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 2q74_1_B DATA FIRST_RESID 5 DATA SEQUENCE DNEPARLRSV AENLAAEAAA FVRGRRAEVF XXXXXXXXXX XXXXXXXXXD DATA SEQUENCE PVTVVDTDTE RLLRDRLAQL RPGDPILGEE GXXXXXXXXX XXXRVTWVLD DATA SEQUENCE PIDGTVNFVY GIPAYAVSIG AQVGGITVAG AVADVAARTV YSAATGLGAH DATA SEQUENCE LTDERGRHVL RCTGVDELSM ALLGTGFGYS VRCREKQAEL LAHVVPLVRD DATA SEQUENCE VRRIGSAALD LCMVAAGRLD AYYEHGVQVW DCAAGALIAA EAGARVLLSX DATA SEQUENCE XXXXXAGLVV VAAAPGIADE LLAALQRFNG LE 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 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.330 176.300 0.049 0.000 2.045 5 D CA 0.000 54.024 54.000 0.040 0.000 0.868 5 D CB 0.000 40.818 40.800 0.030 0.000 0.688 6 N N 0.511 119.240 118.700 0.048 0.000 2.804 6 N HA -0.055 4.684 4.740 -0.001 0.000 0.190 6 N C -1.273 174.252 175.510 0.025 0.000 1.303 6 N CA 0.277 53.353 53.050 0.045 0.000 2.109 6 N CB 0.264 38.771 38.487 0.033 0.000 1.106 6 N HN 0.209 nan 8.380 nan 0.000 0.740 7 E N 0.914 121.131 120.200 0.029 0.000 2.318 7 E HA 0.298 4.647 4.350 -0.001 0.000 0.265 7 E C -1.636 174.979 176.600 0.025 0.000 1.069 7 E CA -1.666 54.746 56.400 0.020 0.000 0.893 7 E CB 0.913 30.626 29.700 0.022 0.000 1.076 7 E HN -0.021 nan 8.360 nan 0.000 0.414 8 P HA -0.294 nan 4.420 nan 0.000 0.215 8 P C 1.124 178.449 177.300 0.042 0.000 1.157 8 P CA 1.838 64.948 63.100 0.018 0.000 0.874 8 P CB -0.018 31.689 31.700 0.012 0.000 0.790 9 A N 0.262 123.108 122.820 0.044 0.000 1.883 9 A HA -0.252 4.067 4.320 -0.001 0.000 0.217 9 A C 2.634 180.257 177.584 0.064 0.000 1.186 9 A CA 3.102 55.171 52.037 0.054 0.000 0.624 9 A CB -1.642 17.384 19.000 0.044 0.000 0.822 9 A HN 0.231 nan 8.150 nan 0.000 0.444 10 R N -0.903 119.635 120.500 0.064 0.000 2.092 10 R HA 0.060 4.399 4.340 -0.001 0.000 0.231 10 R C 1.968 178.342 176.300 0.124 0.000 1.119 10 R CA 1.680 57.827 56.100 0.078 0.000 0.970 10 R CB -1.373 28.970 30.300 0.070 0.000 0.864 10 R HN 0.416 nan 8.270 nan 0.000 0.440 11 L N 1.209 122.511 121.223 0.132 0.000 2.141 11 L HA -0.065 4.274 4.340 -0.001 0.000 0.209 11 L C 2.694 179.710 176.870 0.243 0.000 1.094 11 L CA 2.399 57.366 54.840 0.211 0.000 0.763 11 L CB -0.921 41.176 42.059 0.063 0.000 0.908 11 L HN 0.652 nan 8.230 nan 0.000 0.437 12 R N -1.296 119.293 120.500 0.148 0.000 2.119 12 R HA -0.029 4.310 4.340 -0.001 0.000 0.222 12 R C 2.146 178.524 176.300 0.130 0.000 1.088 12 R CA 1.307 57.491 56.100 0.140 0.000 0.984 12 R CB -0.293 30.069 30.300 0.104 0.000 0.884 12 R HN 0.082 nan 8.270 nan 0.000 0.447 13 S N 1.005 116.769 115.700 0.106 0.000 2.356 13 S HA -0.126 4.343 4.470 -0.001 0.000 0.223 13 S C 2.035 176.673 174.600 0.064 0.000 1.032 13 S CA 1.528 59.771 58.200 0.072 0.000 1.005 13 S CB -0.217 63.015 63.200 0.053 0.000 0.867 13 S HN 0.446 nan 8.310 nan 0.000 0.449 14 V N 0.462 120.426 119.914 0.084 0.000 2.515 14 V HA -0.007 4.112 4.120 -0.001 0.000 0.250 14 V C 2.229 178.330 176.094 0.011 0.000 1.058 14 V CA 1.478 63.786 62.300 0.014 0.000 1.064 14 V CB -1.387 30.422 31.823 -0.023 0.000 0.675 14 V HN 0.398 nan 8.190 nan 0.000 0.461 15 A N 0.496 123.409 122.820 0.155 0.000 1.898 15 A HA -0.155 4.164 4.320 -0.001 0.000 0.216 15 A C 2.142 179.788 177.584 0.104 0.000 1.181 15 A CA 1.781 53.933 52.037 0.192 0.000 0.620 15 A CB -0.594 18.582 19.000 0.295 0.000 0.819 15 A HN 0.657 nan 8.150 nan 0.000 0.442 16 E N -0.019 120.234 120.200 0.088 0.000 2.051 16 E HA -0.174 4.175 4.350 -0.001 0.000 0.192 16 E C 1.849 178.469 176.600 0.033 0.000 0.991 16 E CA 1.217 57.654 56.400 0.062 0.000 0.799 16 E CB -0.179 29.553 29.700 0.052 0.000 0.748 16 E HN 0.529 nan 8.360 nan 0.000 0.449 17 N N 0.752 119.462 118.700 0.016 0.000 2.106 17 N HA -0.115 4.624 4.740 -0.001 0.000 0.188 17 N C 1.946 177.446 175.510 -0.017 0.000 1.029 17 N CA 0.871 53.918 53.050 -0.005 0.000 0.848 17 N CB -0.290 38.185 38.487 -0.019 0.000 1.007 17 N HN 0.130 nan 8.380 nan 0.000 0.423 18 L N 0.631 121.831 121.223 -0.038 0.000 2.083 18 L HA -0.101 4.238 4.340 -0.001 0.000 0.209 18 L C 2.370 179.233 176.870 -0.011 0.000 1.083 18 L CA 1.081 55.886 54.840 -0.058 0.000 0.752 18 L CB -0.579 41.408 42.059 -0.120 0.000 0.899 18 L HN 0.129 nan 8.230 nan 0.000 0.433 19 A N 0.171 123.005 122.820 0.024 0.000 1.877 19 A HA -0.194 4.126 4.320 -0.001 0.000 0.216 19 A C 2.538 180.156 177.584 0.056 0.000 1.186 19 A CA 1.861 53.930 52.037 0.055 0.000 0.620 19 A CB -0.671 18.376 19.000 0.078 0.000 0.822 19 A HN 0.412 nan 8.150 nan 0.000 0.443 20 A N -0.467 122.378 122.820 0.042 0.000 1.877 20 A HA -0.167 4.152 4.320 -0.001 0.000 0.216 20 A C 1.950 179.563 177.584 0.049 0.000 1.186 20 A CA 1.664 53.726 52.037 0.041 0.000 0.620 20 A CB -0.576 18.438 19.000 0.023 0.000 0.822 20 A HN 0.630 nan 8.150 nan 0.000 0.443 21 E N -0.382 119.837 120.200 0.032 0.000 2.038 21 E HA -0.186 4.163 4.350 -0.001 0.000 0.195 21 E C 2.354 179.000 176.600 0.076 0.000 1.000 21 E CA 1.163 57.585 56.400 0.036 0.000 0.803 21 E CB -0.301 29.393 29.700 -0.010 0.000 0.750 21 E HN 0.603 nan 8.360 nan 0.000 0.448 22 A N 1.225 124.080 122.820 0.058 0.000 1.933 22 A HA -0.120 4.199 4.320 -0.001 0.000 0.218 22 A C 2.343 180.038 177.584 0.185 0.000 1.175 22 A CA 1.686 53.784 52.037 0.101 0.000 0.628 22 A CB -0.580 18.450 19.000 0.050 0.000 0.814 22 A HN 0.314 nan 8.150 nan 0.000 0.444 23 A N 0.012 122.919 122.820 0.145 0.000 1.877 23 A HA 0.130 4.449 4.320 -0.001 0.000 0.216 23 A C 2.521 180.206 177.584 0.169 0.000 1.186 23 A CA 2.151 54.283 52.037 0.159 0.000 0.620 23 A CB -1.087 17.983 19.000 0.118 0.000 0.822 23 A HN 1.101 nan 8.150 nan 0.000 0.443 24 A N -1.382 121.525 122.820 0.146 0.000 1.940 24 A HA -0.089 4.230 4.320 -0.001 0.000 0.219 24 A C 2.061 179.748 177.584 0.172 0.000 1.176 24 A CA 1.714 53.832 52.037 0.135 0.000 0.631 24 A CB -0.684 18.382 19.000 0.111 0.000 0.814 24 A HN 0.700 nan 8.150 nan 0.000 0.446 25 F N 0.390 120.374 119.950 0.057 0.000 2.163 25 F HA -0.091 4.435 4.527 -0.002 0.000 0.297 25 F C 2.227 178.078 175.800 0.085 0.000 1.094 25 F CA 1.726 59.758 58.000 0.054 0.000 1.290 25 F CB -0.223 38.796 39.000 0.031 0.000 1.017 25 F HN 0.022 nan 8.300 nan 0.000 0.483 26 V N 0.921 120.955 119.914 0.200 0.000 2.295 26 V HA -0.313 3.807 4.120 -0.001 0.000 0.246 26 V C 2.537 178.736 176.094 0.175 0.000 1.049 26 V CA 2.307 64.708 62.300 0.168 0.000 1.024 26 V CB -0.819 31.165 31.823 0.269 0.000 0.648 26 V HN 0.300 nan 8.190 nan 0.000 0.447 27 R N 0.407 121.016 120.500 0.182 0.000 2.103 27 R HA -0.161 4.178 4.340 -0.001 0.000 0.242 27 R C 2.261 178.601 176.300 0.067 0.000 1.142 27 R CA 2.050 58.243 56.100 0.155 0.000 0.960 27 R CB -0.821 29.555 30.300 0.128 0.000 0.858 27 R HN 0.532 nan 8.270 nan 0.000 0.439 28 G N -0.136 108.662 108.800 -0.003 0.000 2.394 28 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.215 28 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.215 28 G C 1.342 176.173 174.900 -0.115 0.000 1.165 28 G CA 0.086 45.149 45.100 -0.061 0.000 0.784 28 G HN 0.141 nan 8.290 nan 0.000 0.535 29 R N 0.283 120.641 120.500 -0.237 0.000 2.092 29 R HA 0.031 4.370 4.340 -0.001 0.000 0.231 29 R C 2.485 178.774 176.300 -0.018 0.000 1.119 29 R CA 0.984 56.939 56.100 -0.242 0.000 0.970 29 R CB -0.613 29.412 30.300 -0.458 0.000 0.864 29 R HN 0.387 nan 8.270 nan 0.000 0.440 30 R N 0.467 121.037 120.500 0.117 0.000 2.091 30 R HA -0.110 4.229 4.340 -0.001 0.000 0.238 30 R C 2.063 178.469 176.300 0.176 0.000 1.136 30 R CA 1.675 57.915 56.100 0.233 0.000 0.959 30 R CB -0.234 30.132 30.300 0.110 0.000 0.856 30 R HN 0.184 nan 8.270 nan 0.000 0.437 31 A N 0.943 123.809 122.820 0.076 0.000 1.902 31 A HA -0.202 4.117 4.320 -0.001 0.000 0.217 31 A C 1.906 179.515 177.584 0.042 0.000 1.181 31 A CA 1.723 53.793 52.037 0.055 0.000 0.623 31 A CB -0.436 18.577 19.000 0.021 0.000 0.818 31 A HN 0.548 nan 8.150 nan 0.000 0.443 32 E N -0.413 119.788 120.200 0.001 0.000 2.007 32 E HA -0.128 4.221 4.350 -0.001 0.000 0.194 32 E C 1.978 178.549 176.600 -0.048 0.000 0.999 32 E CA 1.351 57.734 56.400 -0.028 0.000 0.811 32 E CB -0.407 29.259 29.700 -0.056 0.000 0.762 32 E HN 0.327 nan 8.360 nan 0.000 0.450 33 V N 0.915 120.775 119.914 -0.089 0.000 2.453 33 V HA -0.211 3.909 4.120 -0.001 0.000 0.252 33 V C 0.950 176.828 176.094 -0.359 0.000 1.068 33 V CA 1.406 63.567 62.300 -0.231 0.000 1.070 33 V CB -0.456 31.188 31.823 -0.299 0.000 0.664 33 V HN 0.046 nan 8.190 nan 0.000 0.461 55 P HA -0.053 nan 4.420 nan 0.000 