 52 N C 0.932 176.492 175.510 0.084 0.000 1.294 52 N CA 0.154 53.237 53.050 0.056 0.000 0.924 52 N CB 0.193 38.727 38.487 0.080 0.000 1.186 52 N HN 0.503 nan 8.380 nan 0.000 0.495 53 H N -1.453 117.673 119.070 0.094 0.000 2.352 53 H HA -0.104 4.452 4.556 -0.000 0.000 0.299 53 H C 0.803 176.176 175.328 0.074 0.000 1.097 53 H CA 2.231 58.318 56.048 0.066 0.000 1.311 53 H CB -0.076 29.684 29.762 -0.004 0.000 1.377 53 H HN 0.709 nan 8.280 nan 0.000 0.504 54 D N -0.037 120.468 120.400 0.175 0.000 2.117 54 D HA -0.112 4.528 4.640 -0.000 0.000 0.198 54 D C 1.883 178.264 176.300 0.135 0.000 0.982 54 D CA 1.126 55.199 54.000 0.123 0.000 0.828 54 D CB 0.050 40.901 40.800 0.085 0.000 0.967 54 D HN 0.457 nan 8.370 nan 0.000 0.464 55 E N -1.037 119.240 120.200 0.128 0.000 2.077 55 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 55 E C 1.897 178.598 176.600 0.168 0.000 0.989 55 E CA 0.858 57.327 56.400 0.115 0.000 0.800 55 E CB -0.175 29.571 29.700 0.077 0.000 0.746 55 E HN 0.533 nan 8.360 nan 0.000 0.452 56 H N 0.224 119.344 119.070 0.082 0.000 2.289 56 H HA -0.163 4.393 4.556 -0.000 0.000 0.296 56 H C 2.115 177.575 175.328 0.221 0.000 1.091 56 H CA 1.545 57.665 56.048 0.120 0.000 1.274 56 H CB 0.035 29.855 29.762 0.097 0.000 1.364 56 H HN 0.191 nan 8.280 nan 0.000 0.490 57 A N 0.578 123.666 122.820 0.447 0.000 1.940 57 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 57 A C 2.035 179.815 177.584 0.327 0.000 1.176 57 A CA 1.920 54.242 52.037 0.474 0.000 0.631 57 A CB -0.450 18.680 19.000 0.216 0.000 0.814 57 A HN 0.553 nan 8.150 nan 0.000 0.446 58 D N -0.349 120.176 120.400 0.209 0.000 2.117 58 D HA -0.106 4.534 4.640 -0.000 0.000 0.197 58 D C 2.046 178.413 176.300 0.112 0.000 0.987 58 D CA 1.449 55.531 54.000 0.136 0.000 0.829 58 D CB -0.361 40.498 40.800 0.098 0.000 0.961 58 D HN 0.229 nan 8.370 nan 0.000 0.460 59 V N 0.431 120.410 119.914 0.109 0.000 2.358 59 V HA -0.179 3.941 4.120 -0.000 0.000 0.246 59 V C 2.628 178.746 176.094 0.040 0.000 1.047 59 V CA 0.876 63.210 62.300 0.056 0.000 1.035 59 V CB -0.367 31.469 31.823 0.022 0.000 0.658 59 V HN 0.053 nan 8.190 nan 0.000 0.452 60 V N -0.376 119.575 119.914 0.062 0.000 2.287 60 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 60 V C 2.524 178.611 176.094 -0.013 0.000 1.053 60 V CA 1.993 64.263 62.300 -0.049 0.000 1.027 60 V CB -0.629 31.026 31.823 -0.281 0.000 0.646 60 V HN 0.412 nan 8.190 nan 0.000 0.447 61 M N -1.206 118.438 119.600 0.073 0.000 2.175 61 M HA -0.130 4.350 4.480 -0.000 0.000 0.264 61 M C 2.142 178.467 176.300 0.042 0.000 1.063 61 M CA 1.743 57.087 55.300 0.072 0.000 1.119 61 M CB -1.162 31.505 32.600 0.111 0.000 1.377 61 M HN 0.390 nan 8.290 nan 0.000 0.415 62 M N -0.281 119.343 119.600 0.041 0.000 2.175 62 M HA -0.172 4.308 4.480 -0.000 0.000 0.264 62 M C 1.795 178.103 176.300 0.014 0.000 1.063 62 M CA 1.547 56.864 55.300 0.027 0.000 1.119 62 M CB -0.141 32.475 32.600 0.028 0.000 1.377 62 M HN 0.205 nan 8.290 nan 0.000 0.415 63 T N 1.380 115.935 114.554 0.003 0.000 2.737 63 T HA -0.105 4.245 4.350 -0.000 0.000 0.265 63 T C 1.720 176.412 174.700 -0.013 0.000 1.038 63 T CA 1.382 63.477 62.100 -0.010 0.000 1.144 63 T CB -0.354 68.497 68.868 -0.029 0.000 0.866 63 T HN 0.361 nan 8.240 nan 0.000 0.434 64 L N 0.953 122.166 121.223 -0.017 0.000 1.989 64 L HA -0.174 4.166 4.340 -0.000 0.000 0.211 64 L C 2.620 179.490 176.870 -0.000 0.000 1.071 64 L CA 1.612 56.445 54.840 -0.012 0.000 0.749 64 L CB -0.544 41.511 42.059 -0.006 0.000 0.890 64 L HN 0.234 nan 8.230 nan 0.000 0.431 65 D N 0.177 120.582 120.400 0.009 0.000 2.103 65 D HA -0.218 4.422 4.640 -0.000 0.000 0.190 65 D C 2.238 178.543 176.300 0.008 0.000 0.997 65 D CA 1.645 55.652 54.000 0.012 0.000 0.833 65 D CB -0.149 40.661 40.800 0.018 0.000 0.961 65 D HN 0.198 nan 8.370 nan 0.000 0.447 66 L N -0.011 121.217 121.223 0.009 0.000 2.083 66 L HA -0.109 4.231 4.340 -0.000 0.000 0.209 66 L C 2.650 179.525 176.870 0.008 0.000 1.083 66 L CA 1.132 55.978 54.840 0.010 0.000 0.752 66 L CB -0.525 41.542 42.059 0.014 0.000 0.899 66 L HN 0.065 nan 8.230 nan 0.000 0.433 67 A N -0.742 122.080 122.820 0.003 0.000 1.972 67 A HA -0.275 4.045 4.320 -0.000 0.000 0.219 67 A C 1.241 178.823 177.584 -0.004 0.000 1.169 67 A CA 1.453 53.490 52.037 -0.001 0.000 0.635 67 A CB -0.458 18.534 19.000 -0.014 0.000 0.810 67 A HN 0.560 nan 8.150 nan 0.000 0.446 68 D N -3.217 117.181 120.400 -0.003 0.000 2.751 68 D HA -0.143 4.497 4.640 -0.000 0.000 0.233 68 D C 0.931 177.227 176.300 -0.007 0.000 1.149 68 D CA 1.952 55.951 54.000 -0.002 0.000 0.682 68 D CB -1.570 39.230 40.800 0.000 0.000 1.068 68 D HN 1.482 nan 8.370 nan 0.000 0.429 69 G N -0.730 108.063 108.800 -0.012 0.000 2.179 69 G HA2 -0.423 3.537 3.960 -0.000 0.000 0.260 69 G HA3 -0.423 3.537 3.960 -0.000 0.000 0.260 69 G C 1.163 176.049 174.900 -0.023 0.000 0.977 69 G CA 0.639 45.728 45.100 -0.018 0.000 0.641 69 G HN 0.568 nan 8.290 nan 0.000 0.533 70 R N -0.623 119.865 120.500 -0.020 0.000 2.246 70 R HA 0.522 4.862 4.340 -0.000 0.000 0.199 70 R C 0.993 177.275 176.300 -0.031 0.000 0.984 70 R CA 1.029 57.116 56.100 -0.022 0.000 1.015 70 R CB 0.631 30.922 30.300 -0.014 0.000 0.930 70 R HN 0.553 nan 8.270 nan 0.000 0.475 71 I N 0.954 121.503 120.570 -0.036 0.000 2.722 71 I HA 0.327 4.497 4.170 -0.000 0.000 0.292 71 I C -2.774 173.302 176.117 -0.068 0.000 1.267 71 I CA -2.884 58.385 61.300 -0.051 0.000 1.036 71 I CB 2.530 40.508 38.000 -0.035 0.000 1.281 71 I HN -0.181 nan 8.210 nan 0.000 0.423 72 P HA 0.208 nan 4.420 nan 0.000 0.271 72 P C -1.244 175.991 177.300 -0.109 0.000 1.216 72 P CA -0.173 62.855 63.100 -0.120 0.000 0.776 72 P CB 0.844 32.427 31.700 -0.196 0.000 0.881 73 V N 4.543 124.403 119.914 -0.090 0.000 2.448 73 V HA 0.388 4.508 4.120 -0.000 0.000 0.295 73 V C 0.280 176.335 176.094 -0.066 0.000 1.025 73 V CA -0.490 61.761 62.300 -0.081 0.000 0.859 73 V CB 1.417 33.194 31.823 -0.076 0.000 0.988 73 V HN 0.388 nan 8.190 nan 0.000 0.431 74 I N 3.811 124.349 120.570 -0.053 0.000 2.377 74 I HA 0.669 4.839 4.170 -0.000 0.000 0.293 74 I C 0.508 176.593 176.117 -0.054 0.000 0.987 74 I CA -0.432 60.865 61.300 -0.006 0.000 1.185 74 I CB 1.790 39.822 38.000 0.054 0.000 1.341 74 I HN 0.687 nan 8.210 nan 0.000 0.455 75 A N 4.743 127.514 122.820 -0.081 0.000 2.301 75 A HA 0.637 4.957 4.320 -0.000 0.000 0.298 75 A C 0.492 178.092 177.584 0.027 0.000 1.185 75 A CA -0.470 51.477 52.037 -0.149 0.000 0.830 75 A CB 0.466 19.166 19.000 -0.500 0.000 1.112 75 A HN 0.860 nan 8.150 nan 0.000 0.508 76 G N 1.319 110.176 108.800 0.095 0.000 2.299 76 G HA2 0.389 4.349 3.960 -0.000 0.000 0.256 76 G HA3 0.389 4.349 3.960 -0.000 0.000 0.256 76 G C 0.692 175.826 174.900 0.391 0.000 1.259 76 G CA 0.615 45.851 45.100 0.225 0.000 0.943 76 G HN 1.246 nan 8.290 nan 0.000 0.479 77 T N -0.178 114.577 114.554 0.334 0.000 3.144 77 T HA 0.354 4.704 4.350 -0.000 0.000 0.290 77 T C 1.078 175.955 174.700 0.294 0.000 0.966 77 T CA 0.245 62.538 62.100 0.323 0.000 0.907 77 T CB 0.441 69.488 68.868 0.299 0.000 1.152 77 T HN 0.709 nan 8.240 nan 0.000 0.532 78 G N 0.915 109.920 108.800 0.341 0.000 2.491 78 G HA2 0.563 4.523 3.960 -0.000 0.000 0.242 78 G HA3 0.563 4.523 3.960 -0.000 0.000 0.242 78 G C -0.261 174.846 174.900 0.344 0.000 1.266 78 G CA -0.004 45.314 45.100 0.363 0.000 0.844 78 G HN 0.900 nan 8.290 nan 0.000 0.571 79 A N 1.478 124.474 122.820 0.292 0.000 2.606 79 A HA 0.592 4.912 4.320 -0.000 0.000 0.293 79 A C 0.513 178.038 177.584 -0.099 0.000 1.082 79 A CA -0.473 51.675 52.037 0.183 0.000 0.685 79 A CB 1.305 20.414 19.000 0.182 0.000 1.284 79 A HN 0.756 nan 8.150 nan 0.000 0.408 80 N N 0.376 118.805 118.700 -0.451 0.000 2.398 80 N HA 0.280 5.020 4.740 -0.000 0.000 0.188 80 N C 0.185 175.535 175.510 -0.268 0.000 1.122 80 N CA 0.806 53.486 53.050 -0.617 0.000 0.866 80 N CB 0.368 38.258 38.487 -0.996 0.000 0.970 80 N HN 0.935 nan 8.380 nan 0.000 0.462 81 A N -0.264 122.501 122.820 -0.091 0.000 2.304 81 A HA 0.550 4.870 4.320 -0.000 0.000 0.314 81 A C 0.899 178.526 177.584 0.073 0.000 1.187 81 A CA -0.600 51.429 52.037 -0.012 0.000 0.810 81 A CB 0.840 19.838 19.000 -0.004 0.000 1.183 81 A HN 0.118 nan 8.150 nan 0.000 0.487 82 T N 2.113 116.729 114.554 0.103 0.000 2.720 82 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 82 T C 2.272 176.949 174.700 -0.038 0.000 1.037 82 T CA 2.224 64.355 62.100 0.051 0.000 1.144 82 T CB -0.238 68.658 68.868 0.047 0.000 0.864 82 T HN 