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 2fm5_1_B DATA FIRST_RESID 86 DATA SEQUENCE TEQEDVLAKE LEDVNKWGLH VFRIAELSGN RPLTVIMHTI FQERDLLKTF DATA SEQUENCE KIPVDTLITY LMTLEDHYHA DVAYHNNIHA ADVVQSTHVL LSTPALEAVF DATA SEQUENCE TDLEILAAIF ASAIHDVDHP GVSNQFLINT NSELALMYND SSVLENHHLA DATA SEQUENCE VGFKLLQEEN CDIFQNLTKK QRQSLRKMVI DIVLATDMSK HMNLLADLKT DATA SEQUENCE MVETKKVTSS GVLLLDNYSD RIQVLQNMVH CADLSNPTKP LQLYRQWTDR DATA SEQUENCE IMEEFFRQGD RERERGMEIS PMCDKHNASV EKSQVGFIDY IVHPLWETWA DATA SEQUENCE DLVHPDAQDI LDTLEDNREW YQSTIPQ 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 86 T HA 0.000 nan 4.350 nan 0.000 0.228 86 T C 0.000 174.703 174.700 0.005 0.000 1.109 86 T CA 0.000 62.103 62.100 0.005 0.000 1.349 86 T CB 0.000 68.872 68.868 0.006 0.000 0.612 87 E N 2.183 122.385 120.200 0.004 0.000 2.058 87 E HA -0.247 4.215 4.350 0.187 0.000 0.194 87 E C 1.835 178.438 176.600 0.005 0.000 0.997 87 E CA 1.483 57.885 56.400 0.004 0.000 0.801 87 E CB -0.502 29.200 29.700 0.003 0.000 0.746 87 E HN 0.635 nan 8.360 nan 0.000 0.450 88 Q N 0.442 120.244 119.800 0.005 0.000 2.378 88 Q HA -0.074 4.378 4.340 0.187 0.000 0.205 88 Q C 1.990 177.995 176.000 0.008 0.000 0.954 88 Q CA 0.788 56.595 55.803 0.006 0.000 0.901 88 Q CB 0.034 28.775 28.738 0.004 0.000 0.981 88 Q HN 0.433 nan 8.270 nan 0.000 0.483 89 E N 1.218 121.422 120.200 0.008 0.000 2.209 89 E HA -0.224 4.238 4.350 0.187 0.000 0.196 89 E C 0.811 177.418 176.600 0.011 0.000 0.993 89 E CA 1.088 57.494 56.400 0.010 0.000 0.819 89 E CB 0.232 29.937 29.700 0.010 0.000 0.745 89 E HN 0.355 nan 8.360 nan 0.000 0.477 90 D N -0.219 120.187 120.400 0.010 0.000 2.162 90 D HA -0.100 4.653 4.640 0.187 0.000 0.203 90 D C 2.082 178.390 176.300 0.013 0.000 0.967 90 D CA 0.756 54.763 54.000 0.011 0.000 0.840 90 D CB 0.056 40.861 40.800 0.010 0.000 0.972 90 D HN 0.141 nan 8.370 nan 0.000 0.482 91 V N 1.877 121.799 119.914 0.014 0.000 2.307 91 V HA -0.186 4.046 4.120 0.187 0.000 0.245 91 V C 2.649 178.755 176.094 0.020 0.000 1.045 91 V CA 1.043 63.354 62.300 0.018 0.000 1.024 91 V CB -0.518 31.316 31.823 0.018 0.000 0.651 91 V HN 0.158 nan 8.190 nan 0.000 0.449 92 L N 0.091 121.324 121.223 0.016 0.000 1.989 92 L HA -0.206 4.247 4.340 0.187 0.000 0.211 92 L C 2.666 179.543 176.870 0.011 0.000 1.071 92 L CA 1.961 56.809 54.840 0.014 0.000 0.749 92 L CB -0.615 41.451 42.059 0.012 0.000 0.890 92 L HN 0.360 nan 8.230 nan 0.000 0.431 93 A N 0.096 122.922 122.820 0.011 0.000 1.884 93 A HA -0.306 4.127 4.320 0.187 0.000 0.219 93 A C 2.243 179.830 177.584 0.005 0.000 1.197 93 A CA 2.364 54.406 52.037 0.009 0.000 0.637 93 A CB -0.563 18.444 19.000 0.011 0.000 0.827 93 A HN 0.484 nan 8.150 nan 0.000 0.450 94 K N -0.855 119.550 120.400 0.008 0.000 2.057 94 K HA -0.129 4.303 4.320 0.187 0.000 0.207 94 K C 2.038 178.636 176.600 -0.002 0.000 1.049 94 K CA 1.262 57.553 56.287 0.006 0.000 0.931 94 K CB -0.182 32.326 32.500 0.013 0.000 0.714 94 K HN 0.383 nan 8.250 nan 0.000 0.440 95 E N 1.209 121.412 120.200 0.004 0.000 2.070 95 E HA -0.181 4.281 4.350 0.187 0.000 0.197 95 E C 2.045 178.622 176.600 -0.038 0.000 1.004 95 E CA 1.115 57.510 56.400 -0.010 0.000 0.805 95 E CB -0.276 29.438 29.700 0.023 0.000 0.744 95 E HN 0.314 nan 8.360 nan 0.000 0.451 96 L N 0.864 122.075 121.223 -0.020 0.000 2.265 96 L HA -0.166 4.286 4.340 0.187 0.000 0.215 96 L C 2.101 178.959 176.870 -0.020 0.000 1.117 96 L CA 0.847 55.673 54.840 -0.022 0.000 0.782 96 L CB -0.415 41.636 42.059 -0.013 0.000 0.914 96 L HN 0.126 nan 8.230 nan 0.000 0.441 97 E N 0.009 120.198 120.200 -0.017 0.000 2.393 97 E HA -0.218 4.244 4.350 0.187 0.000 0.201 97 E C 0.809 177.402 176.600 -0.011 0.000 1.025 97 E CA 0.826 57.221 56.400 -0.009 0.000 0.856 97 E CB -0.034 29.661 29.700 -0.008 0.000 0.771 97 E HN 0.531 nan 8.360 nan 0.000 0.526 98 D N -0.240 120.138 120.400 -0.035 0.000 2.349 98 D HA 0.001 4.753 4.640 0.187 0.000 0.214 98 D C 1.584 177.882 176.300 -0.003 0.000 1.063 98 D CA 0.088 54.064 54.000 -0.040 0.000 0.847 98 D CB 0.608 41.334 40.800 -0.123 0.000 0.933 98 D HN 0.007 nan 8.370 nan 0.000 0.513 99 V N 1.710 121.634 119.914 0.016 0.000 2.527 99 V HA -0.253 3.980 4.120 0.187 0.000 0.255 99 V C 1.728 177.927 176.094 0.175 0.000 1.081 99 V CA 1.413 63.749 62.300 0.061 0.000 1.092 99 V CB -0.351 31.490 31.823 0.031 0.000 0.673 99 V HN 0.271 nan 8.190 nan 0.000 0.470 100 N N -0.360 118.430 118.700 0.151 0.000 2.336 100 N HA 0.063 4.915 4.740 0.187 0.000 0.189 100 N C 0.419 175.991 175.510 0.103 0.000 1.113 100 N CA 0.290 53.424 53.050 0.139 0.000 0.858 100 N CB 0.264 38.812 38.487 0.101 0.000 0.970 100 N HN 0.559 nan 8.380 nan 0.000 0.471 101 K N 0.123 120.579 120.400 0.094 0.000 2.159 101 K HA 0.143 4.575 4.320 0.187 0.000 0.266 101 K C -0.452 176.237 176.600 0.150 0.000 0.975 101 K CA -0.678 55.675 56.287 0.109 0.000 0.865 101 K CB 1.775 34.309 32.500 0.055 0.000 1.087 101 K HN 0.074 nan 8.250 nan 0.000 0.446 102 W N 3.111 124.410 121.300 -0.000 0.000 2.659 102 W HA 0.135 4.908 4.660 0.188 0.000 0.342 102 W C 0.035 176.555 176.519 0.001 0.000 1.287 102 W CA 0.794 58.138 57.345 -0.003 0.000 1.460 102 W CB 0.116 29.567 29.460 -0.016 0.000 1.503 102 W HN 0.982 nan 8.180 nan 0.000 0.483 103 G N 4.714 113.431 108.800 -0.139 0.000 2.240 103 G HA2 -0.204 3.868 3.960 0.187 0.000 0.181 103 G HA3 -0.204 3.868 3.960 0.187 0.000 0.181 103 G C -0.618 174.268 174.900 -0.023 0.000 1.028 103 G CA -0.491 44.578 45.100 -0.053 0.000 0.760 103 G HN 0.493 nan 8.290 nan 0.000 0.508 104 L N 1.684 122.854 121.223 -0.088 0.000 2.529 104 L HA 0.301 4.753 4.340 0.187 0.000 0.287 104 L C 0.862 177.735 176.870 0.005 0.000 1.241 104 L CA 0.384 55.157 54.840 -0.113 0.000 0.857 104 L CB -0.122 41.880 42.059 -0.096 0.000 1.113 104 L HN 0.360 nan 8.230 nan 0.000 0.504 105 H N 4.330 123.392 119.070 -0.013 0.000 2.970 105 H HA 0.058 4.726 4.556 0.186 0.000 0.226 105 H C 1.289 176.599 175.328 -0.030 0.000 1.909 105 H CA -0.087 55.965 56.048 0.007 0.000 1.388 105 H CB 0.339 30.110 29.762 0.016 0.000 1.773 105 H HN 0.652 nan 8.280 nan 0.000 0.559 106 V N 1.432 121.344 119.914 -0.003 0.000 2.380 106 V HA -0.326 3.906 4.120 0.187 0.000 0.251 106 V C 1.544 177.516 176.094 -0.202 0.000 1.063 106 V CA 1.868 64.075 62.300 -0.155 0.000 1.055 106 V CB -0.494 31.173 31.823 -0.259 0.000 0.657 106 V HN 0.534 nan 8.190 nan 0.000 0.455 107 F N 0.539 120.456 119.950 -0.055 0.000 2.171 107 F HA -0.068 4.570 4.527 0.186 0.000 0.300 107 F C 2.588 178.346 175.800 -0.070 0.000 1.090 107 F CA 1.926 59.858 58.000 -0.114 0.000 1.293 107 F CB -0.587 38.292 39.000 -0.201 0.000 1.013 107 F HN 0.087 nan 8.300 nan 0.000 0.486 108 R N 0.225 120.807 120.500 0.137 0.000 2.066 108 R HA -0.102 4.350 4.340 0.187 0.000 0.232 108 R C 2.270 178.599 176.300 0.048 0.000 1.131 108 R CA 1.571 57.718 56.100 0.079 0.000 0.955 108 R CB -0.644 29.715 30.300 0.097 0.000 0.851 108 R HN 0.280 nan 8.270 nan 0.000 0.432 109 I N 0.790 121.381 120.570 0.036 0.000 2.264 109 I HA -0.296 3.986 4.170 0.187 0.000 0.248 109 I C 2.613 178.724 176.117 -0.010 0.000 1.111 109 I CA 1.279 62.582 61.300 0.005 0.000 1.382 109 I CB -0.477 37.512 38.000 -0.018 0.000 1.060 109 I HN 0.223 nan 8.210 nan 0.000 0.418 110 A N 0.587 123.395 122.820 -0.020 0.000 1.908 110 A HA -0.233 4.199 4.320 0.187 0.000 0.218 110 A C 2.222 179.805 177.584 -0.003 0.000 1.181 110 A CA 1.801 53.824 52.037 -0.023 0.000 0.627 110 A CB -0.547 18.439 19.000 -0.025 0.000 0.818 110 A HN 0.468 nan 8.150 nan 0.000 0.445 111 E N -0.168 120.040 120.200 0.013 0.000 2.028 111 E HA -0.120 4.342 4.350 0.187 0.000 0.191 111 E C 2.023 178.625 176.600 0.003 0.000 0.988 111 E CA 1.157 57.562 56.400 0.008 0.000 0.799 111 E CB -0.339 29.368 29.700 0.011 0.000 0.755 111 E HN 0.612 nan 8.360 nan 0.000 0.447 112 L N 1.262 122.489 121.223 0.007 0.000 2.042 112 L HA -0.183 4.269 4.340 0.187 0.000 0.210 112 L C 2.642 179.513 176.870 0.000 0.000 1.076 112 L CA 1.440 56.283 54.840 0.005 0.000 0.749 112 L CB -0.591 41.475 42.059 0.011 0.000 0.893 112 L HN 0.188 nan 8.230 nan 0.000 0.432 113 S N -0.487 115.211 115.700 -0.004 0.000 2.561 113 S HA 0.098 4.680 4.470 0.187 0.000 0.225 113 S C 1.426 176.019 174.600 -0.012 0.000 0.977 113 S CA 0.335 58.530 58.200 -0.009 0.000 0.926 113 S CB 0.015 63.206 63.200 -0.015 0.000 0.769 113 S HN 0.575 nan 8.310 nan 0.000 0.533 114 G N 1.745 110.539 108.800 -0.010 0.000 2.212 114 G HA2 -0.288 3.784 3.960 0.187 0.000 0.255 114 G HA3 -0.288 3.784 3.960 0.187 0.000 0.255 114 G C 0.159 175.051 174.900 -0.014 0.000 1.062 114 G CA 0.034 45.127 45.100 -0.011 0.000 0.815 114 G HN 1.037 nan 8.290 nan 0.000 0.497 115 N N -1.257 117.434 118.700 -0.015 0.000 2.783 115 N HA -0.178 4.674 4.740 0.187 0.000 0.247 115 N C 0.683 176.176 175.510 -0.029 0.000 1.089 115 N CA 1.581 54.620 53.050 -0.018 0.000 0.690 115 N CB -0.600 37.880 38.487 -0.011 0.000 0.991 115 N HN 0.741 nan 8.380 nan 0.000 0.552 116 R N -0.344 120.135 120.500 -0.035 0.000 2.734 116 R HA 0.197 4.649 4.340 0.187 0.000 0.395 116 R C -1.773 174.494 176.300 -0.055 0.000 1.096 116 R CA -0.725 55.348 56.100 -0.045 0.000 1.071 116 R CB 0.832 31.109 30.300 -0.038 0.000 1.348 116 R HN 0.331 nan 8.270 nan 0.000 0.600 117 P HA -0.182 nan 4.420 nan 0.000 0.215 117 P C 1.396 178.637 177.300 -0.098 0.000 1.153 117 P CA 0.787 63.836 63.100 -0.084 0.000 0.853 117 P CB 0.364 31.998 31.700 -0.109 0.000 0.788 118 L N 0.031 121.178 121.223 -0.126 0.000 2.046 118 L HA -0.080 4.372 4.340 0.187 0.000 0.208 118 L C 2.297 179.110 176.870 -0.094 0.000 1.077 118 L CA 2.258 57.015 54.840 -0.139 0.000 0.747 118 L CB -1.715 40.228 42.059 -0.193 0.000 0.896 118 L HN -0.072 nan 8.230 nan 0.000 0.432 119 T N -0.831 113.675 114.554 -0.080 0.000 2.777 119 T HA -0.134 4.328 4.350 0.187 0.000 0.266 119 T C 1.918 176.605 174.700 -0.021 0.000 1.040 119 T CA 1.822 63.882 62.100 -0.067 0.000 1.141 119 T CB -0.475 68.349 68.868 -0.074 0.000 0.868 119 T HN 0.389 nan 8.240 nan 0.000 0.444 120 V N 0.133 120.041 119.914 -0.010 0.000 2.379 120 V HA -0.002 4.231 4.120 0.187 0.000 0.245 120 V C 2.283 178.396 176.094 0.032 0.000 1.044 120 V CA 1.158 63.481 62.300 0.038 0.000 1.036 120 V CB -1.047 30.786 31.823 0.017 0.000 0.664 120 V HN 0.422 nan 8.190 nan 0.000 0.453 121 I N -0.566 119.994 120.570 -0.016 0.000 2.179 121 I HA -0.188 4.094 4.170 0.187 0.000 0.242 121 I C 2.942 179.047 176.117 -0.020 0.000 1.088 121 I CA 1.988 63.266 61.300 -0.037 0.000 1.357 121 I CB -0.347 37.613 38.000 -0.066 0.000 1.051 121 I HN 0.258 nan 8.210 nan 0.000 0.409 122 M N -0.208 119.387 119.600 -0.008 0.000 2.080 122 M HA -0.271 4.322 4.480 0.187 0.000 0.260 122 M C 2.499 178.836 176.300 0.062 0.000 1.068 122 M CA 1.924 57.240 55.300 0.026 0.000 1.109 122 M CB -1.479 31.087 32.600 -0.058 0.000 1.342 122 M HN 0.310 nan 8.290 nan 0.000 0.405 123 H N 0.201 119.226 119.070 -0.075 0.000 2.387 123 H HA -0.082 4.586 4.556 0.187 0.000 0.299 123 H C 1.707 177.062 175.328 0.044 0.000 1.090 123 H CA 2.354 58.375 56.048 -0.044 0.000 1.332 123 H CB -0.177 29.554 29.762 -0.052 0.000 1.386 123 H HN 0.276 nan 8.280 nan 0.000 0.516 124 T N 0.637 115.137 114.554 -0.091 0.000 2.770 124 T HA -0.044 4.419 4.350 0.187 0.000 0.263 124 T C 2.279 176.927 174.700 -0.088 0.000 1.039 124 T CA 1.386 63.398 62.100 -0.147 0.000 1.142 124 T CB -0.181 68.635 68.868 -0.085 0.000 0.868 124 T HN 0.300 nan 8.240 nan 0.000 0.435 125 I N 0.148 120.680 120.570 -0.063 0.000 2.286 125 I HA -0.138 4.144 4.170 0.187 0.000 0.248 125 I C 2.009 178.164 176.117 0.063 0.000 