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 1sp8_1_C DATA FIRST_RESID 37 DATA SEQUENCE FNPRSDRFHT LAFHHVELWC ADAASAAGRF SFGLGAPLAA RSDLSTGNSA DATA SEQUENCE HASLLLRSGS LSFLFTAPYA HGADAATAAL PSFSAAAARR FAADHGLAVR DATA SEQUENCE AVALRVADAE DAFRASVAAG ARPAFGPVDL GRGFRLAEVE LYGDVVLRYV DATA SEQUENCE SYPDGAAGEP FLPGFEGVAS PGAADYGLSR FDHIVGNVPE LAPAAAYFAG DATA SEQUENCE FTGFHEFAEF TXXXXXXXXX GLNSMVLANN SENVLLPLNE PVHGTKRRSQ DATA SEQUENCE IQTFLDHHGG PGVQHMALAS DDVLRTLREM QARSAMGGFE FMAPPTSDYY DATA SEQUENCE DGVRRRAGDV LTEAQIKECQ ELGVLVDRDD QGVLLQIFTK PVGDRPTLFL DATA SEQUENCE EIIQRIGCME KDEKGQEYQK GGCGGFGKGN FSQLFKSIED YEKSL 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 37 F HA 0.000 nan 4.527 nan 0.000 0.279 37 F C 0.000 175.692 175.800 -0.180 0.000 0.967 37 F CA 0.000 57.922 58.000 -0.131 0.000 1.383 37 F CB 0.000 38.936 39.000 -0.107 0.000 1.145 38 N N 8.302 126.740 118.700 -0.438 0.000 2.511 38 N HA 0.388 5.128 4.740 -0.000 0.000 0.249 38 N C -2.045 172.906 175.510 -0.931 0.000 0.971 38 N CA -2.265 50.310 53.050 -0.793 0.000 0.938 38 N CB 1.793 40.033 38.487 -0.411 0.000 1.131 38 N HN 0.376 nan 8.380 nan 0.000 0.505 39 P HA 0.008 nan 4.420 nan 0.000 0.241 39 P C -0.573 176.491 177.300 -0.393 0.000 1.191 39 P CA 0.241 62.886 63.100 -0.759 0.000 0.771 39 P CB 0.264 31.564 31.700 -0.667 0.000 0.929 40 R N 0.487 120.728 120.500 -0.432 0.000 3.251 40 R HA -0.092 4.248 4.340 -0.000 0.000 0.249 40 R C 0.434 176.651 176.300 -0.138 0.000 0.949 40 R CA 0.601 56.569 56.100 -0.218 0.000 0.645 40 R CB -2.712 27.497 30.300 -0.153 0.000 1.065 40 R HN 0.417 nan 8.270 nan 0.000 0.452 41 S N -1.541 114.085 115.700 -0.123 0.000 2.685 41 S HA 0.070 4.540 4.470 -0.000 0.000 0.240 41 S C 0.232 174.780 174.600 -0.087 0.000 0.967 41 S CA -0.727 57.416 58.200 -0.095 0.000 1.009 41 S CB 0.384 63.524 63.200 -0.101 0.000 0.776 41 S HN 0.180 nan 8.310 nan 0.000 0.467 42 D N 2.547 122.900 120.400 -0.078 0.000 2.472 42 D HA 0.129 4.769 4.640 -0.000 0.000 0.237 42 D C 1.056 177.247 176.300 -0.182 0.000 1.141 42 D CA 0.112 54.020 54.000 -0.153 0.000 0.875 42 D CB 0.536 41.251 40.800 -0.143 0.000 1.192 42 D HN 0.290 nan 8.370 nan 0.000 0.450 43 R N 0.827 121.169 120.500 -0.263 0.000 2.300 43 R HA 0.154 4.494 4.340 -0.000 0.000 0.199 43 R C -0.185 176.194 176.300 0.132 0.000 0.920 43 R CA 0.225 56.306 56.100 -0.032 0.000 1.046 43 R CB 0.032 30.393 30.300 0.101 0.000 0.984 43 R HN 0.421 nan 8.270 nan 0.000 0.493 44 F N -4.023 115.904 119.950 -0.038 0.000 2.668 44 F HA 0.325 4.852 4.527 -0.000 0.000 0.309 44 F C -0.639 175.194 175.800 0.054 0.000 1.117 44 F CA -2.003 55.978 58.000 -0.031 0.000 0.951 44 F CB 0.459 39.386 39.000 -0.122 0.000 1.323 44 F HN -0.251 nan 8.300 nan 0.000 0.451 45 H N 0.953 120.065 119.070 0.070 0.000 3.015 45 H HA 0.387 4.943 4.556 -0.000 0.000 0.268 45 H C -0.802 174.543 175.328 0.029 0.000 1.113 45 H CA -0.101 55.944 56.048 -0.004 0.000 1.479 45 H CB 0.311 30.071 29.762 -0.003 0.000 1.493 45 H HN 0.682 nan 8.280 nan 0.000 0.486 46 T N 8.475 122.959 114.554 -0.117 0.000 2.910 46 T HA 0.108 4.458 4.350 -0.000 0.000 0.323 46 T C 1.392 175.920 174.700 -0.288 0.000 1.091 46 T CA -0.586 61.430 62.100 -0.139 0.000 0.960 46 T CB 0.293 69.120 68.868 -0.069 0.000 1.024 46 T HN 0.387 nan 8.240 nan 0.000 0.509 47 L N 2.262 123.269 121.223 -0.360 0.000 2.027 47 L HA 0.361 4.701 4.340 -0.000 0.000 0.206 47 L C 1.355 178.140 176.870 -0.142 0.000 1.074 47 L CA 1.255 55.915 54.840 -0.301 0.000 0.745 47 L CB -0.646 41.255 42.059 -0.262 0.000 0.898 47 L HN 0.796 nan 8.230 nan 0.000 0.433 48 A N -3.339 119.422 122.820 -0.098 0.000 2.456 48 A HA 0.441 4.761 4.320 -0.000 0.000 0.294 48 A C -1.401 176.176 177.584 -0.011 0.000 1.057 48 A CA -0.903 51.089 52.037 -0.076 0.000 0.623 48 A CB -0.339 18.687 19.000 0.043 0.000 1.338 48 A HN -0.143 nan 8.150 nan 0.000 0.464 49 F N 1.498 121.494 119.950 0.077 0.000 2.529 49 F HA 0.285 4.811 4.527 -0.000 0.000 0.365 49 F C 1.811 177.709 175.800 0.163 0.000 1.102 49 F CA 1.157 59.202 58.000 0.075 0.000 1.271 49 F CB 0.542 39.591 39.000 0.083 0.000 1.120 49 F HN 0.789 nan 8.300 nan 0.000 0.579 50 H N 2.679 121.915 119.070 0.277 0.000 2.430 50 H HA 0.092 4.648 4.556 -0.000 0.000 0.297 50 H C -0.003 175.563 175.328 0.396 0.000 1.016 50 H CA 1.151 57.391 56.048 0.319 0.000 1.294 50 H CB 0.620 30.578 29.762 0.326 0.000 1.465 50 H HN 0.728 nan 8.280 nan 0.000 0.547 51 H N -2.169 117.039 119.070 0.229 0.000 2.904 51 H HA 0.345 4.901 4.556 -0.000 0.000 0.290 51 H C -1.981 173.258 175.328 -0.148 0.000 1.437 51 H CA -0.630 55.473 56.048 0.092 0.000 1.147 51 H CB 0.889 30.798 29.762 0.246 0.000 1.824 51 H HN -0.025 nan 8.280 nan 0.000 0.505 52 V N 0.834 120.636 119.914 -0.186 0.000 2.638 52 V HA 0.273 4.393 4.120 -0.000 0.000 0.306 52 V C -0.335 175.674 176.094 -0.141 0.000 1.052 52 V CA -0.619 61.473 62.300 -0.347 0.000 0.885 52 V CB 1.831 33.294 31.823 -0.599 0.000 0.999 52 V HN 0.783 nan 8.190 nan 0.000 0.424 53 E N 3.833 123.954 120.200 -0.131 0.000 2.145 53 E HA 0.620 4.970 4.350 -0.000 0.000 0.270 53 E C -1.756 174.709 176.600 -0.225 0.000 0.906 53 E CA -0.686 55.638 56.400 -0.127 0.000 0.761 53 E CB 1.541 31.229 29.700 -0.021 0.000 1.116 53 E HN 0.485 nan 8.360 nan 0.000 0.408 54 L N 4.110 125.176 121.223 -0.261 0.000 2.309 54 L HA 0.450 4.790 4.340 -0.000 0.000 0.282 54 L C -0.735 176.215 176.870 0.133 0.000 1.036 54 L CA -0.461 54.305 54.840 -0.123 0.000 0.806 54 L CB 0.700 42.639 42.059 -0.201 0.000 1.220 54 L HN 0.515 nan 8.230 nan 0.000 0.429 55 W N 2.570 123.814 121.300 -0.094 0.000 2.496 55 W HA 0.682 5.342 4.660 -0.000 0.000 0.327 55 W C -0.122 176.468 176.519 0.117 0.000 1.086 55 W CA -1.042 56.244 57.345 -0.099 0.000 1.222 55 W CB 1.664 30.825 29.460 -0.499 0.000 1.304 55 W HN 0.524 nan 8.180 nan 0.000 0.547 56 