0.937 nan 8.240 nan 0.000 0.444 83 A N 1.673 124.474 122.820 -0.031 0.000 1.917 83 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 83 A C 2.233 179.783 177.584 -0.057 0.000 1.182 83 A CA 1.863 53.866 52.037 -0.057 0.000 0.633 83 A CB -0.592 18.374 19.000 -0.056 0.000 0.819 83 A HN 0.603 nan 8.150 nan 0.000 0.448 84 E N -0.439 119.750 120.200 -0.018 0.000 2.072 84 E HA -0.090 4.260 4.350 -0.000 0.000 0.191 84 E C 2.387 179.016 176.600 0.049 0.000 0.985 84 E CA 0.864 57.271 56.400 0.012 0.000 0.801 84 E CB -0.314 29.459 29.700 0.121 0.000 0.750 84 E HN 0.624 nan 8.360 nan 0.000 0.452 85 A N 1.377 124.228 122.820 0.053 0.000 1.883 85 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 85 A C 2.196 179.776 177.584 -0.005 0.000 1.186 85 A CA 1.299 53.362 52.037 0.043 0.000 0.624 85 A CB -0.680 18.305 19.000 -0.025 0.000 0.822 85 A HN 0.145 nan 8.150 nan 0.000 0.444 86 I N -0.575 119.966 120.570 -0.050 0.000 2.179 86 I HA -0.232 3.938 4.170 -0.000 0.000 0.242 86 I C 2.902 178.978 176.117 -0.068 0.000 1.088 86 I CA 1.547 62.816 61.300 -0.053 0.000 1.357 86 I CB -0.274 37.676 38.000 -0.083 0.000 1.051 86 I HN 0.472 nan 8.210 nan 0.000 0.409 87 S N 1.073 116.717 115.700 -0.094 0.000 2.353 87 S HA -0.203 4.267 4.470 -0.000 0.000 0.222 87 S C 2.111 176.608 174.600 -0.170 0.000 1.035 87 S CA 1.248 59.366 58.200 -0.137 0.000 1.025 87 S CB -0.372 62.722 63.200 -0.177 0.000 0.902 87 S HN 0.252 nan 8.310 nan 0.000 0.440 88 L N 1.824 122.966 121.223 -0.136 0.000 2.013 88 L HA -0.086 4.254 4.340 -0.000 0.000 0.212 88 L C 2.685 179.378 176.870 -0.295 0.000 1.073 88 L CA 2.432 57.137 54.840 -0.225 0.000 0.753 88 L CB -1.769 40.260 42.059 -0.049 0.000 0.890 88 L HN 0.387 nan 8.230 nan 0.000 0.432 89 T N -1.115 113.400 114.554 -0.066 0.000 2.746 89 T HA -0.188 4.162 4.350 -0.000 0.000 0.267 89 T C 1.784 176.466 174.700 -0.029 0.000 1.039 89 T CA 1.170 63.292 62.100 0.037 0.000 1.142 89 T CB -0.110 68.800 68.868 0.070 0.000 0.866 89 T HN 0.339 nan 8.240 nan 0.000 0.444 90 Q N 0.798 120.546 119.800 -0.087 0.000 2.167 90 Q HA 0.040 4.380 4.340 -0.000 0.000 0.202 90 Q C 2.475 178.397 176.000 -0.130 0.000 0.970 90 Q CA 0.907 56.664 55.803 -0.076 0.000 0.855 90 Q CB -0.328 28.364 28.738 -0.077 0.000 0.911 90 Q HN 0.378 nan 8.270 nan 0.000 0.438 91 R N -0.195 120.128 120.500 -0.296 0.000 2.159 91 R HA -0.072 4.268 4.340 -0.000 0.000 0.237 91 R C 1.600 177.740 176.300 -0.268 0.000 1.131 91 R CA 0.874 56.738 56.100 -0.392 0.000 0.982 91 R CB -0.345 29.527 30.300 -0.713 0.000 0.868 91 R HN 0.291 nan 8.270 nan 0.000 0.453 92 F N -0.047 119.915 119.950 0.020 0.000 2.721 92 F HA 0.227 4.754 4.527 -0.000 0.000 0.301 92 F C 0.492 176.310 175.800 0.031 0.000 1.096 92 F CA -1.296 56.722 58.000 0.030 0.000 1.308 92 F CB -0.699 38.325 39.000 0.040 0.000 1.086 92 F HN -0.118 nan 8.300 nan 0.000 0.587 93 N N 2.104 120.899 118.700 0.159 0.000 2.357 93 N HA -0.071 4.669 4.740 -0.000 0.000 0.257 93 N C -0.177 175.390 175.510 0.094 0.000 1.250 93 N CA 0.626 53.740 53.050 0.107 0.000 0.862 93 N CB 0.083 38.608 38.487 0.063 0.000 1.066 93 N HN 0.146 nan 8.380 nan 0.000 0.468 94 D N -0.220 120.230 120.400 0.082 0.000 3.059 94 D HA -0.188 4.452 4.640 -0.000 0.000 0.220 94 D C 0.857 177.202 176.300 0.074 0.000 1.169 94 D CA 1.276 55.315 54.000 0.065 0.000 0.902 94 D CB -1.524 39.306 40.800 0.049 0.000 1.116 94 D HN 0.629 nan 8.370 nan 0.000 0.417 95 S N -1.149 114.614 115.700 0.104 0.000 2.470 95 S HA 0.284 4.753 4.470 -0.000 0.000 0.225 95 S C 1.897 176.537 174.600 0.066 0.000 1.006 95 S CA 1.421 59.686 58.200 0.109 0.000 0.934 95 S CB 0.924 64.234 63.200 0.183 0.000 0.778 95 S HN 0.944 nan 8.310 nan 0.000 0.517 96 G N 1.644 110.475 108.800 0.051 0.000 2.218 96 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.216 96 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.216 96 G C 0.162 175.069 174.900 0.012 0.000 0.994 96 G CA -0.242 44.873 45.100 0.027 0.000 0.637 96 G HN 0.985 nan 8.290 nan 0.000 0.505 97 I N 0.283 120.861 120.570 0.012 0.000 2.892 97 I HA 0.465 4.635 4.170 -0.000 0.000 0.287 97 I C 1.842 177.976 176.117 0.029 0.000 1.205 97 I CA -0.114 61.182 61.300 -0.007 0.000 1.409 97 I CB 1.003 38.976 38.000 -0.045 0.000 1.367 97 I HN 0.354 nan 8.210 nan 0.000 0.597 98 V N 1.471 121.404 119.914 0.031 0.000 3.506 98 V HA 0.620 4.740 4.120 -0.000 0.000 0.263 98 V C 0.820 177.061 176.094 0.244 0.000 1.203 98 V CA 0.703 63.052 62.300 0.082 0.000 1.133 98 V CB -1.070 30.724 31.823 -0.048 0.000 0.802 98 V HN 1.221 nan 8.190 nan 0.000 0.459 99 G N -1.732 107.190 108.800 0.203 0.000 2.356 99 G HA2 0.465 4.425 3.960 -0.000 0.000 0.294 99 G HA3 0.465 4.425 3.960 -0.000 0.000 0.294 99 G C -1.679 173.292 174.900 0.118 0.000 1.423 99 G CA 0.030 45.252 45.100 0.204 0.000 0.806 99 G HN 0.262 nan 8.290 nan 0.000 0.527 100 C N -0.458 118.887 119.300 0.075 0.000 2.563 100 C HA 0.775 5.235 4.460 -0.000 0.000 0.314 100 C C -0.361 174.667 174.990 0.063 0.000 1.199 100 C CA -0.637 58.432 59.018 0.085 0.000 1.564 100 C CB 0.891 28.703 27.740 0.121 0.000 2.173 100 C HN 0.817 nan 8.230 nan 0.000 0.485 101 L N 2.657 123.936 121.223 0.094 0.000 2.298 101 L HA 0.676 5.016 4.340 -0.000 0.000 0.284 101 L C 0.039 177.042 176.870 0.223 0.000 1.013 101 L CA 0.568 55.467 54.840 0.097 0.000 0.824 101 L CB 1.271 43.352 42.059 0.038 0.000 1.221 101 L HN 0.804 nan 8.230 nan 0.000 0.418 102 T N 4.784 119.500 114.554 0.271 0.000 2.864 102 T HA 0.419 4.769 4.350 -0.000 0.000 0.299 102 T C -0.965 174.059 174.700 0.540 0.000 1.011 102 T CA -0.368 61.975 62.100 0.405 0.000 0.975 102 T CB 0.871 69.980 68.868 0.403 0.000 0.962 102 T HN 0.452 nan 8.240 nan 0.000 0.448 103 V N 6.273 126.487 119.914 0.499 0.000 2.732 103 V HA 0.529 4.649 4.120 -0.000 0.000 0.297 103 V C 0.984 177.331 176.094 0.421 0.000 1.060 103 V CA -0.108 62.392 62.300 0.333 0.000 1.038 103 V CB 1.306 33.148 31.823 0.032 0.000 1.003 103 V HN 1.122 nan 8.190 nan 0.000 0.481 104 T N 5.662 120.437 114.554 0.369 0.000 2.933 104 T HA 0.142 4.492 4.350 -0.000 0.000 0.306 104 T C -2.485 172.198 174.700 -0.030 0.000 1.045 104 T CA -0.847 61.378 62.100 0.209 0.000 1.143 104 T CB 0.351 69.315 68.868 0.159 0.000 1.003 104 T HN 0.616 nan 8.240 nan 0.000 0.540 105 P HA 0.054 nan 4.420 nan 0.000 0.261 105 P C -0.681 176.476 177.300 -0.238 0.000 1.165 105 P CA 0.204 63.023 63.100 -0.468 0.000 0.759 105 P CB -0.173 31.167 31.700 -0.601 0.000 0.772 106 Y N 2.075 122.353 120.300 -0.035 0.000 2.387 106 Y HA 0.465 5.015 4.550 -0.000 0.000 0.330 106 Y C 1.325 177.297 175.900 0.120 0.000 1.133 106 Y CA -1.166 56.948 58.100 0.024 0.000 1.152 106 Y CB 0.482 38.962 38.460 0.033 0.000 1.215 106 Y HN 0.536 nan 8.280 nan 0.000 0.466 107 Y N 1.448 121.813 120.300 0.109 0.000 2.768 107 Y HA -0.450 4.100 4.550 -0.000 0.000 0.480 107 Y C 1.285 177.182 175.900 -0.005 0.000 1.271 107 Y CA 2.275 60.412 58.100 0.062 0.000 2.593 107 Y CB -1.488 37.034 38.460 0.103 0.000 0.968 107 Y HN 0.792 nan 8.280 nan 0.000 0.531 108 N N 1.754 120.426 118.700 -0.046 0.000 2.467 108 N HA 0.033 4.772 4.740 -0.000 0.000 0.184 108 N C 0.000 175.429 175.510 -0.134 0.000 1.106 108 N CA 1.105 54.083 53.050 -0.121 0.000 0.892 108 N CB -0.380 38.076 38.487 -0.052 0.000 0.969 108 N HN 0.589 nan 8.380 nan 0.000 0.454 109 R N 0.073 120.503 120.500 -0.117 0.000 3.146 109 R HA -0.096 4.244 4.340 -0.000 0.000 0.250 109 R C -2.060 174.192 176.300 -0.080 0.000 0.912 109 R CA 0.346 56.392 56.100 -0.092 0.000 0.633 109 R CB -1.966 28.274 30.300 -0.099 0.000 1.180 109 R HN 0.473 nan 8.270 nan 0.000 0.464 110 P HA 0.028 nan 4.420 nan 0.000 0.272 110 P C 0.351 177.627 177.300 -0.039 0.000 1.230 110 P CA -0.222 62.833 63.100 -0.076 0.000 0.788 110 P CB 0.713 32.342 31.700 -0.119 0.000 0.949 111 S N 0.948 116.636 115.700 -0.020 0.000 2.617 111 S HA 0.020 4.490 4.470 -0.000 0.000 0.259 111 S C 1.366 175.982 174.600 0.027 0.000 1.301 111 S CA -0.443 57.758 58.200 0.002 0.000 0.984 111 S CB 0.296 63.500 63.200 0.006 0.000 0.954 111 S HN 0.397 nan 8.310 nan 0.000 0.572 112 Q N 0.460 120.284 119.800 0.041 0.000 2.135 112 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 112 Q C 2.049 178.116 176.000 0.111 0.000 0.981 112 Q CA 2.004 57.852 55.803 0.074 0.000 0.856 112 Q CB -0.718 28.051 28.738 0.052 0.000 0.902 112 Q HN 0.945 nan 8.270 nan 0.000 0.425 113 E N 0.276 120.525 120.200 0.081 0.000 2.110 113 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 113 E C 1.962 