0.217 55 P C 1.725 179.024 177.300 -0.003 0.000 1.150 55 P CA 0.947 63.977 63.100 -0.117 0.000 0.832 55 P CB 0.307 31.841 31.700 -0.276 0.000 0.787 56 V N 0.059 120.033 119.914 0.100 0.000 2.591 56 V HA -0.115 4.004 4.120 -0.001 0.000 0.249 56 V C 2.212 178.259 176.094 -0.079 0.000 1.053 56 V CA 2.386 64.717 62.300 0.052 0.000 1.068 56 V CB -1.500 30.391 31.823 0.114 0.000 0.689 56 V HN 0.094 nan 8.190 nan 0.000 0.462 57 T N 0.111 114.642 114.554 -0.038 0.000 2.788 57 T HA -0.154 4.195 4.350 -0.001 0.000 0.268 57 T C 1.844 176.511 174.700 -0.056 0.000 1.044 57 T CA 1.780 63.851 62.100 -0.049 0.000 1.139 57 T CB -0.174 68.677 68.868 -0.029 0.000 0.867 57 T HN 0.396 nan 8.240 nan 0.000 0.454 58 V N 1.116 121.000 119.914 -0.050 0.000 2.237 58 V HA -0.135 3.984 4.120 -0.001 0.000 0.245 58 V C 2.655 178.730 176.094 -0.032 0.000 1.046 58 V CA 1.413 63.688 62.300 -0.041 0.000 1.007 58 V CB -0.730 31.062 31.823 -0.051 0.000 0.638 58 V HN 0.306 nan 8.190 nan 0.000 0.445 59 V N 0.405 120.287 119.914 -0.052 0.000 2.427 59 V HA -0.266 3.853 4.120 -0.001 0.000 0.248 59 V C 2.264 178.321 176.094 -0.062 0.000 1.051 59 V CA 2.275 64.547 62.300 -0.046 0.000 1.048 59 V CB -0.728 31.049 31.823 -0.077 0.000 0.666 59 V HN 0.621 nan 8.190 nan 0.000 0.456 60 D N 0.128 120.442 120.400 -0.142 0.000 2.097 60 D HA -0.161 4.478 4.640 -0.001 0.000 0.195 60 D C 2.201 178.460 176.300 -0.068 0.000 0.989 60 D CA 1.944 55.866 54.000 -0.130 0.000 0.827 60 D CB -0.066 40.642 40.800 -0.153 0.000 0.966 60 D HN 0.420 nan 8.370 nan 0.000 0.456 61 T N 0.041 114.565 114.554 -0.051 0.000 2.737 61 T HA -0.118 4.231 4.350 -0.001 0.000 0.265 61 T C 1.278 175.973 174.700 -0.008 0.000 1.038 61 T CA 1.274 63.350 62.100 -0.039 0.000 1.144 61 T CB -0.370 68.477 68.868 -0.034 0.000 0.866 61 T HN 0.149 nan 8.240 nan 0.000 0.434 62 D N 1.269 121.701 120.400 0.053 0.000 2.104 62 D HA -0.083 4.557 4.640 -0.001 0.000 0.194 62 D C 2.321 178.673 176.300 0.085 0.000 0.994 62 D CA 1.395 55.477 54.000 0.138 0.000 0.830 62 D CB -0.647 40.340 40.800 0.311 0.000 0.959 62 D HN 0.340 nan 8.370 nan 0.000 0.452 63 T N 0.446 115.091 114.554 0.152 0.000 2.821 63 T HA -0.138 4.211 4.350 -0.001 0.000 0.267 63 T C 1.800 176.448 174.700 -0.086 0.000 1.046 63 T CA 1.271 63.393 62.100 0.036 0.000 1.139 63 T CB -0.078 68.880 68.868 0.152 0.000 0.871 63 T HN 0.137 nan 8.240 nan 0.000 0.454 64 E N 1.532 121.691 120.200 -0.068 0.000 2.085 64 E HA -0.130 4.220 4.350 -0.001 0.000 0.194 64 E C 2.295 178.830 176.600 -0.109 0.000 0.994 64 E CA 1.213 57.557 56.400 -0.093 0.000 0.801 64 E CB -0.124 29.518 29.700 -0.097 0.000 0.743 64 E HN 0.339 nan 8.360 nan 0.000 0.453 65 R N -0.083 120.352 120.500 -0.108 0.000 2.073 65 R HA -0.108 4.231 4.340 -0.001 0.000 0.234 65 R C 2.597 178.794 176.300 -0.171 0.000 1.134 65 R CA 1.388 57.417 56.100 -0.118 0.000 0.952 65 R CB -0.483 29.762 30.300 -0.092 0.000 0.850 65 R HN 0.372 nan 8.270 nan 0.000 0.433 66 L N 0.893 121.954 121.223 -0.269 0.000 2.013 66 L HA -0.235 4.104 4.340 -0.001 0.000 0.212 66 L C 2.137 178.865 176.870 -0.237 0.000 1.073 66 L CA 1.549 56.182 54.840 -0.345 0.000 0.753 66 L CB -0.239 41.446 42.059 -0.623 0.000 0.890 66 L HN 0.294 nan 8.230 nan 0.000 0.432 67 L N -0.676 120.429 121.223 -0.197 0.000 2.046 67 L HA -0.212 4.128 4.340 -0.001 0.000 0.208 67 L C 2.856 179.630 176.870 -0.159 0.000 1.077 67 L CA 1.302 56.044 54.840 -0.162 0.000 0.747 67 L CB -0.475 41.513 42.059 -0.118 0.000 0.896 67 L HN 0.241 nan 8.230 nan 0.000 0.432 68 R N -0.125 120.296 120.500 -0.131 0.000 2.073 68 R HA -0.158 4.181 4.340 -0.001 0.000 0.234 68 R C 1.960 178.190 176.300 -0.116 0.000 1.134 68 R CA 1.630 57.664 56.100 -0.110 0.000 0.952 68 R CB -0.403 29.847 30.300 -0.084 0.000 0.850 68 R HN 0.369 nan 8.270 nan 0.000 0.433 69 D N 0.118 120.446 120.400 -0.121 0.000 2.097 69 D HA -0.136 4.503 4.640 -0.001 0.000 0.195 69 D C 2.023 178.249 176.300 -0.123 0.000 0.989 69 D CA 1.043 54.976 54.000 -0.111 0.000 0.827 69 D CB -0.164 40.569 40.800 -0.113 0.000 0.966 69 D HN 0.055 nan 8.370 nan 0.000 0.456 70 R N 0.314 120.725 120.500 -0.148 0.000 2.096 70 R HA -0.017 4.322 4.340 -0.001 0.000 0.235 70 R C 2.548 178.737 176.300 -0.185 0.000 1.127 70 R CA 0.295 56.301 56.100 -0.156 0.000 0.968 70 R CB -0.813 29.387 30.300 -0.167 0.000 0.861 70 R HN 0.313 nan 8.270 nan 0.000 0.440 71 L N 0.130 121.219 121.223 -0.224 0.000 2.156 71 L HA -0.066 4.273 4.340 -0.001 0.000 0.208 71 L C 2.548 179.312 176.870 -0.177 0.000 1.095 71 L CA 0.993 55.659 54.840 -0.290 0.000 0.770 71 L CB -0.502 41.340 42.059 -0.362 0.000 0.914 71 L HN 0.126 nan 8.230 nan 0.000 0.439 72 A N 0.185 122.932 122.820 -0.122 0.000 1.940 72 A HA -0.250 4.069 4.320 -0.001 0.000 0.219 72 A C 2.174 179.718 177.584 -0.067 0.000 1.176 72 A CA 1.840 53.831 52.037 -0.075 0.000 0.631 72 A CB -0.344 18.619 19.000 -0.063 0.000 0.814 72 A HN 0.632 nan 8.150 nan 0.000 0.446 73 Q N -0.911 118.840 119.800 -0.082 0.000 2.297 73 Q HA 0.245 4.584 4.340 -0.001 0.000 0.203 73 Q C 1.817 177.777 176.000 -0.067 0.000 0.931 73 Q CA 0.694 56.458 55.803 -0.066 0.000 0.885 73 Q CB -0.163 28.537 28.738 -0.065 0.000 0.991 73 Q HN 0.584 nan 8.270 nan 0.000 0.498 74 L N -0.172 120.992 121.223 -0.098 0.000 2.253 74 L HA 0.132 4.471 4.340 -0.001 0.000 0.205 74 L C 0.721 177.548 176.870 -0.072 0.000 1.078 74 L CA 0.277 55.061 54.840 -0.094 0.000 0.805 74 L CB 0.412 42.387 42.059 -0.140 0.000 0.963 74 L HN 0.010 nan 8.230 nan 0.000 0.459 75 R N -0.511 119.933 120.500 -0.093 0.000 2.681 75 R HA 0.261 4.600 4.340 -0.001 0.000 0.277 75 R C -1.997 174.309 176.300 0.010 0.000 1.563 75 R CA -2.148 53.944 56.100 -0.013 0.000 1.673 75 R CB 0.150 30.448 30.300 -0.004 0.000 1.258 75 R HN -0.077 nan 8.270 nan 0.000 0.650 76 P HA -0.198 nan 4.420 nan 0.000 0.216 76 P C 1.150 178.466 177.300 0.026 0.000 1.167 76 P CA 1.862 64.966 63.100 0.007 0.000 0.933 76 P CB 0.266 31.971 31.700 0.009 0.000 0.793 77 G N -2.070 106.757 108.800 0.046 0.000 3.141 77 G HA2 0.003 3.962 3.960 -0.001 0.000 0.218 77 G HA3 0.003 3.962 3.960 -0.001 0.000 0.218 77 G C -0.363 174.583 174.900 0.077 0.000 1.170 77 G CA -0.068 45.062 45.100 0.050 0.000 0.769 77 G HN 0.197 nan 8.290 nan 0.000 0.546 78 D N 1.531 122.003 120.400 0.121 0.000 2.312 78 D HA 0.364 5.003 4.640 -0.001 0.000 0.252 78 D C -2.112 174.298 176.300 0.184 0.000 1.150 78 D CA -1.142 52.975 54.000 0.196 0.000 0.870 78 D CB 1.473 42.517 40.800 0.407 0.000 1.153 78 D HN 0.039 nan 8.370 nan 0.000 0.457 79 P HA 0.128 nan 4.420 nan 0.000 0.269 79 P C -0.581 176.824 177.300 0.176 0.000 1.215 79 P CA -0.131 63.040 63.100 0.118 0.000 0.780 79 P CB 0.599 32.343 31.700 0.073 0.000 0.898 80 I N 2.939 123.586 120.570 0.129 0.000 2.439 80 I HA 0.204 4.373 4.170 -0.001 0.000 0.283 80 I C -0.486 175.685 176.117 0.090 0.000 1.023 80 I CA -0.903 60.480 61.300 0.138 0.000 1.100 80 I CB 1.080 39.131 38.000 0.085 0.000 1.238 80 I HN 0.217 nan 8.210 nan 0.000 0.445 81 L N 6.914 128.203 121.223 0.109 0.000 2.259 81 L HA 0.735 5.074 4.340 -0.001 0.000 0.288 81 L C 0.455 177.363 176.870 0.063 0.000 1.051 81 L CA 0.307 55.206 54.840 0.098 0.000 0.824 81 L CB 0.692 42.839 42.059 0.146 0.000 1.206 81 L HN 0.656 nan 8.230 nan 0.000 0.429 82 G N 2.679 111.451 108.800 -0.048 0.000 2.531 82 G HA2 0.170 4.129 3.960 -0.001 0.000 0.313 82 G HA3 0.170 4.129 3.960 -0.001 0.000 0.313 82 G C 0.291 174.857 174.900 -0.556 0.000 1.238 82 G CA -0.371 44.608 45.100 -0.202 0.000 0.994 82 G HN 0.694 nan 8.290 nan 0.000 0.493 83 E N -0.524 119.158 120.200 -0.863 0.000 2.463 83 E HA -0.109 4.240 4.350 -0.001 0.000 0.201 83 E C 0.439 176.582 176.600 -0.762 0.000 1.045 83 E CA 1.023 56.558 56.400 -1.442 0.000 0.872 83 E CB 0.074 29.189 29.700 -0.976 0.000 0.797 83 E HN 0.656 nan 8.360 nan 0.000 0.538 84 E N -1.090 118.853 120.200 -0.427 0.000 4.139 84 E HA 0.424 4.773 4.350 -0.001 0.000 0.227 84 E C -0.066 176.456 176.600 -0.130 0.000 1.187 84 E CA -0.256 56.014 56.400 -0.216 0.000 1.324 84 E CB 0.863 30.466 29.700 -0.162 0.000 1.207 84 E HN 0.156 nan 8.360 nan 0.000 0.422 99 V N 3.597 123.483 119.914 -0.046 0.000 2.546 99 V HA 0.439 4.558 4.120 -0.001 0.000 0.284 99 V C 0.133 176.105 176.094 -0.204 0.000 1.050 99 V CA 0.145 62.340 62.300 -0.177 0.000 0.981 99 V CB 1.592 33.254 31.823 -0.268 0.000 0.990 99 V HN 0.199 nan 8.190 nan 0.000 0.474 100 T N 4.386 118.773 114.554 -0.278 0.000 2.779 100 T HA 0.378 4.728 4.350 -0.001 0.000 