1.115 125 I CA 1.336 62.556 61.300 -0.134 0.000 1.392 125 I CB -0.379 37.482 38.000 -0.232 0.000 1.065 125 I HN 0.153 nan 8.210 nan 0.000 0.418 126 F N 1.000 120.919 119.950 -0.053 0.000 2.163 126 F HA -0.173 4.466 4.527 0.188 0.000 0.297 126 F C 2.758 178.556 175.800 -0.005 0.000 1.094 126 F CA 1.234 59.248 58.000 0.023 0.000 1.290 126 F CB -0.608 38.442 39.000 0.083 0.000 1.017 126 F HN 0.040 nan 8.300 nan 0.000 0.483 127 Q N 0.157 120.014 119.800 0.096 0.000 2.050 127 Q HA -0.236 4.217 4.340 0.187 0.000 0.202 127 Q C 2.219 178.223 176.000 0.006 0.000 0.980 127 Q CA 1.722 57.524 55.803 -0.001 0.000 0.840 127 Q CB -0.683 27.965 28.738 -0.150 0.000 0.898 127 Q HN 0.433 nan 8.270 nan 0.000 0.424 128 E N 0.921 121.119 120.200 -0.003 0.000 2.070 128 E HA -0.172 4.290 4.350 0.187 0.000 0.197 128 E C 1.498 178.122 176.600 0.039 0.000 1.004 128 E CA 1.347 57.759 56.400 0.020 0.000 0.805 128 E CB 0.016 29.734 29.700 0.030 0.000 0.744 128 E HN 0.166 nan 8.360 nan 0.000 0.451 129 R N 0.099 120.621 120.500 0.037 0.000 2.319 129 R HA 0.024 4.476 4.340 0.187 0.000 0.204 129 R C 0.073 176.373 176.300 0.001 0.000 0.954 129 R CA 0.656 56.773 56.100 0.029 0.000 1.066 129 R CB -0.043 30.268 30.300 0.018 0.000 0.991 129 R HN 0.203 nan 8.270 nan 0.000 0.486 130 D N 0.049 120.456 120.400 0.011 0.000 2.811 130 D HA -0.196 4.556 4.640 0.187 0.000 0.231 130 D C 0.467 176.767 176.300 0.001 0.000 1.157 130 D CA 0.444 54.450 54.000 0.010 0.000 0.716 130 D CB -0.879 39.916 40.800 -0.007 0.000 1.077 130 D HN 0.278 nan 8.370 nan 0.000 0.428 131 L N -0.752 120.477 121.223 0.010 0.000 2.201 131 L HA -0.111 4.341 4.340 0.187 0.000 0.212 131 L C 2.260 179.241 176.870 0.185 0.000 1.105 131 L CA 0.536 55.398 54.840 0.038 0.000 0.775 131 L CB -0.230 41.693 42.059 -0.228 0.000 0.913 131 L HN 0.237 nan 8.230 nan 0.000 0.440 132 L N -0.300 121.051 121.223 0.214 0.000 2.056 132 L HA -0.196 4.256 4.340 0.187 0.000 0.207 132 L C 2.474 179.427 176.870 0.138 0.000 1.078 132 L CA 1.731 56.708 54.840 0.229 0.000 0.749 132 L CB -0.495 41.691 42.059 0.212 0.000 0.901 132 L HN 0.101 nan 8.230 nan 0.000 0.433 133 K N -1.223 119.220 120.400 0.072 0.000 2.076 133 K HA -0.032 4.400 4.320 0.187 0.000 0.204 133 K C 2.083 178.664 176.600 -0.031 0.000 1.051 133 K CA 1.439 57.742 56.287 0.026 0.000 0.949 133 K CB -0.335 32.170 32.500 0.008 0.000 0.726 133 K HN 0.203 nan 8.250 nan 0.000 0.443 134 T N 0.834 115.322 114.554 -0.110 0.000 2.684 134 T HA -0.123 4.339 4.350 0.187 0.000 0.267 134 T C 0.972 175.418 174.700 -0.423 0.000 1.036 134 T CA 1.371 63.274 62.100 -0.328 0.000 1.148 134 T CB -0.164 68.388 68.868 -0.527 0.000 0.863 134 T HN 0.071 nan 8.240 nan 0.000 0.436 135 F N 1.003 120.983 119.950 0.050 0.000 2.647 135 F HA 0.399 5.040 4.527 0.189 0.000 0.300 135 F C 0.659 176.504 175.800 0.075 0.000 1.106 135 F CA -0.852 57.188 58.000 0.067 0.000 1.313 135 F CB -0.407 38.651 39.000 0.097 0.000 1.007 135 F HN -0.059 nan 8.300 nan 0.000 0.536 136 K N 1.252 121.751 120.400 0.165 0.000 3.451 136 K HA -0.210 4.222 4.320 0.187 0.000 0.273 136 K C -0.506 176.178 176.600 0.141 0.000 0.944 136 K CA 0.375 56.737 56.287 0.125 0.000 0.734 136 K CB -1.734 30.825 32.500 0.097 0.000 1.437 136 K HN 0.347 nan 8.250 nan 0.000 0.454 137 I N 2.404 123.073 120.570 0.165 0.000 2.291 137 I HA 0.167 4.449 4.170 0.187 0.000 0.290 137 I C -1.599 174.577 176.117 0.099 0.000 1.050 137 I CA -2.384 58.999 61.300 0.138 0.000 1.245 137 I CB 0.678 38.798 38.000 0.200 0.000 1.405 137 I HN -0.016 nan 8.210 nan 0.000 0.478 138 P HA -0.071 nan 4.420 nan 0.000 0.264 138 P C 0.959 178.283 177.300 0.040 0.000 1.193 138 P CA 0.228 63.356 63.100 0.045 0.000 0.763 138 P CB 1.532 33.248 31.700 0.027 0.000 0.810 139 V N 3.516 123.459 119.914 0.048 0.000 2.324 139 V HA -0.281 3.952 4.120 0.187 0.000 0.250 139 V C 2.027 178.113 176.094 -0.013 0.000 1.060 139 V CA 2.838 65.162 62.300 0.040 0.000 1.042 139 V CB -0.899 30.957 31.823 0.055 0.000 0.650 139 V HN 0.648 nan 8.190 nan 0.000 0.450 140 D N -1.467 118.926 120.400 -0.011 0.000 2.144 140 D HA -0.174 4.578 4.640 0.187 0.000 0.199 140 D C 1.978 178.263 176.300 -0.024 0.000 0.984 140 D CA 1.964 55.949 54.000 -0.025 0.000 0.834 140 D CB -1.041 39.752 40.800 -0.012 0.000 0.955 140 D HN 0.487 nan 8.370 nan 0.000 0.465 141 T N 1.030 115.577 114.554 -0.013 0.000 2.708 141 T HA -0.108 4.354 4.350 0.187 0.000 0.266 141 T C 1.913 176.602 174.700 -0.018 0.000 1.037 141 T CA 1.118 63.210 62.100 -0.014 0.000 1.146 141 T CB -0.416 68.438 68.868 -0.023 0.000 0.865 141 T HN 0.100 nan 8.240 nan 0.000 0.435 142 L N 1.187 122.389 121.223 -0.035 0.000 1.989 142 L HA 0.017 4.469 4.340 0.187 0.000 0.211 142 L C 2.187 179.019 176.870 -0.064 0.000 1.071 142 L CA 1.627 56.429 54.840 -0.064 0.000 0.749 142 L CB -0.678 41.338 42.059 -0.072 0.000 0.890 142 L HN 0.261 nan 8.230 nan 0.000 0.431 143 I N -0.961 119.547 120.570 -0.104 0.000 2.286 143 I HA -0.289 3.993 4.170 0.187 0.000 0.248 143 I C 2.171 178.241 176.117 -0.078 0.000 1.115 143 I CA 1.618 62.835 61.300 -0.137 0.000 1.392 143 I CB -0.676 37.211 38.000 -0.190 0.000 1.065 143 I HN 0.325 nan 8.210 nan 0.000 0.418 144 T N -0.156 114.375 114.554 -0.037 0.000 2.777 144 T HA -0.233 4.230 4.350 0.187 0.000 0.266 144 T C 1.764 176.467 174.700 0.005 0.000 1.040 144 T CA 1.400 63.492 62.100 -0.014 0.000 1.141 144 T CB -0.397 68.475 68.868 0.005 0.000 0.868 144 T HN 0.357 nan 8.240 nan 0.000 0.444 145 Y N 1.731 121.984 120.300 -0.078 0.000 2.163 145 Y HA 0.008 4.671 4.550 0.189 0.000 0.288 145 Y C 1.978 177.843 175.900 -0.058 0.000 1.136 145 Y CA 0.948 59.006 58.100 -0.070 0.000 1.147 145 Y CB -0.537 37.861 38.460 -0.103 0.000 0.987 145 Y HN 0.099 nan 8.280 nan 0.000 0.509 146 L N -0.521 120.630 121.223 -0.120 0.000 2.012 146 L HA -0.309 4.143 4.340 0.187 0.000 0.210 146 L C 2.565 179.322 176.870 -0.188 0.000 1.073 146 L CA 1.940 56.668 54.840 -0.186 0.000 0.748 146 L CB -0.594 41.395 42.059 -0.117 0.000 0.891 146 L HN 0.320 nan 8.230 nan 0.000 0.431 147 M N -1.058 118.464 119.600 -0.130 0.000 2.117 147 M HA -0.185 4.407 4.480 0.187 0.000 0.262 147 M C 2.297 178.550 176.300 -0.079 0.000 1.065 147 M CA 1.957 57.204 55.300 -0.088 0.000 1.114 147 M CB -0.640 31.921 32.600 -0.064 0.000 1.361 147 M HN 0.251 nan 8.290 nan 0.000 0.408 148 T N 1.179 115.664 114.554 -0.114 0.000 2.708 148 T HA -0.149 4.313 4.350 0.187 0.000 0.266 148 T C 1.687 176.352 174.700 -0.059 0.000 1.037 148 T CA 1.327 63.390 62.100 -0.061 0.000 1.146 148 T CB -0.371 68.435 68.868 -0.103 0.000 0.865 148 T HN 0.253 nan 8.240 nan 0.000 0.435 149 L N 1.386 122.399 121.223 -0.350 0.000 1.994 149 L HA -0.052 4.400 4.340 0.187 0.000 0.208 149 L C 2.461 179.352 176.870 0.035 0.000 1.071 149 L CA 2.054 56.714 54.840 -0.301 0.000 0.745 149 L CB -0.715 41.018 42.059 -0.542 0.000 0.892 149 L HN 0.276 nan 8.230 nan 0.000 0.431 150 E N -0.750 119.462 120.200 0.019 0.000 2.085 150 E HA -0.274 4.189 4.350 0.187 0.000 0.194 150 E C 1.732 178.423 176.600 0.151 0.000 0.994 150 E CA 1.604 58.071 56.400 0.113 0.000 0.801 150 E CB -0.112 29.581 29.700 -0.012 0.000 0.743 150 E HN 0.546 nan 8.360 nan 0.000 0.453 151 D N -0.508 119.937 120.400 0.076 0.000 2.221 151 D HA -0.145 4.608 4.640 0.187 0.000 0.204 151 D C 1.026 177.293 176.300 -0.054 0.000 0.982 151 D CA 1.035 55.042 54.000 0.011 0.000 0.857 151 D CB -0.208 40.577 40.800 -0.026 0.000 0.934 151 D HN 0.383 nan 8.370 nan 0.000 0.475 152 H N -1.810 117.268 119.070 0.013 0.000 2.533 152 H HA 0.142 4.793 4.556 0.159 0.000 0.271 152 H C -0.390 174.949 175.328 0.019 0.000 1.000 152 H CA 0.014 56.057 56.048 -0.008 0.000 1.149 152 H CB -0.170 29.543 29.762 -0.083 0.000 1.375 152 H HN 0.120 nan 8.280 nan 0.000 0.582 153 Y N 0.510 120.899 120.300 0.149 0.000 2.323 153 Y HA 0.157 4.837 4.550 0.216 0.000 0.331 153 Y C 0.479 176.526 175.900 0.244 0.000 1.092 153 Y CA -0.648 57.559 58.100 0.177 0.000 1.150 153 Y CB 0.663 39.160 38.460 0.062 0.000 1.200 153 Y HN 0.246 nan 8.280 nan 0.000 0.472 154 H N 2.715 121.896 119.070 0.186 0.000 2.878 154 H HA 0.171 4.778 4.556 0.085 0.000 0.290 154 H C 0.506 175.900 175.328 0.111 0.000 1.065 154 H CA -0.011 56.110 56.048 0.122 0.000 1.477 154 H CB 1.226 31.062 29.762 0.123 0.000 1.484 154 H HN 0.968 nan 8.280 nan 0.000 0.504 155 A N 3.578 126.494 122.820 0.160 0.000 2.067 155 A HA -0.173 4.260 4.320 0.187 0.000 0.219 155 A C 1.799 179.442 177.584 0.098 0.000 1.158 155 A CA 1.396 53.494 52.037 0.101 0.000 0.661 155 A CB -0.097 18.931 19.000 0.047 0.000 0.801 155 A HN 0.842 nan 8.150 nan 0.000 0.452 156 D N -0.765 119.707 120.400 0.119 0.000 2.339 156 D HA 0.064 4.816 4.640 0.187 0.000 0.217 156 D C 0.105 176.482 176.300 0.127 0.000 1.050 156 D CA 0.088 54.150 54.000 0.103 0.000 0.856 156 D CB -0.217 40.635 40.800 0.086 0.000 0.922 156 D HN 0.148 nan 8.370 nan 0.000 0.518 157 V N 1.501 121.516 119.914 0.168 0.000 2.432 157 V HA 0.339 4.571 4.120 0.187 0.000 0.275 157 V C 1.567 177.735 176.094 0.123 0.000 1.043 157 V CA -0.119 62.276 62.300 0.159 0.000 0.925 157 V CB 1.154 33.092 31.823 0.192 0.000 0.985 157 V HN 0.202 nan 8.190 nan 0.000 0.466 158 A N 4.365 127.250 122.820 0.110 0.000 1.877 158 A HA -0.181 4.251 4.320 0.187 0.000 0.216 158 A C 1.829 179.482 177.584 0.115 0.000 1.186 158 A CA 2.023 54.116 52.037 0.094 0.000 0.620 158 A CB -0.434 18.612 19.000 0.076 0.000 0.822 158 A HN 0.922 nan 8.150 nan 0.000 0.443 159 Y N -0.781 119.493 120.300 -0.043 0.000 2.333 159 Y HA 0.181 4.841 4.550 0.183 0.000 0.287 159 Y C 0.907 176.672 175.900 -0.225 0.000 1.149 159 Y CA 0.716 58.732 58.100 -0.141 0.000 1.193 159 Y CB -0.016 38.216 38.460 -0.381 0.000 1.175 159 Y HN 0.385 nan 8.280 nan 0.000 0.518 160 H N 2.058 121.103 119.070 -0.043 0.000 3.563 160 H HA 0.150 4.820 4.556 0.191 0.000 0.219 160 H C -0.669 174.665 175.328 0.011 0.000 1.771 160 H CA 0.043 55.979 56.048 -0.186 0.000 1.458 160 H CB -1.034 28.376 29.762 -0.587 0.000 1.796 160 H HN 0.428 nan 8.280 nan 0.000 0.652 161 N N -0.771 117.976 118.700 0.078 0.000 3.100 161 N HA 0.038 4.890 4.740 0.187 0.000 0.344 161 N C 1.056 176.482 175.510 -0.141 0.000 1.413 161 N CA -0.914 52.214 53.050 0.131 0.000 0.752 161 N CB 0.338 38.879 38.487 0.090 0.000 1.519 161 N HN 0.124 nan 8.380 nan 0.000 0.620 162 N N 0.059 118.638 118.700 -0.201 0.000 2.364 162 N HA -0.114 4.738 4.740 0.187 0.000 0.183 162 N C 1.107 176.406 175.510 -0.352 0.000 1.022 162 N CA 1.088 53.849 53.050 -0.482 0.000 0.883 162 N CB -0.409 37.950 38.487 -0.213 0.000 0.965 162 N HN 0.653 nan 8.380 nan 0.000 0.438 163 I N 0.476 120.938 120.570 -0.180 0.000 2.286 163 I HA -0.201 4.081 4.170 0.187 0.000 0.245 163 I C 2.616 178.673 176.117 -0.101 0.000 1.104 163 I CA 1.224 62.451 61.300 -0.122 0.000 1.397 163 I CB -0.559 37.407 38.000 -0.056 0.000 1.072 163 I HN 0.167 nan 8.210 nan 0.000 0.417 164 H N 1.735 120.658 119.070 -0.246 0.000 2.352 164 H HA -0.130 4.536 4.556 0.183 0.000 0.299 164 H C 2.111 177.218 175.328 -0.368 0.000 1.097 164 H CA 1.748 57.500 56.048 -0.494 0.000 1.311 164 H CB -0.046 29.308 29.762 -0.680 0.000 1.377 164 H HN 0.274 nan 8.280 nan 0.000 0.504 165 A N 1.050 123.550 122.820 -0.534 0.000 1.877 165 A HA -0.047 4.385 4.320 0.187 0.000 0.216 165 A C 2.694 180.043 177.584 -0.392 0.000 1.186 165 A CA 1.911 53.623 52.037 -0.542 0.000 0.620 165 A CB -1.475 16.990 19.000 -0.892 0.000 0.822 165 A HN 0.642 nan 8.150 nan 0.000 0.443 166 A N -0.210 122.402 122.820 -0.346 0.000 1.940 166 A HA -0.219 4.213 4.320 0.187 0.000 0.219 166 A C 1.826 179.270 177.584 -0.233 