178.652 176.600 0.151 0.000 0.988 113 E CA 1.485 57.954 56.400 0.116 0.000 0.804 113 E CB -0.688 29.049 29.700 0.062 0.000 0.745 113 E HN 0.363 nan 8.360 nan 0.000 0.458 114 G N 0.823 109.671 108.800 0.080 0.000 2.440 114 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.218 114 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.218 114 G C 1.614 176.538 174.900 0.040 0.000 1.154 114 G CA 0.975 46.100 45.100 0.042 0.000 0.767 114 G HN 0.311 nan 8.290 nan 0.000 0.552 115 L N -0.959 120.299 121.223 0.058 0.000 2.042 115 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 115 L C 2.595 179.609 176.870 0.240 0.000 1.076 115 L CA 1.516 56.407 54.840 0.086 0.000 0.749 115 L CB -0.547 41.631 42.059 0.199 0.000 0.893 115 L HN 0.316 nan 8.230 nan 0.000 0.432 116 Y N 0.779 121.173 120.300 0.156 0.000 2.145 116 Y HA -0.286 4.264 4.550 -0.000 0.000 0.286 116 Y C 2.797 178.783 175.900 0.144 0.000 1.145 116 Y CA 1.636 59.837 58.100 0.168 0.000 1.148 116 Y CB -0.154 38.367 38.460 0.101 0.000 0.981 116 Y HN 0.157 nan 8.280 nan 0.000 0.507 117 Q N -0.922 118.916 119.800 0.064 0.000 2.119 117 Q HA -0.210 4.130 4.340 -0.000 0.000 0.201 117 Q C 2.184 178.151 176.000 -0.056 0.000 0.972 117 Q CA 1.869 57.650 55.803 -0.038 0.000 0.847 117 Q CB -0.811 27.968 28.738 0.068 0.000 0.903 117 Q HN 0.714 nan 8.270 nan 0.000 0.433 118 H N 0.006 118.985 119.070 -0.151 0.000 2.267 118 H HA -0.148 4.408 4.556 0.000 0.000 0.297 118 H C 1.526 176.728 175.328 -0.210 0.000 1.080 118 H CA 2.012 57.911 56.048 -0.248 0.000 1.278 118 H CB -0.188 29.303 29.762 -0.451 0.000 1.365 118 H HN 0.111 nan 8.280 nan 0.000 0.489 119 F N 0.639 120.580 119.950 -0.016 0.000 2.293 119 F HA 0.049 4.576 4.527 0.000 0.000 0.297 119 F C 2.622 178.329 175.800 -0.154 0.000 1.089 119 F CA 1.145 59.096 58.000 -0.082 0.000 1.377 119 F CB -0.378 38.644 39.000 0.036 0.000 1.051 119 F HN 0.164 nan 8.300 nan 0.000 0.511 120 K N 0.563 120.909 120.400 -0.090 0.000 2.026 120 K HA -0.155 4.165 4.320 -0.000 0.000 0.208 120 K C 2.287 178.824 176.600 -0.106 0.000 1.048 120 K CA 1.276 57.446 56.287 -0.196 0.000 0.929 120 K CB -0.288 31.922 32.500 -0.483 0.000 0.713 120 K HN 0.180 nan 8.250 nan 0.000 0.439 121 A N 1.261 124.027 122.820 -0.090 0.000 1.902 121 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 121 A C 2.081 179.689 177.584 0.039 0.000 1.181 121 A CA 1.508 53.540 52.037 -0.008 0.000 0.623 121 A CB -0.571 18.412 19.000 -0.028 0.000 0.818 121 A HN 0.344 nan 8.150 nan 0.000 0.443 122 I N -0.164 120.376 120.570 -0.050 0.000 2.179 122 I HA -0.293 3.877 4.170 -0.000 0.000 0.242 122 I C 2.935 179.070 176.117 0.029 0.000 1.088 122 I CA 1.204 62.494 61.300 -0.015 0.000 1.357 122 I CB -0.301 37.664 38.000 -0.059 0.000 1.051 122 I HN 0.343 nan 8.210 nan 0.000 0.409 123 A N 0.123 122.950 122.820 0.011 0.000 1.969 123 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 123 A C 2.192 179.739 177.584 -0.063 0.000 1.169 123 A CA 1.511 53.543 52.037 -0.008 0.000 0.635 123 A CB -0.560 18.435 19.000 -0.008 0.000 0.810 123 A HN 0.451 nan 8.150 nan 0.000 0.445 124 E N -0.740 119.382 120.200 -0.131 0.000 2.118 124 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 124 E C 0.491 176.794 176.600 -0.494 0.000 0.992 124 E CA 1.063 57.260 56.400 -0.338 0.000 0.804 124 E CB -0.156 29.270 29.700 -0.457 0.000 0.741 124 E HN 0.721 nan 8.360 nan 0.000 0.458 125 H N -0.753 118.307 119.070 -0.018 0.000 2.524 125 H HA 0.261 4.817 4.556 -0.000 0.000 0.297 125 H C -0.216 175.108 175.328 -0.005 0.000 1.115 125 H CA 0.245 56.283 56.048 -0.015 0.000 1.027 125 H CB 0.559 30.306 29.762 -0.026 0.000 1.591 125 H HN -0.049 nan 8.280 nan 0.000 0.543 126 T N -0.543 114.027 114.554 0.028 0.000 2.840 126 T HA 0.100 4.450 4.350 -0.000 0.000 0.317 126 T C -0.196 174.511 174.700 0.013 0.000 1.401 126 T CA -0.580 61.542 62.100 0.036 0.000 1.028 126 T CB 1.728 70.630 68.868 0.057 0.000 1.317 126 T HN 0.028 nan 8.240 nan 0.000 0.495 127 D N 1.606 122.020 120.400 0.023 0.000 2.350 127 D HA 0.209 4.849 4.640 -0.000 0.000 0.213 127 D C 0.737 177.052 176.300 0.025 0.000 1.031 127 D CA 0.225 54.235 54.000 0.017 0.000 0.861 127 D CB 0.241 41.054 40.800 0.021 0.000 0.926 127 D HN 0.443 nan 8.370 nan 0.000 0.520 128 L N 2.255 123.502 121.223 0.040 0.000 2.453 128 L HA 0.127 4.467 4.340 -0.000 0.000 0.272 128 L C -2.057 174.822 176.870 0.014 0.000 1.182 128 L CA -1.459 53.410 54.840 0.048 0.000 0.858 128 L CB 0.083 42.188 42.059 0.076 0.000 1.120 128 L HN -0.302 nan 8.230 nan 0.000 0.474 129 P HA -0.036 nan 4.420 nan 0.000 0.264 129 P C -1.120 176.099 177.300 -0.135 0.000 1.183 129 P CA 0.118 63.143 63.100 -0.124 0.000 0.763 129 P CB 0.409 31.964 31.700 -0.242 0.000 0.807 130 Q N 2.877 122.584 119.800 -0.154 0.000 2.322 130 Q HA 0.451 4.791 4.340 -0.000 0.000 0.265 130 Q C -0.245 175.630 176.000 -0.209 0.000 0.985 130 Q CA -0.421 55.312 55.803 -0.116 0.000 0.849 130 Q CB 1.757 30.469 28.738 -0.044 0.000 1.274 130 Q HN 0.460 nan 8.270 nan 0.000 0.449 131 I N 3.575 124.034 120.570 -0.186 0.000 2.312 131 I HA 0.249 4.419 4.170 -0.000 0.000 0.290 131 I C 0.265 176.312 176.117 -0.116 0.000 1.008 131 I CA -0.527 60.650 61.300 -0.206 0.000 1.226 131 I CB 0.824 38.705 38.000 -0.198 0.000 1.371 131 I HN 0.312 nan 8.210 nan 0.000 0.468 132 L N 5.935 127.058 121.223 -0.166 0.000 2.473 132 L HA 0.158 4.498 4.340 -0.000 0.000 0.268 132 L C -0.686 176.213 176.870 0.048 0.000 1.215 132 L CA -0.022 54.688 54.840 -0.217 0.000 0.823 132 L CB 0.179 42.056 42.059 -0.303 0.000 1.099 132 L HN 0.480 nan 8.230 nan 0.000 0.483 133 Y N 2.305 122.584 120.300 -0.034 0.000 2.315 133 Y HA 0.366 4.917 4.550 0.000 0.000 0.324 133 Y C -1.098 174.872 175.900 0.117 0.000 1.062 133 Y CA -1.851 56.285 58.100 0.060 0.000 1.159 133 Y CB 1.322 39.839 38.460 0.095 0.000 1.145 133 Y HN 0.553 nan 8.280 nan 0.000 0.442 134 N N 4.068 122.967 118.700 0.332 0.000 2.417 134 N HA 0.564 5.304 4.740 -0.000 0.000 0.274 134 N C -1.821 173.756 175.510 0.113 0.000 0.987 134 N CA -0.232 52.911 53.050 0.155 0.000 0.912 134 N CB 1.683 40.263 38.487 0.155 0.000 1.177 134 N HN 0.417 nan 8.380 nan 0.000 0.490 135 V N 6.887 126.793 119.914 -0.014 0.000 2.811 135 V HA 0.355 4.475 4.120 -0.000 0.000 0.266 135 V C -2.072 174.011 176.094 -0.018 0.000 0.872 135 V CA -1.277 61.013 62.300 -0.017 0.000 0.992 135 V CB 1.411 33.193 31.823 -0.069 0.000 1.016 135 V HN 0.605 nan 8.190 nan 0.000 0.496 136 P HA -0.156 nan 4.420 nan 0.000 0.217 136 P C 1.857 179.164 177.300 0.011 0.000 1.148 136 P CA 2.194 65.304 63.100 0.016 0.000 0.828 136 P CB 0.161 31.875 31.700 0.023 0.000 0.783 137 S N -0.908 114.795 115.700 0.005 0.000 2.419 137 S HA -0.111 4.359 4.470 -0.000 0.000 0.233 137 S C 1.902 176.507 174.600 0.008 0.000 1.016 137 S CA 0.844 59.047 58.200 0.004 0.000 0.974 137 S CB -0.722 62.475 63.200 -0.005 0.000 0.786 137 S HN 0.171 nan 8.310 nan 0.000 0.492 138 R N 0.603 121.103 120.500 0.000 0.000 2.189 138 R HA 0.100 4.440 4.340 -0.000 0.000 0.203 138 R C 2.383 178.698 176.300 0.024 0.000 1.012 138 R CA 1.366 57.464 56.100 -0.005 0.000 1.015 138 R CB -0.229 30.045 30.300 -0.042 0.000 0.938 138 R HN 0.734 nan 8.270 nan 0.000 0.472 139 T N -4.027 110.551 114.554 0.041 0.000 3.023 139 T HA 0.187 4.537 4.350 -0.000 0.000 0.249 139 T C 1.454 176.205 174.700 0.086 0.000 1.050 139 T CA 0.603 62.767 62.100 0.106 0.000 1.088 139 T CB 0.831 69.751 68.868 0.087 0.000 0.946 139 T HN 0.297 nan 8.240 nan 0.000 0.480 140 G N 0.641 109.467 108.800 0.044 0.000 2.148 140 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.254 140 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.254 140 G C 0.159 175.061 174.900 0.004 0.000 0.981 140 G CA -0.016 45.094 45.100 0.017 0.000 0.670 140 G HN 1.053 nan 8.290 nan 0.000 0.528 141 C N 0.275 119.584 119.300 0.015 0.000 2.686 141 C HA 0.722 5.182 4.460 -0.000 0.000 0.318 141 C C -1.310 173.699 174.990 0.031 0.000 1.160 141 C CA -0.677 58.349 59.018 0.013 0.000 1.396 141 C CB 1.958 29.701 27.740 0.006 0.000 1.924 141 C HN 0.417 nan 8.230 nan 0.000 0.471 142 D N 4.283 124.705 120.400 0.037 0.000 2.462 142 D HA 0.324 4.964 4.640 -0.000 0.000 0.245 142 D C -0.732 175.609 176.300 0.070 0.000 1.122 142 D CA -0.266 53.765 54.000 0.051 0.000 0.864 142 D CB 1.339 42.161 40.800 0.038 0.000 1.098 142 D HN 0.592 nan 8.370 nan 0.000 0.541 143 L N 5.399 126.682 121.223 0.100 0.000 2.485 143 L HA 0.287 4.627 4.340 -0.000 0.000 0.279 143 L C -0.808 176.120 