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 2buf_1_G DATA FIRST_RESID 2 DATA SEQUENCE TLSRDDAAQV AKVLSEALPY IRRFVGKTLV IKYGGNAMES EELKAGFARD DATA SEQUENCE VVLMKAVGIN PVVVHGGGPQ IGDLLKRLSI ESHFIDGMRV TDAATMDVVE DATA SEQUENCE MVLGGQVNKD IVNLINRHGG SAIGLTGKDA ELIRAKKLTV TRQTPEMTKP DATA SEQUENCE EIIDIGHVGE VTGVNVGLLN MLVKGDFIPV IAPIGVGSNG ESYNINADLV DATA SEQUENCE AGKVAEALKA EKLMLLTNIA GLMDKQGQVL TGLSTEQVNE LIADGTIYGG DATA SEQUENCE MLPKIRCALE AVQGGVTSAH IIDGRVPNAV LLEIFTDSGV GTLISNRK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.694 174.700 -0.009 0.000 1.109 2 T CA 0.000 62.094 62.100 -0.010 0.000 1.349 2 T CB 0.000 68.863 68.868 -0.009 0.000 0.612 3 L N 3.058 124.275 121.223 -0.010 0.000 2.375 3 L HA 0.795 5.136 4.340 0.001 0.000 0.268 3 L C 0.814 177.680 176.870 -0.007 0.000 1.058 3 L CA -0.213 54.622 54.840 -0.009 0.000 0.803 3 L CB 1.379 43.432 42.059 -0.011 0.000 1.212 3 L HN 0.449 nan 8.230 nan 0.000 0.451 4 S N 2.804 118.500 115.700 -0.006 0.000 2.549 4 S HA -0.043 4.428 4.470 0.001 0.000 0.278 4 S C 1.185 175.783 174.600 -0.003 0.000 1.344 4 S CA 0.541 58.738 58.200 -0.004 0.000 1.025 4 S CB 0.087 63.285 63.200 -0.004 0.000 0.851 4 S HN 0.792 nan 8.310 nan 0.000 0.530 5 R N 0.471 120.970 120.500 -0.003 0.000 2.148 5 R HA -0.094 4.247 4.340 0.001 0.000 0.223 5 R C 1.284 177.583 176.300 -0.001 0.000 1.088 5 R CA 1.425 57.524 56.100 -0.002 0.000 0.985 5 R CB -0.483 29.816 30.300 -0.002 0.000 0.880 5 R HN 0.786 nan 8.270 nan 0.000 0.451 6 D N 0.563 120.962 120.400 -0.001 0.000 2.144 6 D HA -0.130 4.510 4.640 0.001 0.000 0.200 6 D C 1.084 177.384 176.300 -0.001 0.000 0.978 6 D CA 1.075 55.075 54.000 -0.001 0.000 0.833 6 D CB -0.068 40.731 40.800 -0.001 0.000 0.961 6 D HN 0.201 nan 8.370 nan 0.000 0.470 7 D N -0.891 119.508 120.400 -0.001 0.000 2.249 7 D HA 0.085 4.725 4.640 0.001 0.000 0.205 7 D C 1.869 178.169 176.300 0.001 0.000 0.962 7 D CA 0.707 54.706 54.000 -0.001 0.000 0.860 7 D CB -0.021 40.777 40.800 -0.004 0.000 0.955 7 D HN 0.158 nan 8.370 nan 0.000 0.505 8 A N 1.096 123.916 122.820 0.000 0.000 1.908 8 A HA -0.107 4.214 4.320 0.001 0.000 0.218 8 A C 2.270 179.856 177.584 0.004 0.000 1.181 8 A CA 2.034 54.072 52.037 0.002 0.000 0.627 8 A CB -0.705 18.295 19.000 0.000 0.000 0.818 8 A HN 0.215 nan 8.150 nan 0.000 0.445 9 A N -1.097 121.725 122.820 0.003 0.000 2.131 9 A HA -0.145 4.175 4.320 0.001 0.000 0.220 9 A C 2.013 179.601 177.584 0.006 0.000 1.158 9 A CA 1.625 53.664 52.037 0.004 0.000 0.665 9 A CB -0.309 18.693 19.000 0.003 0.000 0.795 9 A HN 0.575 nan 8.150 nan 0.000 0.460 10 Q N -0.942 118.862 119.800 0.007 0.000 2.165 10 Q HA 0.038 4.379 4.340 0.001 0.000 0.197 10 Q C 2.229 178.240 176.000 0.017 0.000 0.952 10 Q CA 1.129 56.938 55.803 0.011 0.000 0.848 10 Q CB -0.985 27.758 28.738 0.008 0.000 0.931 10 Q HN 0.421 nan 8.270 nan 0.000 0.470 11 V N 1.804 121.728 119.914 0.017 0.000 2.343 11 V HA -0.237 3.884 4.120 0.001 0.000 0.247 11 V C 2.332 178.441 176.094 0.025 0.000 1.051 11 V CA 1.940 64.256 62.300 0.027 0.000 1.036 11 V CB -0.874 30.961 31.823 0.021 0.000 0.654 11 V HN 0.358 nan 8.190 nan 0.000 0.451 12 A N -0.526 122.302 122.820 0.014 0.000 1.898 12 A HA -0.246 4.074 4.320 0.001 0.000 0.216 12 A C 2.293 179.882 177.584 0.007 0.000 1.181 12 A CA 2.072 54.114 52.037 0.008 0.000 0.620 12 A CB -0.454 18.549 19.000 0.005 0.000 0.819 12 A HN 0.537 nan 8.150 nan 0.000 0.442 13 K N -0.496 119.910 120.400 0.010 0.000 2.211 13 K HA -0.025 4.295 4.320 0.001 0.000 0.203 13 K C 1.520 178.128 176.600 0.013 0.000 1.050 13 K CA 1.392 57.685 56.287 0.010 0.000 0.945 13 K CB -0.070 32.436 32.500 0.010 0.000 0.732 13 K HN 0.249 nan 8.250 nan 0.000 0.451 14 V N 0.894 120.821 119.914 0.021 0.000 2.575 14 V HA -0.093 4.027 4.120 0.001 0.000 0.242 14 V C 2.078 178.184 176.094 0.019 0.000 1.045 14 V CA 0.900 63.220 62.300 0.033 0.000 1.065 14 V CB -0.163 31.694 31.823 0.056 0.000 0.717 14 V HN 0.263 nan 8.190 nan 0.000 0.467 15 L N -0.068 121.163 121.223 0.014 0.000 2.131 15 L HA -0.133 4.207 4.340 0.001 0.000 0.210 15 L C 2.565 179.392 176.870 -0.071 0.000 1.092 15 L CA 1.374 56.187 54.840 -0.046 0.000 0.759 15 L CB -0.468 41.584 42.059 -0.011 0.000 0.903 15 L HN 0.306 nan 8.230 nan 0.000 0.435 16 S N -0.528 115.156 115.700 -0.028 0.000 2.387 16 S HA -0.152 4.318 4.470 0.001 0.000 0.226 16 S C 1.765 176.362 174.600 -0.005 0.000 1.026 16 S CA 1.034 59.223 58.200 -0.019 0.000 0.972 16 S CB -0.075 63.121 63.200 -0.007 0.000 0.814 16 S HN 0.439 nan 8.310 nan 0.000 0.477 17 E N 0.757 120.962 120.200 0.010 0.000 2.358 17 E HA 0.093 4.444 4.350 0.001 0.000 0.195 17 E C 1.683 178.337 176.600 0.091 0.000 1.010 17 E CA 0.535 56.962 56.400 0.045 0.000 0.856 17 E CB -0.024 29.698 29.700 0.038 0.000 0.795 17 E HN 0.465 nan 8.360 nan 0.000 0.504 18 A N 0.497 123.323 122.820 0.010 0.000 2.275 18 A HA 0.030 4.351 4.320 0.001 0.000 0.212 18 A C 1.853 179.427 177.584 -0.016 0.000 1.201 18 A CA -0.039 51.981 52.037 -0.027 0.000 0.843 18 A CB -0.071 18.714 19.000 -0.357 0.000 0.873 18 A HN 0.164 nan 8.150 nan 0.000 0.492 19 L N 0.670 121.874 121.223 -0.033 0.000 2.042 19 L HA -0.052 4.288 4.340 0.001 0.000 0.210 19 L C -0.791 176.035 176.870 -0.073 0.000 1.076 19 L CA 2.287 57.088 54.840 -0.065 0.000 0.749 19 L CB -0.933 41.092 42.059 -0.055 0.000 0.893 19 L HN 0.168 nan 8.230 nan 0.000 0.432 20 P HA -0.172 nan 4.420 nan 0.000 0.216 20 P C 1.034 178.114 177.300 -0.367 0.000 1.153 20 P CA 1.618 64.533 63.100 -0.309 0.000 0.848 20 P CB -0.123 31.268 31.700 -0.516 0.000 0.787 21 Y N -1.256 119.026 120.300 -0.031 0.000 2.220 21 Y HA -0.073 4.478 4.550 0.001 0.000 0.291 21 Y C 2.377 178.348 175.900 0.119 0.000 1.129 21 Y CA 0.773 58.900 58.100 0.045 0.000 1.161 21 Y CB -1.174 37.323 38.460 0.061 0.000 0.997 21 Y HN -0.126 nan 8.280 nan 0.000 0.522 22 I N -0.215 120.441 120.570 0.144 0.000 2.163 22 I HA -0.305 3.865 4.170 0.001 0.000 0.240 22 I C 2.689 178.890 176.117 0.140 0.000 1.081 22 I CA 1.172 62.568 61.300 0.161 0.000 1.353 22 I CB -0.385 37.589 38.000 -0.045 0.000 1.054 22 I HN 0.116 nan 8.210 nan 0.000 0.407 23 R N 1.062 121.562 120.500 -0.001 0.000 2.208 23 R HA -0.315 4.025 4.340 0.001 0.000 0.262 23 R C 2.332 178.551 176.300 -0.135 0.000 1.166 23 R CA 2.278 58.341 56.100 -0.061 0.000 0.987 23 R CB -0.431 29.809 30.300 -0.099 0.000 0.887 23 R HN 0.286 nan 8.270 nan 0.000 0.459 24 R N -0.814 119.517 120.500 -0.282 0.000 2.189 24 R HA -0.114 4.226 4.340 0.001 0.000 0.223 24 R C 0.985 176.843 176.300 -0.737 0.000 1.092 24 R CA 1.587 57.326 56.100 -0.602 0.000 0.989 24 R CB 0.041 29.775 30.300 -0.944 0.000 0.876 24 R HN 0.273 nan 8.270 nan 0.000 0.457 25 F N -1.140 118.827 119.950 0.027 0.000 2.746 25 F HA 0.262 4.789 4.527 0.000 0.000 0.313 25 F C 0.357 176.174 175.800 0.029 0.000 1.095 25 F CA -0.723 57.299 58.000 0.037 0.000 1.224 25 F CB 0.422 39.457 39.000 0.058 0.000 1.060 25 F HN -0.298 nan 8.300 nan 0.000 0.584 26 V N 1.712 121.715 119.914 0.148 0.000 2.720 26 V HA 0.213 4.333 4.120 0.001 0.000 0.307 26 V C 1.342 177.480 176.094 0.074 0.000 1.071 26 V CA 1.476 63.835 62.300 0.098 0.000 1.199 26 V CB -0.014 31.837 31.823 0.048 0.000 0.900 26 V HN 0.719 nan 8.190 nan 0.000 0.494 27 G N 4.131 112.974 108.800 0.071 0.000 2.990 27 G HA2 -0.252 3.708 3.960 0.001 0.000 0.225 27 G HA3 -0.252 3.708 3.960 0.001 0.000 0.225 27 G C 0.442 175.384 174.900 0.071 0.000 1.304 27 G CA 0.168 45.302 45.100 0.056 0.000 0.816 27 G HN 0.595 nan 8.290 nan 0.000 0.528 28 K N 1.852 122.307 120.400 0.092 0.000 2.397 28 K HA 0.432 4.752 4.320 0.001 0.000 0.265 28 K C 0.544 177.216 176.600 0.119 0.000 0.982 28 K CA 0.381 56.733 56.287 0.109 0.000 0.931 28 K CB 0.102 32.689 32.500 0.146 0.000 0.943 28 K HN 0.357 nan 8.250 nan 0.000 0.501 29 T N 1.416 116.031 114.554 0.101 0.000 2.928 29 T HA 0.542 4.892 4.350 0.001 0.000 0.284 29 T C -0.624 174.130 174.700 0.088 0.000 1.008 29 T CA -0.550 61.601 62.100 0.084 0.000 1.057 29 T CB 0.674 69.582 68.868 0.066 0.000 1.018 29 T HN 0.207 nan 8.240 nan 0.000 0.493 30 L N 2.799 124.057 121.223 0.059 0.000 2.436 30 L HA 0.579 4.919 4.340 0.001 0.000 0.268 30 L C -1.105 175.789 176.870 0.040 0.000 0.974 30 L CA -0.551 54.312 54.840 0.039 0.000 0.826 30 L CB 2.223 44.271 42.059 -0.017 0.000 1.291 30 L HN 0.383 nan 8.230 nan 0.000 0.406 31 V N 5.734 125.679 119.914 0.050 0.000 2.311 31 V HA 0.467 4.587 4.120 0.001 0.000 0.275 31 V C 0.060 176.202 176.094 0.079 0.000 1.022 31 V CA -0.377 61.961 62.300 0.063 0.000 0.830 31 V CB 1.099 32.958 31.823 0.059 0.000 1.012 31 V HN 0.504 nan 8.190 nan 0.000 0.452 32 I N 4.704 125.341 120.570 0.113 0.000 2.437 32 I HA 0.494 4.664 4.170 0.001 0.000 0.298 32 I C 0.233 176.477 176.117 0.211 0.000 0.984 32 I CA -0.565 60.840 61.300 0.176 0.000 1.214 32 I CB 1.431 39.585 38.000 0.257 0.000 1.365 32 I HN 0.331 nan 8.210 nan 0.000 0.469 33 K N 6.242 126.745 120.400 0.172 0.000 2.389 33 K HA 0.206 4.526 4.320 0.001 0.000 0.261 33 K C -1.633 175.014 176.600 0.079 0.000 1.014 33 K CA -0.603 55.755 56.287 0.118 0.000 0.920 33 K CB 0.794 33.325 32.500 0.053 0.000 1.149 33 K HN 0.532 nan 8.250 nan 0.000 0.444 34 Y N 2.638 122.877 120.300 -0.102 0.000 2.676 34 Y HA 0.454 5.004 4.550 0.000 0.000 0.338 34 Y C -0.234 175.528 175.900 -0.229 0.000 1.057 34 Y CA -0.327 57.508 58.100 -0.442 0.000 1.314 34 Y CB 0.722 38.600 38.460 -0.971 0.000 1.164 34 Y HN 0.644 nan 8.280 nan 0.000 0.509 35 G N 2.339 110.838 108.800 -0.501 0.000 2.740 35 G HA2 0.580 4.541 3.960 0.001 0.000 0.296 35 G HA3 0.580 4.541 3.960 0.001 0.000 0.296 35 G C -1.179 173.450 174.900 -0.452 0.000 1.439 35 G CA -0.512 44.364 45.100 -0.373 0.000 1.066 35 G HN 0.914 nan 8.290 nan 0.000 0.527 36 G N 0.956 109.494 108.800 -0.436 0.000 2.717 36 G HA2 0.411 4.372 3.960 0.001 0.000 0.300 36 G HA3 0.411 4.372 3.960 0.001 0.000 0.300 36 G C 0.013 174.779 174.900 -0.223 0.000 1.424 36 G CA -0.626 44.282 45.100 -0.319 0.000 1.033 36 G HN 0.378 nan 8.290 nan 0.000 0.577 37 N N 1.032 119.648 118.700 -0.141 0.000 2.216 37 N HA -0.052 4.688 4.740 0.001 0.000 0.183 37 N C 2.145 177.606 175.510 -0.082 0.000 1.017 37 N CA 1.292 54.285 53.050 -0.094 0.000 0.861 37 N CB 0.130 38.572 38.487 -0.075 0.000 0.986 37 N HN 0.615 nan 8.380 nan 0.000 0.428 38 A N 0.128 122.896 122.820 -0.087 0.000 2.195 38 A HA 0.191 4.511 4.320 0.001 0.000 0.210 38 A C 1.760 179.301 177.584 -0.072 0.000 1.165 38 A CA 0.033 