0.000 1.176 166 A CA 2.284 54.177 52.037 -0.240 0.000 0.631 166 A CB -0.724 18.155 19.000 -0.202 0.000 0.814 166 A HN 0.581 nan 8.150 nan 0.000 0.446 167 D N -0.635 119.592 120.400 -0.288 0.000 2.097 167 D HA -0.110 4.642 4.640 0.187 0.000 0.197 167 D C 1.756 177.851 176.300 -0.342 0.000 0.984 167 D CA 1.547 55.363 54.000 -0.307 0.000 0.826 167 D CB -0.056 40.511 40.800 -0.389 0.000 0.973 167 D HN 0.146 nan 8.370 nan 0.000 0.460 168 V N -0.201 119.464 119.914 -0.415 0.000 2.515 168 V HA -0.161 4.071 4.120 0.187 0.000 0.250 168 V C 2.526 178.484 176.094 -0.227 0.000 1.058 168 V CA 0.949 63.032 62.300 -0.363 0.000 1.064 168 V CB -0.214 31.310 31.823 -0.497 0.000 0.675 168 V HN 0.147 nan 8.190 nan 0.000 0.461 169 V N -0.300 119.504 119.914 -0.184 0.000 2.237 169 V HA -0.287 3.945 4.120 0.187 0.000 0.245 169 V C 2.560 178.640 176.094 -0.022 0.000 1.046 169 V CA 2.289 64.541 62.300 -0.081 0.000 1.007 169 V CB -0.625 31.159 31.823 -0.066 0.000 0.638 169 V HN 0.529 nan 8.190 nan 0.000 0.445 170 Q N -0.162 119.604 119.800 -0.057 0.000 2.135 170 Q HA -0.196 4.256 4.340 0.187 0.000 0.204 170 Q C 2.363 178.389 176.000 0.042 0.000 0.981 170 Q CA 2.278 58.083 55.803 0.004 0.000 0.856 170 Q CB -0.178 28.520 28.738 -0.067 0.000 0.902 170 Q HN 0.658 nan 8.270 nan 0.000 0.425 171 S N -0.291 115.361 115.700 -0.080 0.000 2.371 171 S HA -0.073 4.509 4.470 0.187 0.000 0.224 171 S C 1.943 176.621 174.600 0.131 0.000 1.029 171 S CA 1.456 59.620 58.200 -0.060 0.000 0.978 171 S CB -0.263 62.789 63.200 -0.247 0.000 0.833 171 S HN 0.445 nan 8.310 nan 0.000 0.466 172 T N 0.698 115.281 114.554 0.048 0.000 2.833 172 T HA -0.132 4.330 4.350 0.187 0.000 0.269 172 T C 1.697 176.469 174.700 0.120 0.000 1.054 172 T CA 1.614 63.741 62.100 0.045 0.000 1.135 172 T CB -0.395 68.462 68.868 -0.019 0.000 0.869 172 T HN 0.569 nan 8.240 nan 0.000 0.466 173 H N 0.822 119.923 119.070 0.052 0.000 2.387 173 H HA 0.006 4.674 4.556 0.187 0.000 0.299 173 H C 1.894 177.292 175.328 0.116 0.000 1.090 173 H CA 1.239 57.331 56.048 0.072 0.000 1.332 173 H CB -0.436 29.360 29.762 0.055 0.000 1.386 173 H HN 0.160 nan 8.280 nan 0.000 0.516 174 V N 0.325 120.262 119.914 0.038 0.000 2.407 174 V HA -0.143 4.090 4.120 0.187 0.000 0.245 174 V C 2.609 178.781 176.094 0.130 0.000 1.041 174 V CA 1.376 63.710 62.300 0.056 0.000 1.040 174 V CB -0.475 31.541 31.823 0.322 0.000 0.671 174 V HN 0.387 nan 8.190 nan 0.000 0.455 175 L N -0.563 120.790 121.223 0.216 0.000 2.265 175 L HA -0.156 4.296 4.340 0.187 0.000 0.215 175 L C 2.263 179.277 176.870 0.241 0.000 1.117 175 L CA 1.254 56.237 54.840 0.238 0.000 0.782 175 L CB -0.411 41.730 42.059 0.137 0.000 0.914 175 L HN 0.330 nan 8.230 nan 0.000 0.441 176 L N -1.389 119.924 121.223 0.149 0.000 2.179 176 L HA -0.075 4.377 4.340 0.187 0.000 0.208 176 L C 2.079 179.026 176.870 0.128 0.000 1.096 176 L CA 0.655 55.593 54.840 0.164 0.000 0.779 176 L CB -0.160 41.969 42.059 0.117 0.000 0.922 176 L HN 0.087 nan 8.230 nan 0.000 0.443 177 S N -1.194 114.529 115.700 0.039 0.000 2.754 177 S HA -0.027 4.556 4.470 0.187 0.000 0.223 177 S C 0.839 175.464 174.600 0.042 0.000 0.951 177 S CA 0.066 58.274 58.200 0.013 0.000 0.954 177 S CB -0.379 62.778 63.200 -0.072 0.000 0.780 177 S HN 0.277 nan 8.310 nan 0.000 0.509 178 T N 3.471 118.079 114.554 0.090 0.000 2.784 178 T HA 0.130 4.592 4.350 0.187 0.000 0.291 178 T C -1.632 173.087 174.700 0.032 0.000 0.942 178 T CA -1.702 60.445 62.100 0.078 0.000 1.161 178 T CB 0.543 69.497 68.868 0.143 0.000 0.885 178 T HN 0.016 nan 8.240 nan 0.000 0.534 179 P HA -0.227 nan 4.420 nan 0.000 0.222 179 P C 0.982 178.265 177.300 -0.029 0.000 1.155 179 P CA 1.492 64.586 63.100 -0.009 0.000 0.890 179 P CB 0.044 31.737 31.700 -0.011 0.000 0.790 180 A N -2.129 120.663 122.820 -0.046 0.000 2.255 180 A HA 0.006 4.438 4.320 0.187 0.000 0.206 180 A C 1.545 179.070 177.584 -0.098 0.000 1.193 180 A CA 0.909 52.897 52.037 -0.083 0.000 0.794 180 A CB -1.086 17.840 19.000 -0.122 0.000 0.794 180 A HN 0.223 nan 8.150 nan 0.000 0.481 181 L N -1.366 119.821 121.223 -0.059 0.000 3.386 181 L HA 0.197 4.650 4.340 0.187 0.000 0.307 181 L C 0.371 177.207 176.870 -0.057 0.000 1.235 181 L CA -0.281 54.516 54.840 -0.073 0.000 1.056 181 L CB 0.362 42.444 42.059 0.038 0.000 1.453 181 L HN 0.340 nan 8.230 nan 0.000 0.615 182 E N 1.643 121.821 120.200 -0.038 0.000 2.558 182 E HA 0.072 4.534 4.350 0.187 0.000 0.255 182 E C 1.160 177.733 176.600 -0.045 0.000 0.968 182 E CA 0.814 57.200 56.400 -0.023 0.000 0.939 182 E CB 0.504 30.191 29.700 -0.022 0.000 0.921 182 E HN 0.326 nan 8.360 nan 0.000 0.477 183 A N 2.811 125.618 122.820 -0.022 0.000 2.816 183 A HA -0.236 4.196 4.320 0.187 0.000 0.270 183 A C 1.015 178.551 177.584 -0.080 0.000 1.413 183 A CA 1.050 53.069 52.037 -0.030 0.000 0.866 183 A CB -2.030 16.952 19.000 -0.030 0.000 1.032 183 A HN 0.450 nan 8.150 nan 0.000 0.642 184 V N -1.903 117.917 119.914 -0.157 0.000 2.379 184 V HA 0.126 4.358 4.120 0.187 0.000 0.243 184 V C 1.212 177.084 176.094 -0.371 0.000 1.035 184 V CA 1.674 63.762 62.300 -0.353 0.000 1.035 184 V CB -0.371 31.068 31.823 -0.641 0.000 0.673 184 V HN 0.527 nan 8.190 nan 0.000 0.457 185 F N 1.026 120.988 119.950 0.020 0.000 2.397 185 F HA 0.472 5.112 4.527 0.189 0.000 0.331 185 F C 1.050 176.873 175.800 0.039 0.000 1.090 185 F CA -1.018 57.000 58.000 0.031 0.000 1.065 185 F CB 0.658 39.682 39.000 0.040 0.000 1.184 185 F HN 0.006 nan 8.300 nan 0.000 0.499 186 T N -2.115 112.597 114.554 0.265 0.000 2.828 186 T HA 0.098 4.560 4.350 0.187 0.000 0.290 186 T C 0.840 175.652 174.700 0.187 0.000 1.019 186 T CA -0.721 61.483 62.100 0.175 0.000 1.031 186 T CB 0.726 69.689 68.868 0.157 0.000 1.001 186 T HN 0.533 nan 8.240 nan 0.000 0.531 187 D N -0.013 120.487 120.400 0.166 0.000 2.182 187 D HA -0.087 4.666 4.640 0.187 0.000 0.201 187 D C 1.867 178.403 176.300 0.393 0.000 0.986 187 D CA 0.742 54.872 54.000 0.215 0.000 0.847 187 D CB -0.102 40.731 40.800 0.055 0.000 0.942 187 D HN 0.392 nan 8.370 nan 0.000 0.467 188 L N 1.370 122.830 121.223 0.394 0.000 2.056 188 L HA -0.122 4.330 4.340 0.187 0.000 0.207 188 L C 1.998 178.899 176.870 0.052 0.000 1.078 188 L CA 1.650 56.611 54.840 0.202 0.000 0.749 188 L CB -0.290 41.859 42.059 0.149 0.000 0.901 188 L HN -0.093 nan 8.230 nan 0.000 0.433 189 E N -0.532 119.723 120.200 0.092 0.000 2.106 189 E HA -0.203 4.259 4.350 0.187 0.000 0.192 189 E C 2.270 178.846 176.600 -0.040 0.000 0.984 189 E CA 1.458 57.868 56.400 0.017 0.000 0.806 189 E CB -0.157 29.584 29.700 0.068 0.000 0.750 189 E HN 0.541 nan 8.360 nan 0.000 0.458 190 I N 0.719 121.312 120.570 0.039 0.000 2.202 190 I HA -0.240 4.042 4.170 0.187 0.000 0.242 190 I C 2.432 178.562 176.117 0.021 0.000 1.091 190 I CA 0.502 61.823 61.300 0.034 0.000 1.368 190 I CB -0.129 37.930 38.000 0.098 0.000 1.058 190 I HN 0.145 nan 8.210 nan 0.000 0.410 191 L N 1.320 122.558 121.223 0.024 0.000 2.042 191 L HA -0.194 4.258 4.340 0.187 0.000 0.210 191 L C 2.551 179.446 176.870 0.041 0.000 1.076 191 L CA 2.214 57.035 54.840 -0.031 0.000 0.749 191 L CB -0.809 41.131 42.059 -0.198 0.000 0.893 191 L HN 0.198 nan 8.230 nan 0.000 0.432 192 A N -0.503 122.313 122.820 -0.007 0.000 1.877 192 A HA -0.119 4.314 4.320 0.187 0.000 0.216 192 A C 2.464 180.102 177.584 0.090 0.000 1.186 192 A CA 2.015 54.079 52.037 0.045 0.000 0.620 192 A CB -1.248 17.748 19.000 -0.006 0.000 0.822 192 A HN 0.601 nan 8.150 nan 0.000 0.443 193 A N -0.119 122.708 122.820 0.010 0.000 1.877 193 A HA -0.081 4.351 4.320 0.187 0.000 0.216 193 A C 2.152 179.762 177.584 0.043 0.000 1.186 193 A CA 1.573 53.601 52.037 -0.016 0.000 0.620 193 A CB -0.606 18.337 19.000 -0.094 0.000 0.822 193 A HN 0.502 nan 8.150 nan 0.000 0.443 194 I N -2.062 118.565 120.570 0.095 0.000 2.202 194 I HA -0.202 4.080 4.170 0.187 0.000 0.242 194 I C 2.371 178.619 176.117 0.218 0.000 1.091 194 I CA 1.525 62.915 61.300 0.149 0.000 1.368 194 I CB -0.375 37.733 38.000 0.180 0.000 1.058 194 I HN 0.424 nan 8.210 nan 0.000 0.410 195 F N 1.971 122.017 119.950 0.160 0.000 2.102 195 F HA -0.239 4.402 4.527 0.190 0.000 0.298 195 F C 2.501 178.365 175.800 0.107 0.000 1.105 195 F CA 1.420 59.536 58.000 0.194 0.000 1.239 195 F CB -0.428 38.715 39.000 0.239 0.000 0.991 195 F HN 0.005 nan 8.300 nan 0.000 0.474 196 A N -0.566 122.306 122.820 0.086 0.000 1.908 196 A HA -0.204 4.228 4.320 0.187 0.000 0.218 196 A C 2.378 179.927 177.584 -0.058 0.000 1.181 196 A CA 2.197 54.222 52.037 -0.019 0.000 0.627 196 A CB -1.310 17.724 19.000 0.055 0.000 0.818 196 A HN 0.446 nan 8.150 nan 0.000 0.445 197 S N -0.277 115.395 115.700 -0.046 0.000 2.368 197 S HA -0.024 4.558 4.470 0.187 0.000 0.225 197 S C 2.289 176.892 174.600 0.004 0.000 1.030 197 S CA 1.152 59.306 58.200 -0.077 0.000 0.999 197 S CB -0.454 62.685 63.200 -0.101 0.000 0.844 197 S HN 0.814 nan 8.310 nan 0.000 0.459 198 A N 1.696 124.483 122.820 -0.055 0.000 1.972 198 A HA -0.012 4.421 4.320 0.187 0.000 0.219 198 A C 2.064 179.629 177.584 -0.031 0.000 1.169 198 A CA 1.408 53.406 52.037 -0.065 0.000 0.635 198 A CB -0.686 18.275 19.000 -0.066 0.000 0.810 198 A HN 0.692 nan 8.150 nan 0.000 0.446 199 I N -3.509 116.953 120.570 -0.180 0.000 3.783 199 I HA 0.036 4.318 4.170 0.187 0.000 0.310 199 I C 1.998 178.055 176.117 -0.100 0.000 1.274 199 I CA 0.795 61.985 61.300 -0.183 0.000 1.294 199 I CB -0.627 37.102 38.000 -0.452 0.000 1.051 199 I HN 0.480 nan 8.210 nan 0.000 0.435 200 H N 1.259 120.261 119.070 -0.114 0.000 2.496 200 H HA -0.192 4.482 4.556 0.197 0.000 0.296 200 H C 0.103 175.269 175.328 -0.271 0.000 1.107 200 H CA 1.825 57.816 56.048 -0.094 0.000 1.263 200 H CB -0.267 29.467 29.762 -0.047 0.000 1.369 200 H HN 0.436 nan 8.280 nan 0.000 0.541 201 D N 0.782 120.669 120.400 -0.856 0.000 2.582 201 D HA 0.110 4.862 4.640 0.187 0.000 0.246 201 D C -0.134 175.709 176.300 -0.762 0.000 1.334 201 D CA -0.284 53.032 54.000 -1.139 0.000 0.805 201 D CB 0.784 41.283 40.800 -0.502 0.000 1.087 201 D HN 0.129 nan 8.370 nan 0.000 0.499 202 V N 1.575 121.034 119.914 -0.760 0.000 2.694 202 V HA -0.025 4.208 4.120 0.187 0.000 0.306 202 V C 0.680 176.550 176.094 -0.372 0.000 1.054 202 V CA 0.920 62.568 62.300 -1.086 0.000 1.161 202 V CB 0.688 32.100 31.823 -0.685 0.000 0.916 202 V HN 0.387 nan 8.190 nan 0.000 0.490 203 D N 3.178 123.377 120.400 -0.335 0.000 2.907 203 D HA -0.219 4.533 4.640 0.187 0.000 0.226 203 D C 0.082 176.349 176.300 -0.055 0.000 1.141 203 D CA 1.247 55.269 54.000 0.036 0.000 0.779 203 D CB -1.542 39.365 40.800 0.179 0.000 1.095 203 D HN 0.897 nan 8.370 nan 0.000 0.430 204 H N 0.130 119.074 119.070 -0.211 0.000 2.848 204 H HA 0.169 4.844 4.556 0.198 0.000 0.317 204 H C -1.501 173.552 175.328 -0.458 0.000 1.046 204 H CA -0.472 55.508 56.048 -0.113 0.000 1.470 204 H CB 1.336 31.083 29.762 -0.024 0.000 1.483 204 H HN 0.130 nan 8.280 nan 0.000 0.548 205 P HA 0.062 nan 4.420 nan 0.000 0.245 205 P C 0.687 178.044 177.300 0.096 0.000 1.212 205 P CA 1.204 64.249 63.100 -0.091 0.000 0.774 205 P CB 0.540 32.217 31.700 -0.039 0.000 0.999 206 G N -0.322 108.688 108.800 0.351 0.000 2.157 206 G HA2 -0.181 3.892 3.960 0.187 0.000 0.248 206 G HA3 -0.181 3.892 3.960 0.187 0.000 0.248 206 G C 0.078 175.071 174.900 0.156 0.000 0.979 206 G CA 0.138 45.404 45.100 0.276 0.000 0.650 206 G HN 0.545 nan 8.290 nan 0.000 0.529 207 V N -1.687 118.272 119.914 0.075 0.000 3.001 207 V HA 0.952 5.184 4.120 0.187 0.000 0.314 207 V C 0.619 176.716 176.094 0.005 0.000 1.099 207 V CA -0.190 62.056 62.300 -0.090 0.000 0.989 207 V CB 1.507 33.074 