C N 1.356 120.813 119.300 0.262 0.000 3.320 56 C HA 0.680 5.140 4.460 -0.000 0.000 0.335 56 C C 0.936 175.987 174.990 0.101 0.000 1.430 56 C CA 0.144 59.296 59.018 0.223 0.000 1.271 56 C CB 1.126 29.002 27.740 0.227 0.000 1.609 56 C HN 0.767 nan 8.230 nan 0.000 0.457 57 A N 0.523 123.400 122.820 0.095 0.000 2.238 57 A HA 0.318 4.638 4.320 -0.000 0.000 0.210 57 A C 0.095 177.695 177.584 0.027 0.000 1.179 57 A CA 1.103 53.164 52.037 0.040 0.000 0.827 57 A CB -0.162 18.869 19.000 0.050 0.000 0.856 57 A HN 0.804 nan 8.150 nan 0.000 0.488 58 D N -1.057 119.375 120.400 0.053 0.000 2.330 58 D HA 0.562 5.202 4.640 -0.000 0.000 0.249 58 D C 0.635 176.967 176.300 0.054 0.000 1.306 58 D CA 0.305 54.329 54.000 0.040 0.000 0.956 58 D CB 0.959 41.788 40.800 0.048 0.000 1.261 58 D HN -0.001 nan 8.370 nan 0.000 0.544 59 A N 2.735 125.576 122.820 0.034 0.000 1.930 59 A HA 0.210 4.530 4.320 -0.000 0.000 0.215 59 A C 2.127 179.706 177.584 -0.008 0.000 1.176 59 A CA 1.438 53.516 52.037 0.068 0.000 0.632 59 A CB -0.325 18.719 19.000 0.072 0.000 0.819 59 A HN 0.562 nan 8.150 nan 0.000 0.445 60 A N -0.370 122.438 122.820 -0.020 0.000 1.883 60 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 60 A C 2.459 180.001 177.584 -0.070 0.000 1.186 60 A CA 2.182 54.192 52.037 -0.045 0.000 0.624 60 A CB -0.958 18.029 19.000 -0.022 0.000 0.822 60 A HN 0.426 nan 8.150 nan 0.000 0.444 61 S N -0.492 115.186 115.700 -0.036 0.000 2.356 61 S HA -0.052 4.418 4.470 -0.000 0.000 0.223 61 S C 2.328 176.903 174.600 -0.041 0.000 1.032 61 S CA 1.308 59.491 58.200 -0.028 0.000 1.005 61 S CB -0.470 62.735 63.200 0.010 0.000 0.867 61 S HN 0.804 nan 8.310 nan 0.000 0.449 62 A N 1.435 124.229 122.820 -0.042 0.000 1.873 62 A HA 0.135 4.455 4.320 -0.000 0.000 0.215 62 A C 2.356 179.659 177.584 -0.467 0.000 1.186 62 A CA 1.717 53.714 52.037 -0.066 0.000 0.616 62 A CB -1.149 17.886 19.000 0.059 0.000 0.823 62 A HN 0.521 nan 8.150 nan 0.000 0.442 63 A N -0.524 121.829 122.820 -0.779 0.000 1.933 63 A HA 0.113 4.433 4.320 -0.000 0.000 0.218 63 A C 2.359 179.722 177.584 -0.370 0.000 1.175 63 A CA 1.974 53.440 52.037 -0.952 0.000 0.628 63 A CB -1.286 17.401 19.000 -0.520 0.000 0.814 63 A HN 0.698 nan 8.150 nan 0.000 0.444 64 G N -0.910 107.767 108.800 -0.206 0.000 2.404 64 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.215 64 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.215 64 G C 1.769 176.629 174.900 -0.066 0.000 1.174 64 G CA 0.812 45.848 45.100 -0.106 0.000 0.780 64 G HN 0.439 nan 8.290 nan 0.000 0.537 65 R N -0.309 120.153 120.500 -0.064 0.000 2.081 65 R HA -0.016 4.324 4.340 -0.000 0.000 0.235 65 R C 2.356 178.585 176.300 -0.119 0.000 1.131 65 R CA 1.142 57.188 56.100 -0.089 0.000 0.960 65 R CB -0.571 29.680 30.300 -0.082 0.000 0.856 65 R HN 0.419 nan 8.270 nan 0.000 0.436 66 F N 0.202 120.044 119.950 -0.181 0.000 2.171 66 F HA -0.199 4.328 4.527 -0.000 0.000 0.300 66 F C 2.944 178.693 175.800 -0.085 0.000 1.090 66 F CA 1.503 59.474 58.000 -0.048 0.000 1.293 66 F CB -0.319 38.652 39.000 -0.049 0.000 1.013 66 F HN 0.102 nan 8.300 nan 0.000 0.486 67 S N -0.107 115.625 115.700 0.053 0.000 2.353 67 S HA -0.279 4.191 4.470 -0.000 0.000 0.222 67 S C 1.979 176.574 174.600 -0.009 0.000 1.035 67 S CA 1.591 59.796 58.200 0.008 0.000 1.025 67 S CB -0.628 62.573 63.200 0.003 0.000 0.902 67 S HN 0.414 nan 8.310 nan 0.000 0.440 68 F N 1.505 121.386 119.950 -0.115 0.000 2.259 68 F HA 0.190 4.717 4.527 -0.000 0.000 0.298 68 F C 2.070 177.844 175.800 -0.044 0.000 1.088 68 F CA 1.329 59.288 58.000 -0.068 0.000 1.358 68 F CB -0.614 38.341 39.000 -0.075 0.000 1.040 68 F HN 0.283 nan 8.300 nan 0.000 0.505 69 G N -0.313 108.420 108.800 -0.112 0.000 2.551 69 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.216 69 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.216 69 G C 1.165 176.098 174.900 0.055 0.000 1.137 69 G CA 0.516 45.465 45.100 -0.251 0.000 0.798 69 G HN 0.327 nan 8.290 nan 0.000 0.536 70 L N -0.278 120.937 121.223 -0.014 0.000 2.701 70 L HA 0.399 4.739 4.340 -0.000 0.000 0.238 70 L C 1.632 178.237 176.870 -0.442 0.000 1.106 70 L CA 0.637 55.454 54.840 -0.038 0.000 0.898 70 L CB 0.159 42.209 42.059 -0.014 0.000 1.188 70 L HN 0.302 nan 8.230 nan 0.000 0.508 71 G N 0.740 109.024 108.800 -0.861 0.000 2.324 71 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.292 71 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.292 71 G C 0.220 174.774 174.900 -0.576 0.000 1.079 71 G CA 0.274 44.488 45.100 -1.476 0.000 1.026 71 G HN 0.669 nan 8.290 nan 0.000 0.506 72 A N 0.618 123.269 122.820 -0.282 0.000 2.483 72 A HA 0.804 5.124 4.320 -0.000 0.000 0.308 72 A C -2.010 175.546 177.584 -0.047 0.000 1.291 72 A CA -1.489 50.485 52.037 -0.106 0.000 0.774 72 A CB 1.732 20.728 19.000 -0.007 0.000 1.134 72 A HN 0.168 nan 8.150 nan 0.000 0.471 73 P HA 0.115 nan 4.420 nan 0.000 0.267 73 P C 0.032 177.341 177.300 0.014 0.000 1.200 73 P CA -0.211 62.884 63.100 -0.009 0.000 0.772 73 P CB 0.493 32.191 31.700 -0.003 0.000 0.855 74 L N 2.891 124.125 121.223 0.019 0.000 2.499 74 L HA 0.243 4.582 4.340 -0.000 0.000 0.273 74 L C 0.845 177.732 176.870 0.028 0.000 1.195 74 L CA 0.771 55.628 54.840 0.028 0.000 0.882 74 L CB -0.181 41.891 42.059 0.023 0.000 1.133 74 L HN 0.507 nan 8.230 nan 0.000 0.483 75 A N 4.188 127.024 122.820 0.027 0.000 2.211 75 A HA 0.834 5.154 4.320 -0.000 0.000 0.208 75 A C 0.508 178.119 177.584 0.046 0.000 1.250 75 A CA 0.546 52.599 52.037 0.028 0.000 0.935 75 A CB 0.039 19.048 19.000 0.014 0.000 0.982 75 A HN 1.049 nan 8.150 nan 0.000 0.490 76 A N -0.100 122.754 122.820 0.057 0.000 2.612 76 A HA 0.735 5.055 4.320 -0.000 0.000 0.293 76 A C -0.794 176.909 177.584 0.199 0.000 1.075 76 A CA -0.399 51.722 52.037 0.140 0.000 0.680 76 A CB 0.992 20.098 19.000 0.177 0.000 1.279 76 