52.032 52.037 -0.063 0.000 0.806 38 A CB -0.135 18.832 19.000 -0.053 0.000 0.847 38 A HN 0.119 nan 8.150 nan 0.000 0.482 39 M N 0.423 119.942 119.600 -0.135 0.000 2.696 39 M HA 0.157 4.638 4.480 0.001 0.000 0.220 39 M C 0.149 176.359 176.300 -0.150 0.000 1.133 39 M CA 0.742 55.916 55.300 -0.210 0.000 1.016 39 M CB -0.636 31.699 32.600 -0.442 0.000 1.740 39 M HN 0.318 nan 8.290 nan 0.000 0.502 40 E N -0.991 119.178 120.200 -0.051 0.000 3.306 40 E HA 0.158 4.508 4.350 0.001 0.000 0.197 40 E C -0.176 176.442 176.600 0.030 0.000 0.980 40 E CA -0.265 56.149 56.400 0.024 0.000 1.259 40 E CB 0.581 30.282 29.700 0.001 0.000 1.112 40 E HN 0.435 nan 8.360 nan 0.000 0.458 41 S N -0.445 115.275 115.700 0.033 0.000 2.661 41 S HA 0.213 4.683 4.470 0.001 0.000 0.265 41 S C 1.022 175.647 174.600 0.043 0.000 1.225 41 S CA -0.245 57.971 58.200 0.027 0.000 0.986 41 S CB 1.680 64.893 63.200 0.022 0.000 1.008 41 S HN 0.081 nan 8.310 nan 0.000 0.565 42 E N 0.321 120.541 120.200 0.033 0.000 2.057 42 E HA 0.051 4.401 4.350 0.001 0.000 0.191 42 E C 2.160 178.786 176.600 0.044 0.000 0.959 42 E CA 1.182 57.601 56.400 0.032 0.000 0.828 42 E CB -0.354 29.358 29.700 0.021 0.000 0.800 42 E HN 0.781 nan 8.360 nan 0.000 0.460 43 E N 0.715 120.940 120.200 0.042 0.000 2.187 43 E HA -0.250 4.100 4.350 0.001 0.000 0.199 43 E C 2.038 178.678 176.600 0.066 0.000 1.004 43 E CA 0.956 57.385 56.400 0.049 0.000 0.813 43 E CB -0.374 29.347 29.700 0.035 0.000 0.736 43 E HN 0.168 nan 8.360 nan 0.000 0.468 44 L N 1.296 122.562 121.223 0.072 0.000 2.044 44 L HA -0.074 4.266 4.340 0.001 0.000 0.205 44 L C 2.527 179.483 176.870 0.142 0.000 1.075 44 L CA 1.722 56.625 54.840 0.105 0.000 0.747 44 L CB -0.458 41.662 42.059 0.102 0.000 0.903 44 L HN -0.032 nan 8.230 nan 0.000 0.435 45 K N -1.034 119.437 120.400 0.119 0.000 2.063 45 K HA -0.166 4.154 4.320 0.001 0.000 0.208 45 K C 1.862 178.464 176.600 0.003 0.000 1.048 45 K CA 1.393 57.704 56.287 0.040 0.000 0.928 45 K CB -0.191 32.317 32.500 0.013 0.000 0.713 45 K HN 0.390 nan 8.250 nan 0.000 0.442 46 A N 0.086 122.933 122.820 0.046 0.000 2.168 46 A HA 0.007 4.327 4.320 0.001 0.000 0.215 46 A C 2.016 179.734 177.584 0.222 0.000 1.152 46 A CA 1.425 53.531 52.037 0.116 0.000 0.716 46 A CB -0.395 18.721 19.000 0.193 0.000 0.794 46 A HN 0.487 nan 8.150 nan 0.000 0.465 47 G N -1.086 107.798 108.800 0.141 0.000 2.408 47 G HA2 -0.030 3.930 3.960 0.001 0.000 0.213 47 G HA3 -0.030 3.930 3.960 0.001 0.000 0.213 47 G C 1.345 176.304 174.900 0.098 0.000 1.177 47 G CA 0.841 46.003 45.100 0.103 0.000 0.802 47 G HN 0.433 nan 8.290 nan 0.000 0.533 48 F N 2.564 122.492 119.950 -0.036 0.000 2.026 48 F HA -0.034 4.493 4.527 0.000 0.000 0.296 48 F C 2.878 178.617 175.800 -0.101 0.000 1.133 48 F CA 1.862 59.811 58.000 -0.085 0.000 1.188 48 F CB -0.573 38.295 39.000 -0.219 0.000 0.968 48 F HN 0.232 nan 8.300 nan 0.000 0.476 49 A N 1.275 124.093 122.820 -0.002 0.000 1.915 49 A HA -0.343 3.977 4.320 0.001 0.000 0.220 49 A C 2.353 179.908 177.584 -0.047 0.000 1.198 49 A CA 2.721 54.706 52.037 -0.088 0.000 0.647 49 A CB -1.179 17.756 19.000 -0.108 0.000 0.825 49 A HN 0.665 nan 8.150 nan 0.000 0.456 50 R N -0.923 119.650 120.500 0.121 0.000 2.148 50 R HA -0.111 4.229 4.340 0.001 0.000 0.223 50 R C 1.008 177.235 176.300 -0.122 0.000 1.088 50 R CA 1.645 57.764 56.100 0.031 0.000 0.985 50 R CB -0.534 29.732 30.300 -0.058 0.000 0.880 50 R HN 0.371 nan 8.270 nan 0.000 0.451 51 D N 1.004 121.288 120.400 -0.194 0.000 2.103 51 D HA -0.095 4.545 4.640 0.001 0.000 0.199 51 D C 2.104 178.225 176.300 -0.299 0.000 0.978 51 D CA 1.101 54.942 54.000 -0.264 0.000 0.829 51 D CB -0.314 40.316 40.800 -0.285 0.000 0.981 51 D HN 0.051 nan 8.370 nan 0.000 0.464 52 V N 0.866 120.532 119.914 -0.412 0.000 2.282 52 V HA -0.238 3.882 4.120 0.001 0.000 0.249 52 V C 2.643 178.622 176.094 -0.192 0.000 1.057 52 V CA 1.221 63.305 62.300 -0.359 0.000 1.032 52 V CB -0.388 31.154 31.823 -0.469 0.000 0.645 52 V HN 0.060 nan 8.190 nan 0.000 0.447 53 V N -0.648 119.179 119.914 -0.146 0.000 2.332 53 V HA -0.289 3.831 4.120 0.001 0.000 0.248 53 V C 2.255 178.304 176.094 -0.074 0.000 1.055 53 V CA 2.129 64.379 62.300 -0.084 0.000 1.038 53 V CB -0.450 31.345 31.823 -0.048 0.000 0.651 53 V HN 0.441 nan 8.190 nan 0.000 0.450 54 L N -1.437 119.727 121.223 -0.098 0.000 1.994 54 L HA -0.242 4.098 4.340 0.001 0.000 0.208 54 L C 2.515 179.370 176.870 -0.024 0.000 1.071 54 L CA 1.981 56.780 54.840 -0.068 0.000 0.745 54 L CB -0.393 41.583 42.059 -0.139 0.000 0.892 54 L HN 0.277 nan 8.230 nan 0.000 0.431 55 M N -0.571 118.987 119.600 -0.069 0.000 2.226 55 M HA -0.328 4.152 4.480 0.001 0.000 0.257 55 M C 2.330 178.639 176.300 0.014 0.000 1.070 55 M CA 2.058 57.349 55.300 -0.015 0.000 1.087 55 M CB -0.560 31.990 32.600 -0.083 0.000 1.278 55 M HN 0.015 nan 8.290 nan 0.000 0.426 56 K N 0.849 121.237 120.400 -0.020 0.000 2.077 56 K HA -0.172 4.149 4.320 0.001 0.000 0.213 56 K C 1.571 178.174 176.600 0.005 0.000 1.051 56 K CA 2.178 58.460 56.287 -0.009 0.000 0.929 56 K CB -0.699 31.784 32.500 -0.030 0.000 0.715 56 K HN 0.386 nan 8.250 nan 0.000 0.451 57 A N -0.319 122.502 122.820 0.002 0.000 2.255 57 A HA 0.089 4.410 4.320 0.001 0.000 0.206 57 A C 1.644 179.252 177.584 0.039 0.000 1.193 57 A CA 0.899 52.942 52.037 0.010 0.000 0.794 57 A CB -0.067 18.933 19.000 0.000 0.000 0.794 57 A HN 0.176 nan 8.150 nan 0.000 0.481 58 V N -2.104 117.849 119.914 0.065 0.000 3.556 58 V HA 0.405 4.525 4.120 0.001 0.000 0.287 58 V C 1.457 177.594 176.094 0.071 0.000 1.422 58 V CA 1.095 63.447 62.300 0.088 0.000 1.038 58 V CB 0.479 32.407 31.823 0.176 0.000 0.850 58 V HN 0.954 nan 8.190 nan 0.000 0.437 59 G N 0.602 109.438 108.800 0.061 0.000 2.229 59 G HA2 -0.138 3.822 3.960 0.001 0.000 0.189 59 G HA3 -0.138 3.822 3.960 0.001 0.000 0.189 59 G C 0.158 175.103 174.900 0.076 0.000 1.000 59 G CA -0.011 45.124 45.100 0.059 0.000 0.663 59 G HN 0.407 nan 8.290 nan 0.000 0.493 60 I N 1.160 121.781 120.570 0.086 0.000 2.499 60 I HA 0.355 4.525 4.170 0.001 0.000 0.296 60 I C -0.467 175.680 176.117 0.050 0.000 0.992 60 I CA -0.772 60.581 61.300 0.088 0.000 1.297 60 I CB 1.186 39.232 38.000 0.077 0.000 1.410 60 I HN -0.065 nan 8.210 nan 0.000 0.507 61 N N 6.402 125.133 118.700 0.052 0.000 2.558 61 N HA 0.342 5.082 4.740 0.001 0.000 0.242 61 N C -2.578 172.952 175.510 0.033 0.000 0.979 61 N CA -1.127 51.947 53.050 0.040 0.000 0.931 61 N CB 1.786 40.303 38.487 0.050 0.000 1.122 61 N HN 0.360 nan 8.380 nan 0.000 0.508 62 P HA 0.269 nan 4.420 nan 0.000 0.282 62 P C -0.628 176.693 177.300 0.034 0.000 1.249 62 P CA -0.411 62.693 63.100 0.007 0.000 0.806 62 P CB 1.893 33.569 31.700 -0.040 0.000 0.984 63 V N 3.408 123.352 119.914 0.051 0.000 2.524 63 V HA 0.177 4.297 4.120 0.001 0.000 0.297 63 V C 0.167 176.318 176.094 0.096 0.000 1.035 63 V CA -0.721 61.620 62.300 0.069 0.000 0.867 63 V CB 2.140 34.000 31.823 0.061 0.000 1.004 63 V HN 0.279 nan 8.190 nan 0.000 0.426 64 V N 5.905 125.894 119.914 0.125 0.000 2.481 64 V HA 0.589 4.709 4.120 0.001 0.000 0.286 64 V C -0.031 176.152 176.094 0.149 0.000 1.042 64 V CA -0.394 62.020 62.300 0.190 0.000 0.928 64 V CB 1.862 33.847 31.823 0.271 0.000 0.986 64 V HN 0.584 nan 8.190 nan 0.000 0.462 65 V N 4.208 124.205 119.914 0.138 0.000 2.769 65 V HA 0.720 4.840 4.120 0.001 0.000 0.312 65 V C -0.756 175.395 176.094 0.095 0.000 1.061 65 V CA -0.588 61.737 62.300 0.042 0.000 0.931 65 V CB 2.119 33.950 31.823 0.014 0.000 1.010 65 V HN 1.208 nan 8.190 nan 0.000 0.433 66 H N 0.710 119.818 119.070 0.063 0.000 3.037 66 H HA 0.846 5.402 4.556 0.001 0.000 0.355 66 H C -0.343 174.999 175.328 0.024 0.000 1.263 66 H CA -0.151 55.928 56.048 0.051 0.000 1.129 66 H CB 1.496 31.313 29.762 0.092 0.000 1.861 66 H HN 0.823 nan 8.280 nan 0.000 0.546 67 G N -1.229 107.723 108.800 0.254 0.000 2.887 67 G HA2 0.584 4.545 3.960 0.001 0.000 0.277 67 G HA3 0.584 4.545 3.960 0.001 0.000 0.277 67 G C -0.450 174.597 174.900 0.245 0.000 1.346 67 G CA -1.131 44.078 45.100 0.182 0.000 1.058 67 G HN 1.328 nan 8.290 nan 0.000 0.535 68 G N -1.496 107.378 108.800 0.125 0.000 3.967 68 G HA2 0.501 4.461 3.960 0.001 0.000 0.275 68 G HA3 0.501 4.461 3.960 0.001 0.000 0.275 68 G C 0.360 175.292 174.900 0.054 0.000 3.717 68 G CA 0.762 45.909 45.100 0.078 0.000 0.565 68 G HN 1.093 nan 8.290 nan 0.000 0.255 69 G N 1.760 110.581 108.800 0.035 0.000 2.471 69 G HA2 0.158 4.118 3.960 0.001 0.000 0.211 69 G HA3 0.158 4.118 3.960 0.001 0.000 0.211 69 G C -0.013 174.913 174.900 0.043 0.000 1.194 69 G CA 0.537 45.664 45.100 0.045 0.000 0.816 69 G HN 0.412 nan 8.290 nan 0.000 0.545 70 P HA -0.221 nan 4.420 nan 0.000 0.219 70 P C 1.870 179.185 177.300 0.025 0.000 1.153 70 P CA 1.722 64.832 63.100 0.016 0.000 0.865 70 P CB 0.001 31.700 31.700 -0.003 0.000 0.788 71 Q N -1.033 118.781 119.800 0.022 0.000 2.331 71 Q HA -0.001 4.339 4.340 0.001 0.000 0.203 71 Q C 2.065 178.082 176.000 0.029 0.000 0.944 71 Q CA 1.115 56.930 55.803 0.020 0.000 0.892 71 Q CB -0.839 27.906 28.738 0.011 0.000 0.983 71 Q HN 0.380 nan 8.270 nan 0.000 0.482 72 I N 0.296 120.890 120.570 0.041 0.000 2.400 72 I HA 0.062 4.232 4.170 0.001 0.000 0.248 72 I C 2.376 178.524 176.117 0.052 0.000 1.109 72 I CA 0.951 62.276 61.300 0.042 0.000 1.425 72 I CB -0.999 37.032 38.000 0.050 0.000 1.094 72 I HN 0.107 nan 8.210 nan 0.000 0.425 73 G N 1.103 109.949 108.800 0.077 0.000 2.475 73 G HA2 -0.299 3.661 3.960 0.001 0.000 0.220 73 G HA3 -0.299 3.661 3.960 0.001 0.000 0.220 73 G C 1.402 176.340 174.900 0.064 0.000 1.125 73 G CA 1.209 46.368 45.100 0.099 0.000 0.755 73 G HN 0.365 nan 8.290 nan 0.000 0.565 74 D N 0.144 120.571 120.400 0.045 0.000 2.085 74 D HA -0.052 4.589 4.640 0.001 0.000 0.199 74 D C 2.478 178.792 176.300 0.024 0.000 0.981 74 D CA 0.500 54.519 54.000 0.031 0.000 0.834 74 D CB -0.252 40.561 40.800 0.022 0.000 0.992 74 D HN 0.154 nan 8.370 nan 0.000 0.457 75 L N 0.818 122.053 121.223 0.020 0.000 2.083 75 L HA -0.095 4.245 4.340 0.001 0.000 0.209 75 L C 2.460 179.336 176.870 0.010 0.000 1.083 75 L CA 1.192 56.039 54.840 0.012 0.000 0.752 75 L CB -0.507 41.557 42.059 0.009 0.000 0.899 75 L HN 0.091 nan 8.230 nan 0.000 0.433 76 L N -1.031 120.200 121.223 0.013 0.000 2.017 76 L HA -0.251 4.089 4.340 0.001 0.000 0.208 76 L C 2.556 179.432 176.870 0.011 0.000 1.073 76 L CA 1.470 56.313 54.840 0.006 0.000 0.745 76 L CB -0.606 41.454 42.059 0.002 0.000 