176.870 0.097 0.000 1.124 143 L CA 0.073 54.988 54.840 0.126 0.000 0.888 143 L CB -0.164 42.002 42.059 0.178 0.000 1.217 143 L HN 0.362 nan 8.230 nan 0.000 0.464 144 L N 7.369 128.638 121.223 0.077 0.000 2.418 144 L HA 0.299 4.639 4.340 -0.000 0.000 0.265 144 L C -1.126 175.772 176.870 0.046 0.000 1.143 144 L CA -1.672 53.200 54.840 0.054 0.000 0.809 144 L CB 0.193 42.273 42.059 0.036 0.000 1.124 144 L HN 0.429 nan 8.230 nan 0.000 0.456 145 P HA -0.215 nan 4.420 nan 0.000 0.216 145 P C 1.537 178.832 177.300 -0.009 0.000 1.153 145 P CA 0.991 64.098 63.100 0.011 0.000 0.858 145 P CB 0.209 31.909 31.700 0.001 0.000 0.789 146 E N -0.833 119.363 120.200 -0.007 0.000 2.070 146 E HA -0.219 4.131 4.350 -0.000 0.000 0.197 146 E C 1.852 178.444 176.600 -0.013 0.000 1.004 146 E CA 2.248 58.637 56.400 -0.019 0.000 0.805 146 E CB -1.689 28.001 29.700 -0.017 0.000 0.744 146 E HN 0.368 nan 8.360 nan 0.000 0.451 147 T N -0.117 114.450 114.554 0.022 0.000 2.942 147 T HA -0.027 4.323 4.350 -0.000 0.000 0.265 147 T C 1.997 176.746 174.700 0.082 0.000 1.062 147 T CA 1.070 63.209 62.100 0.066 0.000 1.139 147 T CB -0.206 68.730 68.868 0.113 0.000 0.883 147 T HN 0.247 nan 8.240 nan 0.000 0.468 148 V N 1.796 121.735 119.914 0.042 0.000 2.343 148 V HA -0.119 4.001 4.120 -0.000 0.000 0.247 148 V C 2.895 178.921 176.094 -0.112 0.000 1.051 148 V CA 1.993 64.292 62.300 -0.002 0.000 1.036 148 V CB -1.429 30.396 31.823 0.003 0.000 0.654 148 V HN 0.579 nan 8.190 nan 0.000 0.451 149 G N -0.456 108.275 108.800 -0.115 0.000 2.446 149 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.217 149 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.217 149 G C 1.766 176.611 174.900 -0.091 0.000 1.168 149 G CA 0.702 45.713 45.100 -0.150 0.000 0.771 149 G HN 0.344 nan 8.290 nan 0.000 0.551 150 R N -0.283 120.201 120.500 -0.027 0.000 2.080 150 R HA 0.035 4.375 4.340 -0.000 0.000 0.236 150 R C 2.727 179.124 176.300 0.162 0.000 1.137 150 R CA 1.103 57.219 56.100 0.026 0.000 0.943 150 R CB -0.638 29.640 30.300 -0.038 0.000 0.846 150 R HN 0.377 nan 8.270 nan 0.000 0.431 151 L N 0.052 121.392 121.223 0.195 0.000 2.131 151 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 151 L C 2.531 179.454 176.870 0.088 0.000 1.092 151 L CA 1.057 56.009 54.840 0.187 0.000 0.759 151 L CB -0.455 41.698 42.059 0.157 0.000 0.903 151 L HN 0.209 nan 8.230 nan 0.000 0.435 152 A N -0.143 122.659 122.820 -0.030 0.000 2.125 152 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 152 A C 2.203 179.786 177.584 -0.002 0.000 1.156 152 A CA 1.301 53.282 52.037 -0.094 0.000 0.671 152 A CB -0.307 18.325 19.000 -0.614 0.000 0.794 152 A HN 0.346 nan 8.150 nan 0.000 0.459 153 K N -0.411 119.996 120.400 0.012 0.000 2.365 153 K HA 0.085 4.405 4.320 -0.000 0.000 0.199 153 K C -0.015 176.615 176.600 0.051 0.000 1.045 153 K CA 0.142 56.447 56.287 0.030 0.000 0.962 153 K CB -0.022 32.499 32.500 0.034 0.000 0.759 153 K HN 0.293 nan 8.250 nan 0.000 0.469 154 V N 2.019 121.972 119.914 0.066 0.000 2.521 154 V HA -0.100 4.020 4.120 -0.000 0.000 0.286 154 V C 1.479 177.597 176.094 0.040 0.000 1.034 154 V CA 0.119 62.447 62.300 0.046 0.000 1.045 154 V CB 1.270 33.112 31.823 0.032 0.000 0.974 154 V HN 0.131 nan 8.190 nan 0.000 0.480 155 K N 4.932 125.345 120.400 0.022 0.000 2.034 155 K HA -0.224 4.096 4.320 -0.000 0.000 0.214 155 K C 1.391 177.998 176.600 0.013 0.000 1.051 155 K CA 2.504 58.802 56.287 0.018 0.000 0.931 155 K CB -0.885 31.618 32.500 0.006 0.000 0.715 155 K HN 1.031 nan 8.250 nan 0.000 0.446 156 N N -0.647 118.052 118.700 -0.002 0.000 2.314 156 N HA 0.151 4.891 4.740 -0.000 0.000 0.200 156 N C 0.104 175.591 175.510 -0.038 0.000 1.135 156 N CA -0.142 52.894 53.050 -0.024 0.000 0.835 156 N CB -0.046 38.428 38.487 -0.023 0.000 0.989 156 N HN 0.311 nan 8.380 nan 0.000 0.478 157 I N 1.921 122.494 120.570 0.005 0.000 2.291 157 I HA 0.154 4.324 4.170 -0.000 0.000 0.292 157 I C 0.539 176.697 176.117 0.069 0.000 1.064 157 I CA -0.617 60.695 61.300 0.021 0.000 1.269 157 I CB 0.822 38.867 38.000 0.075 0.000 1.418 157 I HN 0.296 nan 8.210 nan 0.000 0.485 158 I N 2.276 122.739 120.570 -0.178 0.000 4.240 158 I HA 0.634 4.804 4.170 -0.000 0.000 0.331 158 I C 0.622 176.136 176.117 -1.005 0.000 1.381 158 I CA -0.192 60.889 61.300 -0.365 0.000 1.136 158 I CB 0.671 38.444 38.000 -0.377 0.000 1.137 158 I HN 0.482 nan 8.210 nan 0.000 0.411 159 G N 1.003 109.073 108.800 -1.215 0.000 2.495 159 G HA2 0.614 4.574 3.960 -0.000 0.000 0.294 159 G HA3 0.614 4.574 3.960 -0.000 0.000 0.294 159 G C -2.203 172.306 174.900 -0.652 0.000 1.397 159 G CA -0.562 43.700 45.100 -1.397 0.000 0.790 159 G HN 0.143 nan 8.290 nan 0.000 0.486 160 I N -0.256 120.134 120.570 -0.300 0.000 2.656 160 I HA 0.586 4.756 4.170 -0.000 0.000 0.292 160 I C -0.732 175.390 176.117 0.010 0.000 1.144 160 I CA -0.996 60.295 61.300 -0.014 0.000 1.038 160 I CB 2.124 40.249 38.000 0.208 0.000 1.244 160 I HN 0.457 nan 8.210 nan 0.000 0.420 161 K N 6.399 126.791 120.400 -0.013 0.000 2.263 161 K HA 0.213 4.533 4.320 -0.000 0.000 0.282 161 K C -0.646 175.998 176.600 0.073 0.000 1.089 161 K CA -0.329 55.916 56.287 -0.070 0.000 0.907 161 K CB 0.596 32.916 32.500 -0.300 0.000 1.148 161 K HN 0.421 nan 8.250 nan 0.000 0.470 162 E N 3.564 123.790 120.200 0.042 0.000 2.035 162 E HA 0.209 4.559 4.350 -0.000 0.000 0.271 162 E C -0.613 176.005 176.600 0.030 0.000 0.953 162 E CA -0.157 56.322 56.400 0.132 0.000 0.777 162 E CB 1.511 31.398 29.700 0.311 0.000 1.104 162 E HN 0.711 nan 8.360 nan 0.000 0.408 163 A N 3.062 125.942 122.820 0.100 0.000 2.500 163 A HA 0.034 4.354 4.320 -0.000 0.000 0.267 163 A C 1.592 179.198 177.584 0.036 0.000 1.290 163 A CA 0.388 52.458 52.037 0.055 0.000 0.928 163 A CB -0.233 18.870 19.000 0.173 0.000 1.066 163 A HN 0.546 nan 8.150 nan 0.000 0.516 164 T N -3.644 110.946 114.554 0.061 0.000 2.915 164 T HA 0.183 4.533 4.350 -0.000 0.000 0.269 164 T C 1.739 176.451 174.700 0.021 0.000 1.071 164 T CA 1.340 63.467 62.100 0.045 0.000 1.132 164 T CB -0.505 68.401 68.868 0.064 0.000 0.878 164 T HN 1.597 nan 8.240 nan 0.000 0.479 165 G N 1.690 110.507 108.800 0.029 0.000 2.175 165 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.265 165 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.265 165 G C 0.060 174.990 174.900 0.049 0.000 0.979 165 G CA 0.201 45.316 45.100 0.025 0.000 0.663 165 G HN 0.813 nan 8.290 nan 0.000 0.533 166 N N 0.530 119.270 118.700 0.066 0.000 2.469 166 N HA 0.437 5.177 4.740 -0.000 0.000 0.239 166 N C 1.558 177.109 175.510 0.068 0.000 1.053 166 N CA -0.464 52.617 53.050 0.052 0.000 0.937 166 N CB 0.436 38.948 38.487 0.042 0.000 1.163 166 N HN 0.212 nan 8.380 nan 0.000 0.509 167 L N 1.838 123.088 121.223 0.045 0.000 2.376 167 L HA -0.084 4.256 4.340 -0.000 0.000 0.219 167 L C 2.160 179.001 176.870 -0.049 0.000 1.133 167 L CA 1.028 55.876 54.840 0.014 0.000 0.816 167 L CB -0.493 41.566 42.059 -0.000 0.000 0.933 167 L HN 0.588 nan 8.230 nan 0.000 0.449 168 T N -3.213 111.324 114.554 -0.028 0.000 2.929 168 T HA -0.167 4.183 4.350 -0.000 0.000 0.271 168 T C 2.006 176.680 174.700 -0.044 0.000 1.085 168 T CA 0.546 62.622 62.100 -0.040 0.000 1.125 168 T CB -0.228 68.626 68.868 -0.023 0.000 0.874 168 T HN 0.184 nan 8.240 nan 0.000 0.494 169 R N 0.939 121.428 120.500 -0.018 0.000 2.120 169 R HA 0.046 4.386 4.340 -0.000 0.000 0.234 169 R C 2.506 178.773 176.300 -0.055 0.000 1.123 169 R CA 0.780 56.880 56.100 -0.000 0.000 0.975 169 R CB -1.402 28.940 30.300 0.070 0.000 0.866 169 R HN 0.434 nan 8.270 nan 0.000 0.446 170 V N 2.188 121.997 119.914 -0.176 0.000 2.231 170 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 170 V C 1.956 177.943 176.094 -0.178 0.000 1.054 170 V CA 2.040 64.142 62.300 -0.331 0.000 1.015 170 V CB -0.442 31.026 31.823 -0.591 0.000 0.638 170 V HN 0.364 nan 8.190 nan 0.000 0.444 171 N N -0.820 117.794 118.700 -0.144 0.000 2.416 171 N HA -0.066 4.674 4.740 -0.000 0.000 0.177 171 N C 1.915 177.388 175.510 -0.061 0.000 1.036 171 N CA 0.577 53.570 53.050 -0.095 0.000 0.901 171 N CB 0.005 38.437 38.487 -0.092 0.000 0.976 171 N HN 0.606 nan 8.380 nan 0.000 0.444 172 Q N 0.706 120.474 119.800 -0.053 0.000 2.084 172 Q HA -0.045 4.295 4.340 -0.000 0.000 0.202 172 Q C 1.980 177.960 176.000 -0.033 0.000 0.978 172 Q CA 1.080 56.862 55.803 -0.035 0.000 0.844 172 Q CB 0.034 28.758 28.738 -0.023 0.000 0.898 172 Q HN 0.387 nan 8.270 nan 0.000 0.426 173 I N 0.431 120.986 120.570 -0.025 0.000 