0.280 100 T C -0.794 173.723 174.700 -0.306 0.000 0.987 100 T CA -0.165 61.837 62.100 -0.163 0.000 0.966 100 T CB 0.516 69.349 68.868 -0.058 0.000 0.933 100 T HN 0.578 nan 8.240 nan 0.000 0.442 101 W N 3.209 124.524 121.300 0.025 0.000 2.332 101 W HA 0.521 5.180 4.660 -0.002 0.000 0.306 101 W C -0.452 176.092 176.519 0.041 0.000 1.149 101 W CA -0.740 56.622 57.345 0.028 0.000 1.271 101 W CB 0.544 30.013 29.460 0.014 0.000 1.243 101 W HN 0.281 nan 8.180 nan 0.000 0.459 102 V N 6.433 126.471 119.914 0.207 0.000 2.394 102 V HA 0.557 4.676 4.120 -0.001 0.000 0.282 102 V C 0.243 176.471 176.094 0.223 0.000 1.031 102 V CA -0.990 61.431 62.300 0.201 0.000 0.881 102 V CB 0.617 32.541 31.823 0.168 0.000 0.982 102 V HN 0.431 nan 8.190 nan 0.000 0.451 103 L N 1.319 122.653 121.223 0.186 0.000 2.465 103 L HA 0.846 5.185 4.340 -0.001 0.000 0.257 103 L C -1.740 175.153 176.870 0.039 0.000 0.988 103 L CA -0.623 54.297 54.840 0.134 0.000 0.827 103 L CB 2.744 44.863 42.059 0.101 0.000 1.397 103 L HN 0.482 nan 8.230 nan 0.000 0.410 104 D N 1.824 122.265 120.400 0.068 0.000 2.542 104 D HA 0.460 5.100 4.640 -0.001 0.000 0.252 104 D C -2.248 174.065 176.300 0.021 0.000 1.222 104 D CA -1.737 52.266 54.000 0.005 0.000 0.895 104 D CB 2.949 43.847 40.800 0.164 0.000 1.207 104 D HN 0.262 nan 8.370 nan 0.000 0.558 105 P HA 0.084 nan 4.420 nan 0.000 0.217 105 P C 0.046 177.354 177.300 0.013 0.000 1.150 105 P CA 0.943 64.040 63.100 -0.005 0.000 0.832 105 P CB 0.385 32.060 31.700 -0.042 0.000 0.787 106 I N -0.821 119.737 120.570 -0.020 0.000 2.542 106 I HA 0.217 4.386 4.170 -0.001 0.000 0.278 106 I C -0.728 175.419 176.117 0.049 0.000 1.069 106 I CA -0.816 60.475 61.300 -0.014 0.000 1.100 106 I CB 1.514 39.373 38.000 -0.235 0.000 1.204 106 I HN -0.255 nan 8.210 nan 0.000 0.470 107 D N 5.456 125.930 120.400 0.122 0.000 2.313 107 D HA 0.516 5.155 4.640 -0.001 0.000 0.239 107 D C 0.668 177.070 176.300 0.171 0.000 1.142 107 D CA 0.423 54.509 54.000 0.144 0.000 0.847 107 D CB 1.134 42.018 40.800 0.139 0.000 1.082 107 D HN 0.803 nan 8.370 nan 0.000 0.480 108 G N 2.956 111.851 108.800 0.160 0.000 2.754 108 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.215 108 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.215 108 G C 0.876 175.898 174.900 0.202 0.000 1.121 108 G CA 0.182 45.396 45.100 0.191 0.000 0.954 108 G HN 0.582 nan 8.290 nan 0.000 0.511 109 T N -3.026 111.615 114.554 0.146 0.000 2.904 109 T HA 0.003 4.352 4.350 -0.001 0.000 0.267 109 T C 2.367 177.194 174.700 0.212 0.000 1.059 109 T CA 1.817 63.995 62.100 0.130 0.000 1.137 109 T CB 0.055 68.969 68.868 0.076 0.000 0.879 109 T HN 0.580 nan 8.240 nan 0.000 0.467 110 V N 2.684 122.719 119.914 0.203 0.000 2.343 110 V HA -0.170 3.949 4.120 -0.001 0.000 0.247 110 V C 2.780 179.049 176.094 0.292 0.000 1.051 110 V CA 1.767 64.218 62.300 0.251 0.000 1.036 110 V CB -0.809 31.118 31.823 0.172 0.000 0.654 110 V HN 0.463 nan 8.190 nan 0.000 0.451 111 N N -0.147 118.694 118.700 0.235 0.000 2.084 111 N HA -0.182 4.558 4.740 -0.001 0.000 0.190 111 N C 1.717 177.370 175.510 0.239 0.000 1.030 111 N CA 1.693 54.898 53.050 0.258 0.000 0.849 111 N CB -0.548 38.127 38.487 0.313 0.000 1.012 111 N HN 0.510 nan 8.380 nan 0.000 0.423 112 F N 1.727 121.634 119.950 -0.070 0.000 2.091 112 F HA -0.212 4.314 4.527 -0.002 0.000 0.299 112 F C 2.185 177.833 175.800 -0.252 0.000 1.103 112 F CA 1.188 58.897 58.000 -0.485 0.000 1.228 112 F CB -0.311 38.392 39.000 -0.494 0.000 0.984 112 F HN -0.195 nan 8.300 nan 0.000 0.477 113 V N -1.061 118.910 119.914 0.096 0.000 2.427 113 V HA -0.302 3.817 4.120 -0.001 0.000 0.248 113 V C 1.830 177.757 176.094 -0.279 0.000 1.051 113 V CA 1.876 64.160 62.300 -0.027 0.000 1.048 113 V CB -0.911 30.999 31.823 0.145 0.000 0.666 113 V HN 0.398 nan 8.190 nan 0.000 0.456 114 Y N 0.210 120.423 120.300 -0.146 0.000 2.517 114 Y HA 0.348 4.898 4.550 -0.001 0.000 0.281 114 Y C 1.979 177.771 175.900 -0.179 0.000 1.125 114 Y CA 0.748 58.770 58.100 -0.129 0.000 1.283 114 Y CB 0.138 38.576 38.460 -0.036 0.000 1.042 114 Y HN 0.338 nan 8.280 nan 0.000 0.547 115 G N 0.739 109.488 108.800 -0.086 0.000 2.132 115 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.228 115 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.228 115 G C -0.028 174.912 174.900 0.067 0.000 1.000 115 G CA -0.114 44.936 45.100 -0.082 0.000 0.693 115 G HN 0.254 nan 8.290 nan 0.000 0.515 116 I N 2.289 122.944 120.570 0.142 0.000 2.379 116 I HA 0.217 4.386 4.170 -0.001 0.000 0.290 116 I C -1.400 174.816 176.117 0.164 0.000 1.063 116 I CA -2.067 59.305 61.300 0.120 0.000 1.351 116 I CB 1.151 39.208 38.000 0.095 0.000 1.410 116 I HN -0.086 nan 8.210 nan 0.000 0.505 117 P HA 0.099 nan 4.420 nan 0.000 0.235 117 P C -0.371 176.817 177.300 -0.187 0.000 1.765 117 P CA 0.111 63.132 63.100 -0.132 0.000 1.034 117 P CB 0.088 31.732 31.700 -0.094 0.000 1.984 118 A N 2.570 125.293 122.820 -0.161 0.000 3.464 118 A HA 0.483 4.802 4.320 -0.001 0.000 0.243 118 A C -0.925 176.699 177.584 0.066 0.000 1.100 118 A CA -0.589 51.402 52.037 -0.076 0.000 0.957 118 A CB -0.117 18.884 19.000 0.001 0.000 1.340 118 A HN 0.348 nan 8.150 nan 0.000 0.645 119 Y N -2.223 118.136 120.300 0.099 0.000 2.576 119 Y HA 0.920 5.470 4.550 -0.001 0.000 0.346 119 Y C -0.059 175.907 175.900 0.111 0.000 1.018 119 Y CA -1.188 56.986 58.100 0.123 0.000 1.050 119 Y CB 1.447 40.031 38.460 0.207 0.000 1.280 119 Y HN 0.628 nan 8.280 nan 0.000 0.474 120 A N 0.956 123.928 122.820 0.253 0.000 2.539 120 A HA 0.761 5.080 4.320 -0.001 0.000 0.296 120 A C -1.839 175.844 177.584 0.164 0.000 1.073 120 A CA -0.926 51.208 52.037 0.161 0.000 0.700 120 A CB 1.522 20.579 19.000 0.096 0.000 1.296 120 A HN 0.656 nan 8.150 nan 0.000 0.405 121 V N 1.278 121.278 119.914 0.143 0.000 2.407 121 V HA 0.630 4.750 4.120 -0.001 0.000 0.278 121 V C 0.457 176.620 176.094 0.114 0.000 1.037 121 V CA -0.227 62.146 62.300 0.121 0.000 0.900 121 V CB 1.390 33.281 31.823 0.114 0.000 0.983 121 V HN 0.875 nan 8.190 nan 0.000 0.459 122 S N 5.896 121.665 115.700 0.114 0.000 2.519 122 S HA 0.738 5.207 4.470 -0.001 0.000 0.309 122 S C -0.920 173.763 174.600 0.138 0.000 1.100 122 S CA -0.633 57.640 58.200 0.123 0.000 1.059 122 S CB 0.565 63.843 63.200 0.130 0.000 1.008 122 S HN 0.506 nan 8.310 nan 0.000 0.478 123 I N 4.357 125.018 120.570 0.152 0.000 2.468 123 I HA 0.430 4.600 4.170 -0.001 0.000 0.284 123 I C 0.491 176.740 176.117 0.219 0.000 1.038 123 I CA -0.462 60.962 61.300 0.206 0.000 1.083 123 I CB 1.032 39.161 38.000 0.214 0.000 1.223 123 I HN 0.750 nan 8.210 nan 0.000 0.443 124 G N 4.205 113.127 108.800 0.203 0.000 2.452 124 G HA2 0.709 4.668 3.960 -0.001 0.000 0.324 124 G HA3 0.709 4.668 3.960 -0.001 0.000 0.324 124 G C -0.914 173.965 174.900 -0.034 0.000 1.214 124 G CA -0.564 44.592 45.100 0.094 0.000 0.947 124 G HN 0.701 nan 8.290 nan 0.000 0.478 125 A N 2.172 124.858 122.820 -0.224 0.000 2.277 125 A HA 0.675 4.994 4.320 -0.001 0.000 0.318 125 A C 0.058 177.424 177.584 -0.364 0.000 1.339 125 A CA -0.491 51.175 52.037 -0.618 0.000 0.875 125 A CB 0.673 19.206 19.000 -0.779 0.000 1.158 125 A HN 0.609 nan 8.150 nan 0.000 0.514 126 Q N 0.857 120.458 119.800 -0.332 0.000 2.266 126 Q HA 0.646 4.985 4.340 -0.001 0.000 0.261 126 Q C -1.220 174.670 176.000 -0.184 0.000 0.985 126 Q CA -0.757 54.932 55.803 -0.190 0.000 0.873 126 Q CB 2.697 31.367 28.738 -0.113 0.000 1.306 126 Q HN 0.486 nan 8.270 nan 0.000 0.447 127 V N 1.003 120.844 119.914 -0.122 0.000 2.488 127 V HA 0.411 4.531 4.120 -0.001 0.000 0.293 127 V C 0.518 176.577 176.094 -0.059 0.000 1.027 127 V CA -0.138 62.106 62.300 -0.092 0.000 0.862 127 V CB 1.261 33.034 31.823 -0.085 0.000 1.008 127 V HN 1.065 nan 8.190 nan 0.000 0.428 128 G N 3.362 112.134 108.800 -0.047 0.000 2.221 128 G HA2 0.070 4.029 3.960 -0.001 0.000 0.265 128 G HA3 0.070 4.029 3.960 -0.001 0.000 0.265 128 G C 1.190 176.071 174.900 -0.030 0.000 1.041 128 G CA 0.813 45.894 45.100 -0.032 0.000 0.807 128 G HN 2.361 nan 8.290 nan 0.000 0.502 129 G N -1.932 106.847 108.800 -0.035 0.000 2.176 129 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.253 129 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.253 129 G C 0.242 175.121 174.900 -0.035 0.000 0.979 129 G CA 0.488 45.570 45.100 -0.030 0.000 0.641 129 G HN 1.227 nan 8.290 nan 0.000 0.530 130 I N 2.076 122.622 120.570 -0.041 0.000 2.359 130 I HA 0.364 4.533 4.170 -0.001 0.000 0.294 130 I C 0.651 