A HN 0.878 nan 8.150 nan 0.000 0.411 77 R N -0.486 120.149 120.500 0.225 0.000 2.707 77 R HA 0.827 5.167 4.340 -0.000 0.000 0.272 77 R C -1.386 174.835 176.300 -0.132 0.000 1.011 77 R CA -0.215 55.951 56.100 0.110 0.000 0.893 77 R CB 1.751 32.071 30.300 0.033 0.000 1.233 77 R HN 1.054 nan 8.270 nan 0.000 0.464 78 S N 1.142 116.623 115.700 -0.365 0.000 2.776 78 S HA 0.497 4.966 4.470 -0.000 0.000 0.284 78 S C -1.731 172.628 174.600 -0.401 0.000 1.160 78 S CA -0.308 57.523 58.200 -0.614 0.000 1.051 78 S CB 0.632 62.994 63.200 -1.397 0.000 1.037 78 S HN 0.840 nan 8.310 nan 0.000 0.485 79 D N 2.841 123.096 120.400 -0.242 0.000 3.145 79 D HA 0.252 4.892 4.640 -0.000 0.000 0.345 79 D C 0.987 177.264 176.300 -0.037 0.000 1.391 79 D CA -0.854 53.097 54.000 -0.081 0.000 0.930 79 D CB -0.289 40.519 40.800 0.013 0.000 1.451 79 D HN 0.348 nan 8.370 nan 0.000 0.555 80 L N 0.089 121.330 121.223 0.030 0.000 2.081 80 L HA -0.152 4.188 4.340 -0.000 0.000 0.212 80 L C 2.197 179.013 176.870 -0.089 0.000 1.080 80 L CA 2.019 56.791 54.840 -0.114 0.000 0.754 80 L CB -0.653 41.273 42.059 -0.223 0.000 0.893 80 L HN 0.592 nan 8.230 nan 0.000 0.433 81 S N -1.760 113.904 115.700 -0.059 0.000 2.547 81 S HA -0.100 4.370 4.470 -0.000 0.000 0.235 81 S C 1.407 175.969 174.600 -0.062 0.000 0.980 81 S CA 1.041 59.208 58.200 -0.054 0.000 0.941 81 S CB -0.557 62.621 63.200 -0.036 0.000 0.763 81 S HN 0.572 nan 8.310 nan 0.000 0.532 82 T N -4.069 110.434 114.554 -0.084 0.000 3.252 82 T HA 0.604 4.954 4.350 -0.000 0.000 0.286 82 T C 1.246 175.885 174.700 -0.102 0.000 1.013 82 T CA 0.240 62.284 62.100 -0.094 0.000 0.914 82 T CB 0.095 68.887 68.868 -0.126 0.000 1.131 82 T HN 1.050 nan 8.240 nan 0.000 0.529 83 G N 1.922 110.665 108.800 -0.096 0.000 2.179 83 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.260 83 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.260 83 G C -0.006 174.829 174.900 -0.108 0.000 0.977 83 G CA -0.041 45.004 45.100 -0.092 0.000 0.641 83 G HN 0.768 nan 8.290 nan 0.000 0.533 84 N N 0.847 119.464 118.700 -0.138 0.000 2.437 84 N HA 0.430 5.169 4.740 -0.000 0.000 0.243 84 N C 1.274 176.734 175.510 -0.084 0.000 1.041 84 N CA 0.382 53.333 53.050 -0.166 0.000 0.940 84 N CB 1.059 39.352 38.487 -0.323 0.000 1.133 84 N HN 0.404 nan 8.380 nan 0.000 0.506 85 S N 1.911 117.571 115.700 -0.067 0.000 2.557 85 S HA 0.236 4.705 4.470 -0.000 0.000 0.223 85 S C 1.285 175.975 174.600 0.151 0.000 0.969 85 S CA 0.086 58.237 58.200 -0.082 0.000 0.927 85 S CB 0.357 63.482 63.200 -0.124 0.000 0.806 85 S HN 0.461 nan 8.310 nan 0.000 0.489 86 A N 1.608 124.516 122.820 0.147 0.000 1.924 86 A HA 0.398 4.718 4.320 -0.000 0.000 0.211 86 A C 0.762 178.421 177.584 0.126 0.000 1.198 86 A CA 0.744 52.899 52.037 0.197 0.000 0.657 86 A CB -0.351 18.767 19.000 0.197 0.000 0.852 86 A HN 0.895 nan 8.150 nan 0.000 0.454 87 H N -3.990 114.943 119.070 -0.227 0.000 3.016 87 H HA 0.757 5.313 4.556 -0.000 0.000 0.362 87 H C -0.865 174.070 175.328 -0.654 0.000 1.233 87 H CA -0.515 55.100 56.048 -0.722 0.000 1.124 87 H CB 1.259 30.219 29.762 -1.337 0.000 1.850 87 H HN 0.198 nan 8.280 nan 0.000 0.549 88 A N 1.895 124.301 122.820 -0.691 0.000 2.258 88 A HA 0.627 4.946 4.320 -0.000 0.000 0.316 88 A C -0.778 176.712 177.584 -0.156 0.000 1.279 88 A CA -0.580 51.201 52.037 -0.427 0.000 0.876 88 A CB 0.450 19.175 19.000 -0.459 0.000 1.170 88 A HN 0.632 nan 8.150 nan 0.000 0.520 89 S N 1.765 117.429 115.700 -0.059 0.000 2.500 89 S HA 0.729 5.198 4.470 -0.000 0.000 0.301 89 S C -0.789 173.899 174.600 0.146 0.000 1.092 89 S CA -0.394 57.877 58.200 0.119 0.000 1.030 89 S CB 1.091 64.475 63.200 0.308 0.000 1.031 89 S HN 0.596 nan 8.310 nan 0.000 0.483 90 L N 2.977 124.323 121.223 0.205 0.000 2.409 90 L HA 0.588 4.927 4.340 -0.000 0.000 0.272 90 L C -1.249 175.742 176.870 0.201 0.000 0.980 90 L CA -0.784 54.164 54.840 0.180 0.000 0.826 90 L CB 1.724 43.855 42.059 0.121 0.000 1.268 90 L HN 0.437 nan 8.230 nan 0.000 0.407 91 L N 4.585 125.859 121.223 0.084 0.000 2.280 91 L HA 0.567 4.906 4.340 -0.000 0.000 0.287 91 L C -0.831 176.054 176.870 0.025 0.000 1.023 91 L CA 0.045 54.837 54.840 -0.079 0.000 0.819 91 L CB 1.023 42.801 42.059 -0.468 0.000 1.212 91 L HN 0.437 nan 8.230 nan 0.000 0.420 92 L N 5.160 126.472 121.223 0.148 0.000 2.344 92 L HA 0.676 5.016 4.340 -0.000 0.000 0.272 92 L C -0.150 176.804 176.870 0.139 0.000 1.035 92 L CA -0.796 54.140 54.840 0.160 0.000 0.807 92 L CB 1.681 43.892 42.059 0.254 0.000 1.237 92 L HN 0.652 nan 8.230 nan 0.000 0.442 93 R N 0.782 121.334 120.500 0.087 0.000 2.626 93 R HA 0.538 4.877 4.340 -0.000 0.000 0.274 93 R C -1.625 174.694 176.300 0.033 0.000 1.031 93 R CA -0.335 55.803 56.100 0.063 0.000 0.898 93 R CB 2.164 32.478 30.300 0.022 0.000 1.222 93 R HN 0.596 nan 8.270 nan 0.000 0.455 94 S N 2.379 118.091 115.700 0.020 0.000 2.750 94 S HA 0.552 5.022 4.470 -0.000 0.000 0.276 94 S C 0.182 174.770 174.600 -0.021 0.000 1.165 94 S CA 0.523 58.716 58.200 -0.012 0.000 1.047 94 S CB 1.000 64.182 63.200 -0.030 0.000 1.056 94 S HN 1.137 nan 8.310 nan 0.000 0.481 95 G N 4.245 113.039 108.800 -0.009 0.000 2.596 95 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.304 95 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.304 95 G C 0.920 175.815 174.900 -0.008 0.000 1.189 95 G CA 0.591 45.687 45.100 -0.007 0.000 0.986 95 G HN 1.157 nan 8.290 nan 0.000 0.548 96 S N 0.415 116.101 115.700 -0.023 0.000 2.556 96 S HA 0.383 4.853 4.470 -0.000 0.000 0.216 96 S C 0.981 175.541 174.600 -0.066 0.000 0.970 96 S CA -0.056 58.137 58.200 -0.011 0.000 0.912 96 S CB -0.046 63.168 63.200 0.023 0.000 0.790 96 S HN 0.447 nan 8.310 nan 0.000 0.504 97 L N 2.144 123.272 121.223 -0.158 0.000 2.360 97 L HA 0.290 4.630 4.340 -0.000 0.000 0.276 97 L C -0.117 176.690 176.870 -0.105 0.000 1.121 