0.894 76 L HN 0.164 nan 8.230 nan 0.000 0.432 77 K N 0.152 120.566 120.400 0.022 0.000 2.074 77 K HA -0.216 4.105 4.320 0.001 0.000 0.209 77 K C 2.188 178.798 176.600 0.016 0.000 1.048 77 K CA 1.890 58.191 56.287 0.024 0.000 0.926 77 K CB -0.141 32.379 32.500 0.033 0.000 0.713 77 K HN 0.395 nan 8.250 nan 0.000 0.444 78 R N 0.404 120.912 120.500 0.013 0.000 2.161 78 R HA -0.006 4.334 4.340 0.001 0.000 0.213 78 R C 1.918 178.221 176.300 0.005 0.000 1.055 78 R CA 0.849 56.954 56.100 0.008 0.000 0.996 78 R CB -0.378 29.927 30.300 0.008 0.000 0.901 78 R HN 0.135 nan 8.270 nan 0.000 0.456 79 L N 0.930 122.154 121.223 0.003 0.000 2.478 79 L HA 0.057 4.397 4.340 0.001 0.000 0.223 79 L C 0.692 177.561 176.870 -0.002 0.000 1.140 79 L CA 0.618 55.457 54.840 -0.001 0.000 0.842 79 L CB 0.030 42.086 42.059 -0.005 0.000 0.953 79 L HN 0.271 nan 8.230 nan 0.000 0.452 80 S N -1.260 114.441 115.700 0.001 0.000 2.000 80 S HA -0.193 4.278 4.470 0.001 0.000 0.243 80 S C 0.729 175.329 174.600 -0.001 0.000 1.092 80 S CA 0.602 58.803 58.200 0.001 0.000 1.426 80 S CB -1.159 62.041 63.200 -0.000 0.000 1.779 80 S HN 0.318 nan 8.310 nan 0.000 0.565 81 I N 4.234 124.800 120.570 -0.006 0.000 2.710 81 I HA -0.004 4.167 4.170 0.001 0.000 0.307 81 I C 0.993 177.099 176.117 -0.018 0.000 1.175 81 I CA 0.339 61.631 61.300 -0.014 0.000 2.125 81 I CB -0.558 37.428 38.000 -0.023 0.000 1.576 81 I HN 0.366 nan 8.210 nan 0.000 0.995 82 E N 3.115 123.313 120.200 -0.003 0.000 2.508 82 E HA -0.026 4.324 4.350 0.001 0.000 0.266 82 E C 0.311 176.894 176.600 -0.029 0.000 1.010 82 E CA 0.178 56.584 56.400 0.009 0.000 0.955 82 E CB 0.527 30.251 29.700 0.040 0.000 0.946 82 E HN 0.560 nan 8.360 nan 0.000 0.454 83 S N 1.675 117.323 115.700 -0.087 0.000 3.226 83 S HA -0.027 4.443 4.470 0.001 0.000 0.195 83 S C 0.225 174.453 174.600 -0.621 0.000 0.793 83 S CA 0.200 58.220 58.200 -0.299 0.000 0.816 83 S CB -0.437 62.552 63.200 -0.352 0.000 0.847 83 S HN 0.928 nan 8.310 nan 0.000 0.630 84 H N 3.043 121.588 119.070 -0.874 0.000 2.983 84 H HA -0.161 4.395 4.556 0.001 0.000 0.327 84 H C -1.211 173.617 175.328 -0.835 0.000 1.031 84 H CA 0.345 55.690 56.048 -1.172 0.000 1.053 84 H CB -2.694 26.918 29.762 -0.250 0.000 1.609 84 H HN 0.418 nan 8.280 nan 0.000 0.369 85 F N 2.093 122.004 119.950 -0.065 0.000 2.016 85 F HA -0.192 4.336 4.527 0.001 0.000 0.449 85 F C 1.725 177.500 175.800 -0.042 0.000 0.873 85 F CA 0.974 58.947 58.000 -0.045 0.000 0.980 85 F CB -0.981 38.023 39.000 0.007 0.000 0.765 85 F HN 0.489 nan 8.300 nan 0.000 0.495 86 I N 2.090 122.633 120.570 -0.045 0.000 4.327 86 I HA -0.164 4.006 4.170 0.001 0.000 0.100 86 I C 1.396 177.556 176.117 0.072 0.000 1.016 86 I CA 0.860 62.162 61.300 0.003 0.000 1.316 86 I CB -0.020 37.951 38.000 -0.050 0.000 1.184 86 I HN 0.447 nan 8.210 nan 0.000 0.480 87 D N 0.290 120.721 120.400 0.051 0.000 2.722 87 D HA 0.279 4.919 4.640 0.001 0.000 0.239 87 D C 0.466 176.800 176.300 0.057 0.000 1.249 87 D CA 0.472 54.507 54.000 0.059 0.000 0.830 87 D CB 0.759 41.585 40.800 0.044 0.000 1.025 87 D HN 0.673 nan 8.370 nan 0.000 0.486 88 G N -0.563 108.279 108.800 0.069 0.000 4.329 88 G HA2 -0.092 3.869 3.960 0.001 0.000 0.132 88 G HA3 -0.092 3.869 3.960 0.001 0.000 0.132 88 G C 0.796 175.738 174.900 0.070 0.000 1.654 88 G CA -0.048 45.088 45.100 0.060 0.000 0.966 88 G HN 0.110 nan 8.290 nan 0.000 0.310 89 M N -0.275 119.364 119.600 0.064 0.000 2.034 89 M HA 0.569 5.049 4.480 0.001 0.000 0.213 89 M C 0.781 177.138 176.300 0.094 0.000 1.322 89 M CA 0.776 56.117 55.300 0.069 0.000 1.072 89 M CB 0.234 32.866 32.600 0.053 0.000 0.971 89 M HN 0.073 nan 8.290 nan 0.000 0.442 90 R N -0.106 120.433 120.500 0.065 0.000 2.937 90 R HA 0.294 4.634 4.340 0.001 0.000 0.273 90 R C -1.702 174.589 176.300 -0.014 0.000 1.176 90 R CA -0.268 55.856 56.100 0.041 0.000 1.132 90 R CB 1.422 31.766 30.300 0.074 0.000 1.270 90 R HN 0.168 nan 8.270 nan 0.000 0.425 91 V N 3.009 122.879 119.914 -0.073 0.000 2.681 91 V HA 0.028 4.148 4.120 0.001 0.000 0.306 91 V C 0.115 176.173 176.094 -0.061 0.000 1.077 91 V CA 0.959 63.212 62.300 -0.079 0.000 1.224 91 V CB 1.061 32.798 31.823 -0.144 0.000 0.879 91 V HN 0.770 nan 8.190 nan 0.000 0.494 92 T N 3.978 118.525 114.554 -0.011 0.000 3.089 92 T HA 0.312 4.663 4.350 0.001 0.000 0.340 92 T C -0.499 174.250 174.700 0.083 0.000 1.008 92 T CA -0.843 61.268 62.100 0.018 0.000 1.096 92 T CB 0.610 69.502 68.868 0.041 0.000 1.024 92 T HN 0.906 nan 8.240 nan 0.000 0.477 93 D N 1.787 122.214 120.400 0.046 0.000 2.478 93 D HA 0.605 5.245 4.640 0.001 0.000 0.269 93 D C 1.666 177.995 176.300 0.048 0.000 1.232 93 D CA -0.602 53.451 54.000 0.089 0.000 1.059 93 D CB 0.371 41.185 40.800 0.024 0.000 1.104 93 D HN 0.295 nan 8.370 nan 0.000 0.566 94 A N 0.084 122.928 122.820 0.040 0.000 1.873 94 A HA -0.058 4.262 4.320 0.001 0.000 0.218 94 A C 2.213 179.721 177.584 -0.126 0.000 1.193 94 A CA 2.933 54.888 52.037 -0.136 0.000 0.629 94 A CB -1.573 17.396 19.000 -0.052 0.000 0.826 94 A HN 0.716 nan 8.150 nan 0.000 0.447 95 A N -1.285 121.496 122.820 -0.065 0.000 1.902 95 A HA -0.093 4.228 4.320 0.001 0.000 0.217 95 A C 2.294 179.842 177.584 -0.061 0.000 1.181 95 A CA 2.348 54.351 52.037 -0.057 0.000 0.623 95 A CB -1.259 17.719 19.000 -0.037 0.000 0.818 95 A HN 0.460 nan 8.150 nan 0.000 0.443 96 T N -0.661 113.859 114.554 -0.057 0.000 2.904 96 T HA -0.102 4.249 4.350 0.001 0.000 0.267 96 T C 1.868 176.531 174.700 -0.063 0.000 1.059 96 T CA 1.643 63.712 62.100 -0.053 0.000 1.137 96 T CB -0.211 68.626 68.868 -0.051 0.000 0.879 96 T HN 0.382 nan 8.240 nan 0.000 0.467 97 M N 1.938 121.478 119.600 -0.100 0.000 2.086 97 M HA -0.068 4.413 4.480 0.001 0.000 0.261 97 M C 1.560 177.796 176.300 -0.107 0.000 1.067 97 M CA 1.423 56.647 55.300 -0.127 0.000 1.116 97 M CB -0.648 31.788 32.600 -0.274 0.000 1.348 97 M HN -0.017 nan 8.290 nan 0.000 0.407 98 D N -0.649 119.682 120.400 -0.115 0.000 2.133 98 D HA -0.172 4.468 4.640 0.001 0.000 0.195 98 D C 2.108 178.379 176.300 -0.050 0.000 0.997 98 D CA 1.690 55.640 54.000 -0.082 0.000 0.840 98 D CB -0.427 40.327 40.800 -0.076 0.000 0.947 98 D HN 0.275 nan 8.370 nan 0.000 0.452 99 V N 0.785 120.674 119.914 -0.042 0.000 2.261 99 V HA -0.216 3.904 4.120 0.001 0.000 0.246 99 V C 2.727 178.813 176.094 -0.013 0.000 1.047 99 V CA 1.122 63.407 62.300 -0.024 0.000 1.015 99 V CB -0.474 31.337 31.823 -0.021 0.000 0.642 99 V HN 0.045 nan 8.190 nan 0.000 0.446 100 V N -0.099 119.807 119.914 -0.014 0.000 2.287 100 V HA -0.316 3.804 4.120 0.001 0.000 0.248 100 V C 2.436 178.534 176.094 0.008 0.000 1.053 100 V CA 2.402 64.704 62.300 0.003 0.000 1.027 100 V CB -0.677 31.149 31.823 0.005 0.000 0.646 100 V HN 0.669 nan 8.190 nan 0.000 0.447 101 E N -0.021 120.173 120.200 -0.010 0.000 2.153 101 E HA -0.276 4.074 4.350 0.001 0.000 0.194 101 E C 2.188 178.791 176.600 0.004 0.000 0.988 101 E CA 1.847 58.244 56.400 -0.006 0.000 0.811 101 E CB -0.091 29.590 29.700 -0.030 0.000 0.746 101 E HN 0.729 nan 8.360 nan 0.000 0.466 102 M N -0.900 118.699 119.600 -0.002 0.000 2.394 102 M HA -0.006 4.474 4.480 0.001 0.000 0.266 102 M C 1.827 178.135 176.300 0.013 0.000 1.098 102 M CA 0.846 56.147 55.300 0.003 0.000 1.149 102 M CB 0.251 32.847 32.600 -0.007 0.000 1.369 102 M HN -0.062 nan 8.290 nan 0.000 0.450 103 V N 1.157 121.081 119.914 0.015 0.000 2.453 103 V HA -0.166 3.954 4.120 0.001 0.000 0.247 103 V C 2.327 178.444 176.094 0.038 0.000 1.048 103 V CA 1.516 63.828 62.300 0.021 0.000 1.049 103 V CB -0.327 31.509 31.823 0.021 0.000 0.672 103 V HN 0.544 nan 8.190 nan 0.000 0.457 104 L N -0.721 120.537 121.223 0.059 0.000 2.202 104 L HA 0.139 4.479 4.340 0.001 0.000 0.205 104 L C 2.472 179.415 176.870 0.122 0.000 1.083 104 L CA 1.234 56.143 54.840 0.115 0.000 0.790 104 L CB -0.742 41.392 42.059 0.125 0.000 0.942 104 L HN 0.419 nan 8.230 nan 0.000 0.452 105 G N -0.539 108.304 108.800 0.072 0.000 2.424 105 G HA2 -0.145 3.815 3.960 0.001 0.000 0.214 105 G HA3 -0.145 3.815 3.960 0.001 0.000 0.214 105 G C 1.470 176.400 174.900 0.050 0.000 1.202 105 G CA 0.688 45.825 45.100 0.061 0.000 0.793 105 G HN 0.441 nan 8.290 nan 0.000 0.534 106 G N -0.951 107.867 108.800 0.030 0.000 2.838 106 G HA2 0.194 4.155 3.960 0.001 0.000 0.210 106 G HA3 0.194 4.155 3.960 0.001 0.000 0.210 106 G C 1.355 176.262 174.900 0.012 0.000 1.153 106 G CA 0.978 46.090 45.100 0.019 0.000 0.778 106 G HN 0.503 nan 8.290 nan 0.000 0.539 107 Q N -0.556 119.250 119.800 0.011 0.000 2.596 107 Q HA 0.094 4.434 4.340 0.001 0.000 0.190 107 Q C 2.422 178.406 176.000 -0.026 0.000 0.905 107 Q CA 0.301 56.101 55.803 -0.005 0.000 0.846 107 Q CB -0.053 28.682 28.738 -0.004 0.000 1.117 107 Q HN 0.058 nan 8.270 nan 0.000 0.630 108 V N 2.877 122.769 119.914 -0.037 0.000 2.324 108 V HA -0.334 3.787 4.120 0.001 0.000 0.250 108 V C 2.359 178.322 176.094 -0.219 0.000 1.060 108 V CA 2.295 64.522 62.300 -0.122 0.000 1.042 108 V CB -1.075 30.673 31.823 -0.125 0.000 0.650 108 V HN 0.532 nan 8.190 nan 0.000 0.450 109 N N 0.389 119.040 118.700 -0.082 0.000 2.028 109 N HA -0.210 4.531 4.740 0.001 0.000 0.194 109 N C 1.738 177.248 175.510 0.000 0.000 1.050 109 N CA 1.462 54.540 53.050 0.046 0.000 0.848 109 N CB -0.064 38.551 38.487 0.213 0.000 1.038 109 N HN 0.336 nan 8.380 nan 0.000 0.423 110 K N 0.739 121.144 120.400 0.010 0.000 2.519 110 K HA -0.080 4.241 4.320 0.001 0.000 0.196 110 K C 0.772 177.358 176.600 -0.023 0.000 1.041 110 K CA 0.749 57.038 56.287 0.002 0.000 0.954 110 K CB -0.113 32.391 32.500 0.007 0.000 0.774 110 K HN 0.368 nan 8.250 nan 0.000 0.480 111 D N 0.466 120.836 120.400 -0.051 0.000 2.240 111 D HA 0.073 4.713 4.640 0.001 0.000 0.206 111 D C 1.925 178.176 176.300 -0.082 0.000 0.963 111 D CA 0.346 54.309 54.000 -0.062 0.000 0.863 111 D CB 0.050 40.812 40.800 -0.063 0.000 0.973 111 D HN 0.134 nan 8.370 nan 0.000 0.501 112 I N 0.291 120.801 120.570 -0.100 0.000 2.353 112 I HA -0.177 3.993 4.170 0.001 0.000 0.248 112 I C 2.319 178.407 176.117 -0.049 0.000 1.119 112 I CA 0.435 61.675 61.300 -0.100 0.000 1.417 112 I CB -0.050 37.891 38.000 -0.099 0.000 1.078 112 I HN -0.140 nan 8.210 nan 0.000 0.421 113 V N 1.270 121.174 119.914 -0.016 0.000 2.332 113 V HA -0.321 3.800 4.120 0.001 0.000 0.248 113 V C 2.217 178.302 176.094 -0.014 0.000 1.055 113 V CA 2.379 64.685 62.300 0.009 0.000 1.038 113 V CB -0.812 31.027 31.823 0.028 0.000 0.651 113 V HN 0.472 nan 8.190 nan 0.000 0.450 