176.735 176.117 -0.055 0.000 0.987 130 I CA -0.613 60.663 61.300 -0.040 0.000 1.225 130 I CB 0.960 38.938 38.000 -0.035 0.000 1.366 130 I HN -0.023 nan 8.210 nan 0.000 0.466 131 T N 6.049 120.575 114.554 -0.047 0.000 2.752 131 T HA 0.254 4.603 4.350 -0.001 0.000 0.295 131 T C 1.418 176.086 174.700 -0.053 0.000 0.923 131 T CA -0.258 61.809 62.100 -0.055 0.000 1.112 131 T CB 1.365 70.213 68.868 -0.033 0.000 0.884 131 T HN 0.394 nan 8.240 nan 0.000 0.525 132 V N 1.738 121.606 119.914 -0.077 0.000 3.263 132 V HA 0.470 4.589 4.120 -0.001 0.000 0.248 132 V C 0.926 176.992 176.094 -0.047 0.000 1.145 132 V CA 0.656 62.919 62.300 -0.063 0.000 1.107 132 V CB -0.179 31.594 31.823 -0.083 0.000 0.797 132 V HN 1.017 nan 8.190 nan 0.000 0.467 133 A N -1.068 121.718 122.820 -0.058 0.000 2.612 133 A HA 0.851 5.170 4.320 -0.001 0.000 0.293 133 A C -0.438 177.153 177.584 0.011 0.000 1.075 133 A CA 0.105 52.135 52.037 -0.011 0.000 0.680 133 A CB 1.614 20.618 19.000 0.006 0.000 1.279 133 A HN 0.517 nan 8.150 nan 0.000 0.411 134 G N -1.163 107.674 108.800 0.061 0.000 2.646 134 G HA2 0.877 4.837 3.960 -0.001 0.000 0.291 134 G HA3 0.877 4.837 3.960 -0.001 0.000 0.291 134 G C -1.082 173.887 174.900 0.115 0.000 1.445 134 G CA 0.319 45.474 45.100 0.091 0.000 0.814 134 G HN 2.167 nan 8.290 nan 0.000 0.495 135 A N -0.219 122.680 122.820 0.132 0.000 2.488 135 A HA 0.752 5.072 4.320 -0.001 0.000 0.295 135 A C -1.326 176.338 177.584 0.134 0.000 1.045 135 A CA -0.507 51.610 52.037 0.135 0.000 0.703 135 A CB 1.903 20.981 19.000 0.131 0.000 1.271 135 A HN 1.518 nan 8.150 nan 0.000 0.400 136 V N 1.589 121.596 119.914 0.155 0.000 2.487 136 V HA 0.716 4.835 4.120 -0.001 0.000 0.298 136 V C 0.443 176.659 176.094 0.204 0.000 1.028 136 V CA -0.255 62.134 62.300 0.148 0.000 0.860 136 V CB 1.546 33.422 31.823 0.087 0.000 0.991 136 V HN 1.368 nan 8.190 nan 0.000 0.427 137 A N 2.891 125.804 122.820 0.155 0.000 2.260 137 A HA 0.543 4.862 4.320 -0.001 0.000 0.314 137 A C -0.180 177.487 177.584 0.137 0.000 1.257 137 A CA -0.392 51.730 52.037 0.141 0.000 0.871 137 A CB 0.473 19.538 19.000 0.108 0.000 1.166 137 A HN 0.786 nan 8.150 nan 0.000 0.522 138 D N 3.571 124.061 120.400 0.150 0.000 2.402 138 D HA 0.196 4.835 4.640 -0.001 0.000 0.235 138 D C 1.172 177.479 176.300 0.012 0.000 1.226 138 D CA -0.094 53.959 54.000 0.087 0.000 0.918 138 D CB 0.743 41.636 40.800 0.156 0.000 1.043 138 D HN 0.151 nan 8.370 nan 0.000 0.506 139 V N 4.277 124.179 119.914 -0.020 0.000 2.255 139 V HA -0.270 3.849 4.120 -0.001 0.000 0.247 139 V C 2.441 178.502 176.094 -0.055 0.000 1.051 139 V CA 2.295 64.602 62.300 0.012 0.000 1.018 139 V CB -0.741 31.174 31.823 0.153 0.000 0.641 139 V HN 0.670 nan 8.190 nan 0.000 0.445 140 A N -0.416 122.271 122.820 -0.221 0.000 1.968 140 A HA 0.095 4.414 4.320 -0.001 0.000 0.217 140 A C 2.286 179.825 177.584 -0.076 0.000 1.169 140 A CA 1.576 53.520 52.037 -0.155 0.000 0.638 140 A CB -0.548 18.300 19.000 -0.254 0.000 0.812 140 A HN 0.573 nan 8.150 nan 0.000 0.446 141 A N -1.137 121.643 122.820 -0.066 0.000 2.119 141 A HA 0.169 4.488 4.320 -0.001 0.000 0.216 141 A C 1.223 178.798 177.584 -0.015 0.000 1.152 141 A CA 0.703 52.724 52.037 -0.027 0.000 0.708 141 A CB -0.298 18.700 19.000 -0.003 0.000 0.805 141 A HN 0.502 nan 8.150 nan 0.000 0.460 142 R N -0.313 120.181 120.500 -0.009 0.000 3.422 142 R HA -0.133 4.206 4.340 -0.001 0.000 0.267 142 R C -0.269 176.020 176.300 -0.018 0.000 1.074 142 R CA 0.833 56.932 56.100 -0.002 0.000 0.718 142 R CB -2.752 27.548 30.300 0.001 0.000 1.157 142 R HN 0.745 nan 8.270 nan 0.000 0.440 143 T N -3.870 110.668 114.554 -0.027 0.000 2.916 143 T HA 0.767 5.116 4.350 -0.001 0.000 0.292 143 T C -0.151 174.500 174.700 -0.082 0.000 1.064 143 T CA -0.869 61.176 62.100 -0.092 0.000 1.011 143 T CB 2.893 71.664 68.868 -0.161 0.000 1.152 143 T HN -0.039 nan 8.240 nan 0.000 0.510 144 V N 1.720 121.540 119.914 -0.156 0.000 2.569 144 V HA 0.426 4.545 4.120 -0.001 0.000 0.301 144 V C -1.542 174.474 176.094 -0.130 0.000 1.044 144 V CA -1.027 61.239 62.300 -0.057 0.000 0.874 144 V CB 1.264 33.084 31.823 -0.004 0.000 1.002 144 V HN 0.926 nan 8.190 nan 0.000 0.424 145 Y N 2.565 122.883 120.300 0.030 0.000 2.323 145 Y HA 0.722 5.271 4.550 -0.002 0.000 0.331 145 Y C 0.770 176.694 175.900 0.040 0.000 1.092 145 Y CA -0.231 57.889 58.100 0.033 0.000 1.150 145 Y CB 2.059 40.531 38.460 0.020 0.000 1.200 145 Y HN 0.769 nan 8.280 nan 0.000 0.472 146 S N 0.955 116.764 115.700 0.182 0.000 2.596 146 S HA 0.983 5.452 4.470 -0.001 0.000 0.270 146 S C -1.174 173.475 174.600 0.081 0.000 1.155 146 S CA -0.639 57.640 58.200 0.131 0.000 0.827 146 S CB 1.990 65.263 63.200 0.122 0.000 1.130 146 S HN 1.096 nan 8.310 nan 0.000 0.467 147 A N 0.187 123.044 122.820 0.061 0.000 2.610 147 A HA 1.018 5.337 4.320 -0.001 0.000 0.291 147 A C -1.007 176.595 177.584 0.030 0.000 1.086 147 A CA -0.495 51.549 52.037 0.013 0.000 0.677 147 A CB 0.879 19.872 19.000 -0.013 0.000 1.278 147 A HN 2.324 nan 8.150 nan 0.000 0.414 148 A N 0.075 122.904 122.820 0.015 0.000 2.574 148 A HA 0.772 5.091 4.320 -0.001 0.000 0.297 148 A C -0.099 177.488 177.584 0.005 0.000 1.062 148 A CA 0.100 52.147 52.037 0.018 0.000 0.686 148 A CB 0.582 19.604 19.000 0.037 0.000 1.285 148 A HN 2.107 nan 8.150 nan 0.000 0.403 149 T N 0.223 114.776 114.554 -0.002 0.000 2.822 149 T HA 0.417 4.766 4.350 -0.001 0.000 0.288 149 T C 1.382 176.083 174.700 0.002 0.000 0.991 149 T CA 0.837 62.934 62.100 -0.005 0.000 1.176 149 T CB 0.345 69.207 68.868 -0.010 0.000 0.951 149 T HN 2.552 nan 8.240 nan 0.000 0.526 150 G N 2.589 111.389 108.800 0.001 0.000 2.179 150 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.260 150 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.260 150 G C 0.487 175.396 174.900 0.015 0.000 0.977 150 G CA 0.264 45.368 45.100 0.006 0.000 0.641 150 G HN 0.729 nan 8.290 nan 0.000 0.533 151 L N 0.250 121.483 121.223 0.016 0.000 2.766 151 L HA 0.523 4.862 4.340 -0.001 0.000 0.242 151 L C 1.504 178.385 176.870 0.018 0.000 1.136 151 L CA 0.358 55.222 54.840 0.040 0.000 0.933 151 L CB 0.230 42.325 42.059 0.061 0.000 1.241 151 L HN 1.113 nan 8.230 nan 0.000 0.522 152 G N 0.890 109.660 108.800 -0.050 0.000 2.756 152 G HA2 0.020 3.979 3.960 -0.001 0.000 0.678 152 G HA3 0.020 3.979 3.960 -0.001 0.000 0.678 152 G C -0.642 174.065 174.900 -0.323 0.000 1.349 152 G CA -0.420 44.584 45.100 -0.160 0.000 0.847 152 G HN 0.357 nan 8.290 nan 0.000 0.548 153 A N 1.026 123.607 122.820 -0.398 0.000 2.330 153 A HA 0.885 5.204 4.320 -0.001 0.000 0.327 153 A C -0.217 177.053 177.584 -0.522 0.000 1.155 153 A CA -0.458 51.376 52.037 -0.338 0.000 0.803 153 A CB 1.031 19.969 19.000 -0.103 0.000 1.208 153 A HN 1.084 nan 8.150 nan 0.000 0.477 154 H N 1.226 120.332 119.070 0.060 0.000 2.797 154 H HA 0.522 5.077 4.556 -0.002 0.000 0.372 154 H C -1.283 174.047 175.328 0.003 0.000 1.168 154 H CA -0.682 55.384 56.048 0.030 0.000 1.163 154 H CB 1.915 31.672 29.762 -0.009 0.000 1.778 154 H HN 0.611 nan 8.280 nan 0.000 0.551 155 L N 1.396 122.658 121.223 0.065 0.000 2.322 155 L HA 0.403 4.742 4.340 -0.001 0.000 0.281 155 L C -0.682 176.043 176.870 -0.242 0.000 1.014 155 L CA -0.423 54.316 54.840 -0.169 0.000 0.815 155 L CB 1.518 43.479 42.059 -0.163 0.000 1.247 155 L HN 0.577 nan 8.230 nan 0.000 0.421 156 T N 2.876 117.272 114.554 -0.264 0.000 2.792 156 T HA 0.525 4.874 4.350 -0.001 0.000 0.280 156 T C -0.989 173.584 174.700 -0.212 0.000 0.990 156 T CA -0.617 61.327 62.100 -0.261 0.000 0.960 156 T CB 1.556 70.328 68.868 -0.160 0.000 0.939 156 T HN 0.758 nan 8.240 nan 0.000 0.439 157 D N 0.559 120.845 120.400 -0.190 0.000 2.867 157 D HA 0.240 4.879 4.640 -0.001 0.000 0.308 157 D C 1.293 177.566 176.300 -0.046 0.000 1.202 157 D CA -0.774 53.179 54.000 -0.079 0.000 1.035 157 D CB 0.244 41.040 40.800 -0.006 0.000 1.427 157 D HN 0.369 nan 8.370 nan 0.000 0.570 158 E N 0.515 120.711 120.200 -0.006 0.000 2.118 158 E HA -0.255 4.094 4.350 -0.001 0.000 0.195 158 E C 0.996 177.606 176.600 0.016 0.000 0.992 158 E CA 0.996 57.397 56.400 0.002 0.000 0.804 158 E CB -0.329 29.376 29.700 0.008 0.000 0.741 158 E HN 0.454 nan 8.360 nan 0.000 0.458 159 R N 1.399 121.936 120.500 0.062 0.000 2.404 159 R HA 0.195 4.534 4.340 -0.001 0.000 0.236 159 R C 0.824 177.195 176.300 0.117 0.000 1.044 159 R CA 0.352 56.518 56.100 0.110 0.000 1.133 159 R CB -0.080 30.319 30.300 0.165 0.000 1.142 159 R HN 0.395 nan 8.270 nan 