97 L CA 0.026 54.655 54.840 -0.353 0.000 0.845 97 L CB 1.048 42.886 42.059 -0.369 0.000 1.143 97 L HN -0.003 nan 8.230 nan 0.000 0.452 98 S N 3.535 119.199 115.700 -0.059 0.000 2.756 98 S HA 0.554 5.024 4.470 -0.000 0.000 0.303 98 S C -0.883 173.719 174.600 0.003 0.000 1.135 98 S CA -0.455 57.766 58.200 0.034 0.000 1.066 98 S CB 0.615 63.828 63.200 0.021 0.000 1.008 98 S HN 0.213 nan 8.310 nan 0.000 0.482 99 F N 2.736 122.719 119.950 0.055 0.000 2.426 99 F HA 0.559 5.086 4.527 -0.000 0.000 0.348 99 F C -0.193 175.505 175.800 -0.170 0.000 1.124 99 F CA -0.869 57.117 58.000 -0.024 0.000 1.008 99 F CB 1.197 40.242 39.000 0.076 0.000 1.139 99 F HN 0.337 nan 8.300 nan 0.000 0.452 100 L N 4.724 125.841 121.223 -0.177 0.000 2.307 100 L HA 0.633 4.973 4.340 -0.000 0.000 0.284 100 L C -1.531 175.140 176.870 -0.331 0.000 1.023 100 L CA -0.358 54.382 54.840 -0.167 0.000 0.810 100 L CB 0.509 42.488 42.059 -0.134 0.000 1.231 100 L HN 0.343 nan 8.230 nan 0.000 0.423 101 F N 2.822 122.803 119.950 0.052 0.000 2.467 101 F HA 0.658 5.185 4.527 -0.000 0.000 0.336 101 F C 0.206 176.041 175.800 0.060 0.000 1.123 101 F CA -0.456 57.573 58.000 0.049 0.000 0.964 101 F CB 2.211 41.208 39.000 -0.005 0.000 1.136 101 F HN 0.347 nan 8.300 nan 0.000 0.447 102 T N 2.424 117.102 114.554 0.206 0.000 2.886 102 T HA 0.845 5.195 4.350 -0.000 0.000 0.292 102 T C -1.054 173.602 174.700 -0.074 0.000 1.012 102 T CA -0.787 61.340 62.100 0.046 0.000 0.982 102 T CB 1.834 70.709 68.868 0.012 0.000 1.018 102 T HN 0.725 nan 8.240 nan 0.000 0.451 103 A N 3.998 126.695 122.820 -0.205 0.000 2.486 103 A HA 0.923 5.243 4.320 -0.000 0.000 0.300 103 A C -2.991 174.385 177.584 -0.346 0.000 1.048 103 A CA -1.884 50.021 52.037 -0.220 0.000 0.696 103 A CB 1.581 20.502 19.000 -0.133 0.000 1.278 103 A HN 0.529 nan 8.150 nan 0.000 0.405 104 P HA 0.342 nan 4.420 nan 0.000 0.281 104 P C -1.131 176.070 177.300 -0.165 0.000 1.249 104 P CA -0.024 63.025 63.100 -0.085 0.000 0.810 104 P CB 0.590 32.381 31.700 0.152 0.000 1.008 105 Y N 0.150 120.444 120.300 -0.010 0.000 2.307 105 Y HA 0.339 4.889 4.550 -0.000 0.000 0.324 105 Y C 1.740 177.593 175.900 -0.079 0.000 1.238 105 Y CA -0.552 57.523 58.100 -0.041 0.000 1.280 105 Y CB 1.132 39.567 38.460 -0.041 0.000 1.248 105 Y HN 0.423 nan 8.280 nan 0.000 0.508 106 A N 0.996 123.822 122.820 0.011 0.000 1.963 106 A HA 0.120 4.440 4.320 -0.000 0.000 0.207 106 A C 0.015 177.337 177.584 -0.437 0.000 1.243 106 A CA 0.324 52.179 52.037 -0.304 0.000 0.728 106 A CB 0.104 18.760 19.000 -0.573 0.000 0.895 106 A HN 0.704 nan 8.150 nan 0.000 0.467 107 H N -1.366 117.737 119.070 0.055 0.000 2.495 107 H HA 0.455 5.011 4.556 -0.000 0.000 0.348 107 H C 0.833 176.156 175.328 -0.008 0.000 1.113 107 H CA -0.226 55.834 56.048 0.019 0.000 1.195 107 H CB 1.201 30.967 29.762 0.006 0.000 1.521 107 H HN 0.574 nan 8.280 nan 0.000 0.509 108 G N 1.728 110.586 108.800 0.096 0.000 2.221 108 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.265 108 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.265 108 G C 0.292 175.192 174.900 -0.000 0.000 1.041 108 G CA 0.153 45.272 45.100 0.031 0.000 0.807 108 G HN 0.901 nan 8.290 nan 0.000 0.502 109 A N -0.027 122.807 122.820 0.023 0.000 2.320 109 A HA 0.586 4.905 4.320 -0.000 0.000 0.287 109 A C 0.153 177.759 177.584 0.036 0.000 1.181 109 A CA 0.167 52.227 52.037 0.038 0.000 0.831 109 A CB 0.775 19.831 19.000 0.093 0.000 1.102 109 A HN 0.449 nan 8.150 nan 0.000 0.513 110 D N 2.906 123.323 120.400 0.028 0.000 2.473 110 D HA 0.491 5.131 4.640 -0.000 0.000 0.226 110 D C 1.108 177.439 176.300 0.053 0.000 1.089 110 D CA 0.238 54.255 54.000 0.028 0.000 0.883 110 D CB 1.115 41.918 40.800 0.006 0.000 1.029 110 D HN 0.462 nan 8.370 nan 0.000 0.517 111 A N 3.978 126.840 122.820 0.072 0.000 1.958 111 A HA -0.184 4.136 4.320 -0.000 0.000 0.221 111 A C 2.147 179.788 177.584 0.095 0.000 1.178 111 A CA 2.096 54.196 52.037 0.105 0.000 0.642 111 A CB -0.705 18.347 19.000 0.086 0.000 0.816 111 A HN 0.672 nan 8.150 nan 0.000 0.453 112 A N -0.451 122.407 122.820 0.063 0.000 2.076 112 A HA -0.093 4.227 4.320 -0.000 0.000 0.220 112 A C 2.171 179.780 177.584 0.042 0.000 1.160 112 A CA 2.231 54.300 52.037 0.054 0.000 0.653 112 A CB -1.294 17.728 19.000 0.037 0.000 0.801 112 A HN 0.941 nan 8.150 nan 0.000 0.455 113 T N -2.329 112.241 114.554 0.025 0.000 3.194 113 T HA 0.508 4.858 4.350 -0.000 0.000 0.251 113 T C 0.629 175.307 174.700 -0.037 0.000 1.132 113 T CA 0.317 62.410 62.100 -0.012 0.000 1.028 113 T CB -0.601 68.245 68.868 -0.037 0.000 0.976 113 T HN 0.628 nan 8.240 nan 0.000 0.535 114 A N 0.612 123.452 122.820 0.033 0.000 2.450 114 A HA 0.734 5.054 4.320 -0.000 0.000 0.255 114 A C 1.696 179.323 177.584 0.071 0.000 1.096 114 A CA -0.020 52.061 52.037 0.072 0.000 0.778 114 A CB 0.010 19.183 19.000 0.288 0.000 1.031 114 A HN 0.559 nan 8.150 nan 0.000 0.494 115 A N 2.820 125.651 122.820 0.019 0.000 2.016 115 A HA 0.229 4.549 4.320 -0.000 0.000 0.217 115 A C 0.813 178.542 177.584 0.242 0.000 1.162 115 A CA 0.650 52.721 52.037 0.058 0.000 0.662 115 A CB -0.133 18.766 19.000 -0.169 0.000 0.812 115 A HN 0.702 nan 8.150 nan 0.000 0.450 116 L N 1.305 122.754 121.223 0.377 0.000 2.287 116 L HA 0.230 4.570 4.340 -0.000 0.000 0.280 116 L C -1.524 175.405 176.870 0.098 0.000 1.055 116 L CA -1.627 53.341 54.840 0.214 0.000 0.863 116 L CB 1.291 43.447 42.059 0.162 0.000 1.245 116 L HN 0.174 nan 8.230 nan 0.000 0.432 117 P HA -0.171 nan 4.420 nan 0.000 0.221 117 P C 1.215 178.213 177.300 -0.504 0.000 1.145 117 P CA 1.045 64.094 63.100 -0.085 0.000 0.795 117 P CB 0.313 32.055 31.700 0.070 0.000 0.775 118 S N -1.773 113.439 115.700 -0.813 0.000 2.522 118 S HA -0.052 4.418 4.470 -0.000 0.000 0.227 118 S C 0.660 175.089 174.600 -0.285 0.000 0.986 118 S CA -0.451 57.106 58.200 -1.071 0.000 0.929 118 S CB -1.271 61.453 63.200 -0.794 0.000 0.769 118 S HN -0.012 nan 8.310 nan 0.000 0.529 119 F N 3.414 123.231 119.950 -0.222 0.000 2.572 119 F HA 0.427 4.954 4.527 -0.000 0.000 0.370 119 F C 0.435 176.185 175.800 -0.083 0.000 1.103 119 F CA -0.073 57.858 58.000 -0.115 0.000 1.286 119 F CB 0.730 39.589 39.000 -0.237 0.000 1.105 119 F HN 0.119 nan 8.300 nan 0.000 0.583 120 S N 5.079 120.135 115.700 -1.073 0.000 2.733 120 S HA 0.615 5.085 4.470 -0.000 0.000 0.294 120 S C 0.455 174.371 174.600 -1.141 0.000 1.149 120 S CA -0.249 57.507 58.200 -0.741 0.000 1.034 120 S CB 1.069 64.077 63.200 -0.320 0.000 1.015 120 S HN 1.027 nan 8.310 nan 0.000 0.486 121 A N 5.007 127.392 122.820 -0.725 0.000 1.892 121 A HA 0.069 4.388 4.320 -0.000 0.000 0.218 121 A C 2.323 179.706 177.584 -0.335 0.000 1.188 121 A CA 2.188 53.964 52.037 -0.435 0.000 0.631 121 A CB -1.359 17.594 19.000 -0.078 0.000 0.822 121 A HN 1.366 nan 8.150 nan 0.000 0.447 122 A N -0.350 122.331 122.820 -0.232 0.000 1.877 122 A HA 0.170 4.490 4.320 -0.000 0.000 0.216 122 A C 2.526 180.033 177.584 -0.128 0.000 1.186 122 A CA 2.177 54.131 52.037 -0.139 0.000 0.620 122 A CB -1.064 17.885 19.000 -0.086 0.000 0.822 122 A HN 1.134 nan 8.150 nan 0.000 0.443 123 A N -0.245 122.482 122.820 -0.156 0.000 1.933 123 A HA 0.174 4.494 4.320 -0.000 0.000 0.218 123 A C 2.469 180.042 177.584 -0.018 0.000 1.175 123 A CA 2.041 54.063 52.037 -0.024 0.000 0.628 123 A CB -0.901 18.121 19.000 0.036 0.000 0.814 123 A HN 1.015 nan 8.150 nan 0.000 0.444 124 A N -0.100 122.457 122.820 -0.439 0.000 1.898 124 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 124 A C 2.234 179.728 177.584 -0.151 0.000 1.181 124 A CA 1.359 53.018 52.037 -0.630 0.000 0.620 124 A CB -0.434 17.903 19.000 -1.105 0.000 0.819 124 A HN 0.546 nan 8.150 nan 0.000 0.442 125 R N -1.133 119.290 120.500 -0.128 0.000 2.096 125 R HA -0.120 4.220 4.340 -0.000 0.000 0.235 125 R C 2.392 178.706 176.300 0.024 0.000 1.127 125 R CA 1.448 57.526 56.100 -0.037 0.000 0.968 125 R CB -0.279 29.989 30.300 -0.053 0.000 0.861 125 R HN 0.371 nan 8.270 nan 0.000 0.440 126 R N 0.864 121.383 120.500 0.032 0.000 2.075 126 R HA -0.118 4.222 4.340 -0.000 0.000 0.232 126 R C 1.806 178.143 176.300 0.060 0.000 1.126 126 R CA 1.379 57.498 56.100 0.031 0.000 0.963 126 R CB -0.857 29.461 30.300 0.030 0.000 0.858 126 R HN 0.179 nan 8.270 nan 0.000 0.435 127 F N 0.556 120.525 119.950 0.032 0.000 2.102 127 F HA -0.057 4.470 4.527 -0.000 0.000 0.298 127 F C 1.997 177.834 175.800 0.063 0.000 1.105 127 F CA 1.772 59.837 58.000 0.108 0.000 1.239 127 F CB -0.742 38.525 39.000 0.445 0.000 0.991 127 F HN 0.120 nan 8.300 nan 0.000 0.474 128 A N 0.285 123.368 122.820 0.439 0.000 1.902 128 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 128 A C 2.384 180.018 177.584 0.084 0.000 1.181 128 A CA 1.789 54.007 52.037 0.301 0.000 0.623 128 A CB -1.559 17.575 19.000 0.223 0.000 0.818 128 A HN 0.502 nan 8.150 nan 0.000 0.443 129 A N -0.223 122.607 122.820 0.016 0.000 1.930 129 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 129 A C 1.749 179.248 177.584 -0.142 0.000 1.175 129 A CA 1.853 53.864 52.037 -0.043 0.000 0.627 129 A CB -0.453 18.524 19.000 -0.039 0.000 0.815 129 A HN 0.449 nan 8.150 nan 0.000 0.443 130 D N -1.156 119.066 120.400 -0.297 0.000 2.103 130 D HA -0.059 4.581 4.640 -0.000 0.000 0.199 130 D C 1.522 177.437 176.300 -0.641 0.000 0.978 130 D CA 1.319 54.983 54.000 -0.561 0.000 0.829 130 D CB -0.221 40.010 40.800 -0.948 0.000 0.981 130 D HN 0.616 nan 8.370 nan 0.000 0.464 131 H N -1.077 117.779 119.070 -0.356 0.000 2.885 131 H HA 0.392 4.948 4.556 -0.000 0.000 0.260 131 H C 1.521 176.795 175.328 -0.089 0.000 0.985 131 H CA 0.736 56.548 56.048 -0.394 0.000 1.210 131 H CB 0.763 30.091 29.762 -0.723 0.000 1.466 131 H HN 0.145 nan 8.280 nan 0.000 0.493 132 G N 1.640 110.502 108.800 0.103 0.000 2.584 132 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.229 132 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.229 132 G C -0.551 174.522 174.900 0.288 0.000 1.320 132 G CA -0.270 44.934 45.100 0.173 0.000 0.891 132 G HN 0.300 nan 8.290 nan 0.000 0.573 133 L N 1.201 122.594 121.223 0.284 0.000 2.562 133 L HA 0.582 4.922 4.340 -0.000 0.000 0.271 133 L C 0.784 177.874 176.870 0.367 0.000 1.167 133 L CA 1.680 56.722 54.840 0.336 0.000 0.917 133 L CB -0.170 42.078 42.059 0.314 0.000 1.187 133 L HN 2.147 nan 8.230 nan 0.000 0.482 134 A N 3.951 127.038 122.820 0.445 0.000 2.601 134 A HA 0.625 4.944 4.320 -0.000 0.000 0.291 134 A C -1.262 176.558 177.584 0.394 0.000 1.075 134 A CA -0.689 51.606 52.037 0.429 0.000 0.671 134 A CB 0.871 20.172 19.000 0.502 0.000 1.277 134 A HN 0.315 nan 8.150 nan 0.000 0.417 135 V N 1.793 121.861 119.914 0.255 0.000 2.479 135 V HA 0.220 4.340 4.120 -0.000 0.000 0.281 135 V C 1.480 177.641 176.094 0.111 0.000 1.031 135 V CA 0.793 63.149 62.300 0.092 0.000 1.038 135 V CB 0.730 32.557 31.823 0.007 0.000 0.981 135 V HN 1.028 nan 8.190 nan 0.000 0.478 136 R N 4.743 125.108 120.500 -0.225 0.000 2.146 136 R HA 0.423 4.763 4.340 -0.000 0.000 0.206 136 R C 0.503 176.515 176.300 -0.480 0.000 1.049 136 R CA 1.130 56.878 56.100 -0.586 0.000 1.029 136 R CB 0.289 29.585 30.300 -1.673 0.000 0.949 136 R HN 0.727 nan 8.270 nan 0.000 0.471 137 A N 0.331 122.905 122.820 -0.410 0.000 2.393 137 A HA 0.666 4.986 4.320 -0.000 0.000 0.306 137 A C -1.480 175.924 177.584 -0.299 0.000 1.050 137 A CA -0.705 51.132 52.037 -0.332 0.000 0.724 137 A CB 2.170 20.991 19.000 -0.298 0.000 1.248 137 A HN 0.015 nan 8.150 nan 0.000 0.424 138 V N 2.069 121.809 119.914 -0.290 0.000 2.334 138 V HA 0.629 4.749 4.120 -0.000 0.000 0.281 138 V C 0.445 176.392 176.094 -0.245 0.000 1.016 138 V CA -0.124 62.011 62.300 -0.276 0.000 0.832 138 V CB 1.054 32.752 31.823 -0.208 0.000 0.999 138 V HN 1.187 nan 8.190 nan 0.000 0.439 139 A N 6.700 129.326 122.820 -0.323 0.000 2.317 139 A HA 0.916 5.236 4.320 -0.000 0.000 0.327 139 A C -0.805 176.784 177.584 0.008 0.000 1.178 139 A CA -0.512 51.370 52.037 -0.259 0.000 0.817 139 A CB 0.822 19.408 19.000 -0.690 0.000 1.189 139 A HN 0.783 nan 8.150 nan 0.000 0.489 140 L N 1.712 123.013 121.223 0.131 0.000 2.346 140 L HA 0.598 4.938 4.340 -0.000 0.000 0.274 140 L C 0.507 177.509 176.870 0.220 0.000 1.007 140 L CA -0.740 54.222 54.840 0.203 0.000 0.818 140 L CB 1.812 44.036 42.059 0.275 0.000 1.284 140 L HN 0.852 nan 8.230 nan 0.000 0.424 141 R N 2.188 122.796 120.500 0.181 0.000 2.265 141 R HA 0.616 4.956 4.340 -0.000 0.000 0.314 141 R C -0.846 175.455 176.300 0.002 0.000 1.053 141 R CA -0.413 55.739 56.100 0.087 0.000 0.931 141 R CB 1.166 31.531 30.300 0.109 0.000 1.024 141 R HN 0.561 nan 8.270 nan 0.000 0.457 142 V N 0.882 120.775 119.914 -0.035 0.000 3.155 142 V HA 0.678 4.798 4.120 -0.000 0.000 0.313 142 V C 0.804 176.833 176.094 -0.109 0.000 1.162 142 V CA -0.160 62.116 62.300 -0.041 0.000 1.048 142 V CB 1.350 33.192 31.823 0.031 0.000 1.092 142 V HN 0.863 nan 8.190 nan 0.000 0.447 143 A N -0.026 122.764 122.820 -0.049 0.000 1.845 143 A HA 0.018 4.338 4.320 -0.000 0.000 0.215 143 A C 0.996 178.550 177.584 -0.050 0.000 1.195 143 A CA 2.162 54.189 52.037 -0.018 0.000 0.616 143 A CB -0.512 18.555 19.000 0.112 0.000 0.832 143 A HN 1.025 nan 8.150 nan 0.000 0.443 144 D N -2.386 117.993 120.400 -0.035 0.000 2.686 144 D HA 0.565 5.205 4.640 -0.000 0.000 0.249 144 D C 0.643 176.899 176.300 -0.073 0.000 1.260 144 D CA 0.295 54.267 54.000 -0.047 0.000 0.910 144 D CB 1.747 42.531 40.800 -0.027 0.000 1.323 144 D HN 0.104 nan 8.370 nan 0.000 0.561 145 A N 3.704 126.497 122.820 -0.045 0.000 1.933 145 A HA -0.172 4.147 4.320 -0.000 0.000 0.218 145 A C 1.795 179.369 177.584 -0.016 0.000 1.175 145 A CA 1.597 53.625 52.037 -0.014 0.000 0.628 145 A CB -0.298 18.742 19.000 0.066 0.000 0.814 145 A HN 0.720 nan 8.150 nan 0.000 0.444 146 E N -0.320 119.871 120.200 -0.014 0.000 2.077 146 E HA -0.265 4.085 4.350 -0.000 0.000 0.193 146 E C 1.695 178.299 176.600 0.007 0.000 0.989 146 E CA 1.421 57.823 56.400 0.004 0.000 0.800 146 E CB -0.170 29.525 29.700 -0.008 0.000 0.746 146 E HN 0.597 nan 8.360 nan 0.000 0.452 147 D N -0.033 120.338 120.400 -0.048 0.000 2.117 147 D HA -0.120 4.520 4.640 -0.000 0.000 0.198 147 D C 1.854 178.031 176.300 -0.205 0.000 0.982 147 D CA 1.686 55.644 54.000 -0.071 0.000 0.828 147 D CB -0.189 40.588 40.800 -0.038 0.000 0.967 147 D HN 0.256 nan 8.370 nan 0.000 0.464 148 A N -0.332 122.232 122.820 -0.426 0.000 1.883 148 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 148 A C 2.250 179.331 177.584 -0.839 0.000 1.186 148 A CA 1.474 52.788 52.037 -1.205 0.000 0.624 148 A CB -1.323 16.599 19.000 -1.798 0.000 0.822 148 A HN 0.425 nan 8.150 nan 0.000 0.444 149 F N 0.706 120.408 119.950 -0.412 0.000 2.069 149 F HA -0.194 4.333 4.527 -0.000 0.000 0.298 149 F C 2.485 178.203 175.800 -0.137 0.000 1.113 149 F CA 2.093 60.025 58.000 -0.114 0.000 1.214 149 F CB -0.274 38.709 39.000 -0.029 0.000 0.978 149 F HN 0.118 nan 8.300 nan 0.000 0.474 150 R N 0.145 120.625 120.500 -0.033 0.000 2.083 150 R HA -0.149 4.191 4.340 -0.000 0.000 0.237 150 R C 2.408 178.616 176.300 -0.154 0.000 1.137 150 R CA 1.371 57.413 56.100 -0.095 0.000 0.951 150 R CB -1.022 29.280 30.300 0.004 0.000 0.851 150 R HN 0.408 nan 8.270 nan 0.000 0.434 151 A N 0.453 123.191 122.820 -0.137 0.000 1.969 151 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 151 A C 2.190 179.740 177.584 -0.058 0.000 1.169 151 A CA 1.474 53.474 52.037 -0.062 0.000 0.635 151 A CB -0.228 18.791 19.000 0.030 0.000 0.810 151 A HN 0.204 nan 8.150 nan 0.000 0.445 152 S N -0.483 115.120 115.700 -0.162 0.000 2.357 152 S HA -0.114 4.356 4.470 -0.000 0.000 0.221 152 S C 2.052 176.505 174.600 -0.245 0.000 1.031 152 S CA 1.491 59.643 58.200 -0.081 0.000 0.982 152 S CB -0.566 62.575 63.200 -0.099 0.000 0.853 152 S HN 0.850 nan 8.310 nan 0.000 0.458 153 V N 0.593 120.245 119.914 -0.436 0.000 2.667 153 V HA 0.101 4.221 4.120 -0.000 0.000 0.252 153 V C 2.182 178.153 176.094 -0.205 0.000 1.065 153 V CA 1.328 63.387 62.300 -0.402 0.000 1.083 153 V CB -1.347 30.123 31.823 -0.588 0.000 0.692 153 V HN 0.380 nan 8.190 nan 0.000 0.468 154 A N 0.665 123.392 122.820 -0.155 0.000 2.019 154 A HA 0.296 4.616 4.320 -0.000 0.000 0.219 154 A C 2.116 179.674 177.584 -0.044 0.000 1.164 154 A CA 1.699 53.688 52.037 -0.080 0.000 0.644 154 A CB -0.630 18.336 19.000 -0.055 0.000 0.805 154 A HN 1.169 nan 8.150 nan 0.000 0.449 155 A N -2.084 120.718 122.820 -0.031 0.000 2.610 155 A HA 0.493 4.813 4.320 -0.000 0.000 0.286 155 A C 1.392 178.997 177.584 0.035 0.000 1.306 155 A CA 0.845 52.891 52.037 0.014 0.000 0.942 155 A CB -0.758 18.269 19.000 0.045 0.000 1.112 155 A HN 1.742 nan 8.150 nan 0.000 0.527 156 G N -1.459 107.337 108.800 -0.006 0.000 2.213 156 G HA2 0.106 4.066 3.960 -0.000 0.000 0.226 156 G HA3 0.106 4.066 3.960 -0.000 0.000 0.226 156 G C 0.578 175.492 174.900 0.022 0.000 0.992 156 G CA -0.004 45.120 45.100 0.041 0.000 0.632 156 G HN 1.673 nan 8.290 nan 0.000 0.511 157 A N 0.645 123.322 122.820 -0.238 0.000 2.498 157 A HA 0.608 4.928 4.320 -0.000 0.000 0.239 157 A C 0.783 178.227 177.584 -0.233 0.000 1.068 157 A CA 0.305 52.008 52.037 -0.557 0.000 0.766 157 A CB 0.136 18.357 19.000 -1.298 0.000 1.003 157 A HN 0.516 nan 8.150 nan 0.000 0.497 158 R N 3.181 123.649 120.500 -0.054 0.000 2.248 158 R HA 0.269 4.609 4.340 -0.000 0.000 0.328 158 R C -2.414 173.833 176.300 -0.089 0.000 1.067 158 R CA -1.459 54.613 56.100 -0.046 0.000 0.924 158 R CB 0.511 30.801 30.300 -0.017 0.000 1.013 158 R HN 0.562 nan 8.270 nan 0.000 0.454 159 P HA 0.010 nan 4.420 