114 N N -0.626 118.054 118.700 -0.033 0.000 2.309 114 N HA -0.111 4.629 4.740 0.001 0.000 0.182 114 N C 1.433 176.892 175.510 -0.086 0.000 1.018 114 N CA 0.927 53.951 53.050 -0.044 0.000 0.876 114 N CB -0.106 38.356 38.487 -0.041 0.000 0.972 114 N HN 0.288 nan 8.380 nan 0.000 0.434 115 L N 0.491 121.637 121.223 -0.129 0.000 2.023 115 L HA 0.098 4.439 4.340 0.001 0.000 0.205 115 L C 1.966 178.687 176.870 -0.249 0.000 1.073 115 L CA 1.135 55.824 54.840 -0.251 0.000 0.745 115 L CB -0.653 41.245 42.059 -0.268 0.000 0.900 115 L HN 0.211 nan 8.230 nan 0.000 0.435 116 I N -0.246 120.244 120.570 -0.133 0.000 2.151 116 I HA -0.393 3.777 4.170 0.001 0.000 0.243 116 I C 2.125 178.226 176.117 -0.027 0.000 1.080 116 I CA 1.288 62.549 61.300 -0.066 0.000 1.339 116 I CB -0.443 37.537 38.000 -0.034 0.000 1.039 116 I HN 0.389 nan 8.210 nan 0.000 0.409 117 N N 0.807 119.492 118.700 -0.025 0.000 2.043 117 N HA -0.166 4.574 4.740 0.001 0.000 0.193 117 N C 1.856 177.371 175.510 0.008 0.000 1.037 117 N CA 1.262 54.310 53.050 -0.003 0.000 0.851 117 N CB -0.403 38.086 38.487 0.003 0.000 1.027 117 N HN 0.259 nan 8.380 nan 0.000 0.422 118 R N 0.194 120.687 120.500 -0.012 0.000 2.152 118 R HA -0.044 4.296 4.340 0.001 0.000 0.232 118 R C 1.031 177.436 176.300 0.175 0.000 1.117 118 R CA 0.800 56.923 56.100 0.038 0.000 0.981 118 R CB -0.477 29.817 30.300 -0.009 0.000 0.870 118 R HN 0.622 nan 8.270 nan 0.000 0.451 119 H N -1.328 117.722 119.070 -0.034 0.000 2.533 119 H HA 0.105 4.661 4.556 0.001 0.000 0.271 119 H C 1.007 176.307 175.328 -0.047 0.000 1.000 119 H CA 0.105 56.128 56.048 -0.043 0.000 1.149 119 H CB 0.613 30.342 29.762 -0.055 0.000 1.375 119 H HN 0.476 nan 8.280 nan 0.000 0.582 120 G N 0.175 109.017 108.800 0.071 0.000 2.255 120 G HA2 -0.204 3.756 3.960 0.001 0.000 0.196 120 G HA3 -0.204 3.756 3.960 0.001 0.000 0.196 120 G C 0.644 175.537 174.900 -0.011 0.000 0.998 120 G CA -0.233 44.875 45.100 0.013 0.000 0.656 120 G HN 0.600 nan 8.290 nan 0.000 0.490 121 G N -0.400 108.396 108.800 -0.007 0.000 2.568 121 G HA2 0.587 4.548 3.960 0.001 0.000 0.293 121 G HA3 0.587 4.548 3.960 0.001 0.000 0.293 121 G C -0.356 174.523 174.900 -0.034 0.000 1.347 121 G CA 0.395 45.476 45.100 -0.032 0.000 1.039 121 G HN 0.864 nan 8.290 nan 0.000 0.523 122 S N -0.576 115.096 115.700 -0.046 0.000 2.774 122 S HA 0.651 5.121 4.470 0.001 0.000 0.297 122 S C -0.182 174.485 174.600 0.111 0.000 1.143 122 S CA -0.296 57.896 58.200 -0.013 0.000 1.090 122 S CB 1.138 64.205 63.200 -0.221 0.000 1.019 122 S HN 1.016 nan 8.310 nan 0.000 0.482 123 A N 3.769 126.672 122.820 0.138 0.000 2.355 123 A HA 0.881 5.201 4.320 0.001 0.000 0.324 123 A C -0.805 176.872 177.584 0.155 0.000 1.117 123 A CA -0.635 51.490 52.037 0.147 0.000 0.785 123 A CB 0.643 19.691 19.000 0.080 0.000 1.254 123 A HN 0.641 nan 8.150 nan 0.000 0.453 124 I N 1.696 122.342 120.570 0.128 0.000 2.406 124 I HA 0.438 4.609 4.170 0.001 0.000 0.290 124 I C 0.642 176.794 176.117 0.058 0.000 0.999 124 I CA -0.398 60.938 61.300 0.061 0.000 1.124 124 I CB 1.090 39.081 38.000 -0.016 0.000 1.289 124 I HN 0.732 nan 8.210 nan 0.000 0.441 125 G N 7.252 116.082 108.800 0.051 0.000 2.428 125 G HA2 0.640 4.601 3.960 0.001 0.000 0.320 125 G HA3 0.640 4.601 3.960 0.001 0.000 0.320 125 G C -0.550 174.380 174.900 0.050 0.000 1.098 125 G CA -0.265 44.876 45.100 0.068 0.000 0.984 125 G HN 0.440 nan 8.290 nan 0.000 0.444 126 L N 1.681 122.931 121.223 0.045 0.000 2.322 126 L HA 0.801 5.142 4.340 0.001 0.000 0.269 126 L C 0.791 177.675 176.870 0.025 0.000 1.012 126 L CA -0.967 53.888 54.840 0.025 0.000 0.815 126 L CB 2.322 44.387 42.059 0.009 0.000 1.295 126 L HN 0.552 nan 8.230 nan 0.000 0.438 127 T N -3.079 111.484 114.554 0.016 0.000 2.910 127 T HA 0.416 4.766 4.350 0.001 0.000 0.287 127 T C 1.045 175.750 174.700 0.007 0.000 1.050 127 T CA -0.144 61.962 62.100 0.010 0.000 1.011 127 T CB 1.478 70.356 68.868 0.018 0.000 1.195 127 T HN 0.662 nan 8.240 nan 0.000 0.540 128 G N 0.159 108.965 108.800 0.010 0.000 2.485 128 G HA2 -0.164 3.796 3.960 0.001 0.000 0.221 128 G HA3 -0.164 3.796 3.960 0.001 0.000 0.221 128 G C 1.302 176.214 174.900 0.021 0.000 1.115 128 G CA 0.521 45.631 45.100 0.017 0.000 0.751 128 G HN 0.783 nan 8.290 nan 0.000 0.567 129 K N 0.469 120.881 120.400 0.020 0.000 2.148 129 K HA -0.027 4.293 4.320 0.001 0.000 0.204 129 K C 0.078 176.684 176.600 0.010 0.000 1.050 129 K CA 0.423 56.720 56.287 0.017 0.000 0.942 129 K CB -0.003 32.504 32.500 0.012 0.000 0.724 129 K HN 0.203 nan 8.250 nan 0.000 0.446 130 D N 1.411 121.814 120.400 0.006 0.000 2.356 130 D HA 0.037 4.677 4.640 0.001 0.000 0.272 130 D C 0.419 176.717 176.300 -0.002 0.000 1.337 130 D CA 0.582 54.582 54.000 -0.001 0.000 0.970 130 D CB 0.534 41.332 40.800 -0.004 0.000 1.092 130 D HN 0.232 nan 8.370 nan 0.000 0.516 131 A N 4.239 127.057 122.820 -0.003 0.000 2.860 131 A HA -0.322 3.999 4.320 0.001 0.000 0.267 131 A C 0.782 178.367 177.584 0.002 0.000 1.421 131 A CA 1.249 53.284 52.037 -0.003 0.000 0.831 131 A CB -2.095 16.900 19.000 -0.009 0.000 1.041 131 A HN 0.762 nan 8.150 nan 0.000 0.623 132 E N -3.574 116.630 120.200 0.007 0.000 2.320 132 E HA -0.308 4.042 4.350 0.001 0.000 0.234 132 E C 0.586 177.191 176.600 0.009 0.000 1.183 132 E CA 0.582 56.989 56.400 0.011 0.000 0.713 132 E CB -1.749 27.959 29.700 0.012 0.000 1.226 132 E HN 1.347 nan 8.360 nan 0.000 0.382 133 L N -0.054 121.173 121.223 0.007 0.000 2.079 133 L HA -0.006 4.335 4.340 0.001 0.000 0.210 133 L C 0.854 177.727 176.870 0.005 0.000 1.081 133 L CA 2.055 56.898 54.840 0.005 0.000 0.752 133 L CB 0.286 42.347 42.059 0.003 0.000 0.896 133 L HN 0.339 nan 8.230 nan 0.000 0.433 134 I N 0.441 121.016 120.570 0.009 0.000 2.493 134 I HA 0.266 4.436 4.170 0.001 0.000 0.279 134 I C -0.187 175.937 176.117 0.011 0.000 1.045 134 I CA -0.485 60.819 61.300 0.006 0.000 1.106 134 I CB 1.110 39.113 38.000 0.005 0.000 1.216 134 I HN -0.025 nan 8.210 nan 0.000 0.459 135 R N 3.879 124.380 120.500 0.002 0.000 2.490 135 R HA 0.813 5.154 4.340 0.001 0.000 0.278 135 R C -0.195 176.085 176.300 -0.033 0.000 1.069 135 R CA -0.109 55.990 56.100 -0.002 0.000 1.080 135 R CB 1.438 31.734 30.300 -0.006 0.000 1.030 135 R HN 0.723 nan 8.270 nan 0.000 0.491 136 A N 1.766 124.547 122.820 -0.064 0.000 2.557 136 A HA 0.651 4.971 4.320 0.001 0.000 0.292 136 A C -1.639 175.732 177.584 -0.354 0.000 1.139 136 A CA -0.941 50.979 52.037 -0.195 0.000 0.665 136 A CB 1.685 20.558 19.000 -0.212 0.000 1.285 136 A HN 0.707 nan 8.150 nan 0.000 0.433 137 K N 0.475 120.527 120.400 -0.580 0.000 2.551 137 K HA 0.521 4.842 4.320 0.001 0.000 0.269 137 K C -0.877 175.276 176.600 -0.745 0.000 0.949 137 K CA -0.867 55.058 56.287 -0.604 0.000 0.849 137 K CB 1.763 34.123 32.500 -0.235 0.000 1.411 137 K HN 0.685 nan 8.250 nan 0.000 0.432 138 K N 1.502 121.604 120.400 -0.495 0.000 2.559 138 K HA -0.053 4.267 4.320 0.001 0.000 0.279 138 K C -0.371 176.174 176.600 -0.093 0.000 0.967 138 K CA -0.362 55.875 56.287 -0.083 0.000 1.000 138 K CB 0.314 32.926 32.500 0.187 0.000 0.890 138 K HN 0.536 nan 8.250 nan 0.000 0.501 139 L N 3.279 124.486 121.223 -0.027 0.000 2.375 139 L HA 0.213 4.554 4.340 0.001 0.000 0.271 139 L C -0.536 176.330 176.870 -0.006 0.000 1.107 139 L CA 0.471 55.295 54.840 -0.026 0.000 0.806 139 L CB 1.454 43.510 42.059 -0.006 0.000 1.146 139 L HN 0.621 nan 8.230 nan 0.000 0.447 140 T N 4.382 118.928 114.554 -0.012 0.000 2.743 140 T HA 0.545 4.895 4.350 0.001 0.000 0.293 140 T C 0.022 174.721 174.700 -0.001 0.000 0.945 140 T CA -0.415 61.682 62.100 -0.006 0.000 1.030 140 T CB 0.749 69.611 68.868 -0.010 0.000 0.912 140 T HN 0.399 nan 8.240 nan 0.000 0.483 141 V N 2.931 122.846 119.914 0.002 0.000 3.193 141 V HA 0.882 5.003 4.120 0.001 0.000 0.320 141 V C 0.507 176.603 176.094 0.003 0.000 1.112 141 V CA -0.638 61.664 62.300 0.004 0.000 1.026 141 V CB 2.104 33.931 31.823 0.006 0.000 1.128 141 V HN 0.975 nan 8.190 nan 0.000 0.452 142 T N 0.379 114.936 114.554 0.005 0.000 2.676 142 T HA 0.700 5.050 4.350 0.001 0.000 0.308 142 T C -1.359 173.345 174.700 0.006 0.000 1.740 142 T CA -0.633 61.470 62.100 0.004 0.000 0.982 142 T CB 1.694 70.564 68.868 0.003 0.000 1.724 142 T HN 0.824 nan 8.240 nan 0.000 0.497 143 R N 0.244 120.747 120.500 0.005 0.000 4.835 143 R HA 0.053 4.393 4.340 0.001 0.000 0.203 143 R C -1.201 175.103 176.300 0.006 0.000 0.858 143 R CA -0.080 56.024 56.100 0.006 0.000 0.916 143 R CB -0.545 29.760 30.300 0.009 0.000 1.397 143 R HN 0.938 nan 8.270 nan 0.000 0.517 144 Q N 0.325 120.129 119.800 0.006 0.000 2.726 144 Q HA 0.506 4.846 4.340 0.001 0.000 0.242 144 Q C -0.614 175.390 176.000 0.007 0.000 1.130 144 Q CA 0.409 56.216 55.803 0.006 0.000 1.031 144 Q CB 0.372 29.113 28.738 0.006 0.000 1.326 144 Q HN 0.551 nan 8.270 nan 0.000 0.572 145 T N 0.234 114.792 114.554 0.006 0.000 3.225 145 T HA 0.225 4.576 4.350 0.001 0.000 0.356 145 T C -2.458 172.245 174.700 0.005 0.000 1.460 145 T CA -0.970 61.134 62.100 0.007 0.000 1.126 145 T CB 1.504 70.376 68.868 0.006 0.000 1.321 145 T HN 0.417 nan 8.240 nan 0.000 0.478 146 P HA -0.109 nan 4.420 nan 0.000 0.229 146 P C 0.878 178.180 177.300 0.003 0.000 1.147 146 P CA 1.060 64.162 63.100 0.004 0.000 0.766 146 P CB 0.187 31.889 31.700 0.004 0.000 0.775 147 E N -1.514 118.688 120.200 0.003 0.000 2.364 147 E HA 0.049 4.400 4.350 0.001 0.000 0.203 147 E C 0.892 177.493 176.600 0.002 0.000 0.888 147 E CA -0.044 56.358 56.400 0.003 0.000 0.989 147 E CB -0.565 29.137 29.700 0.003 0.000 0.985 147 E HN 0.135 nan 8.360 nan 0.000 0.499 148 M N 1.117 120.718 119.600 0.003 0.000 2.184 148 M HA 0.357 4.837 4.480 0.001 0.000 0.351 148 M C 0.089 176.390 176.300 0.002 0.000 1.395 148 M CA 0.055 55.356 55.300 0.002 0.000 1.117 148 M CB 1.245 33.847 32.600 0.002 0.000 1.708 148 M HN -0.207 nan 8.290 nan 0.000 0.468 149 T N 2.904 117.459 114.554 0.002 0.000 2.699 149 T HA -0.134 4.217 4.350 0.001 0.000 0.268 149 T C 0.596 175.297 174.700 0.001 0.000 1.036 149 T CA 1.892 63.993 62.100 0.001 0.000 1.147 149 T CB -0.147 68.721 68.868 0.001 0.000 0.862 149 T HN 0.849 nan 8.240 nan 0.000 0.446 150 K N 0.607 121.008 120.400 0.001 0.000 2.502 150 K HA 0.572 4.892 4.320 0.001 0.000 0.257 150 K C -3.422 173.179 176.600 0.002 0.000 0.938 150 K CA -2.265 54.023 56.287 0.001 0.000 0.819 150 K CB 1.425 33.926 32.500 0.001 0.000 1.333 150 K HN -0.265 nan 8.250 nan 0.000 0.434 151 P HA -0.104 nan 4.420 