0.000 0.512 160 G N 1.483 110.265 108.800 -0.030 0.000 2.632 160 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.224 160 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.224 160 G C -0.893 173.750 174.900 -0.428 0.000 1.341 160 G CA -0.634 44.387 45.100 -0.132 0.000 0.880 160 G HN 0.376 nan 8.290 nan 0.000 0.566 161 R N 0.581 120.864 120.500 -0.363 0.000 2.297 161 R HA 0.566 4.905 4.340 -0.001 0.000 0.308 161 R C -0.384 175.689 176.300 -0.379 0.000 1.029 161 R CA -0.634 55.200 56.100 -0.443 0.000 0.929 161 R CB 0.352 30.494 30.300 -0.263 0.000 1.046 161 R HN 0.695 nan 8.270 nan 0.000 0.461 162 H N 2.067 121.140 119.070 0.005 0.000 2.679 162 H HA 0.266 4.821 4.556 -0.001 0.000 0.367 162 H C -0.430 174.986 175.328 0.147 0.000 1.162 162 H CA -0.832 55.243 56.048 0.044 0.000 1.181 162 H CB 1.532 31.307 29.762 0.022 0.000 1.693 162 H HN 0.221 nan 8.280 nan 0.000 0.538 163 V N 2.891 122.975 119.914 0.283 0.000 2.649 163 V HA 0.120 4.240 4.120 -0.001 0.000 0.292 163 V C 0.649 176.841 176.094 0.162 0.000 1.055 163 V CA -0.457 62.007 62.300 0.273 0.000 1.023 163 V CB 0.838 32.777 31.823 0.193 0.000 0.992 163 V HN 0.424 nan 8.190 nan 0.000 0.480 164 L N 5.643 126.921 121.223 0.093 0.000 2.317 164 L HA 0.706 5.045 4.340 -0.001 0.000 0.281 164 L C -0.109 176.786 176.870 0.042 0.000 1.024 164 L CA -0.670 54.216 54.840 0.077 0.000 0.810 164 L CB 1.473 43.584 42.059 0.088 0.000 1.240 164 L HN 0.511 nan 8.230 nan 0.000 0.427 165 R N 1.353 121.881 120.500 0.046 0.000 2.548 165 R HA 0.345 4.684 4.340 -0.001 0.000 0.280 165 R C -0.799 175.519 176.300 0.031 0.000 1.061 165 R CA -0.681 55.438 56.100 0.031 0.000 0.915 165 R CB 1.670 31.988 30.300 0.030 0.000 1.210 165 R HN 0.865 nan 8.270 nan 0.000 0.442 166 C N -0.028 119.286 119.300 0.024 0.000 2.553 166 C HA 0.621 5.081 4.460 -0.001 0.000 0.345 166 C C 1.612 176.614 174.990 0.021 0.000 1.369 166 C CA -0.619 58.413 59.018 0.023 0.000 2.447 166 C CB -0.020 27.732 27.740 0.020 0.000 2.358 166 C HN 0.853 nan 8.230 nan 0.000 0.676 167 T N -1.531 113.035 114.554 0.020 0.000 2.726 167 T HA 0.479 4.828 4.350 -0.001 0.000 0.294 167 T C 0.801 175.511 174.700 0.015 0.000 1.013 167 T CA 0.241 62.352 62.100 0.018 0.000 0.996 167 T CB 0.567 69.446 68.868 0.018 0.000 1.016 167 T HN 1.375 nan 8.240 nan 0.000 0.529 168 G N 0.354 109.162 108.800 0.013 0.000 3.936 168 G HA2 0.454 4.413 3.960 -0.001 0.000 0.296 168 G HA3 0.454 4.413 3.960 -0.001 0.000 0.296 168 G C 0.203 175.109 174.900 0.010 0.000 1.121 168 G CA -0.518 44.588 45.100 0.011 0.000 0.899 168 G HN 0.928 nan 8.290 nan 0.000 0.542 169 V N -1.070 118.850 119.914 0.011 0.000 2.788 169 V HA 0.164 4.283 4.120 -0.001 0.000 0.307 169 V C 0.440 176.539 176.094 0.008 0.000 1.069 169 V CA 0.042 62.348 62.300 0.010 0.000 1.173 169 V CB 1.015 32.845 31.823 0.013 0.000 0.925 169 V HN 0.126 nan 8.190 nan 0.000 0.492 170 D N 1.439 121.843 120.400 0.006 0.000 2.525 170 D HA 0.120 4.759 4.640 -0.001 0.000 0.248 170 D C 0.440 176.742 176.300 0.003 0.000 1.000 170 D CA 0.463 54.466 54.000 0.004 0.000 0.923 170 D CB 0.350 41.151 40.800 0.003 0.000 1.101 170 D HN 0.796 nan 8.370 nan 0.000 0.493 171 E N 1.012 121.214 120.200 0.004 0.000 2.167 171 E HA 0.152 4.501 4.350 -0.001 0.000 0.284 171 E C 0.644 177.247 176.600 0.006 0.000 1.016 171 E CA -0.279 56.123 56.400 0.004 0.000 0.817 171 E CB 2.009 31.711 29.700 0.004 0.000 1.080 171 E HN -0.119 nan 8.360 nan 0.000 0.397 172 L N 3.392 124.618 121.223 0.005 0.000 2.189 172 L HA -0.208 4.131 4.340 -0.001 0.000 0.214 172 L C 1.801 178.678 176.870 0.013 0.000 1.097 172 L CA 2.021 56.866 54.840 0.008 0.000 0.764 172 L CB -0.418 41.643 42.059 0.004 0.000 0.900 172 L HN 0.623 nan 8.230 nan 0.000 0.436 173 S N -2.288 113.419 115.700 0.011 0.000 2.555 173 S HA -0.065 4.404 4.470 -0.001 0.000 0.230 173 S C 1.543 176.151 174.600 0.013 0.000 0.978 173 S CA 0.673 58.881 58.200 0.013 0.000 0.934 173 S CB -0.313 62.893 63.200 0.011 0.000 0.766 173 S HN 0.410 nan 8.310 nan 0.000 0.533 174 M N 1.112 120.719 119.600 0.012 0.000 2.333 174 M HA 0.442 4.921 4.480 -0.001 0.000 0.257 174 M C 0.576 176.884 176.300 0.014 0.000 1.078 174 M CA -0.093 55.214 55.300 0.012 0.000 1.005 174 M CB -0.088 32.517 32.600 0.010 0.000 1.444 174 M HN 0.412 nan 8.290 nan 0.000 0.496 175 A N 1.620 124.450 122.820 0.017 0.000 2.309 175 A HA 0.571 4.890 4.320 -0.001 0.000 0.298 175 A C -0.575 177.024 177.584 0.025 0.000 1.165 175 A CA -0.524 51.526 52.037 0.021 0.000 0.821 175 A CB 0.629 19.643 19.000 0.023 0.000 1.102 175 A HN 0.313 nan 8.150 nan 0.000 0.500 176 L N 3.083 124.323 121.223 0.027 0.000 2.260 176 L HA 0.569 4.908 4.340 -0.001 0.000 0.289 176 L C -0.734 176.162 176.870 0.044 0.000 1.057 176 L CA -0.333 54.525 54.840 0.030 0.000 0.811 176 L CB 0.882 42.955 42.059 0.024 0.000 1.184 176 L HN 0.641 nan 8.230 nan 0.000 0.429 177 L N 5.113 126.366 121.223 0.050 0.000 2.307 177 L HA 0.847 5.186 4.340 -0.001 0.000 0.284 177 L C 0.182 177.105 176.870 0.089 0.000 1.023 177 L CA 0.060 54.945 54.840 0.076 0.000 0.810 177 L CB 1.566 43.666 42.059 0.068 0.000 1.231 177 L HN 0.658 nan 8.230 nan 0.000 0.423 178 G N 2.267 111.156 108.800 0.148 0.000 2.371 178 G HA2 0.647 4.606 3.960 -0.001 0.000 0.326 178 G HA3 0.647 4.606 3.960 -0.001 0.000 0.326 178 G C -0.806 174.246 174.900 0.252 0.000 1.127 178 G CA 0.086 45.295 45.100 0.181 0.000 0.885 178 G HN 0.780 nan 8.290 nan 0.000 0.477 179 T N -1.440 113.197 114.554 0.138 0.000 2.841 179 T HA 0.876 5.225 4.350 -0.001 0.000 0.296 179 T C 0.032 174.719 174.700 -0.020 0.000 1.166 179 T CA -0.296 61.824 62.100 0.034 0.000 1.007 179 T CB 2.044 70.888 68.868 -0.039 0.000 1.253 179 T HN 1.308 nan 8.240 nan 0.000 0.511 180 G N -1.050 107.674 108.800 -0.126 0.000 2.788 180 G HA2 0.664 4.624 3.960 -0.001 0.000 0.293 180 G HA3 0.664 4.624 3.960 -0.001 0.000 0.293 180 G C -0.789 173.963 174.900 -0.247 0.000 1.392 180 G CA -1.041 43.940 45.100 -0.197 0.000 0.810 180 G HN 0.612 nan 8.290 nan 0.000 0.508 181 F N 0.028 119.975 119.950 -0.004 0.000 2.414 181 F HA 0.552 5.079 4.527 -0.001 0.000 0.255 181 F C 1.817 177.607 175.800 -0.016 0.000 1.032 181 F CA 0.896 58.889 58.000 -0.012 0.000 1.049 181 F CB 0.498 39.501 39.000 0.004 0.000 1.140 181 F HN 0.930 nan 8.300 nan 0.000 0.643 182 G N -1.473 107.459 108.800 0.221 0.000 2.240 182 G HA2 0.013 3.972 3.960 -0.001 0.000 0.199 182 G HA3 0.013 3.972 3.960 -0.001 0.000 0.199 182 G C -0.290 174.661 174.900 0.085 0.000 1.342 182 G CA -0.098 45.065 45.100 0.104 0.000 1.145 182 G HN 0.420 nan 8.290 nan 0.000 0.477 183 Y N -0.449 119.878 120.300 0.045 0.000 2.507 183 Y HA 0.734 5.284 4.550 -0.001 0.000 0.263 183 Y C 2.526 178.442 175.900 0.026 0.000 1.093 183 Y CA 1.498 59.622 58.100 0.041 0.000 1.285 183 Y CB -0.587 37.893 38.460 0.033 0.000 1.115 183 Y HN 2.023 nan 8.280 nan 0.000 0.533 184 S N 1.383 117.094 115.700 0.020 0.000 3.355 184 S HA 0.440 4.909 4.470 -0.001 0.000 0.293 184 S C 1.472 176.075 174.600 0.005 0.000 1.197 184 S CA 0.434 58.646 58.200 0.020 0.000 1.117 184 S CB -0.886 62.341 63.200 0.045 0.000 1.587 184 S HN 1.414 nan 8.310 nan 0.000 0.536 185 V N 2.194 122.104 119.914 -0.006 0.000 2.535 185 V HA 0.070 4.189 4.120 -0.001 0.000 0.246 185 V C 2.618 178.675 176.094 -0.063 0.000 1.045 185 V CA 2.107 64.388 62.300 -0.033 0.000 1.058 185 V CB -1.235 30.582 31.823 -0.010 0.000 0.689 185 V HN 0.788 nan 8.190 nan 0.000 0.461 186 R N 0.340 120.815 120.500 -0.041 0.000 2.062 186 R HA -0.206 4.133 4.340 -0.001 0.000 0.231 186 R C 2.479 178.740 176.300 -0.065 0.000 1.136 186 R CA 1.933 58.006 56.100 -0.045 0.000 0.948 186 R CB -2.028 28.257 30.300 -0.024 0.000 0.845 186 R HN 1.363 nan 8.270 nan 0.000 0.430 187 C N 0.050 119.319 119.300 -0.053 0.000 2.491 187 C HA 0.253 4.713 4.460 -0.001 0.000 0.277 187 C C 2.281 177.214 174.990 -0.095 0.000 1.455 187 C CA 0.008 58.993 59.018 -0.055 0.000 1.758 187 C CB -1.110 26.616 27.740 -0.023 0.000 1.745 187 C HN 0.645 nan 8.230 nan 0.000 0.558 188 R N 1.094 121.495 120.500 -0.165 0.000 2.246 188 R HA -0.296 4.043 4.340 -0.001 0.000 0.266 188 R C 2.222 178.381 176.300 -0.236 0.000 1.163 188 R CA 2.413 58.324 56.100 -0.316 0.000 0.992 188 R CB -0.615 29.314 30.300 -0.620 0.000 0.895 188 R HN 0.751 nan 8.270 nan 0.000 0.465 189 E N 0.652 120.754 120.200 -0.163 0.000 2.160 189 E HA -0.208 4.141 4.350 -0.001 0.000 0.195 189 E C 1.628 178.190 176.600 -0.064 0.000 0.991 189 E CA 1.268 57.609 