nan 0.000 0.271 159 P C -0.527 176.838 177.300 0.109 0.000 1.216 159 P CA 0.142 63.285 63.100 0.072 0.000 0.776 159 P CB 1.608 33.417 31.700 0.182 0.000 0.881 160 A N 2.867 125.786 122.820 0.164 0.000 2.026 160 A HA 0.356 4.676 4.320 -0.000 0.000 0.201 160 A C 0.035 177.752 177.584 0.221 0.000 1.318 160 A CA 0.470 52.584 52.037 0.129 0.000 0.857 160 A CB 0.190 19.226 19.000 0.061 0.000 0.939 160 A HN 0.503 nan 8.150 nan 0.000 0.476 161 F N -0.565 119.396 119.950 0.018 0.000 2.623 161 F HA 0.540 5.067 4.527 -0.000 0.000 0.323 161 F C 0.256 175.876 175.800 -0.299 0.000 1.158 161 F CA -0.732 57.221 58.000 -0.078 0.000 1.030 161 F CB 0.635 39.597 39.000 -0.062 0.000 1.280 161 F HN 0.230 nan 8.300 nan 0.000 0.474 162 G N 4.558 112.742 108.800 -1.026 0.000 2.554 162 G HA2 0.409 4.369 3.960 -0.000 0.000 0.238 162 G HA3 0.409 4.369 3.960 -0.000 0.000 0.238 162 G C -2.801 171.486 174.900 -1.022 0.000 1.259 162 G CA -1.203 43.202 45.100 -1.157 0.000 0.843 162 G HN 0.427 nan 8.290 nan 0.000 0.582 163 P HA 0.226 nan 4.420 nan 0.000 0.265 163 P C -0.104 177.041 177.300 -0.258 0.000 1.193 163 P CA -0.026 62.825 63.100 -0.415 0.000 0.765 163 P CB 0.981 32.502 31.700 -0.299 0.000 0.823 164 V N -0.188 119.681 119.914 -0.076 0.000 3.049 164 V HA 0.558 4.678 4.120 -0.000 0.000 0.309 164 V C -0.871 175.257 176.094 0.056 0.000 1.148 164 V CA -0.972 61.329 62.300 0.002 0.000 0.990 164 V CB 2.514 34.407 31.823 0.116 0.000 1.039 164 V HN 0.421 nan 8.190 nan 0.000 0.430 165 D N 2.052 122.485 120.400 0.055 0.000 2.225 165 D HA 0.429 5.069 4.640 -0.000 0.000 0.248 165 D C 0.367 176.727 176.300 0.099 0.000 1.096 165 D CA -0.349 53.698 54.000 0.079 0.000 0.863 165 D CB 2.049 42.885 40.800 0.060 0.000 1.156 165 D HN 0.681 nan 8.370 nan 0.000 0.450 166 L N 2.710 124.010 121.223 0.129 0.000 2.616 166 L HA 0.327 4.667 4.340 -0.000 0.000 0.229 166 L C 1.257 178.176 176.870 0.081 0.000 1.110 166 L CA 0.128 55.027 54.840 0.098 0.000 0.884 166 L CB -0.019 42.086 42.059 0.076 0.000 1.115 166 L HN 0.678 nan 8.230 nan 0.000 0.481 167 G N 0.148 109.023 108.800 0.125 0.000 2.570 167 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.686 167 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.686 167 G C -0.002 175.022 174.900 0.208 0.000 1.257 167 G CA -0.711 44.459 45.100 0.116 0.000 0.846 167 G HN 0.172 nan 8.290 nan 0.000 0.627 168 R N -0.722 119.884 120.500 0.177 0.000 3.741 168 R HA -0.211 4.129 4.340 -0.000 0.000 0.292 168 R C 1.734 178.199 176.300 0.274 0.000 1.176 168 R CA 2.152 58.390 56.100 0.230 0.000 0.794 168 R CB -1.653 28.811 30.300 0.273 0.000 1.213 168 R HN 2.811 nan 8.270 nan 0.000 0.494 169 G N -1.080 107.835 108.800 0.193 0.000 2.199 169 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.254 169 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.254 169 G C 0.222 175.177 174.900 0.092 0.000 0.982 169 G CA 0.227 45.387 45.100 0.100 0.000 0.632 169 G HN 0.308 nan 8.290 nan 0.000 0.529 170 F N 1.436 121.432 119.950 0.077 0.000 2.484 170 F HA 0.624 5.151 4.527 -0.000 0.000 0.360 170 F C 1.321 177.156 175.800 0.057 0.000 1.101 170 F CA 0.047 58.099 58.000 0.086 0.000 1.251 170 F CB 0.697 39.711 39.000 0.025 0.000 1.132 170 F HN -0.019 nan 8.300 nan 0.000 0.570 171 R N 3.068 123.691 120.500 0.205 0.000 2.750 171 R HA 0.791 5.131 4.340 -0.000 0.000 0.281 171 R C -1.671 174.709 176.300 0.132 0.000 0.972 171 R CA -1.162 55.014 56.100 0.128 0.000 0.912 171 R CB 2.492 32.827 30.300 0.058 0.000 1.187 171 R HN 0.675 nan 8.270 nan 0.000 0.464 172 L N 1.174 122.468 121.223 0.118 0.000 2.472 172 L HA 0.854 5.194 4.340 -0.000 0.000 0.260 172 L C -1.755 175.193 176.870 0.128 0.000 0.963 172 L CA -0.319 54.601 54.840 0.134 0.000 0.829 172 L CB 2.117 44.260 42.059 0.140 0.000 1.348 172 L HN 0.859 nan 8.230 nan 0.000 0.408 173 A N 3.413 126.317 122.820 0.141 0.000 2.602 173 A HA 0.896 5.216 4.320 -0.000 0.000 0.290 173 A C -1.763 175.878 177.584 0.095 0.000 1.114 173 A CA -0.545 51.540 52.037 0.081 0.000 0.683 173 A CB 2.063 21.090 19.000 0.044 0.000 1.281 173 A HN 0.691 nan 8.150 nan 0.000 0.416 174 E N -0.735 119.523 120.200 0.097 0.000 2.363 174 E HA 0.540 4.890 4.350 -0.000 0.000 0.281 174 E C -1.250 175.388 176.600 0.063 0.000 0.953 174 E CA -0.811 55.577 56.400 -0.019 0.000 0.778 174 E CB 2.451 32.157 29.700 0.009 0.000 1.220 174 E HN 1.107 nan 8.360 nan 0.000 0.431 175 V N -1.754 118.091 119.914 -0.115 0.000 3.160 175 V HA 0.546 4.666 4.120 -0.000 0.000 0.310 175 V C -0.581 175.425 176.094 -0.147 0.000 1.181 175 V CA -1.107 61.121 62.300 -0.121 0.000 1.047 175 V CB 1.908 33.539 31.823 -0.320 0.000 1.068 175 V HN 0.627 nan 8.190 nan 0.000 0.441 176 E N 0.809 120.945 120.200 -0.105 0.000 2.290 176 E HA 0.263 4.613 4.350 -0.000 0.000 0.277 176 E C -0.029 176.593 176.600 0.036 0.000 1.035 176 E CA -0.337 56.036 56.400 -0.044 0.000 0.873 176 E CB 1.911 31.605 29.700 -0.010 0.000 1.029 176 E HN 0.643 nan 8.360 nan 0.000 0.419 177 L N 5.000 126.155 121.223 -0.114 0.000 2.194 177 L HA 0.087 4.427 4.340 -0.000 0.000 0.197 177 L C -0.389 176.369 176.870 -0.187 0.000 1.106 177 L CA 1.368 56.035 54.840 -0.290 0.000 0.785 177 L CB 0.208 41.803 42.059 -0.775 0.000 0.960 177 L HN 0.565 nan 8.230 nan 0.000 0.465 178 Y N -2.633 117.663 120.300 -0.007 0.000 2.558 178 Y HA 0.630 5.180 4.550 -0.000 0.000 0.333 178 Y C 0.536 176.436 175.900 -0.001 0.000 1.125 178 Y CA -1.543 56.553 58.100 -0.006 0.000 1.039 178 Y CB -0.115 38.332 38.460 -0.022 0.000 1.331 178 Y HN 0.383 nan 8.280 nan 0.000 0.456 179 G N 1.498 110.421 108.800 0.204 0.000 2.652 179 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.318 179 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.318 179 G C 0.160 175.137 174.900 0.128 0.000 1.295 179 G CA 1.117 46.309 45.100 0.154 0.000 0.999 179 G HN 0.799 nan 