2.233 173 I HA -0.238 3.932 4.170 -0.000 0.000 0.243 173 I C 2.470 178.565 176.117 -0.035 0.000 1.093 173 I CA 0.902 62.189 61.300 -0.022 0.000 1.380 173 I CB -0.229 37.795 38.000 0.040 0.000 1.067 173 I HN 0.114 nan 8.210 nan 0.000 0.413 174 K N 1.385 121.778 120.400 -0.012 0.000 2.113 174 K HA -0.268 4.052 4.320 -0.000 0.000 0.208 174 K C 2.178 178.768 176.600 -0.016 0.000 1.047 174 K CA 2.134 58.426 56.287 0.008 0.000 0.928 174 K CB -0.120 32.377 32.500 -0.004 0.000 0.716 174 K HN 0.382 nan 8.250 nan 0.000 0.446 175 E N 0.750 120.931 120.200 -0.032 0.000 2.265 175 E HA -0.105 4.245 4.350 -0.000 0.000 0.196 175 E C 1.742 178.314 176.600 -0.046 0.000 0.996 175 E CA 1.350 57.730 56.400 -0.033 0.000 0.832 175 E CB -0.485 29.194 29.700 -0.034 0.000 0.756 175 E HN 0.430 nan 8.360 nan 0.000 0.491 176 L N -0.375 120.806 121.223 -0.069 0.000 2.640 176 L HA 0.252 4.592 4.340 -0.000 0.000 0.230 176 L C 0.584 177.370 176.870 -0.139 0.000 1.123 176 L CA 0.030 54.815 54.840 -0.092 0.000 0.900 176 L CB 1.057 43.058 42.059 -0.097 0.000 1.146 176 L HN 0.358 nan 8.230 nan 0.000 0.484 177 V N -4.544 115.277 119.914 -0.154 0.000 3.126 177 V HA 0.671 4.791 4.120 -0.000 0.000 0.314 177 V C 0.257 176.306 176.094 -0.075 0.000 1.138 177 V CA -0.859 61.309 62.300 -0.220 0.000 1.034 177 V CB 1.571 33.075 31.823 -0.533 0.000 1.075 177 V HN 0.125 nan 8.190 nan 0.000 0.442 178 S N 0.016 115.697 115.700 -0.032 0.000 2.600 178 S HA 0.211 4.681 4.470 -0.000 0.000 0.265 178 S C 0.493 175.146 174.600 0.087 0.000 1.325 178 S CA 0.204 58.424 58.200 0.032 0.000 1.002 178 S CB 0.686 63.911 63.200 0.043 0.000 0.921 178 S HN 0.808 nan 8.310 nan 0.000 0.554 179 D N 0.551 120.993 120.400 0.071 0.000 2.265 179 D HA -0.060 4.580 4.640 -0.000 0.000 0.208 179 D C 0.898 177.243 176.300 0.075 0.000 0.977 179 D CA 1.062 55.112 54.000 0.084 0.000 0.871 179 D CB -0.299 40.536 40.800 0.060 0.000 0.925 179 D HN 0.572 nan 8.370 nan 0.000 0.485 180 D N -0.706 119.734 120.400 0.067 0.000 2.323 180 D HA -0.047 4.593 4.640 -0.000 0.000 0.209 180 D C 0.375 176.686 176.300 0.018 0.000 0.973 180 D CA -0.056 53.959 54.000 0.025 0.000 0.874 180 D CB -0.112 40.709 40.800 0.035 0.000 0.930 180 D HN 0.176 nan 8.370 nan 0.000 0.521 181 F N 1.610 121.522 119.950 -0.063 0.000 2.495 181 F HA 0.117 4.644 4.527 -0.000 0.000 0.365 181 F C 0.161 175.916 175.800 -0.075 0.000 1.090 181 F CA -0.448 57.518 58.000 -0.057 0.000 1.235 181 F CB 0.688 39.680 39.000 -0.013 0.000 1.119 181 F HN -0.380 nan 8.300 nan 0.000 0.562 182 V N 7.161 126.796 119.914 -0.466 0.000 2.465 182 V HA 0.227 4.347 4.120 -0.000 0.000 0.279 182 V C -0.394 175.696 176.094 -0.007 0.000 1.045 182 V CA -0.740 61.408 62.300 -0.253 0.000 0.938 182 V CB 1.185 32.859 31.823 -0.248 0.000 0.986 182 V HN 0.392 nan 8.190 nan 0.000 0.467 183 L N 6.673 128.176 121.223 0.466 0.000 2.294 183 L HA 0.588 4.928 4.340 -0.000 0.000 0.283 183 L C -0.348 176.806 176.870 0.475 0.000 1.015 183 L CA -0.182 54.919 54.840 0.434 0.000 0.831 183 L CB 1.041 43.320 42.059 0.366 0.000 1.217 183 L HN 0.458 nan 8.230 nan 0.000 0.420 184 L N 1.499 122.880 121.223 0.262 0.000 2.362 184 L HA 0.524 4.864 4.340 -0.000 0.000 0.275 184 L C 0.529 177.132 176.870 -0.445 0.000 0.998 184 L CA -0.511 54.333 54.840 0.007 0.000 0.820 184 L CB 2.145 44.179 42.059 -0.043 0.000 1.270 184 L HN 0.564 nan 8.230 nan 0.000 0.415 185 S N 1.142 116.314 115.700 -0.881 0.000 2.564 185 S HA 0.362 4.832 4.470 -0.000 0.000 0.278 185 S C 0.800 175.092 174.600 -0.514 0.000 1.333 185 S CA 0.028 57.520 58.200 -1.180 0.000 1.048 185 S CB 0.947 63.542 63.200 -1.008 0.000 0.900 185 S HN 0.813 nan 8.310 nan 0.000 0.505 186 G N 2.422 110.991 108.800 -0.384 0.000 3.774 186 G HA2 0.263 4.223 3.960 -0.000 0.000 0.287 186 G HA3 0.263 4.223 3.960 -0.000 0.000 0.287 186 G C -0.623 174.189 174.900 -0.147 0.000 1.030 186 G CA -0.348 44.632 45.100 -0.200 0.000 0.824 186 G HN 0.688 nan 8.290 nan 0.000 0.518 187 D N -0.310 119.966 120.400 -0.208 0.000 2.358 187 D HA 0.214 4.854 4.640 -0.000 0.000 0.253 187 D C 0.695 176.868 176.300 -0.211 0.000 1.288 187 D CA -0.518 53.366 54.000 -0.194 0.000 0.950 187 D CB 1.054 41.758 40.800 -0.161 0.000 1.197 187 D HN -0.129 nan 8.370 nan 0.000 0.550 188 D N 2.368 122.656 120.400 -0.187 0.000 2.133 188 D HA -0.206 4.434 4.640 -0.000 0.000 0.195 188 D C 1.724 177.685 176.300 -0.565 0.000 0.997 188 D CA 1.294 55.103 54.000 -0.317 0.000 0.840 188 D CB 0.255 40.997 40.800 -0.098 0.000 0.947 188 D HN 0.553 nan 8.370 nan 0.000 0.452 189 A N 0.666 123.314 122.820 -0.285 0.000 2.015 189 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 189 A C 2.114 179.638 177.584 -0.100 0.000 1.163 189 A CA 1.787 53.739 52.037 -0.143 0.000 0.646 189 A CB -0.116 18.878 19.000 -0.009 0.000 0.806 189 A HN 0.295 nan 8.150 nan 0.000 0.448 190 S N -1.644 113.994 115.700 -0.103 0.000 2.568 190 S HA 0.546 5.016 4.470 -0.000 0.000 0.232 190 S C 1.508 176.106 174.600 -0.003 0.000 0.975 190 S CA 0.536 58.719 58.200 -0.028 0.000 0.949 190 S CB 0.239 63.443 63.200 0.006 0.000 0.829 190 S HN 0.658 nan 8.310 nan 0.000 0.479 191 A N 1.957 124.723 122.820 -0.090 0.000 1.930 191 A HA 0.113 4.433 4.320 -0.000 0.000 0.217 191 A C 2.043 179.665 177.584 0.064 0.000 1.175 191 A CA 1.334 53.330 52.037 -0.069 0.000 0.627 191 A CB -0.676 18.227 19.000 -0.162 0.000 0.815 191 A HN 0.527 nan 8.150 nan 0.000 0.443 192 L N 0.123 121.379 121.223 0.054 0.000 2.056 192 L HA -0.121 4.219 4.340 -0.000 0.000 0.207 192 L C 1.599 178.518 176.870 0.083 0.000 1.078 192 L CA 2.393 57.296 54.840 0.105 0.000 0.749 192 L CB -0.738 41.394 42.059 0.121 0.000 0.901 192 L HN 0.312 nan 8.230 nan 0.000 0.433 193 D N -0.702 119.729 120.400 0.052 0.000 2.116 193 D HA -0.278 4.362 4.640 -0.000 0.000 0.193 193 D C 2.048 178.362 176.300 0.022 0.000 0.998 193 D CA 1.698 55.700 54.000 0.003 0.000 0.836 193 D CB -0.442 40.366 40.800 0.014 0.000 0.951 193 D HN 0.398 nan 8.370 nan 0.000 0.449 194 F N 0.875 120.787 119.950 -0.064 0.000 2.095 194 F HA -0.203 4.324 4.527 -0.000 0.000 0.298 194 F C 2.437 178.197 175.800 -0.067 0.000 1.104 194 F CA 1.452 59.416 58.000 -0.059 0.000 1.232 194 F CB -0.198 38.777 39.000 -0.042 0.000 0.987 194 F HN -0.122 nan 8.300 nan 0.000 0.475 195 M N -0.511 119.236 119.600 0.246 0.000 2.175 195 M HA -0.241 4.239 4.480 -0.000 0.000 0.264 195 M C 2.313 178.630 176.300 0.027 0.000 1.063 195 M CA 1.813 57.204 55.300 0.152 0.000 1.119 195 M CB -0.632 32.094 32.600 0.210 0.000 1.377 195 M HN 0.265 nan 8.290 nan 0.000 0.415 196 Q N 0.901 120.627 119.800 -0.123 0.000 2.170 196 Q HA -0.124 4.216 4.340 -0.000 0.000 0.203 196 Q C 1.724 177.484 176.000 -0.399 0.000 0.976 196 Q CA 1.118 56.560 55.803 -0.603 0.000 0.858 196 Q CB -0.029 28.189 28.738 -0.867 0.000 0.907 196 Q HN 0.527 nan 8.270 nan 0.000 0.433 197 L N -1.522 119.539 121.223 -0.271 0.000 2.552 197 L HA 0.101 4.441 4.340 -0.000 0.000 0.227 197 L C 1.293 178.024 176.870 -0.232 0.000 1.146 197 L CA 0.734 55.425 54.840 -0.248 0.000 0.858 197 L CB 0.271 42.171 42.059 -0.265 0.000 0.969 197 L HN 0.544 nan 8.230 nan 0.000 0.451 198 G N -1.395 107.270 108.800 -0.225 0.000 2.672 198 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.197 198 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.197 198 G C 0.610 175.271 174.900 -0.399 0.000 0.995 198 G CA -0.405 44.552 45.100 -0.238 0.000 0.754 198 G HN 0.395 nan 8.290 nan 0.000 0.505 199 G N -0.607 107.982 108.800 -0.352 0.000 2.614 199 G HA2 0.419 4.379 3.960 -0.000 0.000 0.239 199 G HA3 0.419 4.379 3.960 -0.000 0.000 0.239 199 G C 0.302 175.088 174.900 -0.191 0.000 1.240 199 G CA 0.335 45.324 45.100 -0.186 0.000 0.842 199 G HN 0.460 nan 8.290 nan 0.000 0.584 200 H N -0.350 118.844 119.070 0.206 0.000 2.652 200 H HA 0.420 4.976 4.556 -0.000 0.000 0.274 200 H C 1.245 176.638 175.328 0.109 0.000 1.021 200 H CA 0.608 56.734 56.048 0.129 0.000 1.187 200 H CB 0.956 30.777 29.762 0.098 0.000 1.505 200 H HN 0.900 nan 8.280 nan 0.000 0.530 201 G N -0.446 108.474 108.800 0.200 0.000 2.344 201 G HA2 0.283 4.243 3.960 -0.000 0.000 0.282 201 G HA3 0.283 4.243 3.960 -0.000 0.000 0.282 201 G C -1.951 172.968 174.900 0.032 0.000 1.281 201 G CA -0.080 45.087 45.100 0.111 0.000 0.877 201 G HN 0.173 nan 8.290 nan 0.000 0.494 202 V N -0.112 119.789 119.914 -0.021 0.000 2.891 202 V HA 0.669 4.789 4.120 -0.000 0.000 0.304 202 V C -1.177 174.865 176.094 -0.087 0.000 1.171 202 V CA -0.810 61.429 62.300 -0.102 