56.400 -0.098 0.000 0.810 189 E CB 0.142 29.796 29.700 -0.077 0.000 0.742 189 E HN 0.353 nan 8.360 nan 0.000 0.466 190 K N 0.109 120.472 120.400 -0.061 0.000 2.057 190 K HA -0.184 4.135 4.320 -0.001 0.000 0.207 190 K C 2.311 178.884 176.600 -0.044 0.000 1.049 190 K CA 1.517 57.769 56.287 -0.058 0.000 0.931 190 K CB -0.098 32.370 32.500 -0.053 0.000 0.714 190 K HN 0.176 nan 8.250 nan 0.000 0.440 191 Q N 0.230 120.032 119.800 0.004 0.000 2.084 191 Q HA -0.130 4.209 4.340 -0.001 0.000 0.202 191 Q C 2.203 178.279 176.000 0.126 0.000 0.978 191 Q CA 1.474 57.332 55.803 0.090 0.000 0.844 191 Q CB -0.193 28.667 28.738 0.203 0.000 0.898 191 Q HN 0.349 nan 8.270 nan 0.000 0.426 192 A N 0.838 123.743 122.820 0.142 0.000 1.930 192 A HA -0.220 4.099 4.320 -0.001 0.000 0.217 192 A C 1.902 179.475 177.584 -0.019 0.000 1.175 192 A CA 1.523 53.639 52.037 0.130 0.000 0.627 192 A CB -0.355 18.730 19.000 0.143 0.000 0.815 192 A HN 0.262 nan 8.150 nan 0.000 0.443 193 E N -0.355 119.791 120.200 -0.090 0.000 2.031 193 E HA -0.183 4.167 4.350 -0.001 0.000 0.193 193 E C 1.857 178.189 176.600 -0.446 0.000 0.994 193 E CA 1.327 57.589 56.400 -0.231 0.000 0.800 193 E CB -0.341 29.238 29.700 -0.202 0.000 0.752 193 E HN 0.471 nan 8.360 nan 0.000 0.447 194 L N 0.211 121.248 121.223 -0.310 0.000 2.042 194 L HA -0.175 4.164 4.340 -0.001 0.000 0.210 194 L C 2.032 178.771 176.870 -0.218 0.000 1.076 194 L CA 1.688 56.352 54.840 -0.294 0.000 0.749 194 L CB -0.364 41.658 42.059 -0.062 0.000 0.893 194 L HN 0.236 nan 8.230 nan 0.000 0.432 195 L N -0.714 120.459 121.223 -0.084 0.000 2.056 195 L HA -0.166 4.173 4.340 -0.001 0.000 0.207 195 L C 2.721 179.558 176.870 -0.054 0.000 1.078 195 L CA 1.096 55.925 54.840 -0.018 0.000 0.749 195 L CB -0.977 41.105 42.059 0.038 0.000 0.901 195 L HN 0.409 nan 8.230 nan 0.000 0.433 196 A N -0.557 122.203 122.820 -0.100 0.000 1.986 196 A HA -0.263 4.056 4.320 -0.001 0.000 0.220 196 A C 1.970 179.539 177.584 -0.026 0.000 1.171 196 A CA 1.728 53.728 52.037 -0.062 0.000 0.640 196 A CB -0.963 17.997 19.000 -0.067 0.000 0.811 196 A HN 0.534 nan 8.150 nan 0.000 0.451 197 H N -1.810 117.095 119.070 -0.276 0.000 2.389 197 H HA -0.050 4.505 4.556 -0.001 0.000 0.299 197 H C 2.155 177.347 175.328 -0.226 0.000 1.081 197 H CA 1.145 56.895 56.048 -0.496 0.000 1.345 197 H CB 0.080 29.029 29.762 -1.354 0.000 1.393 197 H HN 0.416 nan 8.280 nan 0.000 0.520 198 V N 0.518 120.455 119.914 0.038 0.000 2.951 198 V HA -0.094 4.025 4.120 -0.001 0.000 0.255 198 V C 2.026 178.158 176.094 0.063 0.000 1.088 198 V CA 0.631 63.001 62.300 0.116 0.000 1.109 198 V CB -0.386 31.497 31.823 0.099 0.000 0.724 198 V HN 0.184 nan 8.190 nan 0.000 0.471 199 V N 2.180 122.115 119.914 0.034 0.000 2.278 199 V HA -0.150 3.969 4.120 -0.001 0.000 0.251 199 V C 0.498 176.609 176.094 0.028 0.000 1.062 199 V CA 2.977 65.293 62.300 0.026 0.000 1.038 199 V CB -1.820 30.011 31.823 0.014 0.000 0.646 199 V HN 0.638 nan 8.190 nan 0.000 0.447 200 P HA -0.057 nan 4.420 nan 0.000 0.233 200 P C 1.485 178.806 177.300 0.034 0.000 1.167 200 P CA 1.114 64.231 63.100 0.027 0.000 0.770 200 P CB -0.013 31.701 31.700 0.022 0.000 0.837 201 L N -0.474 120.779 121.223 0.049 0.000 2.591 201 L HA 0.089 4.428 4.340 -0.001 0.000 0.228 201 L C 1.118 178.008 176.870 0.033 0.000 1.133 201 L CA 0.019 54.887 54.840 0.048 0.000 0.880 201 L CB -0.060 42.042 42.059 0.071 0.000 1.033 201 L HN -0.121 nan 8.230 nan 0.000 0.450 202 V N -5.127 114.805 119.914 0.031 0.000 3.040 202 V HA 0.396 4.515 4.120 -0.001 0.000 0.312 202 V C 1.041 177.148 176.094 0.021 0.000 1.115 202 V CA -1.035 61.280 62.300 0.026 0.000 0.998 202 V CB 2.154 33.994 31.823 0.029 0.000 1.042 202 V HN 0.047 nan 8.190 nan 0.000 0.433 203 R N 0.519 121.030 120.500 0.019 0.000 2.115 203 R HA -0.100 4.239 4.340 -0.001 0.000 0.239 203 R C 0.442 176.752 176.300 0.015 0.000 1.133 203 R CA 2.571 58.680 56.100 0.016 0.000 0.935 203 R CB 0.039 30.348 30.300 0.015 0.000 0.853 203 R HN 1.002 nan 8.270 nan 0.000 0.433 204 D N -2.698 117.712 120.400 0.018 0.000 2.692 204 D HA 0.273 4.912 4.640 -0.001 0.000 0.290 204 D C -1.794 174.518 176.300 0.020 0.000 1.281 204 D CA -0.477 53.532 54.000 0.016 0.000 0.804 204 D CB 1.965 42.772 40.800 0.012 0.000 1.331 204 D HN -0.098 nan 8.370 nan 0.000 0.432 205 V N 1.414 121.337 119.914 0.015 0.000 2.769 205 V HA 0.712 4.831 4.120 -0.001 0.000 0.312 205 V C -0.270 175.829 176.094 0.008 0.000 1.061 205 V CA -0.769 61.541 62.300 0.017 0.000 0.931 205 V CB 1.993 33.823 31.823 0.012 0.000 1.010 205 V HN 0.391 nan 8.190 nan 0.000 0.433 206 R N 2.434 122.941 120.500 0.012 0.000 2.599 206 R HA 0.648 4.987 4.340 -0.001 0.000 0.295 206 R C -0.861 175.432 176.300 -0.012 0.000 0.963 206 R CA -1.004 55.096 56.100 0.000 0.000 0.883 206 R CB 2.071 32.374 30.300 0.005 0.000 1.171 206 R HN 0.703 nan 8.270 nan 0.000 0.450 207 R N 3.298 123.776 120.500 -0.036 0.000 2.467 207 R HA 0.401 4.740 4.340 -0.001 0.000 0.299 207 R C -0.087 176.181 176.300 -0.054 0.000 1.120 207 R CA -0.049 56.011 56.100 -0.068 0.000 0.940 207 R CB 0.087 30.312 30.300 -0.126 0.000 1.161 207 R HN 0.761 nan 8.270 nan 0.000 0.506 208 I N 1.700 122.245 120.570 -0.041 0.000 3.790 208 I HA 0.278 4.448 4.170 -0.001 0.000 0.305 208 I C 0.993 177.101 176.117 -0.014 0.000 1.253 208 I CA 0.577 61.859 61.300 -0.030 0.000 1.355 208 I CB 0.675 38.652 38.000 -0.038 0.000 1.137 208 I HN 0.931 nan 8.210 nan 0.000 0.435 209 G N 1.214 110.006 108.800 -0.012 0.000 2.144 209 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.218 209 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.218 209 G C 0.290 175.217 174.900 0.046 0.000 0.988 209 G CA 0.163 45.277 45.100 0.023 0.000 0.659 209 G HN 0.323 nan 8.290 nan 0.000 0.522 210 S N -0.730 114.975 115.700 0.009 0.000 2.750 210 S HA 0.728 5.198 4.470 -0.001 0.000 0.276 210 S C 1.123 175.674 174.600 -0.082 0.000 1.165 210 S CA 0.661 58.863 58.200 0.004 0.000 1.047 210 S CB 0.946 64.158 63.200 0.021 0.000 1.056 210 S HN 1.645 nan 8.310 nan 0.000 0.481 211 A N 4.622 127.412 122.820 -0.051 0.000 1.902 211 A HA 0.185 4.504 4.320 -0.001 0.000 0.217 211 A C 2.318 179.766 177.584 -0.226 0.000 1.181 211 A CA 1.914 53.870 52.037 -0.134 0.000 0.623 211 A CB -1.181 17.847 19.000 0.047 0.000 0.818 211 A HN 1.321 nan 8.150 nan 0.000 0.443 212 A N -0.165 122.594 122.820 -0.101 0.000 1.883 212 A HA -0.109 4.210 4.320 -0.001 0.000 0.217 212 A C 2.169 179.636 177.584 -0.194 0.000 1.186 212 A CA 1.653 53.630 52.037 -0.099 0.000 0.624 212 A CB -0.648 18.346 19.000 -0.011 0.000 0.822 212 A HN 0.483 nan 8.150 nan 0.000 0.444 213 L N -0.705 120.407 121.223 -0.186 0.000 2.141 213 L HA -0.145 4.194 4.340 -0.001 0.000 0.209 213 L C 2.028 178.707 176.870 -0.318 0.000 1.094 213 L CA 1.110 55.810 54.840 -0.234 0.000 0.763 213 L CB -0.578 41.400 42.059 -0.135 0.000 0.908 213 L HN 0.344 nan 8.230 nan 0.000 0.437 214 D N 0.322 120.479 120.400 -0.405 0.000 2.097 214 D HA -0.153 4.486 4.640 -0.001 0.000 0.195 214 D C 2.391 178.375 176.300 -0.526 0.000 0.989 214 D CA 1.205 54.874 54.000 -0.552 0.000 0.827 214 D CB -0.093 40.059 40.800 -1.081 0.000 0.966 214 D HN 0.271 nan 8.370 nan 0.000 0.456 215 L N 0.435 121.334 121.223 -0.539 0.000 2.042 215 L HA -0.200 4.139 4.340 -0.001 0.000 0.210 215 L C 2.729 179.448 176.870 -0.250 0.000 1.076 215 L CA 0.868 55.532 54.840 -0.294 0.000 0.749 215 L CB -0.325 41.623 42.059 -0.185 0.000 0.893 215 L HN 0.127 nan 8.230 nan 0.000 0.432 216 C N -0.800 118.281 119.300 -0.365 0.000 2.440 216 C HA -0.123 4.336 4.460 -0.001 0.000 0.278 216 C C 2.863 177.619 174.990 -0.390 0.000 1.295 216 C CA 0.494 59.188 59.018 -0.539 0.000 1.738 216 C CB -0.570 26.467 27.740 -1.172 0.000 1.987 216 C HN 0.487 nan 8.230 nan 0.000 0.492 217 M N 0.208 119.631 119.600 -0.295 0.000 2.117 217 M HA -0.145 4.334 4.480 -0.001 0.000 0.262 217 M C 2.177 178.434 176.300 -0.073 0.000 1.065 217 M CA 1.572 56.788 55.300 -0.140 0.000 1.114 217 M CB -0.472 32.057 32.600 -0.118 0.000 1.361 217 M HN 0.250 nan 8.290 nan 0.000 0.408 218 V N 0.326 120.191 119.914 -0.082 0.000 2.343 218 V HA -0.264 3.855 4.120 -0.001 0.000 0.247 218 V C 2.621 178.709 176.094 -0.011 0.000 1.051 218 V CA 2.021 64.308 62.300 -0.022 0.000 1.036 218 V CB -1.232 30.595 31.823 0.007 0.000 0.654 218 V HN 0.529 nan 8.190 nan 0.000 0.451 219 A N -0.006 122.795 122.820 -0.032 0.000 1.908 219 A HA -0.127 4.192 4.320 -0.001 0.000 0.218 219 A C 2.334 179.944 