31.823 -0.426 0.000 1.040 207 V HN 1.358 nan 8.190 nan 0.000 0.434 208 S N 1.332 117.038 115.700 0.010 0.000 2.624 208 S HA 0.266 4.848 4.470 0.187 0.000 0.263 208 S C 0.773 175.405 174.600 0.055 0.000 1.287 208 S CA -0.140 58.082 58.200 0.038 0.000 0.990 208 S CB 0.525 63.733 63.200 0.013 0.000 0.950 208 S HN 0.789 nan 8.310 nan 0.000 0.561 209 N N 0.828 119.543 118.700 0.023 0.000 2.104 209 N HA -0.152 4.701 4.740 0.187 0.000 0.190 209 N C 1.723 177.259 175.510 0.043 0.000 1.024 209 N CA 1.559 54.618 53.050 0.015 0.000 0.853 209 N CB -0.769 37.721 38.487 0.005 0.000 1.008 209 N HN 0.767 nan 8.380 nan 0.000 0.424 210 Q N 0.134 119.964 119.800 0.049 0.000 2.170 210 Q HA -0.042 4.410 4.340 0.187 0.000 0.203 210 Q C 1.788 177.826 176.000 0.063 0.000 0.976 210 Q CA 1.071 56.898 55.803 0.041 0.000 0.858 210 Q CB -0.513 28.243 28.738 0.030 0.000 0.907 210 Q HN 0.407 nan 8.270 nan 0.000 0.433 211 F N -0.394 119.535 119.950 -0.036 0.000 2.146 211 F HA -0.086 4.545 4.527 0.173 0.000 0.298 211 F C 1.459 177.242 175.800 -0.028 0.000 1.096 211 F CA 1.140 59.122 58.000 -0.030 0.000 1.275 211 F CB -0.034 38.950 39.000 -0.026 0.000 1.008 211 F HN 0.080 nan 8.300 nan 0.000 0.480 212 L N -0.228 121.098 121.223 0.171 0.000 2.093 212 L HA -0.202 4.250 4.340 0.187 0.000 0.208 212 L C 2.399 179.245 176.870 -0.041 0.000 1.085 212 L CA 1.172 56.048 54.840 0.060 0.000 0.755 212 L CB -0.653 41.438 42.059 0.053 0.000 0.904 212 L HN 0.194 nan 8.230 nan 0.000 0.435 213 I N -0.096 120.455 120.570 -0.032 0.000 2.163 213 I HA -0.264 4.018 4.170 0.187 0.000 0.240 213 I C 2.229 178.295 176.117 -0.085 0.000 1.081 213 I CA 1.077 62.351 61.300 -0.043 0.000 1.353 213 I CB -0.415 37.573 38.000 -0.020 0.000 1.054 213 I HN 0.298 nan 8.210 nan 0.000 0.407 214 N N 0.595 119.221 118.700 -0.122 0.000 2.137 214 N HA -0.172 4.680 4.740 0.187 0.000 0.190 214 N C 1.818 177.210 175.510 -0.196 0.000 1.017 214 N CA 2.130 55.086 53.050 -0.157 0.000 0.859 214 N CB -0.751 37.622 38.487 -0.191 0.000 1.002 214 N HN 0.475 nan 8.380 nan 0.000 0.428 215 T N -2.199 112.189 114.554 -0.276 0.000 3.113 215 T HA 0.046 4.509 4.350 0.187 0.000 0.256 215 T C 0.214 174.832 174.700 -0.136 0.000 1.131 215 T CA -0.038 61.914 62.100 -0.247 0.000 1.074 215 T CB -0.117 68.543 68.868 -0.347 0.000 0.944 215 T HN 0.054 nan 8.240 nan 0.000 0.516 216 N N 1.688 120.325 118.700 -0.106 0.000 2.758 216 N HA -0.148 4.704 4.740 0.187 0.000 0.248 216 N C 0.025 175.500 175.510 -0.059 0.000 1.076 216 N CA 0.866 53.874 53.050 -0.069 0.000 0.696 216 N CB -2.151 36.300 38.487 -0.059 0.000 0.979 216 N HN 0.911 nan 8.380 nan 0.000 0.550 217 S N -1.365 114.300 115.700 -0.058 0.000 2.576 217 S HA 0.102 4.685 4.470 0.187 0.000 0.272 217 S C 1.378 175.951 174.600 -0.044 0.000 1.352 217 S CA -0.008 58.168 58.200 -0.040 0.000 1.021 217 S CB 1.783 64.969 63.200 -0.023 0.000 0.887 217 S HN 0.383 nan 8.310 nan 0.000 0.542 218 E N 0.925 121.098 120.200 -0.045 0.000 2.118 218 E HA -0.148 4.315 4.350 0.187 0.000 0.195 218 E C 1.714 178.267 176.600 -0.079 0.000 0.992 218 E CA 1.120 57.485 56.400 -0.058 0.000 0.804 218 E CB -0.243 29.426 29.700 -0.051 0.000 0.741 218 E HN 0.777 nan 8.360 nan 0.000 0.458 219 L N 0.169 121.344 121.223 -0.080 0.000 2.046 219 L HA -0.164 4.288 4.340 0.187 0.000 0.208 219 L C 2.613 179.487 176.870 0.006 0.000 1.077 219 L CA 1.120 55.918 54.840 -0.069 0.000 0.747 219 L CB -0.412 41.572 42.059 -0.125 0.000 0.896 219 L HN 0.242 nan 8.230 nan 0.000 0.432 220 A N -0.488 122.329 122.820 -0.005 0.000 1.969 220 A HA -0.195 4.238 4.320 0.187 0.000 0.218 220 A C 2.146 179.727 177.584 -0.005 0.000 1.169 220 A CA 1.298 53.345 52.037 0.016 0.000 0.635 220 A CB -0.499 18.497 19.000 -0.007 0.000 0.810 220 A HN 0.331 nan 8.150 nan 0.000 0.445 221 L N -1.347 119.851 121.223 -0.043 0.000 2.109 221 L HA -0.046 4.407 4.340 0.187 0.000 0.207 221 L C 2.375 179.184 176.870 -0.101 0.000 1.086 221 L CA 2.293 57.098 54.840 -0.059 0.000 0.760 221 L CB -0.409 41.614 42.059 -0.061 0.000 0.910 221 L HN 0.449 nan 8.230 nan 0.000 0.437 222 M N -1.493 118.000 119.600 -0.177 0.000 2.175 222 M HA -0.165 4.428 4.480 0.187 0.000 0.264 222 M C 1.105 177.132 176.300 -0.455 0.000 1.063 222 M CA 1.812 56.898 55.300 -0.356 0.000 1.119 222 M CB -0.402 31.883 32.600 -0.524 0.000 1.377 222 M HN 0.250 nan 8.290 nan 0.000 0.415 223 Y N 0.893 121.182 120.300 -0.018 0.000 2.524 223 Y HA 0.337 4.986 4.550 0.164 0.000 0.266 223 Y C 0.283 176.177 175.900 -0.010 0.000 1.180 223 Y CA -0.680 57.414 58.100 -0.010 0.000 1.244 223 Y CB -0.692 37.761 38.460 -0.012 0.000 1.125 223 Y HN 0.330 nan 8.280 nan 0.000 0.524 224 N N 1.306 120.048 118.700 0.071 0.000 2.725 224 N HA -0.239 4.613 4.740 0.187 0.000 0.251 224 N C -0.657 174.885 175.510 0.054 0.000 1.031 224 N CA 1.332 54.409 53.050 0.046 0.000 0.720 224 N CB -1.117 37.395 38.487 0.043 0.000 0.930 224 N HN 0.476 nan 8.380 nan 0.000 0.543 225 D N -2.308 118.125 120.400 0.056 0.000 3.018 225 D HA -0.169 4.583 4.640 0.187 0.000 0.224 225 D C -0.683 175.643 176.300 0.042 0.000 1.185 225 D CA 1.508 55.532 54.000 0.040 0.000 0.858 225 D CB -1.410 39.401 40.800 0.018 0.000 1.112 225 D HN 0.485 nan 8.370 nan 0.000 0.415 226 S N -0.443 115.295 115.700 0.063 0.000 2.530 226 S HA 0.415 4.997 4.470 0.187 0.000 0.322 226 S C 0.446 175.056 174.600 0.016 0.000 1.085 226 S CA -0.485 57.740 58.200 0.042 0.000 1.096 226 S CB 2.044 65.273 63.200 0.049 0.000 0.988 226 S HN 0.154 nan 8.310 nan 0.000 0.466 227 S N 1.343 117.040 115.700 -0.005 0.000 3.549 227 S HA -0.151 4.431 4.470 0.187 0.000 0.366 227 S C 1.457 175.988 174.600 -0.116 0.000 1.012 227 S CA 0.469 58.644 58.200 -0.041 0.000 1.141 227 S CB -1.737 61.438 63.200 -0.041 0.000 0.910 227 S HN 0.633 nan 8.310 nan 0.000 0.471 228 V N 0.757 120.629 119.914 -0.070 0.000 2.215 228 V HA -0.311 3.921 4.120 0.187 0.000 0.249 228 V C 2.297 178.259 176.094 -0.219 0.000 1.054 228 V CA 2.651 64.906 62.300 -0.075 0.000 1.012 228 V CB -0.597 31.224 31.823 -0.002 0.000 0.639 228 V HN 0.681 nan 8.190 nan 0.000 0.448 229 L N -0.674 120.409 121.223 -0.233 0.000 2.017 229 L HA -0.218 4.234 4.340 0.187 0.000 0.208 229 L C 2.676 179.158 176.870 -0.646 0.000 1.073 229 L CA 1.722 56.286 54.840 -0.460 0.000 0.745 229 L CB -0.662 41.152 42.059 -0.408 0.000 0.894 229 L HN 0.358 nan 8.230 nan 0.000 0.432 230 E N 0.116 120.166 120.200 -0.248 0.000 2.058 230 E HA -0.211 4.252 4.350 0.187 0.000 0.194 230 E C 2.007 178.517 176.600 -0.150 0.000 0.997 230 E CA 1.175 57.553 56.400 -0.036 0.000 0.801 230 E CB -0.258 29.465 29.700 0.038 0.000 0.746 230 E HN 0.354 nan 8.360 nan 0.000 0.450 231 N N -0.195 118.305 118.700 -0.334 0.000 2.104 231 N HA -0.192 4.660 4.740 0.187 0.000 0.190 231 N C 1.843 177.102 175.510 -0.418 0.000 1.024 231 N CA 1.353 54.099 53.050 -0.507 0.000 0.853 231 N CB -0.322 37.440 38.487 -1.208 0.000 1.008 231 N HN 0.264 nan 8.380 nan 0.000 0.424 232 H N 0.858 119.604 119.070 -0.541 0.000 2.353 232 H HA -0.059 4.576 4.556 0.133 0.000 0.300 232 H C 1.833 177.088 175.328 -0.121 0.000 1.090 232 H CA 1.754 57.669 56.048 -0.221 0.000 1.327 232 H CB -0.178 29.459 29.762 -0.208 0.000 1.383 232 H HN 0.306 nan 8.280 nan 0.000 0.508 233 H N -0.067 118.914 119.070 -0.148 0.000 2.352 233 H HA -0.126 4.539 4.556 0.182 0.000 0.299 233 H C 2.650 177.883 175.328 -0.158 0.000 1.097 233 H CA 1.500 57.429 56.048 -0.198 0.000 1.311 233 H CB -0.566 29.126 29.762 -0.116 0.000 1.377 233 H HN 0.356 nan 8.280 nan 0.000 0.504 234 L N 0.040 121.300 121.223 0.061 0.000 2.017 234 L HA -0.143 4.309 4.340 0.187 0.000 0.208 234 L C 2.875 179.881 176.870 0.227 0.000 1.073 234 L CA 1.011 55.931 54.840 0.133 0.000 0.745 234 L CB -0.492 41.697 42.059 0.216 0.000 0.894 234 L HN 0.230 nan 8.230 nan 0.000 0.432 235 A N -0.504 122.413 122.820 0.162 0.000 1.883 235 A HA -0.180 4.252 4.320 0.187 0.000 0.217 235 A C 2.289 179.945 177.584 0.120 0.000 1.186 235 A CA 2.005 54.164 52.037 0.204 0.000 0.624 235 A CB -0.909 18.216 19.000 0.209 0.000 0.822 235 A HN 0.216 nan 8.150 nan 0.000 0.444 236 V N -0.060 119.811 119.914 -0.072 0.000 2.343 236 V HA -0.175 4.057 4.120 0.187 0.000 0.247 236 V C 2.842 178.899 176.094 -0.063 0.000 1.051 236 V CA 1.917 64.140 62.300 -0.129 0.000 1.036 236 V CB -1.548 30.093 31.823 -0.303 0.000 0.654 236 V HN 0.626 nan 8.190 nan 0.000 0.451 237 G N -0.529 108.224 108.800 -0.079 0.000 2.476 237 G HA2 -0.272 3.800 3.960 0.187 0.000 0.218 237 G HA3 -0.272 3.800 3.960 0.187 0.000 0.218 237 G C 1.449 176.394 174.900 0.076 0.000 1.164 237 G CA 1.126 46.175 45.100 -0.084 0.000 0.768 237 G HN 0.463 nan 8.290 nan 0.000 0.560 238 F N 0.920 121.009 119.950 0.231 0.000 2.187 238 F HA 0.174 4.811 4.527 0.183 0.000 0.295 238 F C 2.701 178.591 175.800 0.151 0.000 1.091 238 F CA 1.154 59.291 58.000 0.229 0.000 1.308 238 F CB -0.204 38.898 39.000 0.170 0.000 1.030 238 F HN 0.020 nan 8.300 nan 0.000 0.487 239 K N 0.371 120.935 120.400 0.273 0.000 2.063 239 K HA -0.165 4.267 4.320 0.187 0.000 0.208 239 K C 1.951 178.623 176.600 0.120 0.000 1.048 239 K CA 1.308 57.689 56.287 0.157 0.000 0.928 239 K CB -0.571 31.985 32.500 0.094 0.000 0.713 239 K HN 0.288 nan 8.250 nan 0.000 0.442 240 L N 1.039 122.325 121.223 0.106 0.000 2.353 240 L HA -0.156 4.296 4.340 0.187 0.000 0.220 240 L C 1.998 179.018 176.870 0.250 0.000 1.133 240 L CA 0.589 55.486 54.840 0.095 0.000 0.798 240 L CB -0.387 41.655 42.059 -0.028 0.000 0.922 240 L HN 0.201 nan 8.230 nan 0.000 0.445 241 L N -0.816 120.553 121.223 0.245 0.000 2.362 241 L HA -0.188 4.265 4.340 0.187 0.000 0.219 241 L C 2.256 179.171 176.870 0.075 0.000 1.134 241 L CA 0.900 55.794 54.840 0.091 0.000 0.807 241 L CB -0.311 41.762 42.059 0.022 0.000 0.927 241 L HN 0.353 nan 8.230 nan 0.000 0.447 242 Q N -0.441 119.415 119.800 0.093 0.000 2.432 242 Q HA 0.017 4.469 4.340 0.187 0.000 0.205 242 Q C 0.294 176.329 176.000 0.057 0.000 0.945 242 Q CA 0.152 55.995 55.803 0.066 0.000 0.924 242 Q CB 0.285 29.063 28.738 0.067 0.000 1.016 242 Q HN 0.521 nan 8.270 nan 0.000 0.503 243 E N 1.182 121.422 120.200 0.067 0.000 2.391 243 E HA 0.007 4.469 4.350 0.187 0.000 0.255 243 E C -0.243 176.386 176.600 0.048 0.000 1.187 243 E CA -0.348 56.086 56.400 0.055 0.000 0.941 243 E CB 0.450 30.184 29.700 0.056 0.000 1.010 243 E HN -0.031 nan 8.360 nan 0.000 0.458 244 E N 1.664 121.887 120.200 0.039 0.000 2.558 244 E HA -0.186 4.276 4.350 0.187 0.000 0.255 244 E C -0.086 176.531 176.600 0.029 0.000 0.968 244 E CA 0.687 57.105 56.400 0.029 0.000 0.939 244 E CB -0.317 29.397 29.700 0.024 0.000 0.921 244 E HN 0.613 nan 8.360 nan 0.000 0.477 245 N N 3.151 121.864 118.700 0.022 0.000 2.716 245 N HA -0.286 4.566 4.740 0.187 0.000 0.250 245 N C -0.483 175.040 175.510 0.023 0.000 1.033 245 N CA 0.469 53.529 53.050 0.015 0.000 0.727 245 N CB -1.051 37.443 38.487 0.011 0.000 0.950 245 N HN 0.493 nan 8.380 nan 0.000 0.541 246 C N -0.632 118.688 119.300 0.033 0.000 3.392 246 C HA 0.142 4.714 4.460 0.187 0.000 0.301 246 C C 0.612 175.570 174.990 -0.054 0.000 1.354 246 C CA -0.334 58.726 59.018 0.070 0.000 1.732 246 C CB -0.354 27.487 27.740 0.168 0.000 2.269 246 C HN 0.476 nan 8.230 nan 0.000 0.673 247 D N 2.116 122.467 120.400 -0.083 0.000 2.416 247 D HA 0.112 4.864 4.640 0.187 0.000 0.240 247 D C 1.275 177.425 176.300 -0.250 0.000 1.250 247 D CA -0.090 53.809 54.000 -0.169 0.000 0.967 247 D CB 0.001 40.764 40.800 -0.062 0.000 1.059 247 D HN 0.595 nan 8.370 nan 0.000 0.512 248 I N -0.718 119.536 120.570 -0.526 0.000 3.001 248 I HA -0.010 4.272 4.170 0.187 0.000 0.268 