0.000 0.943 202 V CB 1.665 33.431 31.823 -0.094 0.000 1.037 202 V HN 0.809 nan 8.190 nan 0.000 0.427 203 I N 5.691 126.182 120.570 -0.132 0.000 2.291 203 I HA 0.436 4.606 4.170 -0.000 0.000 0.290 203 I C 0.253 176.317 176.117 -0.089 0.000 1.050 203 I CA 0.220 61.449 61.300 -0.118 0.000 1.245 203 I CB 1.463 39.357 38.000 -0.176 0.000 1.405 203 I HN 0.647 nan 8.210 nan 0.000 0.478 204 S N 4.631 120.307 115.700 -0.040 0.000 2.472 204 S HA 0.418 4.888 4.470 -0.000 0.000 0.303 204 S C 0.755 175.389 174.600 0.056 0.000 1.099 204 S CA -0.699 57.511 58.200 0.016 0.000 1.077 204 S CB 1.840 65.064 63.200 0.040 0.000 1.031 204 S HN 0.353 nan 8.310 nan 0.000 0.487 205 V N 4.476 124.460 119.914 0.117 0.000 2.379 205 V HA -0.056 4.064 4.120 -0.000 0.000 0.243 205 V C 2.525 178.688 176.094 0.116 0.000 1.035 205 V CA 2.132 64.501 62.300 0.115 0.000 1.035 205 V CB -1.115 30.802 31.823 0.155 0.000 0.673 205 V HN 0.958 nan 8.190 nan 0.000 0.457 206 T N 1.056 115.718 114.554 0.179 0.000 2.737 206 T HA -0.245 4.105 4.350 -0.000 0.000 0.269 206 T C 2.008 176.809 174.700 0.167 0.000 1.040 206 T CA 1.684 63.897 62.100 0.189 0.000 1.142 206 T CB -0.515 68.551 68.868 0.329 0.000 0.861 206 T HN 0.557 nan 8.240 nan 0.000 0.456 207 A N 2.095 125.015 122.820 0.167 0.000 2.139 207 A HA -0.197 4.123 4.320 -0.000 0.000 0.221 207 A C 2.206 179.976 177.584 0.311 0.000 1.159 207 A CA 1.322 53.474 52.037 0.193 0.000 0.662 207 A CB -0.643 18.437 19.000 0.133 0.000 0.796 207 A HN 0.490 nan 8.150 nan 0.000 0.463 208 N N -0.233 118.615 118.700 0.246 0.000 2.223 208 N HA -0.137 4.603 4.740 -0.000 0.000 0.185 208 N C 1.516 177.174 175.510 0.247 0.000 1.016 208 N CA 2.158 55.383 53.050 0.291 0.000 0.863 208 N CB 0.008 38.577 38.487 0.136 0.000 0.983 208 N HN 0.627 nan 8.380 nan 0.000 0.429 209 V N -4.171 115.843 119.914 0.168 0.000 3.502 209 V HA 0.573 4.693 4.120 -0.000 0.000 0.288 209 V C 0.662 176.847 176.094 0.151 0.000 1.461 209 V CA 0.134 62.483 62.300 0.082 0.000 1.029 209 V CB 0.549 32.373 31.823 0.000 0.000 0.843 209 V HN 0.069 nan 8.190 nan 0.000 0.438 210 A N 0.205 123.133 122.820 0.181 0.000 3.129 210 A HA 0.883 5.203 4.320 -0.000 0.000 0.282 210 A C 1.448 179.108 177.584 0.127 0.000 0.948 210 A CA 0.461 52.583 52.037 0.141 0.000 1.027 210 A CB 0.307 19.362 19.000 0.092 0.000 1.123 210 A HN 0.735 nan 8.150 nan 0.000 0.485 211 A N 0.686 123.581 122.820 0.126 0.000 1.902 211 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 211 A C 2.124 179.678 177.584 -0.050 0.000 1.181 211 A CA 1.769 53.799 52.037 -0.013 0.000 0.623 211 A CB -0.378 18.403 19.000 -0.365 0.000 0.818 211 A HN 0.634 nan 8.150 nan 0.000 0.443 212 R N -0.575 119.878 120.500 -0.078 0.000 2.066 212 R HA -0.157 4.183 4.340 -0.000 0.000 0.232 212 R C 1.507 177.805 176.300 -0.003 0.000 1.131 212 R CA 1.796 57.864 56.100 -0.053 0.000 0.955 212 R CB -0.352 29.916 30.300 -0.052 0.000 0.851 212 R HN 0.407 nan 8.270 nan 0.000 0.432 213 D N 0.054 120.467 120.400 0.022 0.000 2.144 213 D HA -0.164 4.476 4.640 -0.000 0.000 0.199 213 D C 1.908 178.242 176.300 0.057 0.000 0.984 213 D CA 1.132 55.156 54.000 0.039 0.000 0.834 213 D CB -0.021 40.807 40.800 0.047 0.000 0.955 213 D HN 0.216 nan 8.370 nan 0.000 0.465 214 M N 0.344 119.985 119.600 0.068 0.000 2.117 214 M HA -0.057 4.423 4.480 -0.000 0.000 0.262 214 M C 2.295 178.630 176.300 0.058 0.000 1.065 214 M CA 0.795 56.146 55.300 0.085 0.000 1.114 214 M CB -1.030 31.632 32.600 0.104 0.000 1.361 214 M HN -0.035 nan 8.290 nan 0.000 0.408 215 A N -0.275 122.565 122.820 0.033 0.000 1.877 215 A HA -0.241 4.079 4.320 -0.000 0.000 0.216 215 A C 2.114 179.711 177.584 0.022 0.000 1.186 215 A CA 2.101 54.148 52.037 0.017 0.000 0.620 215 A CB -0.781 18.214 19.000 -0.009 0.000 0.822 215 A HN 0.498 nan 8.150 nan 0.000 0.443 216 Q N -0.616 119.198 119.800 0.023 0.000 2.079 216 Q HA -0.134 4.206 4.340 -0.000 0.000 0.200 216 Q C 2.057 178.082 176.000 0.043 0.000 0.974 216 Q CA 2.139 57.958 55.803 0.026 0.000 0.840 216 Q CB -0.397 28.354 28.738 0.022 0.000 0.898 216 Q HN 0.662 nan 8.270 nan 0.000 0.430 217 M N -0.910 118.725 119.600 0.058 0.000 2.080 217 M HA -0.223 4.257 4.480 -0.000 0.000 0.260 217 M C 1.895 178.241 176.300 0.077 0.000 1.068 217 M CA 1.942 57.289 55.300 0.079 0.000 1.109 217 M CB -0.258 32.404 32.600 0.104 0.000 1.342 217 M HN 0.436 nan 8.290 nan 0.000 0.405 218 C N 0.214 119.555 119.300 0.069 0.000 2.435 218 C HA -0.112 4.348 4.460 -0.000 0.000 0.279 218 C C 2.668 177.686 174.990 0.047 0.000 1.321 218 C CA 1.126 60.184 59.018 0.068 0.000 1.752 218 C CB -1.078 26.698 27.740 0.059 0.000 1.959 218 C HN 0.602 nan 8.230 nan 0.000 0.500 219 K N 0.797 121.217 120.400 0.033 0.000 2.057 219 K HA -0.076 4.244 4.320 -0.000 0.000 0.206 219 K C 1.915 178.517 176.600 0.002 0.000 1.050 219 K CA 1.212 57.509 56.287 0.017 0.000 0.935 219 K CB -0.229 32.282 32.500 0.017 0.000 0.715 219 K HN 0.425 nan 8.250 nan 0.000 0.439 220 L N 0.632 121.868 121.223 0.022 0.000 2.042 220 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 220 L C 2.642 179.439 176.870 -0.123 0.000 1.076 220 L CA 1.352 56.204 54.840 0.019 0.000 0.749 220 L CB -0.562 41.533 42.059 0.061 0.000 0.893 220 L HN 0.310 nan 8.230 nan 0.000 0.432 221 A N -0.025 122.761 122.820 -0.057 0.000 1.877 221 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 221 A C 2.534 180.038 177.584 -0.133 0.000 1.186 221 A CA 1.716 53.716 52.037 -0.062 0.000 0.620 221 A CB -0.784 18.330 19.000 0.191 0.000 0.822 221 A HN 0.398 nan 8.150 nan 0.000 0.443 222 A N -0.188 122.602 122.820 -0.050 0.000 1.978 222 A HA -0.173 4.147 4.320 -0.000 0.000 0.220 222 A C 1.789 179.286 177.584 -0.145 0.000 1.170 222 A CA 1.683 53.697 52.037 -0.039 0.000 0.636 222 A CB -0.474 18.531 19.000 0.008 0.000 0.810 222 A HN 0.657 nan 8.150 nan 0.000 0.448 223 E N -1.718 118.327 120.200 -0.258 0.000 2.502 223 E HA 0.272 4.622 4.350 -0.000 0.000 0.194 223 E C 1.108 177.247 176.600 -0.768 0.000 1.062 223 E CA 0.285 56.432 56.400 -0.422 0.000 0.867 223 E CB -0.059 29.414 29.700 -0.377 0.000 0.888 223 E HN 0.740 nan 8.360 nan 0.000 0.510 224 G N 1.582 109.886 108.800 -0.827 0.000 2.141 224 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.242 224 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.242 224 G C -0.146 174.087 174.900 -1.113 0.000 0.982 224 G CA 0.004 44.437 45.100 -1.111 0.000 0.662 224 G HN 0.504 nan 8.290 nan 0.000 0.527 225 H N -0.028 118.659 119.070 -0.638 0.000 2.680 225 H HA 0.444 5.000 4.556 -0.000 0.000 0.224 225 H C 1.275 176.442 175.328 -0.268 0.000 1.866 225 H CA -0.823 55.028 56.048 -0.329 0.000 1.302 225 H CB -0.131 29.527 29.762 -0.174 0.000 1.709 225 H HN 0.273 nan 8.280 nan 0.000 0.537 226 F N 0.813 120.822 119.950 0.098 0.000 2.146 226 F HA -0.133 4.394 4.527 0.000 0.000 0.298 226 F C 2.490 178.332 175.800 0.069 0.000 1.096 226 F CA 0.891 58.930 58.000 0.066 0.000 1.275 226 F CB -0.470 38.554 39.000 0.039 0.000 1.008 226 F HN 0.515 nan 8.300 nan 0.000 0.480 227 A N 0.059 123.015 122.820 0.227 0.000 1.902 227 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 227 A C 2.048 179.697 177.584 0.108 0.000 1.181 227 A CA 1.836 53.959 52.037 0.144 0.000 0.623 227 A CB -0.697 18.367 19.000 0.108 0.000 0.818 227 A HN 0.322 nan 8.150 nan 0.000 0.443 228 E N 0.131 120.386 120.200 0.092 0.000 2.051 228 E HA -0.014 4.336 4.350 -0.000 0.000 0.192 228 E C 2.256 178.904 176.600 0.079 0.000 0.991 228 E CA 1.365 57.803 56.400 0.062 0.000 0.799 228 E CB -0.513 29.206 29.700 0.033 0.000 0.748 228 E HN 0.564 nan 8.360 nan 0.000 0.449 229 A N 0.794 123.677 122.820 0.105 0.000 1.933 229 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 229 A C 2.153 179.814 177.584 0.129 0.000 1.175 229 A CA 1.821 53.929 52.037 0.118 0.000 0.628 229 A CB -0.483 18.606 19.000 0.148 0.000 0.814 229 A HN 0.114 nan 8.150 nan 0.000 0.444 230 R N -0.512 120.072 120.500 0.140 0.000 2.120 230 R HA -0.077 4.263 4.340 -0.000 0.000 0.234 230 R C 1.846 178.207 176.300 0.102 0.000 1.123 230 R CA 1.459 57.634 56.100 0.126 0.000 0.975 230 R CB -0.401 29.973 30.300 0.122 0.000 0.866 230 R HN 0.318 nan 8.270 nan 0.000 0.446 231 V N 0.882 120.847 119.914 0.085 0.000 2.295 231 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 231 V C 2.216 178.352 176.094 0.070 0.000 1.049 231 V CA 1.975 64.316 62.300 0.067 0.000 1.024 231 V CB -0.359 31.493 31.823 0.048 0.000 0.648 231 V HN 0.338 nan 8.190 nan 0.000 0.447 232 I N 0.180 120.794 