177.584 0.044 0.000 1.181 219 A CA 2.147 54.185 52.037 0.002 0.000 0.627 219 A CB -0.700 18.297 19.000 -0.005 0.000 0.818 219 A HN 0.597 nan 8.150 nan 0.000 0.445 220 A N -2.245 120.612 122.820 0.062 0.000 2.119 220 A HA 0.384 4.703 4.320 -0.001 0.000 0.216 220 A C 1.901 179.525 177.584 0.067 0.000 1.152 220 A CA 1.413 53.519 52.037 0.114 0.000 0.708 220 A CB -0.755 18.362 19.000 0.196 0.000 0.805 220 A HN 1.949 nan 8.150 nan 0.000 0.460 221 G N -1.115 107.709 108.800 0.039 0.000 2.141 221 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.231 221 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.231 221 G C 0.862 175.777 174.900 0.025 0.000 0.984 221 G CA 0.417 45.535 45.100 0.030 0.000 0.660 221 G HN 0.518 nan 8.290 nan 0.000 0.525 222 R N -0.839 119.674 120.500 0.022 0.000 2.246 222 R HA 0.376 4.715 4.340 -0.001 0.000 0.199 222 R C 0.882 177.187 176.300 0.008 0.000 0.984 222 R CA 0.586 56.695 56.100 0.016 0.000 1.015 222 R CB 0.239 30.549 30.300 0.017 0.000 0.930 222 R HN 0.428 nan 8.270 nan 0.000 0.475 223 L N -0.138 121.090 121.223 0.007 0.000 2.354 223 L HA 0.270 4.609 4.340 -0.001 0.000 0.264 223 L C 0.183 177.071 176.870 0.029 0.000 1.008 223 L CA -0.733 54.119 54.840 0.020 0.000 0.819 223 L CB 2.301 44.374 42.059 0.023 0.000 1.339 223 L HN -0.147 nan 8.230 nan 0.000 0.420 224 D N 0.859 121.281 120.400 0.037 0.000 2.271 224 D HA 0.217 4.856 4.640 -0.001 0.000 0.206 224 D C 0.283 176.614 176.300 0.052 0.000 0.967 224 D CA 0.708 54.730 54.000 0.037 0.000 0.867 224 D CB 1.025 41.844 40.800 0.031 0.000 0.960 224 D HN 0.544 nan 8.370 nan 0.000 0.509 225 A N -0.408 122.456 122.820 0.075 0.000 2.599 225 A HA 0.538 4.858 4.320 -0.001 0.000 0.290 225 A C -2.082 175.616 177.584 0.189 0.000 1.101 225 A CA -0.664 51.438 52.037 0.108 0.000 0.674 225 A CB 1.619 20.666 19.000 0.079 0.000 1.277 225 A HN 0.030 nan 8.150 nan 0.000 0.419 226 Y N -0.087 120.242 120.300 0.048 0.000 2.470 226 Y HA 0.650 5.199 4.550 -0.002 0.000 0.341 226 Y C -2.085 173.893 175.900 0.129 0.000 1.021 226 Y CA -1.298 56.836 58.100 0.056 0.000 1.025 226 Y CB 1.788 40.254 38.460 0.010 0.000 1.266 226 Y HN 1.066 nan 8.280 nan 0.000 0.448 227 Y N 5.122 125.027 120.300 -0.658 0.000 2.396 227 Y HA 0.645 5.194 4.550 -0.001 0.000 0.332 227 Y C -1.646 173.839 175.900 -0.692 0.000 1.034 227 Y CA -0.743 56.997 58.100 -0.600 0.000 1.057 227 Y CB 1.634 39.956 38.460 -0.230 0.000 1.220 227 Y HN 0.787 nan 8.280 nan 0.000 0.440 228 E N 3.966 123.401 120.200 -1.276 0.000 2.308 228 E HA 0.231 4.580 4.350 -0.001 0.000 0.275 228 E C -2.083 174.104 176.600 -0.688 0.000 0.890 228 E CA -0.967 54.854 56.400 -0.965 0.000 0.754 228 E CB 1.297 30.704 29.700 -0.488 0.000 1.207 228 E HN 0.808 nan 8.360 nan 0.000 0.426 229 H N 2.238 120.951 119.070 -0.594 0.000 2.641 229 H HA 0.481 5.036 4.556 -0.001 0.000 0.295 229 H C -0.045 175.203 175.328 -0.134 0.000 1.070 229 H CA 1.003 56.891 56.048 -0.267 0.000 1.257 229 H CB 1.082 30.764 29.762 -0.133 0.000 1.393 229 H HN 0.702 nan 8.280 nan 0.000 0.464 230 G N 3.882 112.468 108.800 -0.356 0.000 2.919 230 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.225 230 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.225 230 G C -1.197 173.610 174.900 -0.156 0.000 1.117 230 G CA -0.138 44.812 45.100 -0.249 0.000 1.033 230 G HN 0.610 nan 8.290 nan 0.000 0.532 231 V N 2.133 121.942 119.914 -0.173 0.000 2.417 231 V HA 0.476 4.595 4.120 -0.001 0.000 0.291 231 V C 0.546 176.496 176.094 -0.241 0.000 1.024 231 V CA -1.176 61.038 62.300 -0.145 0.000 0.861 231 V CB 1.745 33.518 31.823 -0.082 0.000 0.985 231 V HN 0.548 nan 8.190 nan 0.000 0.436 232 Q N 2.242 121.835 119.800 -0.346 0.000 2.432 232 Q HA 0.112 4.451 4.340 -0.001 0.000 0.264 232 Q C 1.393 176.994 176.000 -0.666 0.000 1.035 232 Q CA 0.065 55.443 55.803 -0.708 0.000 0.908 232 Q CB 1.105 29.110 28.738 -1.221 0.000 1.280 232 Q HN 0.569 nan 8.270 nan 0.000 0.455 233 V N 1.242 120.746 119.914 -0.684 0.000 2.407 233 V HA -0.249 3.870 4.120 -0.001 0.000 0.248 233 V C 1.706 177.696 176.094 -0.174 0.000 1.055 233 V CA 2.208 64.310 62.300 -0.330 0.000 1.049 233 V CB -0.752 30.951 31.823 -0.200 0.000 0.662 233 V HN 0.923 nan 8.190 nan 0.000 0.455 234 W N 0.308 121.618 121.300 0.017 0.000 2.699 234 W HA 0.080 4.740 4.660 -0.001 0.000 0.249 234 W C 1.311 177.847 176.519 0.027 0.000 1.280 234 W CA 0.527 57.887 57.345 0.025 0.000 1.345 234 W CB -0.776 28.701 29.460 0.029 0.000 1.128 234 W HN 0.182 nan 8.180 nan 0.000 0.642 235 D N 0.016 120.467 120.400 0.085 0.000 2.366 235 D HA -0.004 4.635 4.640 -0.001 0.000 0.205 235 D C 1.776 178.098 176.300 0.038 0.000 1.022 235 D CA 1.202 55.267 54.000 0.109 0.000 0.868 235 D CB -0.106 40.744 40.800 0.083 0.000 0.953 235 D HN 0.425 nan 8.370 nan 0.000 0.514 236 C N -1.496 117.803 119.300 -0.003 0.000 3.580 236 C HA 0.708 5.167 4.460 -0.001 0.000 0.337 236 C C 2.449 177.444 174.990 0.008 0.000 1.412 236 C CA 0.140 59.161 59.018 0.005 0.000 1.797 236 C CB 0.037 27.780 27.740 0.005 0.000 2.470 236 C HN 0.087 nan 8.230 nan 0.000 0.691 237 A N 2.384 125.211 122.820 0.013 0.000 1.851 237 A HA 0.147 4.466 4.320 -0.001 0.000 0.216 237 A C 2.563 180.159 177.584 0.021 0.000 1.195 237 A CA 2.841 54.886 52.037 0.014 0.000 0.622 237 A CB -1.369 17.649 19.000 0.030 0.000 0.831 237 A HN 1.022 nan 8.150 nan 0.000 0.444 238 A N -0.726 122.119 122.820 0.042 0.000 1.845 238 A HA 0.116 4.435 4.320 -0.001 0.000 0.215 238 A C 2.525 180.122 177.584 0.022 0.000 1.195 238 A CA 2.154 54.217 52.037 0.044 0.000 0.616 238 A CB -1.620 17.424 19.000 0.074 0.000 0.832 238 A HN 0.893 nan 8.150 nan 0.000 0.443 239 G N -0.512 108.291 108.800 0.005 0.000 2.469 239 G HA2 -0.069 3.890 3.960 -0.001 0.000 0.219 239 G HA3 -0.069 3.890 3.960 -0.001 0.000 0.219 239 G C 1.760 176.647 174.900 -0.021 0.000 1.150 239 G CA 1.790 46.870 45.100 -0.034 0.000 0.763 239 G HN 0.879 nan 8.290 nan 0.000 0.561 240 A N 0.478 123.298 122.820 -0.001 0.000 1.883 240 A HA 0.004 4.324 4.320 -0.001 0.000 0.217 240 A C 2.391 179.978 177.584 0.004 0.000 1.186 240 A CA 1.523 53.567 52.037 0.011 0.000 0.624 240 A CB -0.519 18.489 19.000 0.014 0.000 0.822 240 A HN 0.379 nan 8.150 nan 0.000 0.444 241 L N -0.547 120.677 121.223 0.001 0.000 2.046 241 L HA -0.166 4.173 4.340 -0.001 0.000 0.208 241 L C 2.442 179.310 176.870 -0.003 0.000 1.077 241 L CA 1.601 56.440 54.840 -0.002 0.000 0.747 241 L CB -0.349 41.709 42.059 -0.001 0.000 0.896 241 L HN 0.456 nan 8.230 nan 0.000 0.432 242 I N -0.081 120.488 120.570 -0.001 0.000 2.099 242 I HA -0.310 3.859 4.170 -0.001 0.000 0.239 242 I C 2.820 178.931 176.117 -0.009 0.000 1.066 242 I CA 1.329 62.629 61.300 -0.001 0.000 1.324 242 I CB -0.565 37.442 38.000 0.011 0.000 1.037 242 I HN 0.269 nan 8.210 nan 0.000 0.401 243 A N 0.752 123.563 122.820 -0.015 0.000 1.917 243 A HA -0.253 4.066 4.320 -0.001 0.000 0.219 243 A C 2.525 180.109 177.584 0.000 0.000 1.182 243 A CA 2.256 54.288 52.037 -0.008 0.000 0.633 243 A CB -1.002 17.998 19.000 -0.000 0.000 0.819 243 A HN 0.479 nan 8.150 nan 0.000 0.448 244 A N -0.669 122.151 122.820 0.001 0.000 1.877 244 A HA -0.138 4.181 4.320 -0.001 0.000 0.216 244 A C 1.855 179.435 177.584 -0.007 0.000 1.186 244 A CA 1.633 53.670 52.037 0.001 0.000 0.620 244 A CB -0.430 18.570 19.000 0.000 0.000 0.822 244 A HN 0.443 nan 8.150 nan 0.000 0.443 245 E N -0.162 120.029 120.200 -0.015 0.000 2.409 245 E HA -0.002 4.348 4.350 -0.001 0.000 0.198 245 E C 1.680 178.260 176.600 -0.034 0.000 1.024 245 E CA 0.846 57.229 56.400 -0.028 0.000 0.861 245 E CB -0.278 29.395 29.700 -0.045 0.000 0.788 245 E HN 0.583 nan 8.360 nan 0.000 0.521 246 A N -0.277 122.532 122.820 -0.020 0.000 2.275 246 A HA 0.378 4.697 4.320 -0.001 0.000 0.212 246 A C 1.575 179.159 177.584 0.000 0.000 1.201 246 A CA 0.792 52.823 52.037 -0.010 0.000 0.843 246 A CB 0.057 19.059 19.000 0.004 0.000 0.873 246 A HN 0.228 nan 8.150 nan 0.000 0.492 247 G N -1.936 106.864 108.800 -0.000 0.000 2.176 247 G HA2 0.106 4.065 3.960 -0.001 0.000 0.232 247 G HA3 0.106 4.065 3.960 -0.001 0.000 0.232 247 G C 0.443 175.348 174.900 0.008 0.000 0.986 247 G CA 0.173 45.276 45.100 0.004 0.000 0.643 247 G HN 1.533 nan 8.290 nan 0.000 0.522 248 A N -0.270 122.557 122.820 0.010 0.000 2.351 248 A HA 0.774 5.094 4.320 -0.001 0.000 0.257 248 A C 0.620 178.214 177.584 0.017 0.000 1.087 248 A CA 0.211 52.258 52.037 0.017 0.000 0.798 248 A CB 0.423 19.436 19.000 0.023 0.000 1.033 248 A HN 0.739 