248 I C 0.463 176.311 176.117 -0.449 0.000 1.267 248 I CA 0.487 61.471 61.300 -0.527 0.000 1.472 248 I CB -0.271 37.291 38.000 -0.730 0.000 1.089 248 I HN 0.026 nan 8.210 nan 0.000 0.468 249 F N 2.183 122.038 119.950 -0.158 0.000 2.641 249 F HA 0.190 4.828 4.527 0.185 0.000 0.302 249 F C 2.303 178.062 175.800 -0.069 0.000 1.098 249 F CA -0.697 57.219 58.000 -0.140 0.000 1.318 249 F CB -0.722 38.153 39.000 -0.207 0.000 1.035 249 F HN 0.217 nan 8.300 nan 0.000 0.551 250 Q N -0.118 119.719 119.800 0.061 0.000 2.234 250 Q HA -0.197 4.255 4.340 0.187 0.000 0.206 250 Q C 0.649 176.689 176.000 0.067 0.000 0.980 250 Q CA 1.746 57.579 55.803 0.051 0.000 0.869 250 Q CB -0.369 28.380 28.738 0.018 0.000 0.912 250 Q HN 0.239 nan 8.270 nan 0.000 0.436 251 N N -0.109 118.647 118.700 0.093 0.000 2.203 251 N HA 0.186 5.038 4.740 0.187 0.000 0.207 251 N C -0.584 174.999 175.510 0.122 0.000 1.130 251 N CA -0.063 53.046 53.050 0.098 0.000 0.861 251 N CB 0.452 39.000 38.487 0.101 0.000 1.005 251 N HN 0.124 nan 8.380 nan 0.000 0.507 252 L N 1.004 122.303 121.223 0.127 0.000 2.453 252 L HA 0.149 4.601 4.340 0.187 0.000 0.261 252 L C 1.399 178.307 176.870 0.064 0.000 1.179 252 L CA 0.027 54.933 54.840 0.110 0.000 0.813 252 L CB 0.567 42.639 42.059 0.023 0.000 1.110 252 L HN 0.096 nan 8.230 nan 0.000 0.466 253 T N -1.580 113.008 114.554 0.057 0.000 2.828 253 T HA 0.164 4.627 4.350 0.187 0.000 0.290 253 T C 1.097 175.800 174.700 0.005 0.000 1.019 253 T CA -0.439 61.680 62.100 0.032 0.000 1.031 253 T CB 0.606 69.494 68.868 0.034 0.000 1.001 253 T HN 0.629 nan 8.240 nan 0.000 0.531 254 K N 0.463 120.862 120.400 -0.002 0.000 2.044 254 K HA -0.226 4.206 4.320 0.187 0.000 0.210 254 K C 2.191 178.772 176.600 -0.032 0.000 1.049 254 K CA 1.795 58.071 56.287 -0.018 0.000 0.927 254 K CB -0.263 32.228 32.500 -0.014 0.000 0.713 254 K HN 0.583 nan 8.250 nan 0.000 0.443 255 K N 1.115 121.502 120.400 -0.021 0.000 2.057 255 K HA -0.159 4.273 4.320 0.187 0.000 0.207 255 K C 2.032 178.610 176.600 -0.037 0.000 1.049 255 K CA 1.744 58.016 56.287 -0.027 0.000 0.931 255 K CB -0.099 32.395 32.500 -0.011 0.000 0.714 255 K HN 0.311 nan 8.250 nan 0.000 0.440 256 Q N -0.272 119.511 119.800 -0.028 0.000 2.084 256 Q HA -0.104 4.349 4.340 0.187 0.000 0.202 256 Q C 2.282 178.199 176.000 -0.138 0.000 0.978 256 Q CA 1.529 57.302 55.803 -0.051 0.000 0.844 256 Q CB -0.138 28.596 28.738 -0.006 0.000 0.898 256 Q HN 0.267 nan 8.270 nan 0.000 0.426 257 R N 0.562 120.980 120.500 -0.137 0.000 2.081 257 R HA -0.168 4.284 4.340 0.187 0.000 0.235 257 R C 2.299 178.496 176.300 -0.171 0.000 1.131 257 R CA 1.529 57.515 56.100 -0.191 0.000 0.960 257 R CB -0.121 30.109 30.300 -0.116 0.000 0.856 257 R HN 0.381 nan 8.270 nan 0.000 0.436 258 Q N -0.533 119.195 119.800 -0.119 0.000 2.079 258 Q HA -0.111 4.341 4.340 0.187 0.000 0.200 258 Q C 2.214 178.150 176.000 -0.108 0.000 0.974 258 Q CA 1.486 57.223 55.803 -0.110 0.000 0.840 258 Q CB -0.070 28.616 28.738 -0.086 0.000 0.898 258 Q HN 0.165 nan 8.270 nan 0.000 0.430 259 S N 0.528 116.171 115.700 -0.095 0.000 2.357 259 S HA -0.104 4.478 4.470 0.187 0.000 0.221 259 S C 1.825 176.388 174.600 -0.062 0.000 1.031 259 S CA 0.648 58.808 58.200 -0.068 0.000 0.982 259 S CB -0.175 63.004 63.200 -0.035 0.000 0.853 259 S HN 0.294 nan 8.310 nan 0.000 0.458 260 L N 2.413 123.553 121.223 -0.137 0.000 1.989 260 L HA -0.048 4.404 4.340 0.187 0.000 0.211 260 L C 2.399 179.215 176.870 -0.090 0.000 1.071 260 L CA 2.188 56.913 54.840 -0.192 0.000 0.749 260 L CB -0.800 40.982 42.059 -0.461 0.000 0.890 260 L HN 0.265 nan 8.230 nan 0.000 0.431 261 R N -0.309 120.126 120.500 -0.107 0.000 2.091 261 R HA -0.257 4.195 4.340 0.187 0.000 0.238 261 R C 2.491 178.808 176.300 0.029 0.000 1.136 261 R CA 2.129 58.211 56.100 -0.030 0.000 0.959 261 R CB -0.315 29.853 30.300 -0.220 0.000 0.856 261 R HN 0.475 nan 8.270 nan 0.000 0.437 262 K N 0.045 120.440 120.400 -0.007 0.000 2.057 262 K HA -0.127 4.305 4.320 0.187 0.000 0.206 262 K C 2.142 178.822 176.600 0.134 0.000 1.050 262 K CA 1.696 58.002 56.287 0.031 0.000 0.935 262 K CB -0.021 32.458 32.500 -0.036 0.000 0.715 262 K HN 0.205 nan 8.250 nan 0.000 0.439 263 M N 0.234 119.928 119.600 0.155 0.000 2.099 263 M HA -0.157 4.435 4.480 0.187 0.000 0.262 263 M C 2.162 178.548 176.300 0.144 0.000 1.067 263 M CA 1.256 56.662 55.300 0.176 0.000 1.124 263 M CB -0.178 32.501 32.600 0.131 0.000 1.353 263 M HN -0.021 nan 8.290 nan 0.000 0.410 264 V N 0.958 120.980 119.914 0.180 0.000 2.332 264 V HA -0.284 3.948 4.120 0.187 0.000 0.248 264 V C 2.216 178.454 176.094 0.239 0.000 1.055 264 V CA 1.828 64.274 62.300 0.244 0.000 1.038 264 V CB -0.621 31.453 31.823 0.419 0.000 0.651 264 V HN 0.427 nan 8.190 nan 0.000 0.450 265 I N -0.165 120.560 120.570 0.259 0.000 2.202 265 I HA -0.213 4.070 4.170 0.187 0.000 0.242 265 I C 2.320 178.518 176.117 0.136 0.000 1.091 265 I CA 1.608 63.034 61.300 0.209 0.000 1.368 265 I CB -0.524 37.569 38.000 0.156 0.000 1.058 265 I HN 0.293 nan 8.210 nan 0.000 0.410 266 D N 0.971 121.446 120.400 0.126 0.000 2.149 266 D HA -0.160 4.592 4.640 0.187 0.000 0.198 266 D C 2.198 178.534 176.300 0.061 0.000 0.990 266 D CA 1.413 55.471 54.000 0.098 0.000 0.839 266 D CB -0.144 40.733 40.800 0.129 0.000 0.948 266 D HN 0.350 nan 8.370 nan 0.000 0.460 267 I N 0.075 120.681 120.570 0.060 0.000 2.162 267 I HA -0.207 4.075 4.170 0.187 0.000 0.238 267 I C 2.464 178.609 176.117 0.046 0.000 1.076 267 I CA 0.536 61.853 61.300 0.029 0.000 1.353 267 I CB -0.322 37.688 38.000 0.016 0.000 1.063 267 I HN -0.127 nan 8.210 nan 0.000 0.408 268 V N 1.308 121.271 119.914 0.082 0.000 2.287 268 V HA -0.289 3.943 4.120 0.187 0.000 0.248 268 V C 2.414 178.570 176.094 0.103 0.000 1.053 268 V CA 1.772 64.138 62.300 0.111 0.000 1.027 268 V CB -0.601 31.302 31.823 0.133 0.000 0.646 268 V HN 0.384 nan 8.190 nan 0.000 0.447 269 L N 0.047 121.318 121.223 0.080 0.000 2.261 269 L HA -0.150 4.303 4.340 0.187 0.000 0.216 269 L C 2.482 179.373 176.870 0.034 0.000 1.114 269 L CA 1.213 56.085 54.840 0.054 0.000 0.777 269 L CB -0.617 41.468 42.059 0.043 0.000 0.910 269 L HN 0.394 nan 8.230 nan 0.000 0.440 270 A N -0.379 122.452 122.820 0.019 0.000 2.119 270 A HA -0.105 4.327 4.320 0.187 0.000 0.216 270 A C 2.269 179.811 177.584 -0.071 0.000 1.152 270 A CA 1.363 53.377 52.037 -0.039 0.000 0.708 270 A CB -0.597 18.369 19.000 -0.056 0.000 0.805 270 A HN 0.488 nan 8.150 nan 0.000 0.460 271 T N -2.248 112.327 114.554 0.035 0.000 3.072 271 T HA -0.040 4.423 4.350 0.187 0.000 0.266 271 T C 0.580 175.368 174.700 0.146 0.000 1.127 271 T CA 0.475 62.651 62.100 0.126 0.000 1.107 271 T CB -0.418 68.592 68.868 0.237 0.000 0.910 271 T HN 0.332 nan 8.240 nan 0.000 0.513 272 D N 1.367 121.822 120.400 0.091 0.000 2.382 272 D HA 0.029 4.782 4.640 0.187 0.000 0.259 272 D C 1.180 177.538 176.300 0.096 0.000 1.224 272 D CA -0.259 53.800 54.000 0.097 0.000 0.894 272 D CB 0.801 41.637 40.800 0.060 0.000 1.127 272 D HN -0.009 nan 8.370 nan 0.000 0.487 273 M N 2.658 122.344 119.600 0.144 0.000 2.426 273 M HA -0.167 4.426 4.480 0.187 0.000 0.261 273 M C 1.960 178.351 176.300 0.152 0.000 1.068 273 M CA 0.801 56.206 55.300 0.174 0.000 1.066 273 M CB -1.207 31.492 32.600 0.164 0.000 1.399 273 M HN 0.469 nan 8.290 nan 0.000 0.449 274 S N -0.850 114.911 115.700 0.102 0.000 2.515 274 S HA -0.029 4.553 4.470 0.187 0.000 0.231 274 S C 1.594 176.236 174.600 0.070 0.000 0.987 274 S CA 0.489 58.739 58.200 0.083 0.000 0.936 274 S CB 0.036 63.271 63.200 0.058 0.000 0.766 274 S HN 0.314 nan 8.310 nan 0.000 0.528 275 K N 0.398 120.831 120.400 0.056 0.000 2.348 275 K HA 0.166 4.598 4.320 0.187 0.000 0.194 275 K C 1.569 178.167 176.600 -0.003 0.000 1.052 275 K CA 0.677 56.970 56.287 0.009 0.000 1.004 275 K CB -0.758 31.722 32.500 -0.034 0.000 0.873 275 K HN 0.584 nan 8.250 nan 0.000 0.523 276 H N 2.146 121.190 119.070 -0.044 0.000 2.260 276 H HA -0.182 4.486 4.556 0.187 0.000 0.288 276 H C 1.919 177.278 175.328 0.051 0.000 1.094 276 H CA 2.531 58.585 56.048 0.011 0.000 1.197 276 H CB 0.047 29.912 29.762 0.171 0.000 1.346 276 H HN -0.095 nan 8.280 nan 0.000 0.486 277 M N 0.437 120.006 119.600 -0.052 0.000 2.255 277 M HA -0.232 4.360 4.480 0.187 0.000 0.260 277 M C 2.084 178.317 176.300 -0.112 0.000 1.069 277 M CA 1.754 56.997 55.300 -0.095 0.000 1.089 277 M CB -1.253 31.373 32.600 0.043 0.000 1.269 277 M HN 0.462 nan 8.290 nan 0.000 0.434 278 N N 0.487 119.156 118.700 -0.052 0.000 2.289 278 N HA -0.137 4.715 4.740 0.187 0.000 0.184 278 N C 1.709 177.180 175.510 -0.065 0.000 1.016 278 N CA 0.877 53.902 53.050 -0.043 0.000 0.872 278 N CB -0.430 38.046 38.487 -0.017 0.000 0.973 278 N HN 0.223 nan 8.380 nan 0.000 0.433 279 L N 0.853 122.017 121.223 -0.099 0.000 2.093 279 L HA -0.017 4.435 4.340 0.187 0.000 0.208 279 L C 2.044 178.855 176.870 -0.099 0.000 1.085 279 L CA 1.004 55.782 54.840 -0.102 0.000 0.755 279 L CB -0.652 41.316 42.059 -0.152 0.000 0.904 279 L HN 0.059 nan 8.230 nan 0.000 0.435 280 L N -0.298 120.823 121.223 -0.171 0.000 2.027 280 L HA -0.029 4.423 4.340 0.187 0.000 0.206 280 L C 2.527 179.356 176.870 -0.069 0.000 1.074 280 L CA 1.989 56.744 54.840 -0.142 0.000 0.745 280 L CB -1.115 40.787 42.059 -0.263 0.000 0.898 280 L HN 0.233 nan 8.230 nan 0.000 0.433 281 A N -0.233 122.549 122.820 -0.064 0.000 1.884 281 A HA -0.304 4.128 4.320 0.187 0.000 0.219 281 A C 2.011 179.582 177.584 -0.021 0.000 1.197 281 A CA 2.282 54.300 52.037 -0.032 0.000 0.637 281 A CB -1.143 17.842 19.000 -0.024 0.000 0.827 281 A HN 0.613 nan 8.150 nan 0.000 0.450 282 D N -0.536 119.851 120.400 -0.022 0.000 2.149 282 D HA -0.146 4.606 4.640 0.187 0.000 0.198 282 D C 1.781 178.077 176.300 -0.006 0.000 0.990 282 D CA 1.436 55.429 54.000 -0.012 0.000 0.839 282 D CB -0.473 40.321 40.800 -0.011 0.000 0.948 282 D HN 0.385 nan 8.370 nan 0.000 0.460 283 L N 0.941 122.163 121.223 -0.002 0.000 2.191 283 L HA -0.131 4.321 4.340 0.187 0.000 0.212 283 L C 1.811 178.681 176.870 -0.000 0.000 1.103 283 L CA 1.569 56.417 54.840 0.015 0.000 0.769 283 L CB -0.151 41.933 42.059 0.042 0.000 0.908 283 L HN -0.134 nan 8.230 nan 0.000 0.438 284 K N -1.460 118.937 120.400 -0.006 0.000 2.017 284 K HA -0.014 4.419 4.320 0.187 0.000 0.207 284 K C 1.846 178.438 176.600 -0.012 0.000 1.035 284 K CA 1.498 57.780 56.287 -0.008 0.000 0.947 284 K CB -0.659 31.838 32.500 -0.005 0.000 0.749 284 K HN 0.167 nan 8.250 nan 0.000 0.443 285 T N 2.123 116.671 114.554 -0.010 0.000 2.751 285 T HA -0.256 4.206 4.350 0.187 0.000 0.268 285 T C 1.703 176.394 174.700 -0.015 0.000 1.045 285 T CA 1.648 63.742 62.100 -0.011 0.000 1.142 285 T CB -0.143 68.720 68.868 -0.008 0.000 0.851 285 T HN 0.235 nan 8.240 nan 0.000 0.474 286 M N 0.427 120.017 119.600 -0.017 0.000 2.115 286 M HA -0.044 4.548 4.480 0.187 0.000 0.261 286 M C 2.191 178.469 176.300 -0.037 0.000 1.079 286 M CA 1.346 56.631 55.300 -0.024 0.000 1.143 286 M CB -0.152 32.435 32.600 -0.021 0.000 1.332 286 M HN 0.055 nan 8.290 nan 0.000 0.421 287 V N 1.121 121.011 119.914 -0.041 0.000 2.794 287 V HA -0.272 3.960 4.120 0.187 0.000 0.260 287 V C 1.886 177.954 176.094 -0.042 0.000 1.103 287 V CA 1.816 64.084 62.300 -0.053 0.000 1.125 287 V CB -1.099 30.693 31.823 -0.051 0.000 0.702 287 V HN 0.538 nan 8.190 nan 0.000 0.494 288 E N 0.534 120.715 120.200 -0.031 0.000 2.028 288 E HA -0.167 4.296 4.350 0.187 0.000 0.191 288 E C 2.163 178.744 176.600 -0.032 0.000 0.988 288 E CA 1.777 58.161 56.400 -0.026 0.000 0.799 288 E CB -0.270 29.419 29.700 -0.019 0.000 0.755 288 E HN 0.755 nan 