nan 0.000 0.268 151 P C -1.164 176.136 177.300 0.001 0.000 1.189 151 P CA 0.374 63.475 63.100 0.002 0.000 0.771 151 P CB 0.408 32.110 31.700 0.002 0.000 0.822 152 E N 1.880 122.081 120.200 0.001 0.000 2.275 152 E HA 0.404 4.754 4.350 0.001 0.000 0.270 152 E C -0.990 175.610 176.600 -0.001 0.000 0.882 152 E CA -0.734 55.666 56.400 -0.000 0.000 0.758 152 E CB 0.601 30.301 29.700 -0.000 0.000 1.195 152 E HN 0.130 nan 8.360 nan 0.000 0.419 153 I N 4.054 124.623 120.570 -0.002 0.000 2.845 153 I HA 0.002 4.172 4.170 0.001 0.000 0.296 153 I C -0.139 175.975 176.117 -0.005 0.000 1.216 153 I CA 1.202 62.500 61.300 -0.003 0.000 1.438 153 I CB 0.193 38.190 38.000 -0.005 0.000 1.342 153 I HN 0.534 nan 8.210 nan 0.000 0.577 154 I N 5.725 126.292 120.570 -0.005 0.000 2.465 154 I HA 0.214 4.384 4.170 0.001 0.000 0.291 154 I C -0.300 175.810 176.117 -0.012 0.000 1.014 154 I CA -0.626 60.670 61.300 -0.007 0.000 1.093 154 I CB 1.671 39.670 38.000 -0.002 0.000 1.267 154 I HN 0.481 nan 8.210 nan 0.000 0.431 155 D N 7.429 127.818 120.400 -0.019 0.000 2.456 155 D HA 0.270 4.910 4.640 0.001 0.000 0.219 155 D C 0.632 176.912 176.300 -0.033 0.000 1.126 155 D CA -0.177 53.803 54.000 -0.033 0.000 0.890 155 D CB 0.941 41.713 40.800 -0.045 0.000 1.025 155 D HN 0.490 nan 8.370 nan 0.000 0.511 156 I N 2.971 123.527 120.570 -0.023 0.000 3.749 156 I HA 0.088 4.258 4.170 0.001 0.000 0.314 156 I C 1.653 177.759 176.117 -0.018 0.000 1.267 156 I CA 0.150 61.442 61.300 -0.013 0.000 1.169 156 I CB -0.298 37.706 38.000 0.007 0.000 1.009 156 I HN 0.639 nan 8.210 nan 0.000 0.444 157 G N 1.656 110.411 108.800 -0.075 0.000 2.588 157 G HA2 -0.299 3.661 3.960 0.001 0.000 0.273 157 G HA3 -0.299 3.661 3.960 0.001 0.000 0.273 157 G C -0.163 174.553 174.900 -0.306 0.000 1.211 157 G CA -0.145 44.845 45.100 -0.184 0.000 0.958 157 G HN 0.534 nan 8.290 nan 0.000 0.543 158 H N -0.051 119.001 119.070 -0.031 0.000 2.486 158 H HA 0.655 5.211 4.556 0.001 0.000 0.239 158 H C -0.488 174.882 175.328 0.071 0.000 1.480 158 H CA -0.151 55.851 56.048 -0.077 0.000 1.324 158 H CB 1.121 30.715 29.762 -0.280 0.000 1.486 158 H HN 0.443 nan 8.280 nan 0.000 0.544 159 V N 1.725 121.814 119.914 0.291 0.000 2.569 159 V HA 0.737 4.857 4.120 0.001 0.000 0.301 159 V C 0.499 176.737 176.094 0.240 0.000 1.044 159 V CA -0.489 61.957 62.300 0.243 0.000 0.874 159 V CB 1.819 33.715 31.823 0.122 0.000 1.002 159 V HN 0.851 nan 8.190 nan 0.000 0.424 160 G N 3.612 112.522 108.800 0.183 0.000 3.243 160 G HA2 0.804 4.764 3.960 0.001 0.000 0.248 160 G HA3 0.804 4.764 3.960 0.001 0.000 0.248 160 G C -1.086 173.777 174.900 -0.062 0.000 1.267 160 G CA -0.328 44.749 45.100 -0.039 0.000 0.906 160 G HN 0.739 nan 8.290 nan 0.000 0.592 161 E N -1.136 118.981 120.200 -0.138 0.000 2.367 161 E HA 0.550 4.900 4.350 0.001 0.000 0.273 161 E C -1.423 175.111 176.600 -0.110 0.000 0.903 161 E CA -0.771 55.575 56.400 -0.090 0.000 0.764 161 E CB 2.429 32.087 29.700 -0.070 0.000 1.252 161 E HN 0.263 nan 8.360 nan 0.000 0.446 162 V N 2.769 122.644 119.914 -0.066 0.000 2.555 162 V HA 0.104 4.225 4.120 0.001 0.000 0.286 162 V C 1.247 177.310 176.094 -0.052 0.000 1.044 162 V CA 0.763 63.030 62.300 -0.055 0.000 1.026 162 V CB 1.028 32.833 31.823 -0.030 0.000 0.981 162 V HN 0.994 nan 8.190 nan 0.000 0.480 163 T N 0.781 115.304 114.554 -0.051 0.000 3.018 163 T HA 0.415 4.765 4.350 0.001 0.000 0.246 163 T C 0.629 175.314 174.700 -0.025 0.000 1.026 163 T CA 0.513 62.588 62.100 -0.041 0.000 1.081 163 T CB 0.596 69.435 68.868 -0.048 0.000 0.970 163 T HN 1.025 nan 8.240 nan 0.000 0.475 164 G N 0.222 109.010 108.800 -0.020 0.000 2.673 164 G HA2 0.548 4.508 3.960 0.001 0.000 0.292 164 G HA3 0.548 4.508 3.960 0.001 0.000 0.292 164 G C -2.044 172.853 174.900 -0.006 0.000 1.450 164 G CA -0.563 44.531 45.100 -0.010 0.000 0.837 164 G HN 0.289 nan 8.290 nan 0.000 0.505 165 V N 1.221 121.134 119.914 -0.001 0.000 2.604 165 V HA 0.452 4.572 4.120 0.001 0.000 0.305 165 V C -0.341 175.755 176.094 0.004 0.000 1.043 165 V CA -1.293 61.008 62.300 0.002 0.000 0.888 165 V CB 1.930 33.756 31.823 0.004 0.000 0.995 165 V HN 0.734 nan 8.190 nan 0.000 0.429 166 N N 3.178 121.880 118.700 0.004 0.000 2.415 166 N HA 0.059 4.799 4.740 0.001 0.000 0.250 166 N C 0.608 176.121 175.510 0.006 0.000 1.127 166 N CA 0.176 53.228 53.050 0.004 0.000 0.945 166 N CB 1.643 40.131 38.487 0.002 0.000 1.196 166 N HN 0.655 nan 8.380 nan 0.000 0.499 167 V N 2.966 122.885 119.914 0.008 0.000 3.506 167 V HA 0.297 4.417 4.120 0.001 0.000 0.263 167 V C 1.547 177.648 176.094 0.013 0.000 1.203 167 V CA 1.501 63.809 62.300 0.012 0.000 1.133 167 V CB -0.222 31.609 31.823 0.014 0.000 0.802 167 V HN 0.522 nan 8.190 nan 0.000 0.459 168 G N 0.467 109.273 108.800 0.009 0.000 2.430 168 G HA2 -0.113 3.847 3.960 0.001 0.000 0.216 168 G HA3 -0.113 3.847 3.960 0.001 0.000 0.216 168 G C 1.332 176.236 174.900 0.006 0.000 1.146 168 G CA 0.972 46.078 45.100 0.009 0.000 0.793 168 G HN 0.514 nan 8.290 nan 0.000 0.537 169 L N 0.608 121.832 121.223 0.002 0.000 2.027 169 L HA 0.169 4.509 4.340 0.001 0.000 0.206 169 L C 2.573 179.442 176.870 -0.001 0.000 1.074 169 L CA 1.396 56.232 54.840 -0.006 0.000 0.745 169 L CB -0.593 41.460 42.059 -0.010 0.000 0.898 169 L HN 0.182 nan 8.230 nan 0.000 0.433 170 L N -0.459 120.770 121.223 0.010 0.000 2.027 170 L HA -0.184 4.157 4.340 0.001 0.000 0.206 170 L C 2.388 179.277 176.870 0.031 0.000 1.074 170 L CA 1.320 56.173 54.840 0.022 0.000 0.745 170 L CB -0.947 41.127 42.059 0.026 0.000 0.898 170 L HN 0.311 nan 8.230 nan 0.000 0.433 171 N N 0.061 118.777 118.700 0.028 0.000 2.060 171 N HA -0.269 4.471 4.740 0.001 0.000 0.195 171 N C 1.808 177.341 175.510 0.038 0.000 1.028 171 N CA 1.649 54.719 53.050 0.033 0.000 0.861 171 N CB -0.297 38.206 38.487 0.026 0.000 1.029 171 N HN 0.264 nan 8.380 nan 0.000 0.428 172 M N 0.026 119.643 119.600 0.027 0.000 2.117 172 M HA -0.130 4.350 4.480 0.001 0.000 0.262 172 M C 1.665 177.994 176.300 0.048 0.000 1.065 172 M CA 1.363 56.681 55.300 0.029 0.000 1.114 172 M CB -0.147 32.457 32.600 0.007 0.000 1.361 172 M HN 0.137 nan 8.290 nan 0.000 0.408 173 L N -0.464 120.781 121.223 0.035 0.000 2.083 173 L HA -0.196 4.145 4.340 0.001 0.000 0.209 173 L C 2.368 179.342 176.870 0.174 0.000 1.083 173 L CA 0.797 55.678 54.840 0.068 0.000 0.752 173 L CB -0.680 41.390 42.059 0.019 0.000 0.899 173 L HN 0.169 nan 8.230 nan 0.000 0.433 174 V N 0.087 120.071 119.914 0.115 0.000 2.237 174 V HA -0.331 3.789 4.120 0.001 0.000 0.245 174 V C 2.430 178.589 176.094 0.109 0.000 1.046 174 V CA 2.023 64.388 62.300 0.107 0.000 1.007 174 V CB -0.524 31.342 31.823 0.073 0.000 0.638 174 V HN 0.416 nan 8.190 nan 0.000 0.445 175 K N 0.326 120.780 120.400 0.091 0.000 2.442 175 K HA -0.163 4.158 4.320 0.001 0.000 0.200 175 K C 1.583 178.245 176.600 0.104 0.000 1.045 175 K CA 1.353 57.687 56.287 0.079 0.000 0.937 175 K CB -0.360 32.178 32.500 0.063 0.000 0.757 175 K HN 0.555 nan 8.250 nan 0.000 0.474 176 G N -0.435 108.474 108.800 0.182 0.000 3.277 176 G HA2 0.002 3.962 3.960 0.001 0.000 0.243 176 G HA3 0.002 3.962 3.960 0.001 0.000 0.243 176 G C -0.787 174.190 174.900 0.129 0.000 1.107 176 G CA 0.008 45.265 45.100 0.261 0.000 0.771 176 G HN 0.410 nan 8.290 nan 0.000 0.544 177 D N -0.768 119.670 120.400 0.062 0.000 2.739 177 D HA -0.149 4.491 4.640 0.001 0.000 0.240 177 D C -0.584 175.558 176.300 -0.264 0.000 1.114 177 D CA 0.908 54.852 54.000 -0.093 0.000 0.695 177 D CB -1.651 39.055 40.800 -0.156 0.000 1.078 177 D HN 0.348 nan 8.370 nan 0.000 0.434 178 F N -0.419 119.537 119.950 0.010 0.000 2.561 178 F HA 0.564 5.091 4.527 0.001 0.000 0.321 178 F C 0.792 176.598 175.800 0.010 0.000 1.065 178 F CA -1.070 56.935 58.000 0.010 0.000 0.934 178 F CB 1.234 40.241 39.000 0.012 0.000 1.215 178 F HN -0.245 nan 8.300 nan 0.000 0.471 179 I N 4.212 124.894 120.570 0.188 0.000 2.337 179 I HA 0.316 4.486 4.170 0.001 0.000 0.285 179 I C -2.456 173.734 176.117 0.121 0.000 1.041 179 I CA -1.966 59.402 61.300 0.112 0.000 1.199 179 I CB 0.797 38.828 38.000 0.053 0.000 1.370 179 I HN 0.221 nan 8.210 nan 0.000 0.470 180 P HA 0.051 nan 4.420 nan 0.000 0.263 180 P C -0.711 176.645 177.300 0.093 0.000 1.195 180 P CA 0.067 63.219 63.100 0.087 0.000 0.762 180 P CB 0.559 32.299 31.700 0.066 0.000 0.799 181 V N 6.435 126.408 119.914 0.099 0.000 2.334 181 V HA 0.331 4.451 4.120 0.001 0.000 0.281 181 V C 0.327 176.492 176.094 0.118 0.000 1.016 181 V CA -0.374 62.008 62.300 0.138 0.000 0.832 181 V CB 0.854 32.772 31.823 0.158 0.000 0.999 181 V HN 0.397 nan 8.190 nan 0.000 0.439 182 I N 4.072 124.685 120.570 0.072 0.000 2.359 182 I HA 0.707 4.878 4.170 0.001 0.000 0.294 182 I C 0.540 176.512 176.117 -0.241 0.000 0.987 182 I CA -0.447 60.838 61.300 -0.025 0.000 1.225 182 I CB 1.775 39.759 38.000 -0.026 0.000 1.366 182 I HN 0.617 nan 8.210 nan 0.000 0.466 183 A N 8.001 130.681 122.820 -0.234 0.000 2.306 183 A HA 0.679 4.999 4.320 0.001 0.000 0.314 183 A C -2.409 175.043 177.584 -0.219 0.000 1.164 183 A CA -1.589 50.186 52.037 -0.437 0.000 0.822 183 A CB 0.391 19.345 19.000 -0.077 0.000 1.130 183 A HN 0.490 nan 8.150 nan 0.000 0.496 184 P HA 0.385 nan 4.420 nan 0.000 0.247 184 P C -1.047 176.241 177.300 -0.019 0.000 1.756 184 P CA 0.483 63.534 63.100 -0.082 0.000 1.117 184 P CB -0.375 31.283 31.700 -0.070 0.000 1.869 185 I N 1.745 122.314 120.570 -0.002 0.000 2.529 185 I HA 0.404 4.574 4.170 0.001 0.000 0.284 185 I C 0.596 176.743 176.117 0.050 0.000 1.088 185 I CA -0.638 60.684 61.300 0.036 0.000 1.062 185 I CB 2.371 40.387 38.000 0.027 0.000 1.218 185 I HN 0.160 nan 8.210 nan 0.000 0.442 186 G N 4.869 113.725 108.800 0.092 0.000 2.491 186 G HA2 0.719 4.679 3.960 0.001 0.000 0.327 186 G HA3 0.719 4.679 3.960 0.001 0.000 0.327 186 G C -0.913 174.090 174.900 0.173 0.000 1.189 186 G CA -0.415 44.742 45.100 0.096 0.000 0.956 186 G HN 0.282 nan 8.290 nan 0.000 0.491 187 V N -0.597 119.401 119.914 0.140 0.000 2.864 187 V HA 0.831 4.951 4.120 0.001 0.000 0.314 187 V C 0.762 176.959 176.094 0.172 0.000 1.073 187 V CA -0.219 62.185 62.300 0.174 0.000 0.956 187 V CB 1.986 33.864 31.823 0.091 0.000 1.023 187 V HN 1.058 nan 8.190 nan 0.000 0.435 188 G N 0.692 109.639 108.800 0.246 0.000 2.537 188 G HA2 0.475 4.436 3.960 0.001 0.000 0.323 188 G HA3 0.475 4.436 3.960 0.001 0.000 0.323 188 G C 0.822 175.791 174.900 0.115 0.000 1.207 188 G CA 0.188 45.397 45.100 0.181 0.000 0.976 188 G