120.570 0.073 0.000 2.179 232 I HA -0.263 3.907 4.170 -0.000 0.000 0.242 232 I C 2.494 178.666 176.117 0.091 0.000 1.088 232 I CA 1.903 63.247 61.300 0.072 0.000 1.357 232 I CB -0.645 37.399 38.000 0.072 0.000 1.051 232 I HN 0.421 nan 8.210 nan 0.000 0.409 233 N N 0.534 119.308 118.700 0.122 0.000 2.149 233 N HA -0.237 4.503 4.740 -0.000 0.000 0.188 233 N C 1.920 177.508 175.510 0.130 0.000 1.019 233 N CA 1.223 54.373 53.050 0.167 0.000 0.857 233 N CB 0.119 38.718 38.487 0.187 0.000 0.997 233 N HN 0.361 nan 8.380 nan 0.000 0.426 234 Q N 0.693 120.563 119.800 0.116 0.000 2.167 234 Q HA -0.056 4.284 4.340 -0.000 0.000 0.202 234 Q C 1.938 178.041 176.000 0.173 0.000 0.970 234 Q CA 0.939 56.815 55.803 0.122 0.000 0.855 234 Q CB -0.175 28.629 28.738 0.111 0.000 0.911 234 Q HN 0.445 nan 8.270 nan 0.000 0.438 235 R N -0.341 120.249 120.500 0.151 0.000 2.115 235 R HA -0.053 4.287 4.340 -0.000 0.000 0.230 235 R C 1.735 178.142 176.300 0.179 0.000 1.111 235 R CA 0.576 56.798 56.100 0.203 0.000 0.976 235 R CB 0.011 30.354 30.300 0.071 0.000 0.870 235 R HN 0.112 nan 8.270 nan 0.000 0.445 236 L N -0.178 121.045 121.223 0.000 0.000 2.509 236 L HA 0.041 4.381 4.340 -0.000 0.000 0.222 236 L C 2.023 178.629 176.870 -0.440 0.000 1.123 236 L CA 0.959 55.659 54.840 -0.234 0.000 0.856 236 L CB -0.437 41.411 42.059 -0.352 0.000 0.985 236 L HN 0.100 nan 8.230 nan 0.000 0.456 237 M N 0.656 120.142 119.600 -0.191 0.000 2.108 237 M HA -0.096 4.384 4.480 -0.000 0.000 0.261 237 M C -0.672 175.583 176.300 -0.074 0.000 1.066 237 M CA 2.061 57.329 55.300 -0.054 0.000 1.107 237 M CB -1.319 31.313 32.600 0.053 0.000 1.356 237 M HN -0.010 nan 8.290 nan 0.000 0.406 238 P HA -0.175 nan 4.420 nan 0.000 0.216 238 P C 1.655 178.924 177.300 -0.053 0.000 1.153 238 P CA 1.110 64.114 63.100 -0.160 0.000 0.858 238 P CB -0.177 31.322 31.700 -0.336 0.000 0.789 239 L N -1.294 119.886 121.223 -0.072 0.000 2.056 239 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 239 L C 2.370 179.297 176.870 0.096 0.000 1.078 239 L CA 1.959 56.791 54.840 -0.013 0.000 0.749 239 L CB -1.724 40.303 42.059 -0.052 0.000 0.901 239 L HN 0.102 nan 8.230 nan 0.000 0.433 240 H N -0.504 118.631 119.070 0.107 0.000 2.353 240 H HA -0.145 4.411 4.556 -0.000 0.000 0.298 240 H C 2.081 177.558 175.328 0.248 0.000 1.103 240 H CA 1.888 58.037 56.048 0.168 0.000 1.293 240 H CB -0.490 29.337 29.762 0.107 0.000 1.372 240 H HN 0.497 nan 8.280 nan 0.000 0.501 241 N N 0.115 118.986 118.700 0.284 0.000 2.148 241 N HA -0.074 4.665 4.740 -0.000 0.000 0.186 241 N C 1.712 177.372 175.510 0.250 0.000 1.031 241 N CA 0.522 53.712 53.050 0.233 0.000 0.848 241 N CB 0.246 38.803 38.487 0.116 0.000 1.005 241 N HN 0.042 nan 8.380 nan 0.000 0.427 242 K N 0.960 121.444 120.400 0.140 0.000 2.366 242 K HA 0.091 4.411 4.320 -0.000 0.000 0.198 242 K C 1.449 178.069 176.600 0.033 0.000 1.044 242 K CA 0.316 56.650 56.287 0.077 0.000 0.973 242 K CB -0.178 32.340 32.500 0.030 0.000 0.767 242 K HN 0.298 nan 8.250 nan 0.000 0.475 243 L N -0.054 121.171 121.223 0.003 0.000 2.633 243 L HA -0.041 4.299 4.340 -0.000 0.000 0.235 243 L C 0.670 177.163 176.870 -0.629 0.000 1.163 243 L CA 0.730 55.415 54.840 -0.258 0.000 0.859 243 L CB -0.278 41.595 42.059 -0.310 0.000 0.973 243 L HN 0.015 nan 8.230 nan 0.000 0.451 244 F N -3.056 116.918 119.950 0.039 0.000 2.698 244 F HA 0.129 4.656 4.527 -0.000 0.000 0.304 244 F C 1.547 177.355 175.800 0.013 0.000 1.108 244 F CA -0.121 57.895 58.000 0.027 0.000 1.263 244 F CB -0.018 38.999 39.000 0.029 0.000 1.013 244 F HN -0.270 nan 8.300 nan 0.000 0.532 245 V N 0.073 120.038 119.914 0.085 0.000 2.407 245 V HA -0.145 3.975 4.120 -0.000 0.000 0.248 245 V C 0.868 176.976 176.094 0.023 0.000 1.055 245 V CA 1.952 64.279 62.300 0.046 0.000 1.049 245 V CB -0.051 31.773 31.823 0.002 0.000 0.662 245 V HN 0.298 nan 8.190 nan 0.000 0.455 246 E N -0.699 119.502 120.200 0.001 0.000 2.359 246 E HA 0.407 4.757 4.350 -0.000 0.000 0.266 246 E C -2.710 173.897 176.600 0.011 0.000 0.920 246 E CA -2.483 53.916 56.400 -0.001 0.000 0.788 246 E CB 1.569 31.250 29.700 -0.033 0.000 1.279 246 E HN 0.091 nan 8.360 nan 0.000 0.438 247 P HA -0.102 nan 4.420 nan 0.000 0.263 247 P C -0.680 176.626 177.300 0.009 0.000 1.195 247 P CA 0.285 63.410 63.100 0.042 0.000 0.762 247 P CB 0.253 31.971 31.700 0.030 0.000 0.799 248 N N 5.068 123.783 118.700 0.026 0.000 2.412 248 N HA -0.016 4.724 4.740 -0.000 0.000 0.258 248 N C -1.634 173.874 175.510 -0.003 0.000 1.236 248 N CA -0.881 52.140 53.050 -0.048 0.000 0.882 248 N CB 0.508 39.011 38.487 0.026 0.000 1.066 248 N HN 0.253 nan 8.380 nan 0.000 0.465 249 P HA 0.198 nan 4.420 nan 0.000 0.254 249 P C 0.991 178.271 177.300 -0.034 0.000 1.620 249 P CA -0.066 63.005 63.100 -0.049 0.000 1.050 249 P CB 0.071 31.756 31.700 -0.025 0.000 1.539 250 I N 1.223 121.776 120.570 -0.028 0.000 2.099 250 I HA -0.154 4.016 4.170 -0.000 0.000 0.239 250 I C -0.544 175.589 176.117 0.026 0.000 1.066 250 I CA 1.709 63.008 61.300 -0.001 0.000 1.324 250 I CB -1.917 36.077 38.000 -0.010 0.000 1.037 250 I HN 0.059 nan 8.210 nan 0.000 0.401 251 P HA -0.159 nan 4.420 nan 0.000 0.215 251 P C 1.999 179.350 177.300 0.084 0.000 1.153 251 P CA 1.183 64.299 63.100 0.025 0.000 0.853 251 P CB 0.021 31.679 31.700 -0.070 0.000 0.788 252 V N -0.180 119.724 119.914 -0.017 0.000 2.453 252 V HA -0.206 3.914 4.120 -0.000 0.000 0.247 252 V C 2.139 178.241 176.094 0.013 0.000 1.048 252 V CA 1.839 64.133 62.300 -0.011 0.000 1.049 252 V CB -0.798 30.987 31.823 -0.064 0.000 0.672 252 V HN 0.024 nan 8.190 nan 0.000 0.457 253 K N -1.287 119.127 120.400 0.024 0.000 2.057 253 K HA -0.250 4.070 4.320 -0.000 0.000 0.207 253 K C 1.841 178.459 176.600 0.029 0.000 1.049 253 K CA 2.115 58.412 56.287 0.017 0.000 0.931 253 K CB -0.384 32.130 32.500 0.024 0.000 0.714 253 K HN 0.701 nan 8.250 nan 0.000 0.440 254 W N 1.471 122.739 121.300 -0.052 0.000 2.335 254 W HA -0.246 4.414 4.660 0.000 0.000 0.311 254 W C 2.126 178.615 176.519 -0.049 0.000 1.213 254 W CA 2.237 59.554 57.345 -0.047 0.000 1.274 254 W CB -0.433 29.000 29.460 -0.044 0.000 1.148 254 W HN 0.085 nan 8.180 nan 0.000 0.498 255 A N -0.283 122.521 122.820 -0.027 0.000 1.908 255 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 255 A C 2.022 179.424 177.584 -0.303 0.000 1.181 255 A CA 2.067 53.982 52.037 -0.205 0.000 0.627 255 A CB -1.564 17.446 19.000 0.016 0.000 0.818 255 A HN 0.438 nan 8.150 nan 0.000 0.445 256 C N -0.851 118.326 119.300 -0.205 0.000 2.413 256 C HA -0.094 4.366 4.460 -0.000 0.000 0.276 256 C C 2.717 177.547 174.990 -0.266 0.000 1.248 256 C CA 1.407 60.298 59.018 -0.211 0.000 1.742 256 C CB -1.005 26.653 27.740 -0.137 0.000 2.017 256 C HN 0.726 nan 8.230 nan 0.000 0.481 257 K N 0.815 121.033 120.400 -0.302 0.000 2.026 257 K HA -0.216 4.104 4.320 -0.000 0.000 0.208 257 K C 1.996 178.352 176.600 -0.408 0.000 1.048 257 K CA 1.871 57.968 56.287 -0.318 0.000 0.929 257 K CB -0.222 32.095 32.500 -0.304 0.000 0.713 257 K HN 0.354 nan 8.250 nan 0.000 0.439 258 E N 0.821 120.629 120.200 -0.653 0.000 2.110 258 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 258 E C 1.735 178.117 176.600 -0.364 0.000 0.988 258 E CA 1.153 57.173 56.400 -0.633 0.000 0.804 258 E CB -0.063 29.002 29.700 -1.059 0.000 0.745 258 E HN 0.356 nan 8.360 nan 0.000 0.458 259 L N -1.467 119.563 121.223 -0.321 0.000 2.492 259 L HA 0.173 4.513 4.340 -0.000 0.000 0.223 259 L C 1.473 178.217 176.870 -0.210 0.000 1.132 259 L CA 0.491 55.190 54.840 -0.236 0.000 0.850 259 L CB -0.124 41.792 42.059 -0.239 0.000 0.966 259 L HN 0.441 nan 8.230 nan 0.000 0.454 260 G N -0.200 108.472 108.800 -0.214 0.000 2.141 260 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.242 260 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.242 260 G C 0.757 175.551 174.900 -0.175 0.000 0.982 260 G CA 0.231 45.229 45.100 -0.171 0.000 0.662 260 G HN 0.293 nan 8.290 nan 0.000 0.527 261 L N -0.319 120.772 121.223 -0.220 0.000 2.240 261 L HA 0.293 4.633 4.340 -0.000 0.000 0.211 261 L C 1.514 178.292 176.870 -0.154 0.000 1.106 261 L CA 1.435 56.135 54.840 -0.233 0.000 0.793 261 L CB 0.018 41.874 42.059 -0.339 0.000 0.927 261 L HN 0.533 nan 8.230 nan 0.000 0.446 262 V N -5.801 114.030 119.914 -0.139 0.000 3.040 262 V HA 0.693 4.813 4.120 -0.000 0.000 0.312 262 V C 0.592 176.631 176.094 -0.092 0.000 1.115 262 V CA -0.403 61.839 62.300 -0.096 0.000 0.998 262 V CB 1.538 33.312 31.823 -0.081 0.000 1.042 