8.360 nan 0.000 0.447 289 T N -0.482 114.053 114.554 -0.032 0.000 3.219 289 T HA 0.069 4.531 4.350 0.187 0.000 0.249 289 T C 0.553 175.226 174.700 -0.044 0.000 1.099 289 T CA -0.332 61.748 62.100 -0.034 0.000 0.988 289 T CB -0.130 68.721 68.868 -0.027 0.000 0.999 289 T HN -0.081 nan 8.240 nan 0.000 0.550 290 K N 1.964 122.332 120.400 -0.053 0.000 2.548 290 K HA -0.065 4.367 4.320 0.187 0.000 0.277 290 K C -0.525 176.035 176.600 -0.068 0.000 1.001 290 K CA 0.793 57.039 56.287 -0.069 0.000 1.102 290 K CB 0.259 32.712 32.500 -0.080 0.000 0.848 290 K HN 0.419 nan 8.250 nan 0.000 0.487 291 K N 2.644 123.001 120.400 -0.072 0.000 2.375 291 K HA 0.437 4.869 4.320 0.187 0.000 0.249 291 K C -1.163 175.389 176.600 -0.079 0.000 0.942 291 K CA -1.072 55.174 56.287 -0.068 0.000 0.806 291 K CB 2.344 34.809 32.500 -0.058 0.000 1.227 291 K HN 0.232 nan 8.250 nan 0.000 0.430 292 V N 1.062 120.932 119.914 -0.074 0.000 2.919 292 V HA 0.351 4.583 4.120 0.187 0.000 0.316 292 V C 0.577 176.630 176.094 -0.068 0.000 1.077 292 V CA -0.729 61.525 62.300 -0.078 0.000 0.977 292 V CB 1.982 33.760 31.823 -0.076 0.000 1.039 292 V HN 1.058 nan 8.190 nan 0.000 0.441 293 T N -0.560 113.952 114.554 -0.070 0.000 2.914 293 T HA 0.154 4.616 4.350 0.187 0.000 0.313 293 T C 1.190 175.859 174.700 -0.051 0.000 1.137 293 T CA 0.345 62.409 62.100 -0.061 0.000 0.946 293 T CB 0.640 69.469 68.868 -0.066 0.000 1.558 293 T HN 0.841 nan 8.240 nan 0.000 0.565 294 S N -1.067 114.606 115.700 -0.045 0.000 2.593 294 S HA 0.110 4.692 4.470 0.187 0.000 0.217 294 S C 1.594 176.172 174.600 -0.038 0.000 0.966 294 S CA 0.035 58.212 58.200 -0.038 0.000 0.914 294 S CB -0.468 62.713 63.200 -0.032 0.000 0.776 294 S HN 0.561 nan 8.310 nan 0.000 0.523 295 S N 0.495 116.170 115.700 -0.043 0.000 2.535 295 S HA 0.490 5.072 4.470 0.187 0.000 0.214 295 S C 1.467 176.041 174.600 -0.043 0.000 0.980 295 S CA 0.252 58.428 58.200 -0.040 0.000 0.907 295 S CB 0.320 63.495 63.200 -0.042 0.000 0.790 295 S HN 1.000 nan 8.310 nan 0.000 0.510 296 G N 1.177 109.947 108.800 -0.050 0.000 2.175 296 G HA2 -0.229 3.843 3.960 0.187 0.000 0.244 296 G HA3 -0.229 3.843 3.960 0.187 0.000 0.244 296 G C 0.084 174.946 174.900 -0.063 0.000 0.982 296 G CA 0.083 45.151 45.100 -0.053 0.000 0.641 296 G HN 0.403 nan 8.290 nan 0.000 0.527 297 V N 1.217 121.088 119.914 -0.071 0.000 2.837 297 V HA 0.720 4.952 4.120 0.187 0.000 0.310 297 V C 1.060 177.089 176.094 -0.108 0.000 1.059 297 V CA -0.879 61.368 62.300 -0.088 0.000 1.004 297 V CB 1.707 33.475 31.823 -0.091 0.000 1.045 297 V HN 0.431 nan 8.190 nan 0.000 0.465 298 L N 2.813 123.956 121.223 -0.132 0.000 2.506 298 L HA 0.191 4.643 4.340 0.187 0.000 0.281 298 L C -0.363 176.416 176.870 -0.151 0.000 1.228 298 L CA 0.467 55.220 54.840 -0.146 0.000 0.850 298 L CB 0.346 42.300 42.059 -0.175 0.000 1.110 298 L HN 0.603 nan 8.230 nan 0.000 0.496 299 L N 5.987 127.135 121.223 -0.125 0.000 2.280 299 L HA 0.543 4.995 4.340 0.187 0.000 0.287 299 L C -1.256 175.551 176.870 -0.105 0.000 1.023 299 L CA 0.050 54.823 54.840 -0.111 0.000 0.819 299 L CB 0.788 42.798 42.059 -0.082 0.000 1.212 299 L HN 0.518 nan 8.230 nan 0.000 0.420 300 L N 5.307 126.459 121.223 -0.118 0.000 2.376 300 L HA 0.484 4.936 4.340 0.187 0.000 0.275 300 L C -0.208 176.631 176.870 -0.052 0.000 0.987 300 L CA -0.569 54.220 54.840 -0.085 0.000 0.828 300 L CB 1.699 43.693 42.059 -0.109 0.000 1.249 300 L HN 0.543 nan 8.230 nan 0.000 0.409 301 D N 1.111 121.498 120.400 -0.022 0.000 2.397 301 D HA 0.010 4.762 4.640 0.187 0.000 0.262 301 D C 0.382 176.699 176.300 0.029 0.000 1.323 301 D CA 0.599 54.599 54.000 -0.001 0.000 0.999 301 D CB -0.066 40.734 40.800 -0.001 0.000 0.971 301 D HN 0.643 nan 8.370 nan 0.000 0.338 302 N N -0.175 118.548 118.700 0.039 0.000 2.340 302 N HA -0.122 4.730 4.740 0.187 0.000 0.236 302 N C 0.718 176.292 175.510 0.106 0.000 1.296 302 N CA -0.245 52.852 53.050 0.078 0.000 0.896 302 N CB 0.346 38.874 38.487 0.070 0.000 1.127 302 N HN 0.143 nan 8.380 nan 0.000 0.442 303 Y N 0.832 121.154 120.300 0.036 0.000 2.128 303 Y HA -0.281 4.380 4.550 0.186 0.000 0.284 303 Y C 2.631 178.560 175.900 0.049 0.000 1.154 303 Y CA 2.219 60.346 58.100 0.046 0.000 1.149 303 Y CB -0.772 37.707 38.460 0.032 0.000 0.976 303 Y HN 0.732 nan 8.280 nan 0.000 0.505 304 S N -0.086 115.676 115.700 0.104 0.000 2.368 304 S HA -0.261 4.321 4.470 0.187 0.000 0.226 304 S C 1.790 176.359 174.600 -0.053 0.000 1.044 304 S CA 2.125 60.340 58.200 0.026 0.000 1.062 304 S CB -0.593 62.650 63.200 0.071 0.000 0.931 304 S HN 0.658 nan 8.310 nan 0.000 0.440 305 D N 0.357 120.744 120.400 -0.021 0.000 2.149 305 D HA -0.008 4.744 4.640 0.187 0.000 0.201 305 D C 2.279 178.576 176.300 -0.005 0.000 0.972 305 D CA 0.789 54.782 54.000 -0.013 0.000 0.835 305 D CB -0.280 40.519 40.800 -0.003 0.000 0.966 305 D HN 0.486 nan 8.370 nan 0.000 0.476 306 R N 0.065 120.554 120.500 -0.019 0.000 2.115 306 R HA -0.036 4.416 4.340 0.187 0.000 0.230 306 R C 2.156 178.440 176.300 -0.027 0.000 1.111 306 R CA 0.457 56.608 56.100 0.086 0.000 0.976 306 R CB -0.102 30.263 30.300 0.109 0.000 0.870 306 R HN 0.120 nan 8.270 nan 0.000 0.445 307 I N 1.244 121.642 120.570 -0.287 0.000 2.406 307 I HA -0.162 4.120 4.170 0.187 0.000 0.249 307 I C 1.993 178.027 176.117 -0.139 0.000 1.122 307 I CA 1.369 62.471 61.300 -0.330 0.000 1.431 307 I CB -0.049 37.584 38.000 -0.612 0.000 1.087 307 I HN 0.089 nan 8.210 nan 0.000 0.424 308 Q N -0.447 119.303 119.800 -0.083 0.000 2.061 308 Q HA -0.194 4.258 4.340 0.187 0.000 0.204 308 Q C 2.280 178.304 176.000 0.041 0.000 0.984 308 Q CA 2.224 58.016 55.803 -0.019 0.000 0.846 308 Q CB -0.327 28.409 28.738 -0.004 0.000 0.902 308 Q HN 0.405 nan 8.270 nan 0.000 0.421 309 V N 1.234 121.204 119.914 0.093 0.000 2.287 309 V HA -0.285 3.947 4.120 0.187 0.000 0.248 309 V C 2.218 178.424 176.094 0.186 0.000 1.053 309 V CA 1.683 64.117 62.300 0.222 0.000 1.027 309 V CB -0.576 31.435 31.823 0.313 0.000 0.646 309 V HN 0.355 nan 8.190 nan 0.000 0.447 310 L N -0.760 120.473 121.223 0.017 0.000 2.083 310 L HA -0.232 4.221 4.340 0.187 0.000 0.209 310 L C 2.682 179.503 176.870 -0.083 0.000 1.083 310 L CA 1.601 56.367 54.840 -0.123 0.000 0.752 310 L CB -0.600 41.304 42.059 -0.258 0.000 0.899 310 L HN 0.385 nan 8.230 nan 0.000 0.433 311 Q N -0.214 119.555 119.800 -0.053 0.000 1.993 311 Q HA -0.179 4.273 4.340 0.187 0.000 0.202 311 Q C 2.094 178.075 176.000 -0.031 0.000 0.984 311 Q CA 1.489 57.265 55.803 -0.044 0.000 0.837 311 Q CB -0.163 28.550 28.738 -0.041 0.000 0.902 311 Q HN 0.476 nan 8.270 nan 0.000 0.423 312 N N 0.475 119.176 118.700 0.001 0.000 2.205 312 N HA -0.171 4.681 4.740 0.187 0.000 0.186 312 N C 1.728 177.107 175.510 -0.218 0.000 1.015 312 N CA 1.067 54.121 53.050 0.007 0.000 0.862 312 N CB -0.159 38.388 38.487 0.099 0.000 0.986 312 N HN 0.296 nan 8.380 nan 0.000 0.429 313 M N 0.781 120.209 119.600 -0.287 0.000 2.067 313 M HA -0.139 4.453 4.480 0.187 0.000 0.260 313 M C 1.808 177.837 176.300 -0.452 0.000 1.069 313 M CA 1.487 56.389 55.300 -0.664 0.000 1.117 313 M CB -0.015 32.397 32.600 -0.314 0.000 1.334 313 M HN -0.138 nan 8.290 nan 0.000 0.407 314 V N -0.173 119.599 119.914 -0.236 0.000 2.515 314 V HA -0.262 3.970 4.120 0.187 0.000 0.250 314 V C 2.350 178.352 176.094 -0.153 0.000 1.058 314 V CA 2.153 64.340 62.300 -0.188 0.000 1.064 314 V CB -1.371 30.366 31.823 -0.143 0.000 0.675 314 V HN 0.611 nan 8.190 nan 0.000 0.461 315 H N -0.511 118.427 119.070 -0.220 0.000 2.421 315 H HA -0.157 4.511 4.556 0.186 0.000 0.298 315 H C 2.169 177.377 175.328 -0.199 0.000 1.087 315 H CA 1.967 57.925 56.048 -0.150 0.000 1.330 315 H CB -0.455 29.251 29.762 -0.093 0.000 1.388 315 H HN 0.421 nan 8.280 nan 0.000 0.526 316 C N -0.054 118.973 119.300 -0.455 0.000 2.466 316 C HA 0.165 4.738 4.460 0.187 0.000 0.278 316 C C 3.078 177.975 174.990 -0.155 0.000 1.288 316 C CA 0.804 59.413 59.018 -0.682 0.000 1.722 316 C CB -1.160 25.713 27.740 -1.446 0.000 2.017 316 C HN 0.772 nan 8.230 nan 0.000 0.488 317 A N 0.414 123.146 122.820 -0.147 0.000 1.933 317 A HA -0.246 4.186 4.320 0.187 0.000 0.218 317 A C 1.805 179.349 177.584 -0.067 0.000 1.175 317 A CA 2.370 54.399 52.037 -0.013 0.000 0.628 317 A CB -0.650 18.286 19.000 -0.107 0.000 0.814 317 A HN 0.591 nan 8.150 nan 0.000 0.444 318 D N -0.629 119.710 120.400 -0.102 0.000 2.183 318 D HA -0.017 4.735 4.640 0.187 0.000 0.203 318 D C 1.068 177.421 176.300 0.089 0.000 0.969 318 D CA 0.726 54.722 54.000 -0.006 0.000 0.842 318 D CB -0.076 40.739 40.800 0.024 0.000 0.957 318 D HN 0.374 nan 8.370 nan 0.000 0.484 319 L N 0.499 121.741 121.223 0.032 0.000 3.034 319 L HA 0.234 4.686 4.340 0.187 0.000 0.245 319 L C 1.086 178.098 176.870 0.236 0.000 1.295 319 L CA -0.062 54.831 54.840 0.089 0.000 1.068 319 L CB 0.238 42.249 42.059 -0.079 0.000 1.426 319 L HN 0.046 nan 8.230 nan 0.000 0.531 320 S N -3.436 112.377 115.700 0.187 0.000 2.540 320 S HA 0.026 4.609 4.470 0.187 0.000 0.218 320 S C 1.140 175.679 174.600 -0.101 0.000 0.977 320 S CA -0.292 58.011 58.200 0.171 0.000 0.918 320 S CB -0.175 63.205 63.200 0.299 0.000 0.806 320 S HN 0.484 nan 8.310 nan 0.000 0.496 321 N N 2.905 121.521 118.700 -0.140 0.000 2.061 321 N HA -0.066 4.786 4.740 0.187 0.000 0.193 321 N C -1.356 173.944 175.510 -0.350 0.000 1.030 321 N CA 1.568 54.524 53.050 -0.157 0.000 0.856 321 N CB -0.794 37.689 38.487 -0.006 0.000 1.023 321 N HN 0.426 nan 8.380 nan 0.000 0.424 322 P HA -0.041 nan 4.420 nan 0.000 0.234 322 P C 0.792 177.724 177.300 -0.614 0.000 1.167 322 P CA 1.121 63.468 63.100 -1.255 0.000 0.763 322 P CB 0.013 31.275 31.700 -0.730 0.000 0.835 323 T N -5.401 108.920 114.554 -0.389 0.000 3.069 323 T HA 0.181 4.643 4.350 0.187 0.000 0.252 323 T C 0.820 175.553 174.700 0.055 0.000 1.053 323 T CA -0.157 61.786 62.100 -0.263 0.000 0.964 323 T CB -0.127 68.391 68.868 -0.584 0.000 1.005 323 T HN -0.155 nan 8.240 nan 0.000 0.532 324 K N 2.430 122.849 120.400 0.032 0.000 2.109 324 K HA 0.419 4.851 4.320 0.187 0.000 0.243 324 K C -2.727 173.950 176.600 0.128 0.000 1.006 324 K CA -2.689 53.659 56.287 0.102 0.000 0.917 324 K CB 0.236 32.746 32.500 0.017 0.000 1.081 324 K HN 0.083 nan 8.250 nan 0.000 0.468 325 P HA -0.062 nan 4.420 nan 0.000 0.264 325 P C 1.033 178.387 177.300 0.090 0.000 1.193 325 P CA -0.055 63.100 63.100 0.093 0.000 0.763 325 P CB 0.492 32.241 31.700 0.082 0.000 0.810 326 L N 3.451 124.691 121.223 0.028 0.000 2.113 326 L HA -0.281 4.171 4.340 0.187 0.000 0.221 326 L C 2.614 179.396 176.870 -0.147 0.000 1.084 326 L CA 2.068 56.856 54.840 -0.087 0.000 0.787 326 L CB -0.966 40.870 42.059 -0.372 0.000 0.893 326 L HN 0.471 nan 8.230 nan 0.000 0.440 327 Q N -0.776 118.945 119.800 -0.132 0.000 2.077 327 Q HA -0.241 4.211 4.340 0.187 0.000 0.206 327 Q C 2.273 178.210 176.000 -0.105 0.000 0.989 327 Q CA 2.503 58.216 55.803 -0.149 0.000 0.853 327 Q CB -0.205 28.462 28.738 -0.119 0.000 0.907 327 Q HN 0.649 nan 8.270 nan 0.000 0.418 328 L N -0.525 120.712 121.223 0.024 0.000 2.044 328 L HA -0.180 4.272 4.340 0.187 0.000 0.205 328 L C 2.567 179.560 176.870 0.204 0.000 1.075 328 L CA 1.138 56.046 54.840 0.114 0.000 0.747 328 L CB -0.861 41.353 42.059 0.258 0.000 0.903 328 L HN 0.279 nan 8.230 nan 0.000 0.435 329 Y N 1.600 122.006 120.300 0.176 0.000 2.114 329 Y HA -0.277 4.385 4.550 0.186 0.000 0.282 329 Y C 2.700 178.721 175.900 0.202 0.000 1.165 329 Y CA 1.483 59.754 58.100 0.286 0.000 1.148 329 Y CB -0.480 38.097 38.460 0.195 0.000 0.972 329 Y HN 0.052 nan 8.280 nan 0.000 0.504 330 R N -0.053 120.409 120.500 -0.063 0.000 2.120 330 R HA -0.177 4.275 4.340 0.187 0.000 0.234 330 R C 2.206 178.434 176.300 -0.121 0.000 1.123 330 R CA 1.644 57.637 56.100 -0.178 0.000 0.975 330 R CB -0.310 29.806 30.300 -0.307 0.000 0.866 330 R HN 0.583 nan 8.270 nan 0.000 0.446 331 Q N -0.864 118.807 119.800 -0.216 0.000 2.119 331 Q HA -0.164 4.288 4.340 0.187 0.000 0.201 331 Q C 1.812 177.669 176.000 -0.238 0.000 0.972 331 Q CA 1.391 56.946 55.803 -0.413 0.000 0.847 331 Q CB -0.110 28.076 28.738 -0.920 0.000 0.903 331 Q HN 0.447 nan 8.270 nan 0.000 0.433 332 W N 0.585 121.985 121.300 0.166 0.000 2.381 332 W HA -0.145 4.625 4.660 0.183 0.000 0.301 332 W C 2.433 179.030 176.519 0.129 0.000 1.205 332 W CA 1.113 58.623 57.345 0.274 0.000 1.285 332 W CB -0.281 29.407 29.460 0.381 0.000 1.133 332 W HN 0.056 nan 8.180 nan 0.000 0.521 333 T N 0.009 114.720 114.554 0.263 0.000 2.788 333 T HA -0.200 4.262 4.350 0.187 0.000 0.268 333 T C 1.057 175.719 174.700 -0.063 0.000 1.044 333 T CA 1.751 63.867 62.100 0.027 0.000 1.139 333 T CB -0.483 68.367 68.868 -0.029 0.000 0.867 333 T HN 0.035 nan 8.240 nan 0.000 0.454 334 D N 0.932 121.310 120.400 -0.037 0.000 2.104 334 D HA -0.043 4.709 4.640 0.187 0.000 0.194 334 D C 2.417 178.676 176.300 -0.069 0.000 0.994 334 D CA 1.033 54.994 54.000 -0.065 0.000 0.830 334 D CB -0.203 40.543 40.800 -0.090 0.000 0.959 334 D HN 0.324 nan 8.370 nan 0.000 0.452 335 R N -0.111 120.384 120.500 -0.008 0.000 2.073 335 R HA -0.086 4.366 4.340 0.187 0.000 0.234 335 R C 2.341 178.643 176.300 0.002 0.000 1.134 335 R CA 0.640 56.776 56.100 0.060 0.000 0.952 335 R CB -0.391 30.031 30.300 0.203 0.000 0.850 335 R HN 0.137 nan 8.270 nan 0.000 0.433 336 I N 0.584 121.088 120.570 -0.109 0.000 2.286 336 I HA -0.241 4.042 4.170 0.187 0.000 0.248 336 I C 1.842 177.533 176.117 -0.711 0.000 1.115 336 I CA 1.533 62.498 61.300 -0.559 0.000 1.392 336 I CB -0.015 37.387 38.000 -0.995 0.000 1.065 336 I HN 0.138 nan 8.210 nan 0.000 0.418 337 M N -0.353 118.892 119.600 -0.592 0.000 2.175 337 M HA -0.186 4.407 4.480 0.187 0.000 0.264 337 M C 2.219 178.170 176.300 -0.581 0.000 1.063 337 M CA 1.458 56.316 55.300 -0.736 0.000 1.119 337 M CB -1.399 30.844 32.600 -0.595 0.000 1.377 337 M HN 0.390 nan 8.290 nan 0.000 0.415 338 E N 0.350 120.413 120.200 -0.229 0.000 2.077 338 E HA -0.231 4.232 4.350 0.187 0.000 0.193 338 E C 1.952 178.567 176.600 0.024 0.000 0.989 338 E CA 1.346 57.735 56.400 -0.019 0.000 0.800 338 E CB 0.056 29.767 29.700 0.018 0.000 0.746 338 E HN 0.564 nan 8.360 nan 0.000 0.452 339 E N -0.683 119.517 120.200 -0.001 0.000 2.051 339 E HA -0.181 4.281 4.350 0.187 0.000 0.192 339 E C 1.837 178.545 176.600 0.180 0.000 0.991 339 E CA 0.966 57.423 56.400 0.094 0.000 0.799 339 E CB -0.087 29.684 29.700 0.119 0.000 0.748 339 E HN 0.223 nan 8.360 nan 0.000 0.449 340 F N 0.261 120.109 119.950 -0.170 0.000 2.069 340 F HA -0.193 4.444 4.527 0.183 0.000 0.298 340 F C 2.134 177.914 175.800 -0.034 0.000 1.113 340 F CA 1.001 58.895 58.000 -0.175 0.000 1.214 340 F CB -1.002 37.789 39.000 -0.349 0.000 0.978 340 F HN 0.116 nan 8.300 nan 0.000 0.474 341 F N 0.293 120.336 119.950 0.155 0.000 2.202 341 F HA -0.161 4.478 4.527 0.186 0.000 0.301 341 F C 2.447 178.253 175.800 0.010 0.000 1.082 341 F CA 0.944 58.969 58.000 0.043 0.000 1.313 341 F CB -1.326 37.677 39.000 0.006 0.000 1.024 341 F HN -0.055 nan 8.300 nan 0.000 0.495 342 R N -0.160 120.461 120.500 0.201 0.000 2.081 342 R HA -0.195 4.257 4.340 0.187 0.000 0.235 342 R C 2.223 178.544 176.300 0.035 0.000 1.131 342 R CA 1.473 57.632 56.100 0.099 0.000 0.960 342 R CB -0.554 29.791 30.300 0.075 0.000 0.856 342 R HN 0.358 nan 8.270 nan 0.000 0.436 343 Q N -0.056 119.745 119.800 0.001 0.000 2.084 343 Q HA -0.134 4.319 4.340 0.187 0.000 0.202 343 Q C 2.029 178.013 176.000 -0.027 0.000 0.978 343 Q CA 1.844 57.574 55.803 -0.122 0.000 0.844 343 Q CB -0.248 28.385 28.738 -0.175 0.000 0.898 343 Q HN 0.430 nan 8.270 nan 0.000 0.426 344 G N 0.491 109.319 108.800 0.046 0.000 2.442 344 G HA2 -0.274 3.798 3.960 0.187 0.000 0.219 344 G HA3 -0.274 3.798 3.960 0.187 0.000 0.219 344 G C 0.933 175.875 174.900 0.069 0.000 1.141 344 G CA 1.068 46.212 45.100 0.073 0.000 0.763 344 G HN 0.385 nan 8.290 nan 0.000 0.554 345 D N 0.462 120.897 120.400 0.059 0.000 2.117 345 D HA -0.043 4.709 4.640 0.187 0.000 0.197 345 D C 2.724 179.066 176.300 0.071 0.000 0.987 345 D CA 0.606 54.637 54.000 0.051 0.000 0.829 345 D CB -0.208 40.616 40.800 0.040 0.000 0.961 345 D HN 0.284 nan 8.370 nan 0.000 0.460 346 R N 0.652 121.194 120.500 0.071 0.000 2.075 346 R HA -0.064 4.388 4.340 0.187 0.000 0.232 346 R C 2.227 178.645 176.300 0.196 0.000 1.126 346 R CA 0.964 57.135 56.100 0.118 0.000 0.963 346 R CB -0.163 30.181 30.300 0.073 0.000 0.858 346 R HN 0.327 nan 8.270 nan 0.000 0.435 347 E N 0.313 120.642 120.200 0.215 0.000 2.077 347 E HA -0.192 4.270 4.350 0.187 0.000 0.193 347 E C 2.114 178.786 176.600 0.120 0.000 0.989 347 E CA 0.802 57.332 56.400 0.216 0.000 0.800 347 E CB -0.090 29.727 29.700 0.194 0.000 0.746 347 E HN 0.224 nan 8.360 nan 0.000 0.452 348 R N 1.403 121.962 120.500 0.098 0.000 2.073 348 R HA -0.192 4.260 4.340 0.187 0.000 0.234 348 R C 2.281 178.621 176.300 0.068 0.000 1.134 348 R CA 1.915 58.061 56.100 0.077 0.000 0.952 348 R CB -0.133 30.215 30.300 0.079 0.000 0.850 348 R HN 0.278 nan 8.270 nan 0.000 0.433 349 E N -0.162 120.082 120.200 0.073 0.000 2.268 349 E HA -0.197 4.265 4.350 0.187 0.000 0.195 349 E C 1.554 178.187 176.600 0.055 0.000 0.995 349 E CA 0.936 57.373 56.400 0.061 0.000 0.836 349 E CB -0.085 29.653 29.700 0.063 0.000 0.763 349 E HN 0.331 nan 8.360 nan 0.000 0.491 350 R N -0.066 120.474 120.500 0.066 0.000 2.317 350 R HA 0.139 4.591 4.340 0.187 0.000 0.208 350 R C 0.985 177.301 176.300 0.026 0.000 0.914 350 R CA 0.458 56.586 56.100 0.046 0.000 1.060 350 R CB 0.526 30.859 30.300 0.055 0.000 1.015 350 R HN 0.358 nan 8.270 nan 0.000 0.498 351 G N 1.272 110.091 108.800 0.032 0.000 2.147 351 G HA2 -0.303 3.769 3.960 0.187 0.000 0.244 351 G HA3 -0.303 3.769 3.960 0.187 0.000 0.244 351 G C 0.077 174.986 174.900 0.014 0.000 1.005 351 G CA 0.144 45.256 45.100 0.020 0.000 0.713 351 G HN 0.160 nan 8.290 nan 0.000 0.515 352 M N -0.004 119.610 119.600 0.024 0.000 2.444 352 M HA 0.403 4.996 4.480 0.187 0.000 0.319 352 M C 0.672 176.990 176.300 0.030 0.000 1.183 352 M CA -0.594 54.715 55.300 0.014 0.000 1.032 352 M CB 1.087 33.694 32.600 0.011 0.000 1.569 352 M HN 0.260 nan 8.290 nan 0.000 0.468 353 E N 1.866 122.077 120.200 0.019 0.000 2.415 353 E HA 0.129 4.591 4.350 0.187 0.000 0.263 353 E C -1.142 175.481 176.600 0.038 0.000 0.995 353 E CA -0.162 56.252 56.400 0.023 0.000 0.915 353 E CB 0.568 30.275 29.700 0.012 0.000 0.951 353 E HN 0.457 nan 8.360 nan 0.000 0.449 354 I N 3.581 124.175 120.570 0.040 0.000 2.496 354 I HA -0.001 4.281 4.170 0.187 0.000 0.285 354 I C 0.602 176.732 176.117 0.022 0.000 1.080 354 I CA -0.185 61.142 61.300 0.045 0.000 1.404 354 I CB 1.240 39.271 38.000 0.051 0.000 1.403 354 I HN 0.450 nan 8.210 nan 0.000 0.539 355 S N 7.118 122.820 115.700 0.004 0.000 2.579 355 S HA 0.158 4.740 4.470 0.187 0.000 0.275 355 S C -2.176 172.383 174.600 -0.067 0.000 1.345 355 S CA -0.843 57.329 58.200 -0.047 0.000 1.031 355 S CB 0.312 63.451 63.200 -0.102 0.000 0.892 355 S HN 0.406 nan 8.310 nan 0.000 0.529 356 P HA 0.059 nan 4.420 nan 0.000 0.261 356 P C 0.255 177.511 177.300 -0.074 0.000 1.183 356 P CA 0.671 63.739 63.100 -0.053 0.000 0.761 356 P CB -0.012 31.656 31.700 -0.053 0.000 0.785 357 M N -0.101 119.514 119.600 0.024 0.000 2.939 357 M HA -0.248 4.344 4.480 0.187 0.000 0.194 357 M C 0.107 176.512 176.300 0.176 0.000 0.617 357 M CA 0.617 55.986 55.300 0.115 0.000 0.734 357 M CB -2.656 30.040 32.600 0.159 0.000 2.637 357 M HN 0.346 nan 8.290 nan 0.000 0.316 358 C N 0.066 119.426 119.300 0.099 0.000 3.038 358 C HA 0.196 4.768 4.460 0.187 0.000 0.279 358 C C 0.916 176.078 174.990 0.288 0.000 1.276 358 C CA -0.210 58.917 59.018 0.182 0.000 1.697 358 C CB -0.382 27.346 27.740 -0.020 0.000 2.032 358 C HN 0.438 nan 8.230 nan 0.000 0.636 359 D N 1.737 122.261 120.400 0.207 0.000 2.411 359 D HA 0.086 4.838 4.640 0.187 0.000 0.225 359 D C 1.280 177.530 176.300 -0.084 0.000 1.156 359 D CA -0.009 54.031 54.000 0.067 0.000 0.874 359 D CB 0.717 41.555 40.800 0.064 0.000 1.034 359 D HN 0.497 nan 8.370 nan 0.000 0.502 360 K N 3.063 123.161 120.400 -0.503 0.000 2.362 360 K HA -0.134 4.298 4.320 0.187 0.000 0.200 360 K C 0.619 176.845 176.600 -0.623 0.000 1.046 360 K CA 0.924 56.532 56.287 -1.131 0.000 0.952 360 K CB -0.007 31.662 32.500 -1.384 0.000 0.753 360 K HN 0.401 nan 8.250 nan 0.000 0.466 361 H N 0.697 119.648 119.070 -0.199 0.000 2.548 361 H HA 0.182 4.850 4.556 0.188 0.000 0.265 361 H C -0.082 175.209 175.328 -0.061 0.000 0.969 361 H CA 0.256 56.235 56.048 -0.114 0.000 1.155 361 H CB 0.367 30.084 29.762 -0.075 0.000 1.394 361 H HN 0.274 nan 8.280 nan 0.000 0.570 362 N N 0.467 119.191 118.700 0.040 0.000 2.666 362 N HA 0.287 5.140 4.740 0.187 0.000 0.253 362 N C -0.847 174.705 175.510 0.071 0.000 1.621 362 N CA -0.023 53.060 53.050 0.055 0.000 0.785 362 N CB 1.288 39.812 38.487 0.062 0.000 1.332 362 N HN 0.098 nan 8.380 nan 0.000 0.514 363 A N -0.127 122.741 122.820 0.078 0.000 2.299 363 A HA 0.834 5.266 4.320 0.187 0.000 0.332 363 A C 0.137 177.799 177.584 0.131 0.000 1.131 363 A CA -0.453 51.683 52.037 0.166 0.000 0.844 363 A CB 0.960 20.159 19.000 0.333 0.000 1.251 363 A HN 0.090 nan 8.150 nan 0.000 0.486 364 S N 0.556 116.337 115.700 0.135 0.000 2.407 364 S HA 0.190 4.772 4.470 0.187 0.000 0.166 364 S C 0.902 175.554 174.600 0.087 0.000 1.445 364 S CA -0.382 57.876 58.200 0.096 0.000 1.260 364 S CB 0.522 63.765 63.200 0.072 0.000 1.401 364 S HN 0.526 nan 8.310 nan 0.000 0.379 365 V N 1.455 121.433 119.914 0.106 0.000 2.277 365 V HA -0.289 3.943 4.120 0.187 0.000 0.253 365 V C 2.264 178.373 176.094 0.025 0.000 1.067 365 V CA 2.169 64.502 62.300 0.056 0.000 1.047 365 V CB -0.500 31.380 31.823 0.096 0.000 0.649 365 V HN 0.515 nan 8.190 nan 0.000 0.447 366 E N -0.018 120.241 120.200 0.099 0.000 2.028 366 E HA -0.169 4.293 4.350 0.187 0.000 0.190 366 E C 2.228 178.879 176.600 0.084 0.000 0.984 366 E CA 1.174 57.667 56.400 0.156 0.000 0.800 366 E CB -0.353 29.457 29.700 0.183 0.000 0.758 366 E HN 0.532 nan 8.360 nan 0.000 0.448 367 K N 0.289 120.734 120.400 0.075 0.000 2.097 367 K HA -0.079 4.353 4.320 0.187 0.000 0.206 367 K C 2.070 178.710 176.600 0.065 0.000 1.049 367 K CA 1.336 57.666 56.287 0.072 0.000 0.933 367 K CB -0.018 32.519 32.500 0.063 0.000 0.717 367 K HN -0.014 nan 8.250 nan 0.000 0.442 368 S N 0.540 116.264 115.700 0.040 0.000 2.402 368 S HA -0.085 4.497 4.470 0.187 0.000 0.229 368 S C 1.732 176.363 174.600 0.050 0.000 1.021 368 S CA 0.747 58.968 58.200 0.035 0.000 0.974 368 S CB -0.065 63.137 63.200 0.004 0.000 0.800 368 S HN 0.311 nan 8.310 nan 0.000 0.484 369 Q N 0.779 120.557 119.800 -0.036 0.000 2.079 369 Q HA 0.021 4.473 4.340 0.187 0.000 0.200 369 Q C 2.407 178.483 176.000 0.127 0.000 0.974 369 Q CA 0.974 56.752 55.803 -0.042 0.000 0.840 369 Q CB -0.785 27.596 28.738 -0.595 0.000 0.898 369 Q HN 0.408 nan 8.270 nan 0.000 0.430 370 V N 0.232 120.216 119.914 0.116 0.000 2.358 370 V HA -0.175 4.057 4.120 0.187 0.000 0.246 370 V C 2.255 178.468 176.094 0.199 0.000 1.047 370 V CA 1.909 64.312 62.300 0.171 0.000 1.035 370 V CB -1.066 30.853 31.823 0.160 0.000 0.658 370 V HN 0.431 nan 8.190 nan 0.000 0.452 371 G N -0.921 108.003 108.800 0.205 0.000 2.408 371 G HA2 -0.281 3.791 3.960 0.187 0.000 0.217 371 G HA3 -0.281 3.791 3.960 0.187 0.000 0.217 371 G C 1.522 176.621 174.900 0.332 0.000 1.150 371 G CA 0.805 46.062 45.100 0.262 0.000 0.776 371 G HN 0.463 nan 8.290 nan 0.000 0.542 372 F N 1.660 121.673 119.950 0.105 0.000 2.134 372 F HA 0.016 4.656 4.527 0.188 0.000 0.299 372 F C 2.379 178.255 175.800 0.127 0.000 1.097 372 F CA 0.869 58.923 58.000 0.089 0.000 1.264 372 F CB -0.292 38.726 39.000 0.031 0.000 1.001 372 F HN 0.113 nan 8.300 nan 0.000 0.479 373 I N -0.069 120.527 120.570 0.043 0.000 2.252 373 I HA -0.252 4.030 4.170 0.187 0.000 0.245 373 I C 2.040 178.188 176.117 0.050 0.000 1.102 373 I CA 1.317 62.586 61.300 -0.051 0.000 1.385 373 I CB -0.592 37.447 38.000 0.064 0.000 1.064 373 I HN 0.057 nan 8.210 nan 0.000 0.414 374 D N 0.480 120.954 120.400 0.122 0.000 2.097 374 D HA -0.181 4.571 4.640 0.187 0.000 0.197 374 D C 1.863 178.164 176.300 0.001 0.000 0.984 374 D CA 1.788 55.817 54.000 0.049 0.000 0.826 374 D CB -0.222 40.627 40.800 0.083 0.000 0.973 374 D HN 0.361 nan 8.370 nan 0.000 0.460 375 Y N -0.458 119.885 120.300 0.071 0.000 2.482 375 Y HA 0.288 4.950 4.550 0.187 0.000 0.270 375 Y C 1.938 177.901 175.900 0.105 0.000 1.152 375 Y CA 0.020 58.177 58.100 0.095 0.000 1.292 375 Y CB 0.470 38.992 38.460 0.103 0.000 1.070 375 Y HN -0.043 nan 8.280 nan 0.000 0.528 376 I N -2.812 117.857 120.570 0.165 0.000 3.664 376 I HA -0.061 4.221 4.170 0.187 0.000 0.251 376 I C 1.747 177.837 176.117 -0.045 0.000 1.134 376 I CA 0.203 61.529 61.300 0.043 0.000 1.520 376 I CB -0.334 37.620 38.000 -0.078 0.000 1.638 376 I HN -0.285 nan 8.210 nan 0.000 0.431 377 V N 1.737 121.492 119.914 -0.265 0.000 2.233 377 V HA -0.341 3.891 4.120 0.187 0.000 0.247 377 V C 2.489 178.644 176.094 0.103 0.000 1.050 377 V CA 2.504 64.711 62.300 -0.156 0.000 1.010 377 V CB -1.097 30.490 31.823 -0.394 0.000 0.637 377 V HN 0.508 nan 8.190 nan 0.000 0.444 378 H N 1.180 120.253 119.070 0.005 0.000 2.319 378 H HA -0.126 4.542 4.556 0.187 0.000 0.299 378 H C 0.086 175.473 175.328 0.098 0.000 1.092 378 H CA 2.486 58.573 56.048 0.065 0.000 1.302 378 H CB -1.184 28.590 29.762 0.019 0.000 1.373 378 H HN 0.319 nan 8.280 nan 0.000 0.497 379 P HA -0.151 nan 4.420 nan 0.000 0.216 379 P C 1.923 179.266 177.300 0.071 0.000 1.150 379 P CA 1.070 64.256 63.100 0.142 0.000 0.837 379 P CB -0.164 31.634 31.700 0.163 0.000 0.786 380 L N -1.935 119.342 121.223 0.091 0.000 2.049 380 L HA 0.046 4.498 4.340 0.187 0.000 0.203 380 L C 1.942 178.779 176.870 -0.055 0.000 1.074 380 L CA 1.611 56.467 54.840 0.028 0.000 0.749 380 L CB -1.480 40.597 42.059 0.030 0.000 0.907 380 L HN -0.079 nan 8.230 nan 0.000 0.439 381 W N 0.517 121.773 121.300 -0.074 0.000 2.611 381 W HA -0.089 4.682 4.660 0.185 0.000 0.251 381 W C 2.485 178.936 176.519 -0.113 0.000 1.265 381 W CA 1.140 58.435 57.345 -0.084 0.000 1.295 381 W CB 0.073 29.449 29.460 -0.140 0.000 1.129 381 W HN 0.387 nan 8.180 nan 0.000 0.630 382 E N -0.577 119.613 120.200 -0.016 0.000 2.076 382 E HA -0.140 4.322 4.350 0.187 0.000 0.190 382 E C 1.888 178.487 176.600 -0.001 0.000 0.979 382 E CA 1.710 58.050 56.400 -0.100 0.000 0.807 382 E CB -0.083 29.483 29.700 -0.224 0.000 0.761 382 E HN 0.035 nan 8.360 nan 0.000 0.454 383 T N 0.716 115.281 114.554 0.018 0.000 2.777 383 T HA -0.167 4.295 4.350 0.187 0.000 0.266 383 T C 1.273 175.994 174.700 0.034 0.000 1.040 383 T CA 1.050 63.163 62.100 0.022 0.000 1.141 383 T CB -0.466 68.417 68.868 0.025 0.000 0.868 383 T HN 0.419 nan 8.240 nan 0.000 0.444 384 W N 2.094 123.320 121.300 -0.123 0.000 2.374 384 W HA -0.040 4.734 4.660 0.190 0.000 0.288 384 W C 2.431 178.912 176.519 -0.062 0.000 1.218 384 W CA 0.997 58.257 57.345 -0.143 0.000 1.245 384 W CB -0.405 28.853 29.460 -0.336 0.000 1.126 384 W HN 0.307 nan 8.180 nan 0.000 0.545 385 A N 0.528 123.426 122.820 0.130 0.000 1.933 385 A HA -0.233 4.199 4.320 0.187 0.000 0.218 385 A C 1.766 179.290 177.584 -0.099 0.000 1.175 385 A CA 2.029 54.086 52.037 0.034 0.000 0.628 385 A CB -0.887 18.130 19.000 0.029 0.000 0.814 385 A HN 0.202 nan 8.150 nan 0.000 0.444 386 D N -0.437 119.920 120.400 -0.071 0.000 2.075 386 D HA -0.109 4.643 4.640 0.187 0.000 0.196 386 D C 1.920 178.167 176.300 -0.089 0.000 0.985 386 D CA 1.270 55.254 54.000 -0.027 0.000 0.834 386 D CB -0.607 40.188 40.800 -0.009 0.000 0.987 386 D HN 0.241 nan 8.370 nan 0.000 0.452 387 L N 1.124 122.217 121.223 -0.218 0.000 2.030 387 L HA -0.217 4.236 4.340 0.187 0.000 0.222 387 L C 2.042 178.692 176.870 -0.366 0.000 1.082 387 L CA 1.742 56.375 54.840 -0.345 0.000 0.785 387 L CB -0.590 41.116 42.059 -0.588 0.000 0.895 387 L HN 0.087 nan 8.230 nan 0.000 0.439 388 V N -3.000 116.632 119.914 -0.469 0.000 3.252 388 V HA 0.137 4.369 4.120 0.187 0.000 0.350 388 V C 0.970 176.989 176.094 -0.126 0.000 1.329 388 V CA -0.602 61.508 62.300 -0.317 0.000 1.258 388 V CB -1.497 30.110 31.823 -0.360 0.000 1.208 388 V HN 0.402 nan 8.190 nan 0.000 0.462 389 H N 4.744 123.708 119.070 -0.176 0.000 3.232 389 H HA 0.071 4.739 4.556 0.187 0.000 0.276 389 H C -2.056 173.220 175.328 -0.086 0.000 0.882 389 H CA 0.121 56.103 56.048 -0.110 0.000 1.415 389 H CB 1.147 30.851 29.762 -0.097 0.000 1.405 389 H HN 0.483 nan 8.280 nan 0.000 0.543 390 P HA 0.147 nan 4.420 nan 0.000 0.333 390 P C -0.004 177.216 177.300 -0.134 0.000 1.674 390 P CA -0.305 62.636 63.100 -0.264 0.000 1.389 390 P CB 0.380 31.785 31.700 -0.492 0.000 2.003 391 D N 0.900 121.254 120.400 -0.077 0.000 2.371 391 D HA 0.014 4.766 4.640 0.187 0.000 0.221 391 D C 1.531 177.787 176.300 -0.073 0.000 0.986 391 D CA 0.745 54.711 54.000 -0.057 0.000 0.899 391 D CB 0.123 40.906 40.800 -0.029 0.000 0.902 391 D HN 0.185 nan 8.370 nan 0.000 0.530 392 A N -0.483 122.292 122.820 -0.076 0.000 2.345 392 A HA 0.117 4.549 4.320 0.187 0.000 0.225 392 A C 1.785 179.299 177.584 -0.118 0.000 1.243 392 A CA -0.104 51.895 52.037 -0.064 0.000 0.875 392 A CB -0.039 19.026 19.000 0.108 0.000 0.929 392 A HN 0.076 nan 8.150 nan 0.000 0.502 393 Q N 1.391 121.114 119.800 -0.128 0.000 2.002 393 Q HA -0.191 4.261 4.340 0.187 0.000 0.204 393 Q C 1.162 177.093 176.000 -0.115 0.000 0.988 393 Q CA 2.381 58.111 55.803 -0.122 0.000 0.843 393 Q CB -0.310 28.359 28.738 -0.115 0.000 0.908 393 Q HN 0.632 nan 8.270 nan 0.000 0.420 394 D N -0.409 119.922 120.400 -0.114 0.000 2.228 394 D HA -0.165 4.588 4.640 0.187 0.000 0.203 394 D C 1.843 178.051 176.300 -0.152 0.000 0.988 394 D CA 1.165 55.104 54.000 -0.101 0.000 0.864 394 D CB -0.048 40.705 40.800 -0.079 0.000 0.928 394 D HN 0.404 nan 8.370 nan 0.000 0.469 395 I N 0.388 120.800 120.570 -0.264 0.000 2.333 395 I HA -0.138 4.144 4.170 0.187 0.000 0.246 395 I C 2.555 178.480 176.117 -0.319 0.000 1.106 395 I CA 0.329 61.375 61.300 -0.423 0.000 1.411 395 I CB -0.025 37.516 38.000 -0.765 0.000 1.082 395 I HN -0.037 nan 8.210 nan 0.000 0.420 396 L N 0.625 121.721 121.223 -0.211 0.000 2.093 396 L HA -0.207 4.245 4.340 0.187 0.000 0.208 396 L C 2.041 178.871 176.870 -0.067 0.000 1.085 396 L CA 1.541 56.303 54.840 -0.130 0.000 0.755 396 L CB -0.359 41.660 42.059 -0.067 0.000 0.904 396 L HN 0.284 nan 8.230 nan 0.000 0.435 397 D N -0.863 119.502 120.400 -0.057 0.000 2.144 397 D HA -0.156 4.596 4.640 0.187 0.000 0.200 397 D C 2.005 178.302 176.300 -0.004 0.000 0.978 397 D CA 1.662 55.654 54.000 -0.015 0.000 0.833 397 D CB -0.097 40.694 40.800 -0.016 0.000 0.961 397 D HN 0.324 nan 8.370 nan 0.000 0.470 398 T N 1.534 116.068 114.554 -0.033 0.000 2.788 398 T HA -0.130 4.332 4.350 0.187 0.000 0.268 398 T C 1.945 176.645 174.700 0.000 0.000 1.044 398 T CA 0.411 62.507 62.100 -0.007 0.000 1.139 398 T CB -0.244 68.618 68.868 -0.010 0.000 0.867 398 T HN 0.036 nan 8.240 nan 0.000 0.454 399 L N 1.529 122.718 121.223 -0.057 0.000 2.017 399 L HA -0.063 4.389 4.340 0.187 0.000 0.208 399 L C 2.265 179.175 176.870 0.067 0.000 1.073 399 L CA 1.856 56.667 54.840 -0.048 0.000 0.745 399 L CB -0.643 41.348 42.059 -0.114 0.000 0.894 399 L HN 0.237 nan 8.230 nan 0.000 0.432 400 E N -0.632 119.619 120.200 0.085 0.000 2.110 400 E HA -0.212 4.250 4.350 0.187 0.000 0.193 400 E C 1.799 178.469 176.600 0.116 0.000 0.988 400 E CA 1.241 57.706 56.400 0.108 0.000 0.804 400 E CB -0.160 29.597 29.700 0.096 0.000 0.745 400 E HN 0.561 nan 8.360 nan 0.000 0.458 401 D N 0.583 121.046 120.400 0.106 0.000 2.084 401 D HA -0.117 4.635 4.640 0.187 0.000 0.194 401 D C 1.680 178.101 176.300 0.201 0.000 0.990 401 D CA 0.775 54.851 54.000 0.127 0.000 0.826 401 D CB -0.350 40.506 40.800 0.093 0.000 0.971 401 D HN 0.091 nan 8.370 nan 0.000 0.453 402 N N 0.949 119.782 118.700 0.221 0.000 2.149 402 N HA -0.165 4.687 4.740 0.187 0.000 0.188 402 N C 1.821 177.629 175.510 0.496 0.000 1.019 402 N CA 0.505 53.775 53.050 0.365 0.000 0.857 402 N CB -0.228 38.529 38.487 0.449 0.000 0.997 402 N HN 0.285 nan 8.380 nan 0.000 0.426 403 R N 1.352 122.071 120.500 0.365 0.000 2.080 403 R HA -0.121 4.331 4.340 0.187 0.000 0.236 403 R C 1.500 177.984 176.300 0.306 0.000 1.137 403 R CA 1.273 57.576 56.100 0.339 0.000 0.943 403 R CB 0.021 30.439 30.300 0.198 0.000 0.846 403 R HN 0.070 nan 8.270 nan 0.000 0.431 404 E N 0.042 120.378 120.200 0.226 0.000 2.070 404 E HA -0.255 4.207 4.350 0.187 0.000 0.197 404 E C 1.491 178.195 176.600 0.174 0.000 1.004 404 E CA 1.401 57.899 56.400 0.164 0.000 0.805 404 E CB -0.613 29.165 29.700 0.129 0.000 0.744 404 E HN 0.499 nan 8.360 nan 0.000 0.451 405 W N 0.714 122.051 121.300 0.061 0.000 2.315 405 W HA -0.295 4.477 4.660 0.187 0.000 0.323 405 W C 2.199 178.692 176.519 -0.043 0.000 1.233 405 W CA 1.998 59.330 57.345 -0.021 0.000 1.267 405 W CB -0.826 28.586 29.460 -0.080 0.000 1.160 405 W HN 0.087 nan 8.180 nan 0.000 0.474 406 Y N 0.586 121.084 120.300 0.329 0.000 2.207 406 Y HA -0.331 4.331 4.550 0.187 0.000 0.287 406 Y C 2.699 178.568 175.900 -0.052 0.000 1.156 406 Y CA 2.371 60.542 58.100 0.117 0.000 1.182 406 Y CB -1.301 37.319 38.460 0.267 0.000 0.979 406 Y HN 0.123 nan 8.280 nan 0.000 0.521 407 Q N 0.516 120.413 119.800 0.162 0.000 2.112 407 Q HA -0.192 4.260 4.340 0.187 0.000 0.206 407 Q C 2.128 178.108 176.000 -0.033 0.000 0.987 407 Q CA 2.363 58.211 55.803 0.074 0.000 0.858 407 Q CB -0.500 28.286 28.738 0.080 0.000 0.905 407 Q HN 0.413 nan 8.270 nan 0.000 0.420 408 S N -2.272 113.351 115.700 -0.128 0.000 2.607 408 S HA 0.014 4.596 4.470 0.187 0.000 0.224 408 S C 1.241 175.671 174.600 -0.283 0.000 0.969 408 S CA 0.762 58.847 58.200 -0.193 0.000 0.927 408 S CB -0.002 63.063 63.200 -0.225 0.000 0.772 408 S HN 0.358 nan 8.310 nan 0.000 0.533 409 T N 1.691 116.053 114.554 -0.321 0.000 3.022 409 T HA 0.389 4.852 4.350 0.187 0.000 0.250 409 T C 0.492 175.117 174.700 -0.125 0.000 1.060 409 T CA -0.310 61.591 62.100 -0.331 0.000 1.013 409 T CB -0.162 68.380 68.868 -0.544 0.000 0.982 409 T HN 0.408 nan 8.240 nan 0.000 0.508 410 I N 4.900 125.435 120.570 -0.057 0.000 2.581 410 I HA 0.107 4.390 4.170 0.187 0.000 0.285 410 I C -1.475 174.633 176.117 -0.015 0.000 1.129 410 I CA -1.707 59.592 61.300 -0.002 0.000 1.397 410 I CB 0.219 38.233 38.000 0.024 0.000 1.399 410 I HN 0.069 nan 8.210 nan 0.000 0.537 411 P HA -0.077 nan 4.420 nan 0.000 0.272 411 P C -0.105 177.194 177.300 -0.002 0.000 1.243 411 P CA -0.164 62.931 63.100 -0.007 0.000 0.803 411 P CB 0.498 32.200 31.700 0.004 0.000 0.974 412 Q N 0.000 119.798 119.800 -0.003 0.000 2.315 412 Q HA 0.000 4.452 4.340 0.187 0.000 0.214 412 Q CA 0.000 55.803 55.803 0.000 0.000 1.022 412 Q CB 0.000 28.742 28.738 0.007 0.000 1.108 412 Q HN 0.000 nan 8.270 nan 0.000 0.481