nan 8.150 nan 0.000 0.488 249 R N 0.956 121.467 120.500 0.020 0.000 2.267 249 R HA 0.479 4.818 4.340 -0.001 0.000 0.319 249 R C -1.278 175.038 176.300 0.026 0.000 1.067 249 R CA 0.311 56.422 56.100 0.018 0.000 0.936 249 R CB 0.236 30.545 30.300 0.015 0.000 1.006 249 R HN 0.428 nan 8.270 nan 0.000 0.452 250 V N 6.820 126.748 119.914 0.023 0.000 2.638 250 V HA 0.486 4.605 4.120 -0.001 0.000 0.306 250 V C -1.154 174.953 176.094 0.022 0.000 1.052 250 V CA -0.947 61.371 62.300 0.031 0.000 0.885 250 V CB 1.508 33.350 31.823 0.030 0.000 0.999 250 V HN 0.663 nan 8.190 nan 0.000 0.424 251 L N 3.422 124.660 121.223 0.025 0.000 2.431 251 L HA 0.787 5.126 4.340 -0.001 0.000 0.266 251 L C -1.032 175.848 176.870 0.016 0.000 0.978 251 L CA -0.595 54.255 54.840 0.017 0.000 0.822 251 L CB 1.971 44.039 42.059 0.014 0.000 1.310 251 L HN 0.435 nan 8.230 nan 0.000 0.409 252 L N 2.654 123.879 121.223 0.003 0.000 2.356 252 L HA 0.526 4.865 4.340 -0.001 0.000 0.264 252 L C 0.448 177.309 176.870 -0.015 0.000 1.029 252 L CA -0.097 54.737 54.840 -0.010 0.000 0.897 252 L CB 1.301 43.348 42.059 -0.019 0.000 1.256 252 L HN 0.939 nan 8.230 nan 0.000 0.444 261 G N -0.130 108.580 108.800 -0.150 0.000 2.525 261 G HA2 0.524 4.483 3.960 -0.001 0.000 0.276 261 G HA3 0.524 4.483 3.960 -0.001 0.000 0.276 261 G C 0.014 174.795 174.900 -0.199 0.000 1.388 261 G CA -0.226 44.752 45.100 -0.203 0.000 1.050 261 G HN 0.432 nan 8.290 nan 0.000 0.520 262 L N -1.443 119.654 121.223 -0.210 0.000 2.301 262 L HA 0.512 4.851 4.340 -0.001 0.000 0.264 262 L C -0.547 176.194 176.870 -0.215 0.000 1.016 262 L CA -1.143 53.589 54.840 -0.181 0.000 0.821 262 L CB 2.239 44.215 42.059 -0.138 0.000 1.346 262 L HN 0.142 nan 8.230 nan 0.000 0.429 263 V N 1.975 121.792 119.914 -0.161 0.000 2.370 263 V HA 0.360 4.479 4.120 -0.001 0.000 0.279 263 V C -0.156 175.908 176.094 -0.050 0.000 1.029 263 V CA -0.520 61.715 62.300 -0.108 0.000 0.870 263 V CB 1.718 33.553 31.823 0.021 0.000 0.984 263 V HN 0.379 nan 8.190 nan 0.000 0.451 264 V N 5.846 125.711 119.914 -0.083 0.000 2.448 264 V HA 0.570 4.689 4.120 -0.001 0.000 0.295 264 V C -0.320 175.753 176.094 -0.035 0.000 1.025 264 V CA -0.576 61.693 62.300 -0.051 0.000 0.859 264 V CB 1.957 33.759 31.823 -0.035 0.000 0.988 264 V HN 0.581 nan 8.190 nan 0.000 0.431 265 V N 3.574 123.511 119.914 0.038 0.000 2.531 265 V HA 0.881 5.000 4.120 -0.001 0.000 0.301 265 V C -0.000 176.137 176.094 0.072 0.000 1.034 265 V CA -0.439 61.899 62.300 0.065 0.000 0.865 265 V CB 1.763 33.633 31.823 0.078 0.000 0.995 265 V HN 1.029 nan 8.190 nan 0.000 0.424 266 A N 3.853 126.737 122.820 0.107 0.000 2.381 266 A HA 1.018 5.337 4.320 -0.001 0.000 0.299 266 A C -0.447 177.200 177.584 0.106 0.000 1.049 266 A CA -0.071 52.037 52.037 0.118 0.000 0.715 266 A CB 1.728 20.832 19.000 0.174 0.000 1.222 266 A HN 1.655 nan 8.150 nan 0.000 0.428 267 A N 1.190 124.050 122.820 0.067 0.000 2.574 267 A HA 0.855 5.174 4.320 -0.001 0.000 0.297 267 A C 0.035 177.640 177.584 0.036 0.000 1.062 267 A CA -0.048 52.021 52.037 0.053 0.000 0.686 267 A CB 0.775 19.799 19.000 0.040 0.000 1.285 267 A HN 2.522 nan 8.150 nan 0.000 0.403 268 A N 2.743 125.582 122.820 0.032 0.000 2.540 268 A HA 0.498 4.817 4.320 -0.001 0.000 0.239 268 A C -0.931 176.663 177.584 0.017 0.000 1.061 268 A CA -0.248 51.802 52.037 0.023 0.000 0.758 268 A CB -0.299 18.714 19.000 0.021 0.000 0.991 268 A HN 0.607 nan 8.150 nan 0.000 0.502 269 P HA -0.152 nan 4.420 nan 0.000 0.216 269 P C 1.441 178.745 177.300 0.006 0.000 1.150 269 P CA 1.920 65.025 63.100 0.009 0.000 0.837 269 P CB -0.125 31.580 31.700 0.008 0.000 0.786 270 G N -0.812 107.992 108.800 0.007 0.000 2.625 270 G HA2 -0.117 3.842 3.960 -0.001 0.000 0.214 270 G HA3 -0.117 3.842 3.960 -0.001 0.000 0.214 270 G C 1.334 176.236 174.900 0.003 0.000 1.132 270 G CA 0.183 45.286 45.100 0.004 0.000 0.782 270 G HN 0.335 nan 8.290 nan 0.000 0.538 271 I N -0.865 119.708 120.570 0.004 0.000 4.442 271 I HA 0.308 4.477 4.170 -0.001 0.000 0.331 271 I C 2.308 178.425 176.117 -0.001 0.000 1.364 271 I CA 0.289 61.591 61.300 0.002 0.000 1.207 271 I CB 0.518 38.523 38.000 0.008 0.000 1.298 271 I HN 0.098 nan 8.210 nan 0.000 0.463 272 A N 0.604 123.424 122.820 0.000 0.000 1.855 272 A HA -0.182 4.137 4.320 -0.001 0.000 0.215 272 A C 1.819 179.395 177.584 -0.013 0.000 1.191 272 A CA 2.052 54.088 52.037 -0.002 0.000 0.613 272 A CB -0.425 18.577 19.000 0.003 0.000 0.829 272 A HN 0.355 nan 8.150 nan 0.000 0.442 273 D N -0.578 119.813 120.400 -0.015 0.000 2.092 273 D HA -0.191 4.448 4.640 -0.001 0.000 0.193 273 D C 1.862 178.142 176.300 -0.033 0.000 0.994 273 D CA 1.632 55.618 54.000 -0.024 0.000 0.828 273 D CB -0.529 40.259 40.800 -0.021 0.000 0.963 273 D HN 0.726 nan 8.370 nan 0.000 0.450 274 E N -0.037 120.146 120.200 -0.028 0.000 2.160 274 E HA -0.186 4.163 4.350 -0.001 0.000 0.195 274 E C 2.101 178.676 176.600 -0.042 0.000 0.991 274 E CA 0.539 56.919 56.400 -0.033 0.000 0.810 274 E CB -0.036 29.652 29.700 -0.022 0.000 0.742 274 E HN 0.115 nan 8.360 nan 0.000 0.466 275 L N 0.385 121.585 121.223 -0.037 0.000 2.095 275 L HA -0.042 4.298 4.340 -0.001 0.000 0.204 275 L C 2.072 178.894 176.870 -0.080 0.000 1.080 275 L CA 1.262 56.073 54.840 -0.049 0.000 0.759 275 L CB -0.264 41.776 42.059 -0.032 0.000 0.914 275 L HN 0.180 nan 8.230 nan 0.000 0.439 276 L N -0.327 120.855 121.223 -0.068 0.000 2.042 276 L HA -0.203 4.136 4.340 -0.001 0.000 0.210 276 L C 2.705 179.516 176.870 -0.099 0.000 1.076 276 L CA 1.237 56.030 54.840 -0.078 0.000 0.749 276 L CB -0.913 41.117 42.059 -0.049 0.000 0.893 276 L HN 0.416 nan 8.230 nan 0.000 0.432 277 A N 0.067 122.829 122.820 -0.095 0.000 1.851 277 A HA -0.239 4.080 4.320 -0.001 0.000 0.216 277 A C 2.537 180.009 177.584 -0.187 0.000 1.195 277 A CA 1.956 53.921 52.037 -0.121 0.000 0.622 277 A CB -0.946 17.994 19.000 -0.101 0.000 0.831 277 A HN 0.408 nan 8.150 nan 0.000 0.444 278 A N -0.534 122.180 122.820 -0.177 0.000 1.948 278 A HA -0.106 4.214 4.320 -0.001 0.000 0.220 278 A C 2.219 179.643 177.584 -0.266 0.000 1.177 278 A CA 1.671 53.565 52.037 -0.238 0.000 0.636 278 A CB -0.611 18.341 19.000 -0.079 0.000 0.815 278 A HN 0.499 nan 8.150 nan 0.000 0.449 279 L N -1.165 119.951 121.223 -0.179 0.000 2.005 279 L HA -0.233 4.106 4.340 -0.001 0.000 0.207 279 L C 2.982 179.766 176.870 -0.144 0.000 1.072 279 L CA 1.604 56.340 54.840 -0.174 0.000 0.744 279 L CB -0.679 41.209 42.059 -0.284 0.000 0.895 279 L HN 0.493 nan 8.230 nan 0.000 0.433 280 Q N -0.244 119.466 119.800 -0.150 0.000 2.061 280 Q HA -0.294 4.045 4.340 -0.001 0.000 0.204 280 Q C 2.245 178.147 176.000 -0.163 0.000 0.984 280 Q CA 1.725 57.458 55.803 -0.118 0.000 0.846 280 Q CB -0.311 28.365 28.738 -0.103 0.000 0.902 280 Q HN 0.349 nan 8.270 nan 0.000 0.421 281 R N -0.006 120.310 120.500 -0.307 0.000 2.226 281 R HA -0.173 4.167 4.340 -0.001 0.000 0.246 281 R C 0.837 176.844 176.300 -0.489 0.000 1.161 281 R CA 1.429 57.240 56.100 -0.482 0.000 0.997 281 R CB -0.023 29.820 30.300 -0.760 0.000 0.870 281 R HN 0.258 nan 8.270 nan 0.000 0.465 282 F N -0.864 119.082 119.950 -0.006 0.000 2.729 282 F HA 0.308 4.834 4.527 -0.001 0.000 0.315 282 F C -0.231 175.568 175.800 -0.002 0.000 1.102 282 F CA -0.738 57.284 58.000 0.037 0.000 1.204 282 F CB 0.357 39.420 39.000 0.107 0.000 1.052 282 F HN -0.043 nan 8.300 nan 0.000 0.551 283 N N 1.313 120.067 118.700 0.091 0.000 2.522 283 N HA -0.140 4.599 4.740 -0.001 0.000 0.281 283 N C 0.444 175.963 175.510 0.015 0.000 1.267 283 N CA 0.240 53.313 53.050 0.039 0.000 0.675 283 N CB -0.755 37.755 38.487 0.038 0.000 0.890 283 N HN 0.635 nan 8.380 nan 0.000 0.542 284 G N -0.627 108.173 108.800 -0.001 0.000 2.371 284 G HA2 0.341 4.301 3.960 -0.001 0.000 0.177 284 G HA3 0.341 4.301 3.960 -0.001 0.000 0.177 284 G C 1.038 176.032 174.900 0.156 0.000 1.427 284 G CA 0.485 45.602 45.100 0.028 0.000 0.739 284 G HN 0.481 nan 8.290 nan 0.000 1.033 285 L N 0.709 121.967 121.223 0.058 0.000 2.660 285 L HA 0.703 5.042 4.340 -0.001 0.000 0.238 285 L C 0.700 177.638 176.870 0.112 0.000 1.161 285 L CA 0.828 55.728 54.840 0.100 0.000 0.937 285 L CB -1.151 40.912 42.059 0.006 0.000 1.122 285 L HN 0.257 nan 8.230 nan 0.000 0.435 286 E N 0.000 120.281 120.200 0.136 0.000 2.725 286 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 286 E CA 0.000 56.471 56.400 0.118 0.000 0.976 286 E CB 0.000 29.739 29.700 0.065 0.000 0.812 286 E HN 0.000 nan 8.360 nan 0.000 0.440