HN 0.723 nan 8.290 nan 0.000 0.487 189 S N 0.516 116.260 115.700 0.074 0.000 2.423 189 S HA -0.174 4.297 4.470 0.001 0.000 0.238 189 S C 1.525 176.157 174.600 0.055 0.000 1.028 189 S CA 1.094 59.324 58.200 0.050 0.000 1.000 189 S CB -0.118 63.103 63.200 0.035 0.000 0.797 189 S HN 0.607 nan 8.310 nan 0.000 0.487 190 N N 1.360 120.106 118.700 0.077 0.000 2.362 190 N HA 0.166 4.906 4.740 0.001 0.000 0.204 190 N C 0.828 176.371 175.510 0.056 0.000 1.166 190 N CA 0.583 53.671 53.050 0.064 0.000 0.831 190 N CB 0.049 38.581 38.487 0.074 0.000 1.008 190 N HN 0.544 nan 8.380 nan 0.000 0.472 191 G N 1.804 110.641 108.800 0.061 0.000 2.370 191 G HA2 -0.273 3.687 3.960 0.001 0.000 0.293 191 G HA3 -0.273 3.687 3.960 0.001 0.000 0.293 191 G C -0.623 174.294 174.900 0.029 0.000 0.992 191 G CA 0.330 45.456 45.100 0.043 0.000 1.247 191 G HN 0.438 nan 8.290 nan 0.000 0.505 192 E N -0.058 120.173 120.200 0.052 0.000 2.312 192 E HA 0.746 5.096 4.350 0.001 0.000 0.267 192 E C 0.023 176.575 176.600 -0.080 0.000 0.894 192 E CA -0.818 55.553 56.400 -0.049 0.000 0.773 192 E CB 1.444 31.085 29.700 -0.099 0.000 1.241 192 E HN 0.125 nan 8.360 nan 0.000 0.432 193 S N 0.770 116.354 115.700 -0.193 0.000 2.652 193 S HA 0.564 5.034 4.470 0.001 0.000 0.270 193 S C -1.028 173.397 174.600 -0.292 0.000 1.243 193 S CA -0.500 57.627 58.200 -0.123 0.000 0.999 193 S CB 0.200 63.332 63.200 -0.113 0.000 0.973 193 S HN 0.418 nan 8.310 nan 0.000 0.544 194 Y N 0.317 120.635 120.300 0.029 0.000 2.436 194 Y HA 0.302 4.852 4.550 0.001 0.000 0.327 194 Y C -0.087 175.829 175.900 0.028 0.000 1.138 194 Y CA -0.993 57.137 58.100 0.049 0.000 1.042 194 Y CB 1.260 39.747 38.460 0.044 0.000 1.302 194 Y HN 0.654 nan 8.280 nan 0.000 0.439 195 N N 2.647 121.450 118.700 0.172 0.000 2.503 195 N HA 0.689 5.429 4.740 0.001 0.000 0.267 195 N C -1.323 174.247 175.510 0.100 0.000 1.214 195 N CA 0.164 53.276 53.050 0.104 0.000 0.959 195 N CB 0.587 39.119 38.487 0.075 0.000 1.142 195 N HN 0.577 nan 8.380 nan 0.000 0.455 196 I N 1.148 121.755 120.570 0.061 0.000 2.743 196 I HA 0.146 4.317 4.170 0.001 0.000 0.292 196 I C -0.691 175.439 176.117 0.022 0.000 1.343 196 I CA -1.069 60.255 61.300 0.040 0.000 1.038 196 I CB 1.680 39.697 38.000 0.028 0.000 1.311 196 I HN 0.526 nan 8.210 nan 0.000 0.426 197 N N 3.722 122.433 118.700 0.018 0.000 2.394 197 N HA 0.010 4.750 4.740 0.001 0.000 0.277 197 N C 1.017 176.527 175.510 -0.000 0.000 1.346 197 N CA 0.745 53.801 53.050 0.011 0.000 0.910 197 N CB 1.323 39.816 38.487 0.010 0.000 1.201 197 N HN 0.818 nan 8.380 nan 0.000 0.488 198 A N 3.873 126.689 122.820 -0.007 0.000 2.084 198 A HA -0.216 4.105 4.320 0.001 0.000 0.221 198 A C 1.717 179.295 177.584 -0.011 0.000 1.161 198 A CA 1.835 53.860 52.037 -0.020 0.000 0.653 198 A CB -0.326 18.660 19.000 -0.024 0.000 0.802 198 A HN 0.778 nan 8.150 nan 0.000 0.457 199 D N -0.249 120.148 120.400 -0.006 0.000 2.084 199 D HA -0.095 4.546 4.640 0.001 0.000 0.196 199 D C 1.969 178.270 176.300 0.002 0.000 0.985 199 D CA 1.287 55.286 54.000 -0.001 0.000 0.826 199 D CB -0.139 40.659 40.800 -0.004 0.000 0.978 199 D HN 0.442 nan 8.370 nan 0.000 0.456 200 L N 0.162 121.385 121.223 -0.001 0.000 1.970 200 L HA -0.186 4.155 4.340 0.001 0.000 0.212 200 L C 2.476 179.345 176.870 -0.002 0.000 1.071 200 L CA 0.803 55.642 54.840 -0.001 0.000 0.751 200 L CB -0.881 41.177 42.059 -0.003 0.000 0.889 200 L HN 0.034 nan 8.230 nan 0.000 0.432 201 V N 0.614 120.524 119.914 -0.006 0.000 2.250 201 V HA -0.386 3.734 4.120 0.001 0.000 0.250 201 V C 2.835 178.927 176.094 -0.003 0.000 1.060 201 V CA 2.161 64.456 62.300 -0.009 0.000 1.030 201 V CB -1.116 30.695 31.823 -0.021 0.000 0.643 201 V HN 0.551 nan 8.190 nan 0.000 0.445 202 A N 0.074 122.894 122.820 0.001 0.000 2.024 202 A HA -0.108 4.212 4.320 0.001 0.000 0.220 202 A C 2.337 179.934 177.584 0.022 0.000 1.164 202 A CA 2.075 54.122 52.037 0.016 0.000 0.643 202 A CB -1.020 17.995 19.000 0.024 0.000 0.806 202 A HN 0.588 nan 8.150 nan 0.000 0.451 203 G N -0.572 108.238 108.800 0.016 0.000 2.408 203 G HA2 -0.080 3.880 3.960 0.001 0.000 0.213 203 G HA3 -0.080 3.880 3.960 0.001 0.000 0.213 203 G C 1.591 176.501 174.900 0.016 0.000 1.177 203 G CA 0.738 45.849 45.100 0.019 0.000 0.802 203 G HN 0.340 nan 8.290 nan 0.000 0.533 204 K N 0.708 121.113 120.400 0.009 0.000 2.001 204 K HA -0.084 4.236 4.320 0.001 0.000 0.214 204 K C 2.596 179.202 176.600 0.011 0.000 1.050 204 K CA 1.012 57.302 56.287 0.006 0.000 0.934 204 K CB -1.273 31.226 32.500 -0.001 0.000 0.718 204 K HN 0.208 nan 8.250 nan 0.000 0.443 205 V N 1.578 121.499 119.914 0.012 0.000 2.370 205 V HA -0.296 3.824 4.120 0.001 0.000 0.252 205 V C 2.427 178.536 176.094 0.025 0.000 1.068 205 V CA 2.140 64.451 62.300 0.017 0.000 1.061 205 V CB -0.806 31.028 31.823 0.019 0.000 0.656 205 V HN 0.379 nan 8.190 nan 0.000 0.455 206 A N -1.100 121.737 122.820 0.028 0.000 1.970 206 A HA -0.131 4.190 4.320 0.001 0.000 0.216 206 A C 2.153 179.756 177.584 0.032 0.000 1.170 206 A CA 1.268 53.327 52.037 0.035 0.000 0.645 206 A CB -0.275 18.750 19.000 0.041 0.000 0.816 206 A HN 0.614 nan 8.150 nan 0.000 0.447 207 E N -0.002 120.213 120.200 0.025 0.000 2.001 207 E HA -0.123 4.227 4.350 0.001 0.000 0.195 207 E C 2.401 179.013 176.600 0.019 0.000 1.002 207 E CA 0.949 57.361 56.400 0.021 0.000 0.819 207 E CB -0.366 29.343 29.700 0.015 0.000 0.769 207 E HN 0.537 nan 8.360 nan 0.000 0.454 208 A N 1.091 123.920 122.820 0.016 0.000 1.958 208 A HA -0.214 4.107 4.320 0.001 0.000 0.221 208 A C 2.101 179.697 177.584 0.019 0.000 1.178 208 A CA 1.441 53.487 52.037 0.015 0.000 0.642 208 A CB -0.452 18.555 19.000 0.012 0.000 0.816 208 A HN 0.198 nan 8.150 nan 0.000 0.453 209 L N -1.443 119.794 121.223 0.024 0.000 2.529 209 L HA 0.131 4.471 4.340 0.001 0.000 0.223 209 L C -0.000 176.889 176.870 0.033 0.000 1.113 209 L CA 0.424 55.282 54.840 0.029 0.000 0.861 209 L CB -0.168 41.911 42.059 0.034 0.000 1.012 209 L HN 0.274 nan 8.230 nan 0.000 0.461 210 K N 0.447 120.866 120.400 0.031 0.000 4.838 210 K HA -0.191 4.129 4.320 0.001 0.000 0.300 210 K C -0.018 176.609 176.600 0.045 0.000 0.861 210 K CA 1.038 57.345 56.287 0.034 0.000 0.929 210 K CB -2.075 30.442 32.500 0.029 0.000 1.772 210 K HN 0.320 nan 8.250 nan 0.000 0.422 211 A N 0.993 123.845 122.820 0.054 0.000 2.294 211 A HA 0.393 4.713 4.320 0.001 0.000 0.330 211 A C 1.399 179.037 177.584 0.089 0.000 1.133 211 A CA -0.235 51.844 52.037 0.070 0.000 0.836 211 A CB 0.785 19.827 19.000 0.069 0.000 1.190 211 A HN 0.488 nan 8.150 nan 0.000 0.492 212 E N -0.012 120.262 120.200 0.123 0.000 2.204 212 E HA -0.054 4.296 4.350 0.001 0.000 0.194 212 E C 0.297 177.010 176.600 0.188 0.000 0.989 212 E CA 1.388 57.886 56.400 0.163 0.000 0.824 212 E CB 0.028 29.875 29.700 0.245 0.000 0.756 212 E HN 0.480 nan 8.360 nan 0.000 0.477 213 K N -0.260 120.236 120.400 0.160 0.000 2.561 213 K HA 0.239 4.559 4.320 0.001 0.000 0.254 213 K C -2.059 174.595 176.600 0.090 0.000 0.942 213 K CA -0.797 55.573 56.287 0.138 0.000 0.818 213 K CB 1.184 33.780 32.500 0.161 0.000 1.306 213 K HN 0.021 nan 8.250 nan 0.000 0.435 214 L N 5.133 126.408 121.223 0.086 0.000 2.262 214 L HA 0.518 4.858 4.340 0.001 0.000 0.288 214 L C -0.982 175.938 176.870 0.083 0.000 1.035 214 L CA -0.044 54.840 54.840 0.072 0.000 0.820 214 L CB 1.082 43.176 42.059 0.059 0.000 1.204 214 L HN 0.778 nan 8.230 nan 0.000 0.424 215 M N 6.088 125.734 119.600 0.078 0.000 2.101 215 M HA 0.455 4.935 4.480 0.001 0.000 0.340 215 M C -1.654 174.697 176.300 0.084 0.000 1.057 215 M CA -0.419 54.933 55.300 0.087 0.000 0.984 215 M CB 0.792 33.428 32.600 0.061 0.000 1.560 215 M HN 0.640 nan 8.290 nan 0.000 0.435 216 L N 6.354 127.622 121.223 0.076 0.000 2.264 216 L HA 0.458 4.799 4.340 0.001 0.000 0.289 216 L C -0.886 176.007 176.870 0.039 0.000 1.044 216 L CA -0.545 54.325 54.840 0.049 0.000 0.807 216 L CB 1.288 43.367 42.059 0.032 0.000 1.192 216 L HN 0.695 nan 8.230 nan 0.000 0.425 217 L N 3.534 124.767 121.223 0.017 0.000 2.257 217 L HA 0.444 4.784 4.340 0.001 0.000 0.290 217 L C 0.258 177.084 176.870 -0.073 0.000 1.044 217 L CA 0.091 54.921 54.840 -0.017 0.000 0.810 217 L CB 1.557 43.601 42.059 -0.024 0.000 1.193 217 L HN 0.606 nan 8.230 nan 0.000 0.425 218 T N 0.520 115.041 114.554 -0.054 0.000 2.773 218 T HA 0.321 4.672 4.350 0.001 0.000 0.278 218 T C 0.088 174.749 174.700 -0.064 0.000 1.011 218 T CA -0.673 61.387 62.100 -0.067 0.000 1.014 218 T CB 1.322 70.164 68.868 -0.043 0.000 1.293 218 T HN 0.661 nan 8.240 nan 0.000 0.554 219 N N 1.354 120.018 118.700 -0.061 0.000 2.451 219 N HA 0.390 5.130 4.740 0.001 0.000 0.264 219 N C -0.558 174.932 175.510 -0.033 0.000 1.167 219 N CA -0.364 52.656 53.050 -0.051 0.000 0.898 219 N CB -0.285 38.168 38.487 -0.057 0.000 1.176 219 N HN 0.546 nan 8.380 nan 0.000 0.507 220 I N -2.178 118.376 120.570 -0.026 0.000 3.006 220 I HA 0.578 4.748 4.170 0.001 0.000 0.306 220 I C 0.700 176.812 176.117 -0.008 0.000 1.250 220 I CA -0.866 60.422 61.300 -0.019 0.000 0.996 220 I CB 1.613 39.597 38.000 -0.027 0.000 1.261 220 I HN -0.032 nan 8.210 nan 0.000 0.442 221 A N 3.315 126.134 122.820 -0.003 0.000 1.948 221 A HA 0.350 4.671 4.320 0.001 0.000 0.220 221 A C 1.136 178.730 177.584 0.017 0.000 1.177 221 A CA 2.032 54.074 52.037 0.008 0.000 0.636 221 A CB -0.974 18.031 19.000 0.008 0.000 0.815 221 A HN 1.396 nan 8.150 nan 0.000 0.449 222 G N -2.675 106.127 108.800 0.004 0.000 2.452 222 G HA2 0.408 4.368 3.960 0.001 0.000 0.224 222 G HA3 0.408 4.368 3.960 0.001 0.000 0.224 222 G C -1.273 173.614 174.900 -0.020 0.000 1.208 222 G CA -0.169 44.934 45.100 0.006 0.000 0.946 222 G HN 0.820 nan 8.290 nan 0.000 0.481 223 L N 0.536 121.743 121.223 -0.026 0.000 2.350 223 L HA 0.907 5.248 4.340 0.001 0.000 0.275 223 L C -0.015 176.829 176.870 -0.042 0.000 1.099 223 L CA -0.205 54.606 54.840 -0.048 0.000 0.808 223 L CB 1.095 43.124 42.059 -0.049 0.000 1.149 223 L HN 0.615 nan 8.230 nan 0.000 0.442 224 M N 3.510 123.076 119.600 -0.057 0.000 2.457 224 M HA 0.351 4.831 4.480 0.001 0.000 0.300 224 M C -0.988 175.292 176.300 -0.034 0.000 1.141 224 M CA -0.917 54.361 55.300 -0.037 0.000 0.901 224 M CB 1.947 34.530 32.600 -0.029 0.000 1.687 224 M HN 0.744 nan 8.290 nan 0.000 0.449 225 D N 2.305 122.696 120.400 -0.015 0.000 2.414 225 D HA 0.153 4.793 4.640 0.001 0.000 0.251 225 D C 0.265 176.571 176.300 0.009 0.000 1.252 225 D CA -0.181 53.817 54.000 -0.004 