262 V HN -0.083 nan 8.190 nan 0.000 0.433 263 A N 2.116 124.897 122.820 -0.065 0.000 1.897 263 A HA 0.328 4.648 4.320 -0.000 0.000 0.215 263 A C 1.331 178.884 177.584 -0.052 0.000 1.181 263 A CA 1.735 53.739 52.037 -0.056 0.000 0.620 263 A CB -0.457 18.520 19.000 -0.038 0.000 0.821 263 A HN 1.782 nan 8.150 nan 0.000 0.443 264 T N -2.410 112.119 114.554 -0.042 0.000 2.896 264 T HA 0.454 4.804 4.350 -0.000 0.000 0.297 264 T C -0.688 173.998 174.700 -0.022 0.000 1.108 264 T CA 0.038 62.122 62.100 -0.027 0.000 1.004 264 T CB 1.898 70.759 68.868 -0.010 0.000 1.159 264 T HN 0.174 nan 8.240 nan 0.000 0.499 265 D N 0.622 121.023 120.400 0.002 0.000 2.395 265 D HA 0.144 4.784 4.640 -0.000 0.000 0.226 265 D C 0.278 176.600 176.300 0.037 0.000 1.146 265 D CA -0.284 53.732 54.000 0.027 0.000 0.830 265 D CB -0.553 40.301 40.800 0.091 0.000 0.958 265 D HN 0.513 nan 8.370 nan 0.000 0.501 266 T N 0.951 115.517 114.554 0.020 0.000 2.928 266 T HA 0.302 4.652 4.350 -0.000 0.000 0.305 266 T C 0.370 175.076 174.700 0.011 0.000 1.035 266 T CA 0.097 62.207 62.100 0.017 0.000 1.145 266 T CB 0.660 69.534 68.868 0.009 0.000 0.963 266 T HN 0.073 nan 8.240 nan 0.000 0.545 267 L N 2.180 123.409 121.223 0.010 0.000 2.235 267 L HA 0.643 4.983 4.340 -0.000 0.000 0.260 267 L C 0.448 177.318 176.870 0.001 0.000 1.025 267 L CA -1.200 53.642 54.840 0.004 0.000 0.836 267 L CB 1.221 43.282 42.059 0.004 0.000 1.395 267 L HN 0.397 nan 8.230 nan 0.000 0.443 268 R N 0.365 120.863 120.500 -0.003 0.000 2.460 268 R HA 0.582 4.922 4.340 -0.000 0.000 0.303 268 R C -1.094 175.203 176.300 -0.006 0.000 0.968 268 R CA -0.895 55.203 56.100 -0.004 0.000 0.889 268 R CB 1.189 31.485 30.300 -0.006 0.000 1.123 268 R HN 0.405 nan 8.270 nan 0.000 0.455 269 L N 4.390 125.611 121.223 -0.004 0.000 2.559 269 L HA 0.007 4.347 4.340 -0.000 0.000 0.282 269 L C -0.931 175.933 176.870 -0.009 0.000 1.232 269 L CA -0.681 54.155 54.840 -0.005 0.000 0.885 269 L CB 0.305 42.362 42.059 -0.004 0.000 1.131 269 L HN 0.498 nan 8.230 nan 0.000 0.498 270 P HA 0.063 nan 4.420 nan 0.000 0.257 270 P C -0.052 177.244 177.300 -0.007 0.000 1.325 270 P CA 0.033 63.127 63.100 -0.009 0.000 0.850 270 P CB 0.419 32.113 31.700 -0.010 0.000 1.324 271 M N 1.135 120.731 119.600 -0.007 0.000 2.245 271 M HA 0.171 4.651 4.480 -0.000 0.000 0.344 271 M C 0.914 177.212 176.300 -0.003 0.000 1.170 271 M CA 0.722 56.019 55.300 -0.005 0.000 1.135 271 M CB 0.307 32.905 32.600 -0.004 0.000 1.574 271 M HN 0.003 nan 8.290 nan 0.000 0.452 272 T N 0.799 115.351 114.554 -0.003 0.000 2.916 272 T HA 0.754 5.104 4.350 -0.000 0.000 0.292 272 T C -2.759 171.939 174.700 -0.004 0.000 1.064 272 T CA -1.976 60.122 62.100 -0.004 0.000 1.011 272 T CB 1.475 70.339 68.868 -0.006 0.000 1.152 272 T HN 0.303 nan 8.240 nan 0.000 0.510 273 P HA 0.192 nan 4.420 nan 0.000 0.268 273 P C 0.038 177.322 177.300 -0.027 0.000 1.208 273 P CA -0.495 62.605 63.100 -0.000 0.000 0.777 273 P CB 0.266 31.968 31.700 0.004 0.000 0.875 274 I N 1.641 122.186 120.570 -0.043 0.000 2.752 274 I HA -0.009 4.161 4.170 -0.000 0.000 0.287 274 I C 0.915 176.949 176.117 -0.139 0.000 1.188 274 I CA 0.162 61.393 61.300 -0.115 0.000 1.427 274 I CB 0.564 38.437 38.000 -0.211 0.000 1.365 274 I HN 0.453 nan 8.210 nan 0.000 0.585 275 T N 2.293 116.765 114.554 -0.136 0.000 2.788 275 T HA 0.100 4.450 4.350 -0.000 0.000 0.287 275 T C 0.834 175.424 174.700 -0.183 0.000 1.007 275 T CA -0.531 61.493 62.100 -0.126 0.000 1.005 275 T CB 0.914 69.727 68.868 -0.093 0.000 1.012 275 T HN 0.595 nan 8.240 nan 0.000 0.530 276 D N 0.484 120.799 120.400 -0.141 0.000 2.117 276 D HA -0.096 4.544 4.640 -0.000 0.000 0.197 276 D C 2.265 178.465 176.300 -0.166 0.000 0.987 276 D CA 1.575 55.484 54.000 -0.153 0.000 0.829 276 D CB -0.676 40.069 40.800 -0.092 0.000 0.961 276 D HN 0.624 nan 8.370 nan 0.000 0.460 277 S N -0.017 115.608 115.700 -0.126 0.000 2.382 277 S HA -0.109 4.361 4.470 -0.000 0.000 0.228 277 S C 2.129 176.640 174.600 -0.148 0.000 1.027 277 S CA 1.843 59.977 58.200 -0.111 0.000 0.991 277 S CB -0.542 62.613 63.200 -0.076 0.000 0.823 277 S HN 0.303 nan 8.310 nan 0.000 0.469 278 G N 1.277 109.968 108.800 -0.181 0.000 2.418 278 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.217 278 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.217 278 G C 1.604 176.277 174.900 -0.379 0.000 1.158 278 G CA 0.596 45.562 45.100 -0.223 0.000 0.771 278 G HN 0.546 nan 8.290 nan 0.000 0.545 279 R N 0.422 120.579 120.500 -0.573 0.000 2.096 279 R HA -0.062 4.278 4.340 -0.000 0.000 0.240 279 R C 2.965 178.935 176.300 -0.549 0.000 1.139 279 R CA 2.045 57.550 56.100 -0.991 0.000 0.952 279 R CB -0.523 29.260 30.300 -0.862 0.000 0.854 279 R HN 0.512 nan 8.270 nan 0.000 0.436 280 E N 0.378 120.411 120.200 -0.279 0.000 2.072 280 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 280 E C 1.987 178.538 176.600 -0.082 0.000 0.985 280 E CA 1.746 58.072 56.400 -0.124 0.000 0.801 280 E CB -1.175 28.476 29.700 -0.082 0.000 0.750 280 E HN 0.414 nan 8.360 nan 0.000 0.452 281 T N 0.345 114.838 114.554 -0.101 0.000 2.684 281 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 281 T C 2.185 176.870 174.700 -0.025 0.000 1.036 281 T CA 1.687 63.754 62.100 -0.055 0.000 1.148 281 T CB -0.330 68.501 68.868 -0.062 0.000 0.863 281 T HN 0.271 nan 8.240 nan 0.000 0.436 282 V N 1.159 121.042 119.914 -0.051 0.000 2.358 282 V HA -0.117 4.003 4.120 -0.000 0.000 0.246 282 V C 2.607 178.807 176.094 0.176 0.000 1.047 282 V CA 1.557 63.894 62.300 0.061 0.000 1.035 282 V CB -0.591 31.291 31.823 0.098 0.000 0.658 282 V HN 0.338 nan 8.190 nan 0.000 0.452 283 R N 0.164 120.787 120.500 0.204 0.000 2.083 283 R HA -0.206 4.134 4.340 -0.000 0.000 0.237 283 R C 2.343 178.727 176.300 0.139 0.000 1.137 283 R CA 1.790 58.047 56.100 0.262 0.000 0.951 283 R CB -0.484 29.975 30.300 0.265 0.000 0.851 283 R HN 0.503 nan 8.270 nan 0.000 0.434 284 A N 0.525 123.398 122.820 0.087 0.000 1.940 284 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 284 A C 2.313 179.951 177.584 0.090 0.000 1.176 284 A CA 1.784 53.866 52.037 0.075 0.000 0.631 284 A CB -0.695 18.333 19.000 0.047 0.000 0.814 284 A HN 0.543 nan 8.150 nan 0.000 0.446 285 A N -0.243 122.619 122.820 0.069 0.000 1.902 285 A HA -0.020 4.300 4.320 -0.000 0.000 0.217 285 A C 2.156 179.793 177.584 0.088 0.000 1.181 285 A CA 1.428 53.497 52.037 0.054 0.000 0.623 285 A CB -0.607 18.406 19.000 0.021 0.000 0.818 285 A HN 0.476 nan 8.150 nan 0.000 0.443 286 L N -0.548 120.731 121.223 0.093 0.000 2.042 286 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 286 L C 2.618 179.531 176.870 0.073 0.000 1.076 286 L CA 1.841 56.727 54.840 0.077 0.000 0.749 286 L CB -0.483 41.622 42.059 0.076 0.000 0.893 286 L HN 0.366 nan 8.230 nan 0.000 0.432 287 K N -1.218 119.232 120.400 0.083 0.000 2.057 287 K HA -0.211 4.109 4.320 -0.000 0.000 0.207 287 K C 2.188 178.833 176.600 0.076 0.000 1.049 287 K CA 1.102 57.429 56.287 0.066 0.000 0.931 287 K CB -0.402 32.135 32.500 0.062 0.000 0.714 287 K HN 0.360 nan 8.250 nan 0.000 0.440 288 H N 0.759 119.836 119.070 0.012 0.000 2.422 288 H HA -0.056 4.500 4.556 0.000 0.000 0.298 288 H C 1.505 176.833 175.328 -0.002 0.000 1.098 288 H CA 1.643 57.694 56.048 0.006 0.000 1.315 288 H CB 0.206 29.971 29.762 0.006 0.000 1.382 288 H HN 0.192 nan 8.280 nan 0.000 0.523 289 A N -0.365 122.546 122.820 0.153 0.000 2.208 289 A HA 0.214 4.534 4.320 -0.000 0.000 0.209 289 A C 1.870 179.472 177.584 0.030 0.000 1.161 289 A CA 1.035 53.125 52.037 0.089 0.000 0.782 289 A CB -0.432 18.605 19.000 0.061 0.000 0.816 289 A HN 0.625 nan 8.150 nan 0.000 0.477 290 G N -1.335 107.474 108.800 0.014 0.000 2.137 290 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.237 290 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.237 290 G C 0.583 175.487 174.900 0.006 0.000 1.002 290 G CA 0.493 45.592 45.100 -0.002 0.000 0.702 290 G HN 0.462 nan 8.290 nan 0.000 0.515 291 L N -1.345 119.885 121.223 0.013 0.000 2.463 291 L HA 0.492 4.832 4.340 -0.000 0.000 0.219 291 L C 1.557 178.420 176.870 -0.012 0.000 1.088 291 L CA 0.338 55.180 54.840 0.003 0.000 0.849 291 L CB 0.088 42.150 42.059 0.006 0.000 1.012 291 L HN 0.259 nan 8.230 nan 0.000 0.468 292 L N 0.000 121.221 121.223 -0.004 0.000 2.949 292 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 292 L CA 0.000 54.834 54.840 -0.010 0.000 0.813 292 L CB 0.000 42.059 42.059 0.001 0.000 0.961 292 L HN 0.000 nan 8.230 nan 0.000 0.502