0.000 0.999 225 D CB 0.744 41.544 40.800 0.001 0.000 1.093 225 D HN 0.529 nan 8.370 nan 0.000 0.515 226 K N -1.013 119.400 120.400 0.022 0.000 2.217 226 K HA -0.154 4.167 4.320 0.001 0.000 0.202 226 K C 1.597 178.214 176.600 0.027 0.000 1.051 226 K CA 0.733 57.042 56.287 0.035 0.000 0.952 226 K CB -0.142 32.382 32.500 0.041 0.000 0.736 226 K HN 0.323 nan 8.250 nan 0.000 0.453 227 Q N 1.083 120.894 119.800 0.018 0.000 2.491 227 Q HA 0.014 4.354 4.340 0.001 0.000 0.214 227 Q C 0.128 176.136 176.000 0.014 0.000 0.970 227 Q CA 0.376 56.188 55.803 0.015 0.000 0.960 227 Q CB -0.649 28.096 28.738 0.011 0.000 0.996 227 Q HN 0.414 nan 8.270 nan 0.000 0.524 228 G N 1.529 110.338 108.800 0.015 0.000 2.386 228 G HA2 -0.253 3.708 3.960 0.001 0.000 0.295 228 G HA3 -0.253 3.708 3.960 0.001 0.000 0.295 228 G C -0.659 174.246 174.900 0.008 0.000 0.979 228 G CA 0.465 45.572 45.100 0.013 0.000 1.193 228 G HN 0.301 nan 8.290 nan 0.000 0.508 229 Q N -1.033 118.769 119.800 0.005 0.000 2.394 229 Q HA 0.582 4.922 4.340 0.001 0.000 0.273 229 Q C 0.220 176.219 176.000 -0.001 0.000 1.089 229 Q CA -0.941 54.864 55.803 0.004 0.000 0.812 229 Q CB 2.413 31.154 28.738 0.005 0.000 1.353 229 Q HN 0.207 nan 8.270 nan 0.000 0.438 230 V N 2.506 122.420 119.914 0.001 0.000 2.614 230 V HA 0.248 4.368 4.120 0.001 0.000 0.291 230 V C 0.483 176.575 176.094 -0.004 0.000 1.049 230 V CA -0.135 62.164 62.300 -0.001 0.000 1.038 230 V CB 0.484 32.312 31.823 0.007 0.000 0.980 230 V HN 0.516 nan 8.190 nan 0.000 0.481 231 L N 4.003 125.219 121.223 -0.012 0.000 2.334 231 L HA 0.788 5.128 4.340 0.001 0.000 0.270 231 L C 0.094 176.951 176.870 -0.023 0.000 1.018 231 L CA -0.232 54.599 54.840 -0.015 0.000 0.811 231 L CB 2.171 44.218 42.059 -0.020 0.000 1.271 231 L HN 0.698 nan 8.230 nan 0.000 0.443 232 T N -1.106 113.432 114.554 -0.027 0.000 2.769 232 T HA 0.416 4.766 4.350 0.001 0.000 0.306 232 T C 0.090 174.766 174.700 -0.039 0.000 1.400 232 T CA -0.033 62.039 62.100 -0.045 0.000 1.007 232 T CB 1.645 70.487 68.868 -0.045 0.000 1.392 232 T HN 0.940 nan 8.240 nan 0.000 0.500 233 G N 1.159 109.928 108.800 -0.052 0.000 2.356 233 G HA2 -0.220 3.740 3.960 0.001 0.000 0.296 233 G HA3 -0.220 3.740 3.960 0.001 0.000 0.296 233 G C -0.028 174.857 174.900 -0.025 0.000 1.022 233 G CA 0.301 45.380 45.100 -0.035 0.000 0.961 233 G HN 0.636 nan 8.290 nan 0.000 0.510 234 L N 0.446 121.651 121.223 -0.029 0.000 2.418 234 L HA 0.556 4.896 4.340 0.001 0.000 0.265 234 L C 1.323 178.183 176.870 -0.017 0.000 1.143 234 L CA 0.099 54.926 54.840 -0.021 0.000 0.809 234 L CB 1.180 43.224 42.059 -0.024 0.000 1.124 234 L HN 0.494 nan 8.230 nan 0.000 0.456 235 S N -0.426 115.267 115.700 -0.012 0.000 2.768 235 S HA 0.372 4.842 4.470 0.001 0.000 0.300 235 S C 0.741 175.336 174.600 -0.007 0.000 1.122 235 S CA -0.509 57.686 58.200 -0.008 0.000 0.995 235 S CB 1.492 64.689 63.200 -0.006 0.000 1.195 235 S HN 0.596 nan 8.310 nan 0.000 0.547 236 T N 1.303 115.854 114.554 -0.005 0.000 2.732 236 T HA -0.029 4.322 4.350 0.001 0.000 0.261 236 T C 1.508 176.206 174.700 -0.003 0.000 1.040 236 T CA 1.765 63.863 62.100 -0.004 0.000 1.145 236 T CB -0.671 68.195 68.868 -0.002 0.000 0.866 236 T HN 0.711 nan 8.240 nan 0.000 0.427 237 E N 1.792 121.991 120.200 -0.002 0.000 2.068 237 E HA -0.228 4.122 4.350 0.001 0.000 0.207 237 E C 2.390 178.988 176.600 -0.002 0.000 1.032 237 E CA 1.594 57.993 56.400 -0.001 0.000 0.839 237 E CB -0.380 29.319 29.700 -0.001 0.000 0.758 237 E HN 0.543 nan 8.360 nan 0.000 0.457 238 Q N -0.012 119.786 119.800 -0.003 0.000 2.135 238 Q HA -0.149 4.191 4.340 0.001 0.000 0.204 238 Q C 2.312 178.309 176.000 -0.005 0.000 0.981 238 Q CA 1.434 57.234 55.803 -0.004 0.000 0.856 238 Q CB -0.123 28.612 28.738 -0.006 0.000 0.902 238 Q HN 0.155 nan 8.270 nan 0.000 0.425 239 V N 1.697 121.607 119.914 -0.007 0.000 2.295 239 V HA -0.270 3.851 4.120 0.001 0.000 0.246 239 V C 1.844 177.935 176.094 -0.005 0.000 1.049 239 V CA 1.750 64.045 62.300 -0.009 0.000 1.024 239 V CB -0.569 31.248 31.823 -0.011 0.000 0.648 239 V HN 0.441 nan 8.190 nan 0.000 0.447 240 N N -0.077 118.622 118.700 -0.002 0.000 2.166 240 N HA -0.181 4.559 4.740 0.001 0.000 0.186 240 N C 1.821 177.334 175.510 0.005 0.000 1.019 240 N CA 1.451 54.502 53.050 0.002 0.000 0.856 240 N CB -0.117 38.371 38.487 0.002 0.000 0.993 240 N HN 0.620 nan 8.380 nan 0.000 0.426 241 E N 0.858 121.060 120.200 0.004 0.000 2.072 241 E HA -0.032 4.318 4.350 0.001 0.000 0.190 241 E C 2.061 178.666 176.600 0.008 0.000 0.982 241 E CA 0.448 56.852 56.400 0.006 0.000 0.803 241 E CB -0.017 29.686 29.700 0.004 0.000 0.755 241 E HN 0.281 nan 8.360 nan 0.000 0.453 242 L N 0.642 121.868 121.223 0.004 0.000 2.291 242 L HA -0.109 4.231 4.340 0.001 0.000 0.214 242 L C 2.225 179.102 176.870 0.011 0.000 1.120 242 L CA 0.581 55.424 54.840 0.005 0.000 0.799 242 L CB -0.040 42.015 42.059 -0.007 0.000 0.925 242 L HN 0.158 nan 8.230 nan 0.000 0.446 243 I N -0.916 119.660 120.570 0.011 0.000 2.480 243 I HA -0.148 4.022 4.170 0.001 0.000 0.251 243 I C 2.660 178.795 176.117 0.030 0.000 1.124 243 I CA 0.786 62.098 61.300 0.020 0.000 1.444 243 I CB -0.189 37.819 38.000 0.014 0.000 1.098 243 I HN 0.150 nan 8.210 nan 0.000 0.428 244 A N 1.203 124.036 122.820 0.022 0.000 1.898 244 A HA -0.239 4.082 4.320 0.001 0.000 0.216 244 A C 1.889 179.488 177.584 0.025 0.000 1.181 244 A CA 2.046 54.095 52.037 0.021 0.000 0.620 244 A CB -0.576 18.433 19.000 0.014 0.000 0.819 244 A HN 0.572 nan 8.150 nan 0.000 0.442 245 D N -2.188 118.227 120.400 0.026 0.000 2.355 245 D HA 0.226 4.866 4.640 0.001 0.000 0.218 245 D C 1.207 177.532 176.300 0.041 0.000 1.004 245 D CA 1.272 55.288 54.000 0.028 0.000 0.880 245 D CB -0.330 40.484 40.800 0.023 0.000 0.911 245 D HN 0.835 nan 8.370 nan 0.000 0.528 246 G N -0.659 108.176 108.800 0.058 0.000 2.218 246 G HA2 -0.319 3.642 3.960 0.001 0.000 0.216 246 G HA3 -0.319 3.642 3.960 0.001 0.000 0.216 246 G C 1.206 176.202 174.900 0.161 0.000 0.994 246 G CA 0.491 45.648 45.100 0.095 0.000 0.637 246 G HN 0.338 nan 8.290 nan 0.000 0.505 247 T N 1.160 115.776 114.554 0.103 0.000 2.580 247 T HA 0.004 4.354 4.350 0.001 0.000 0.265 247 T C 1.417 176.137 174.700 0.033 0.000 1.063 247 T CA 1.427 63.579 62.100 0.086 0.000 1.170 247 T CB -0.109 68.775 68.868 0.027 0.000 0.863 247 T HN 0.474 nan 8.240 nan 0.000 0.418 248 I N 1.877 122.433 120.570 -0.023 0.000 2.395 248 I HA 0.400 4.570 4.170 0.001 0.000 0.289 248 I C -0.397 175.687 176.117 -0.056 0.000 1.023 248 I CA -0.806 60.404 61.300 -0.151 0.000 1.350 248 I CB 0.589 38.533 38.000 -0.094 0.000 1.409 248 I HN 0.351 nan 8.210 nan 0.000 0.507 249 Y N 3.569 123.868 120.300 -0.003 0.000 2.840 249 Y HA 0.807 5.357 4.550 0.001 0.000 0.324 249 Y C 0.319 176.216 175.900 -0.004 0.000 1.378 249 Y CA -0.783 57.315 58.100 -0.003 0.000 1.077 249 Y CB 0.024 38.482 38.460 -0.003 0.000 1.361 249 Y HN 0.804 nan 8.280 nan 0.000 0.459 250 G N 0.372 109.364 108.800 0.320 0.000 2.564 250 G HA2 -0.100 3.860 3.960 0.001 0.000 0.273 250 G HA3 -0.100 3.860 3.960 0.001 0.000 0.273 250 G C 0.959 175.898 174.900 0.065 0.000 1.242 250 G CA 0.662 45.878 45.100 0.194 0.000 0.951 250 G HN 1.908 nan 8.290 nan 0.000 0.564 251 G N -1.040 107.780 108.800 0.033 0.000 2.535 251 G HA2 0.108 4.068 3.960 0.001 0.000 0.218 251 G HA3 0.108 4.068 3.960 0.001 0.000 0.218 251 G C 1.667 176.552 174.900 -0.024 0.000 1.122 251 G CA 1.948 47.050 45.100 0.003 0.000 0.769 251 G HN 0.742 nan 8.290 nan 0.000 0.549 252 M N 0.095 119.660 119.600 -0.058 0.000 2.319 252 M HA 0.248 4.728 4.480 0.001 0.000 0.265 252 M C 2.169 178.431 176.300 -0.064 0.000 1.068 252 M CA 0.894 56.140 55.300 -0.089 0.000 1.118 252 M CB -0.233 32.259 32.600 -0.180 0.000 1.395 252 M HN 0.168 nan 8.290 nan 0.000 0.435 253 L N -0.320 120.878 121.223 -0.042 0.000 1.973 253 L HA -0.135 4.205 4.340 0.001 0.000 0.208 253 L C -0.409 176.454 176.870 -0.012 0.000 1.073 253 L CA 1.401 56.229 54.840 -0.019 0.000 0.746 253 L CB -2.300 39.764 42.059 0.009 0.000 0.891 253 L HN 0.143 nan 8.230 nan 0.000 0.433 254 P HA -0.246 nan 4.420 nan 0.000 0.215 254 P C 1.444 178.740 177.300 -0.007 0.000 1.163 254 P CA 1.564 64.663 63.100 -0.001 0.000 0.894 254 P CB -0.018 31.683 31.700 0.003 0.000 0.791 255 K N -0.273 120.119 120.400 -0.013 0.000 2.020 255 K HA -0.188 4.132 4.320 0.001 0.000 0.212 255 K C 2.003 178.595 176.600 -0.013 0.000 1.050 255 K CA 1.819 58.097 56.287 -0.015 0.000 0.929 255 K CB -0.675 31.810 32.500 -0.025 0.000 0.714 255 K HN 0.047 nan 8.250 nan 0.000 0.443 256 I N 0.141 120.699 120.570 -0.020 0.000 2.252 256 I HA -0.220 3.950 4.170 0.001 0.000 0.245 256 I C 2.517 178.628 176.117 -0.010 0.000 1.102 256 I CA 0.921 62.210 61.300 -0.018 0.000 1.385 256 I CB -0.229 37.754 38.000 -0.027 0.000 1.064 256 I HN 0.157 nan 8.210 nan 0.000 0.414 257 R N 0.192 120.686 120.500 -0.009 0.000 2.119 257 R HA -0.267 4.073 4.340 0.001 0.000 0.246 257 R C 2.572 178.871 176.300 -0.002 0.000 1.146 257 R CA 2.137 58.234 56.100 -0.004 0.000 0.962 257 R CB -0.854 29.445 30.300 -0.002 0.000 0.863 257 R HN 0.587 nan 8.270 nan 0.000 0.442 258 C N -0.111 119.189 119.300 -0.001 0.000 2.413 258 C HA -0.122 4.338 4.460 0.001 0.000 0.278 258 C C 2.782 177.776 174.990 0.007 0.000 1.224 258 C CA 1.286 60.306 59.018 0.003 0.000 1.732 258 C CB -1.155 26.588 27.740 0.004 0.000 2.050 258 C HN 0.584 nan 8.230 nan 0.000 0.463 259 A N 0.117 122.941 122.820 0.007 0.000 1.972 259 A HA -0.032 4.288 4.320 0.001 0.000 0.219 259 A C 2.163 179.752 177.584 0.007 0.000 1.169 259 A CA 1.708 53.752 52.037 0.011 0.000 0.635 259 A CB -0.807 18.199 19.000 0.009 0.000 0.810 259 A HN 0.789 nan 8.150 nan 0.000 0.446 260 L N 0.074 121.298 121.223 0.002 0.000 1.944 260 L HA -0.255 4.086 4.340 0.001 0.000 0.218 260 L C 2.430 179.302 176.870 0.004 0.000 1.075 260 L CA 2.558 57.398 54.840 0.001 0.000 0.767 260 L CB -0.489 41.569 42.059 -0.002 0.000 0.890 260 L HN 0.514 nan 8.230 nan 0.000 0.434 261 E N -0.563 119.640 120.200 0.004 0.000 2.209 261 E HA -0.239 4.111 4.350 0.001 0.000 0.196 261 E C 1.999 178.604 176.600 0.009 0.000 0.993 261 E CA 0.970 57.373 56.400 0.005 0.000 0.819 261 E CB -0.251 29.451 29.700 0.003 0.000 0.745 261 E HN 0.701 nan 8.360 nan 0.000 0.477 262 A N 0.684 123.512 122.820 0.013 0.000 1.898 262 A HA -0.041 4.280 4.320 0.001 0.000 0.214 262 A C 2.420 180.017 177.584 0.021 0.000 1.183 262 A CA 0.545 52.593 52.037 0.019 0.000 0.622 262 A CB -0.279 18.736 19.000 0.025 0.000 0.824 262 A HN 0.103 nan 8.150 nan 0.000 0.444 263 V N 0.372 120.298 119.914 0.020 0.000 2.379 263 V HA -0.238 3.882 4.120 0.001 0.000 0.245 263 V C 2.673 178.776 176.094 0.016 0.000 1.044 263 V CA 2.108 64.421 62.300 0.021 0.000 1.036 263 V CB -0.531 31.303 31.823 0.017 0.000 0.664 263 V HN 0.803 nan 8.190 nan 0.000 0.453 264 Q N 0.164 119.971 119.800 0.011 0.000 2.437 264 Q HA -0.092 4.248 4.340 0.001 0.000 0.210 264 Q C 1.742 177.747 176.000 0.009 0.000 0.972 264 Q CA 1.499 57.307 55.803 0.008 0.000 0.903 264 Q CB -0.091 28.651 28.738 0.005 0.000 0.967 264 Q HN 0.628 nan 8.270 nan 0.000 0.486 265 G N -1.044 107.764 108.800 0.012 0.000 3.126 265 G HA2 0.331 4.292 3.960 0.001 0.000 0.224 265 G HA3 0.331 4.292 3.960 0.001 0.000 0.224 265 G C 0.756 175.666 174.900 0.015 0.000 1.142 265 G CA 0.254 45.361 45.100 0.012 0.000 0.759 265 G HN 0.515 nan 8.290 nan 0.000 0.550 266 G N -1.197 107.613 108.800 0.018 0.000 2.205 266 G HA2 -0.175 3.785 3.960 0.001 0.000 0.180 266 G HA3 -0.175 3.785 3.960 0.001 0.000 0.180 266 G C -0.013 174.904 174.900 0.028 0.000 1.004 266 G CA -0.022 45.090 45.100 0.020 0.000 0.670 266 G HN 0.570 nan 8.290 nan 0.000 0.496 267 V N 2.383 122.317 119.914 0.033 0.000 2.383 267 V HA 0.394 4.515 4.120 0.001 0.000 0.275 267 V C 1.929 178.052 176.094 0.048 0.000 1.036 267 V CA 0.648 62.976 62.300 0.046 0.000 0.889 267 V CB 1.023 32.876 31.823 0.049 0.000 0.985 267 V HN 0.327 nan 8.190 nan 0.000 0.459 268 T N 3.620 118.209 114.554 0.057 0.000 2.649 268 T HA -0.147 4.204 4.350 0.001 0.000 0.268 268 T C 0.754 175.491 174.700 0.061 0.000 1.036 268 T CA 2.194 64.328 62.100 0.056 0.000 1.157 268 T CB -0.036 68.873 68.868 0.068 0.000 0.861 268 T HN 0.840 nan 8.240 nan 0.000 0.445 269 S N -1.152 114.598 115.700 0.083 0.000 2.656 269 S HA 0.767 5.238 4.470 0.001 0.000 0.273 269 S C -1.481 173.168 174.600 0.081 0.000 1.168 269 S CA -0.823 57.424 58.200 0.079 0.000 0.817 269 S CB 2.376 65.641 63.200 0.109 0.000 1.146 269 S HN 0.492 nan 8.310 nan 0.000 0.475 270 A N 0.785 123.642 122.820 0.062 0.000 2.530 270 A HA 0.645 4.965 4.320 0.001 0.000 0.279 270 A C -1.432 176.192 177.584 0.066 0.000 1.109 270 A CA -0.457 51.620 52.037 0.067 0.000 0.763 270 A CB 0.273 19.295 19.000 0.038 0.000 1.257 270 A HN 0.895 nan 8.150 nan 0.000 0.424 271 H N 2.485 121.579 119.070 0.040 0.000 2.641 271 H HA 0.520 5.076 4.556 0.001 0.000 0.295 271 H C -0.078 175.264 175.328 0.024 0.000 1.070 271 H CA -0.283 55.786 56.048 0.035 0.000 1.257 271 H CB 0.688 30.474 29.762 0.040 0.000 1.393 271 H HN 0.757 nan 8.280 nan 0.000 0.464 272 I N 5.817 126.479 120.570 0.154 0.000 2.395 272 I HA 0.300 4.470 4.170 0.001 0.000 0.289 272 I C -1.144 175.064 176.117 0.151 0.000 1.023 272 I CA -0.203 61.162 61.300 0.108 0.000 1.350 272 I CB 0.183 38.208 38.000 0.041 0.000 1.409 272 I HN 0.545 nan 8.210 nan 0.000 0.507 273 I N 5.672 126.300 120.570 0.097 0.000 2.969 273 I HA 0.224 4.394 4.170 0.001 0.000 0.307 273 I C -0.981 175.153 176.117 0.029 0.000 1.149 273 I CA -0.604 60.740 61.300 0.075 0.000 1.008 273 I CB 2.112 40.136 38.000 0.040 0.000 1.232 273 I HN 0.568 nan 8.210 nan 0.000 0.435 274 D N 2.651 123.065 120.400 0.022 0.000 2.359 274 D HA 0.194 4.834 4.640 0.001 0.000 0.250 274 D C 1.041 177.345 176.300 0.005 0.000 1.264 274 D CA 0.201 54.205 54.000 0.005 0.000 0.911 274 D CB 1.189 41.993 40.800 0.007 0.000 1.056 274 D HN 0.727 nan 8.370 nan 0.000 0.499 275 G N 3.765 112.561 108.800 -0.006 0.000 2.430 275 G HA2 -0.196 3.765 3.960 0.001 0.000 0.216 275 G HA3 -0.196 3.765 3.960 0.001 0.000 0.216 275 G C 1.511 176.419 174.900 0.013 0.000 1.146 275 G CA -0.025 45.079 45.100 0.006 0.000 0.793 275 G HN 0.468 nan 8.290 nan 0.000 0.537 276 R N -0.142 120.351 120.500 -0.012 0.000 2.211 276 R HA -0.037 4.303 4.340 0.001 0.000 0.240 276 R C 0.517 176.826 176.300 0.014 0.000 1.144 276 R CA 0.098 56.196 56.100 -0.004 0.000 0.992 276 R CB -0.450 29.841 30.300 -0.015 0.000 0.869 276 R HN 0.230 nan 8.270 nan 0.000 0.462 277 V N 3.875 123.798 119.914 0.015 0.000 2.529 277 V HA 0.045 4.165 4.120 0.001 0.000 0.292 277 V C -1.907 174.202 176.094 0.025 0.000 1.028 277 V CA -1.437 60.871 62.300 0.014 0.000 1.074 277 V CB 0.615 32.442 31.823 0.006 0.000 0.958 277 V HN 0.064 nan 8.190 nan 0.000 0.481 278 P HA 0.062 nan 4.420 nan 0.000 0.265 278 P C 0.184 177.487 177.300 0.004 0.000 1.193 278 P CA 0.105 63.218 63.100 0.021 0.000 0.765 278 P CB -0.060 31.646 31.700 0.009 0.000 0.823 279 N N 0.372 119.075 118.700 0.004 0.000 2.716 279 N HA -0.256 4.484 4.740 0.001 0.000 0.250 279 N C 0.971 176.452 175.510 -0.048 0.000 1.033 279 N CA 0.538 53.564 53.050 -0.040 0.000 0.727 279 N CB -1.172 37.270 38.487 -0.074 0.000 0.950 279 N HN 0.522 nan 8.380 nan 0.000 0.541 280 A N -0.535 122.281 122.820 -0.007 0.000 1.898 280 A HA -0.048 4.272 4.320 0.001 0.000 0.216 280 A C 2.181 179.732 177.584 -0.055 0.000 1.181 280 A CA 1.624 53.649 52.037 -0.020 0.000 0.620 280 A CB -0.255 18.755 19.000 0.017 0.000 0.819 280 A HN 0.234 nan 8.150 nan 0.000 0.442 281 V N -0.096 119.797 119.914 -0.035 0.000 2.255 281 V HA -0.261 3.859 4.120 0.001 0.000 0.247 281 V C 2.546 178.531 176.094 -0.181 0.000 1.051 281 V CA 2.229 64.475 62.300 -0.089 0.000 1.018 281 V CB -0.712 31.046 31.823 -0.109 0.000 0.641 281 V HN 0.650 nan 8.190 nan 0.000 0.445 282 L N -0.431 120.650 121.223 -0.236 0.000 2.083 282 L HA -0.128 4.213 4.340 0.001 0.000 0.209 282 L C 2.094 178.776 176.870 -0.313 0.000 1.083 282 L CA 1.873 56.475 54.840 -0.398 0.000 0.752 282 L CB -0.531 41.251 42.059 -0.462 0.000 0.899 282 L HN 0.242 nan 8.230 nan 0.000 0.433 283 L N -0.521 120.592 121.223 -0.184 0.000 2.217 283 L HA -0.108 4.233 4.340 0.001 0.000 0.211 283 L C 2.455 179.275 176.870 -0.084 0.000 1.107 283 L CA 1.026 55.801 54.840 -0.109 0.000 0.783 283 L CB -0.568 41.443 42.059 -0.081 0.000 0.919 283 L HN 0.335 nan 8.230 nan 0.000 0.442 284 E N 0.925 121.051 120.200 -0.125 0.000 2.268 284 E HA -0.155 4.195 4.350 0.001 0.000 0.195 284 E C 1.842 178.386 176.600 -0.093 0.000 0.995 284 E CA 1.367 57.669 56.400 -0.162 0.000 0.836 284 E CB 0.017 29.574 29.700 -0.239 0.000 0.763 284 E HN 0.526 nan 8.360 nan 0.000 0.491 285 I N -1.139 119.404 120.570 -0.045 0.000 3.616 285 I HA 0.034 4.204 4.170 0.001 0.000 0.296 285 I C 0.567 176.934 176.117 0.416 0.000 1.226 285 I CA -0.048 61.294 61.300 0.071 0.000 1.394 285 I CB 0.130 38.109 38.000 -0.036 0.000 1.171 285 I HN -0.044 nan 8.210 nan 0.000 0.442 286 F N 1.848 121.793 119.950 -0.009 0.000 2.693 286 F HA 0.218 4.745 4.527 0.000 0.000 0.303 286 F C 0.405 176.075 175.800 -0.216 0.000 1.143 286 F CA 0.115 58.106 58.000 -0.014 0.000 1.389 286 F CB -0.850 38.118 39.000 -0.053 0.000 1.060 286 F HN -0.068 nan 8.300 nan 0.000 0.535 287 T N -2.164 112.407 114.554 0.028 0.000 2.830 287 T HA 0.098 4.448 4.350 0.001 0.000 0.322 287 T C -1.182 173.607 174.700 0.149 0.000 1.501 287 T CA -1.059 60.901 62.100 -0.234 0.000 1.036 287 T CB 2.141 70.895 68.868 -0.189 0.000 1.379 287 T HN -0.073 nan 8.240 nan 0.000 0.493 288 D N 1.863 122.392 120.400 0.216 0.000 2.767 288 D HA 0.342 4.982 4.640 0.001 0.000 0.241 288 D C 0.045 176.437 176.300 0.153 0.000 1.187 288 D CA -0.442 53.726 54.000 0.281 0.000 0.999 288 D CB -0.093 40.913 40.800 0.342 0.000 1.042 288 D HN 0.503 nan 8.370 nan 0.000 0.510 289 S N 0.852 116.618 115.700 0.110 0.000 2.430 289 S HA 0.493 4.963 4.470 0.001 0.000 0.289 289 S C 0.773 175.450 174.600 0.128 0.000 1.143 289 S CA -0.896 57.347 58.200 0.072 0.000 1.067 289 S CB 1.606 64.817 63.200 0.017 0.000 0.964 289 S HN 0.329 nan 8.310 nan 0.000 0.485 290 G N 2.331 111.203 108.800 0.120 0.000 3.506 290 G HA2 0.465 4.425 3.960 0.001 0.000 0.268 290 G HA3 0.465 4.425 3.960 0.001 0.000 0.268 290 G C -0.386 174.587 174.900 0.122 0.000 0.959 290 G CA -0.602 44.582 45.100 0.140 0.000 1.823 290 G HN 0.783 nan 8.290 nan 0.000 0.615 291 V N 1.306 121.312 119.914 0.154 0.000 2.235 291 V HA 0.811 4.931 4.120 0.001 0.000 0.266 291 V C 0.718 176.903 176.094 0.152 0.000 1.055 291 V CA 0.150 62.514 62.300 0.107 0.000 0.844 291 V CB -0.240 31.615 31.823 0.052 0.000 1.097 291 V HN 0.941 nan 8.190 nan 0.000 0.453 292 G N 2.188 111.074 108.800 0.142 0.000 2.346 292 G HA2 0.137 4.097 3.960 0.001 0.000 0.294 292 G HA3 0.137 4.097 3.960 0.001 0.000 0.294 292 G C -0.643 174.295 174.900 0.062 0.000 1.294 292 G CA -0.614 44.566 45.100 0.133 0.000 0.962 292 G HN 0.221 nan 8.290 nan 0.000 0.508 293 T N 0.997 115.567 114.554 0.027 0.000 2.738 293 T HA 0.505 4.855 4.350 0.001 0.000 0.298 293 T C -0.058 174.542 174.700 -0.168 0.000 0.962 293 T CA 0.058 62.125 62.100 -0.054 0.000 0.972 293 T CB 0.690 69.540 68.868 -0.031 0.000 0.928 293 T HN 0.990 nan 8.240 nan 0.000 0.474 294 L N 6.239 127.289 121.223 -0.287 0.000 2.280 294 L HA 0.677 5.018 4.340 0.001 0.000 0.287 294 L C -1.048 175.716 176.870 -0.176 0.000 1.023 294 L CA -0.350 54.236 54.840 -0.422 0.000 0.819 294 L CB 0.487 42.168 42.059 -0.630 0.000 1.212 294 L HN 0.555 nan 8.230 nan 0.000 0.420 295 I N 4.766 125.270 120.570 -0.110 0.000 2.362 295 I HA 0.475 4.646 4.170 0.001 0.000 0.289 295 I C 0.114 176.213 176.117 -0.029 0.000 0.994 295 I CA -0.098 61.171 61.300 -0.052 0.000 1.158 295 I CB 1.739 39.721 38.000 -0.031 0.000 1.315 295 I HN 0.765 nan 8.210 nan 0.000 0.451 296 S N 4.475 120.164 115.700 -0.019 0.000 2.971 296 S HA 0.497 4.968 4.470 0.001 0.000 0.320 296 S C -0.728 173.874 174.600 0.003 0.000 1.111 296 S CA -0.559 57.642 58.200 0.001 0.000 0.870 296 S CB 1.661 64.864 63.200 0.005 0.000 1.331 296 S HN 0.630 nan 8.310 nan 0.000 0.635 297 N N 0.343 119.047 118.700 0.007 0.000 2.726 297 N HA 0.366 5.107 4.740 0.001 0.000 0.253 297 N C 0.632 176.144 175.510 0.004 0.000 1.530 297 N CA 0.891 53.944 53.050 0.005 0.000 0.772 297 N CB 0.790 39.281 38.487 0.007 0.000 1.220 297 N HN 0.830 nan 8.380 nan 0.000 0.508 298 R N -0.560 119.941 120.500 0.002 0.000 1.207 298 R HA -0.298 4.043 4.340 0.001 0.000 0.017 298 R C 0.731 177.031 176.300 0.001 0.000 0.961 298 R CA 3.225 59.325 56.100 0.000 0.000 1.977 298 R CB -2.302 27.998 30.300 -0.000 0.000 0.138 298 R HN 1.108 nan 8.270 nan 0.000 0.729 299 K N 0.000 120.400 120.400 -0.000 0.000 2.780 299 K HA 0.000 4.320 4.320 0.001 0.000 0.191 299 K CA 0.000 nan 56.287 nan 0.000 0.838 299 K CB 0.000 nan 32.500 nan 0.000 1.064 299 K HN 0.000 nan 8.250 nan 0.000 0.543