8.290 nan 0.000 0.548 180 D N 0.509 121.006 120.400 0.161 0.000 2.325 180 D HA 0.316 4.956 4.640 -0.000 0.000 0.225 180 D C 0.707 177.119 176.300 0.187 0.000 1.096 180 D CA 0.233 54.361 54.000 0.213 0.000 0.844 180 D CB 0.411 41.442 40.800 0.384 0.000 0.925 180 D HN 0.286 nan 8.370 nan 0.000 0.513 181 V N 1.543 121.512 119.914 0.091 0.000 2.481 181 V HA 0.295 4.415 4.120 -0.000 0.000 0.286 181 V C 0.587 176.564 176.094 -0.194 0.000 1.042 181 V CA -0.864 61.407 62.300 -0.048 0.000 0.928 181 V CB 1.746 33.535 31.823 -0.057 0.000 0.986 181 V HN -0.034 nan 8.190 nan 0.000 0.462 182 V N 3.397 123.164 119.914 -0.244 0.000 2.881 182 V HA 0.730 4.850 4.120 -0.000 0.000 0.316 182 V C -0.611 175.312 176.094 -0.284 0.000 1.070 182 V CA -1.050 61.105 62.300 -0.242 0.000 0.976 182 V CB 1.819 33.518 31.823 -0.208 0.000 1.038 182 V HN 0.629 nan 8.190 nan 0.000 0.446 183 L N 3.450 124.507 121.223 -0.277 0.000 2.257 183 L HA 0.599 4.939 4.340 -0.000 0.000 0.290 183 L C 0.071 176.683 176.870 -0.431 0.000 1.044 183 L CA -0.213 54.447 54.840 -0.300 0.000 0.810 183 L CB 0.886 42.831 42.059 -0.189 0.000 1.193 183 L HN 0.960 nan 8.230 nan 0.000 0.425 184 R N 3.907 124.201 120.500 -0.344 0.000 2.407 184 R HA 0.443 4.783 4.340 -0.000 0.000 0.303 184 R C -1.636 174.541 176.300 -0.205 0.000 0.981 184 R CA -0.536 55.395 56.100 -0.283 0.000 0.905 184 R CB 0.856 31.067 30.300 -0.149 0.000 1.099 184 R HN 0.525 nan 8.270 nan 0.000 0.459 185 Y N 3.575 123.900 120.300 0.042 0.000 2.335 185 Y HA 0.367 4.917 4.550 -0.000 0.000 0.338 185 Y C 0.049 175.958 175.900 0.015 0.000 0.977 185 Y CA -0.897 57.222 58.100 0.032 0.000 1.114 185 Y CB 1.963 40.427 38.460 0.006 0.000 1.182 185 Y HN 0.345 nan 8.280 nan 0.000 0.463 186 V N 0.013 120.015 119.914 0.147 0.000 2.914 186 V HA 1.014 5.134 4.120 -0.000 0.000 0.314 186 V C -0.583 175.506 176.094 -0.009 0.000 1.084 186 V CA -0.928 61.407 62.300 0.058 0.000 0.963 186 V CB 1.823 33.604 31.823 -0.069 0.000 1.025 186 V HN 0.788 nan 8.190 nan 0.000 0.432 187 S N 2.531 118.224 115.700 -0.012 0.000 2.550 187 S HA 0.961 5.430 4.470 -0.000 0.000 0.270 187 S C -1.232 173.237 174.600 -0.218 0.000 1.145 187 S CA -0.597 57.474 58.200 -0.215 0.000 0.852 187 S CB 1.836 64.953 63.200 -0.138 0.000 1.119 187 S HN 2.310 nan 8.310 nan 0.000 0.465 188 Y N -2.131 117.974 120.300 -0.324 0.000 2.638 188 Y HA 0.734 5.284 4.550 -0.000 0.000 0.334 188 Y C -3.290 172.411 175.900 -0.332 0.000 1.182 188 Y CA -1.971 55.799 58.100 -0.551 0.000 1.102 188 Y CB -0.057 37.574 38.460 -1.381 0.000 1.343 188 Y HN 0.612 nan 8.280 nan 0.000 0.463 189 P HA 0.106 nan 4.420 nan 0.000 0.271 189 P C -0.114 177.211 177.300 0.042 0.000 1.216 189 P CA 0.079 63.150 63.100 -0.048 0.000 0.776 189 P CB 1.312 33.002 31.700 -0.017 0.000 0.881 190 D N 2.286 122.700 120.400 0.024 0.000 2.271 190 D HA -0.109 4.531 4.640 -0.000 0.000 0.207 190 D C 1.903 178.261 176.300 0.097 0.000 0.983 190 D CA 1.521 55.565 54.000 0.072 0.000 0.878 190 D CB -0.483 40.341 40.800 0.041 0.000 0.920 190 D HN 0.648 nan 8.370 nan 0.000 0.479 191 G N -0.562 108.282 108.800 0.074 0.000 3.088 191 G HA2 0.194 4.154 3.960 -0.000 0.000 0.212 191 G HA3 0.194 4.154 3.960 -0.000 0.000 0.212 191 G C 1.172 176.127 174.900 0.092 0.000 1.173 191 G CA 0.532 45.676 45.100 0.074 0.000 0.779 191 G HN 0.301 nan 8.290 nan 0.000 0.540 192 A N -0.013 122.874 122.820 0.111 0.000 2.343 192 A HA 0.659 4.979 4.320 -0.000 0.000 0.223 192 A C 2.219 179.880 177.584 0.128 0.000 1.214 192 A CA 0.958 53.071 52.037 0.126 0.000 0.900 192 A CB 0.077 19.101 19.000 0.040 0.000 0.942 192 A HN 0.492 nan 8.150 nan 0.000 0.507 193 A N -0.047 122.862 122.820 0.150 0.000 2.272 193 A HA 0.150 4.470 4.320 -0.000 0.000 0.213 193 A C 1.845 179.497 177.584 0.113 0.000 1.183 193 A CA 1.345 53.473 52.037 0.151 0.000 0.719 193 A CB -0.851 18.270 19.000 0.202 0.000 0.771 193 A HN 0.697 nan 8.150 nan 0.000 0.484 194 G N -1.113 107.752 108.800 0.108 0.000 2.880 194 G HA2 0.198 4.157 3.960 -0.000 0.000 0.209 194 G HA3 0.198 4.157 3.960 -0.000 0.000 0.209 194 G C 0.286 175.239 174.900 0.087 0.000 1.157 194 G CA -0.142 45.012 45.100 0.090 0.000 0.779 194 G HN 0.458 nan 8.290 nan 0.000 0.539 195 E N 1.125 121.386 120.200 0.103 0.000 2.344 195 E HA 0.200 4.550 4.350 -0.000 0.000 0.270 195 E C -0.840 175.798 176.600 0.062 0.000 1.021 195 E CA -1.982 54.460 56.400 0.069 0.000 0.887 195 E CB 1.528 31.265 29.700 0.063 0.000 0.997 195 E HN 0.045 nan 8.360 nan 0.000 0.429 196 P HA -0.154 nan 4.420 nan 0.000 0.218 196 P C 0.345 177.747 177.300 0.170 0.000 1.146 196 P CA 1.496 64.658 63.100 0.103 0.000 0.813 196 P CB 0.355 32.120 31.700 0.108 0.000 0.778 197 F N -3.066 116.817 119.950 -0.111 0.000 1.811 197 F HA 0.262 4.789 4.527 -0.000 0.000 0.236 197 F C -1.140 174.487 175.800 -0.288 0.000 1.263 197 F CA -0.432 57.446 58.000 -0.205 0.000 1.261 197 F CB 0.118 38.882 39.000 -0.394 0.000 2.023 197 F HN -0.351 nan 8.300 nan 0.000 0.129 198 L N 1.165 122.004 121.223 -0.641 0.000 2.409 198 L HA 0.577 4.917 4.340 -0.000 0.000 0.255 198 L C -2.650 173.954 176.870 -0.443 0.000 1.027 198 L CA -2.225 52.108 54.840 -0.844 0.000 0.834 198 L CB 1.537 43.036 42.059 -0.932 0.000 1.426 198 L HN -0.095 nan 8.230 nan 0.000 0.411 199 P HA 0.335 nan 4.420 nan 0.000 0.263 199 P C 0.460 177.747 177.300 -0.022 0.000 1.195 199 P CA 1.000 63.938 63.100 -0.270 0.000 0.762 199 P CB 0.619 32.153 31.700 -0.277 0.000 0.799 200 G N 1.889 110.695 108.800 0.010 0.000 2.259 200 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 200 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 200 G C -0.108 174.776 174.900 -0.027 0.000 1.001 200 G CA -0.619 44.478 45.100 -0.004 0.000 0.627 200 G HN 0.386 nan 8.290 nan 0.000 0.501 201 F N 1.978 121.905 119.950 -0.038 0.000 2.394 201 F HA 0.623 5.150 4.527 -0.000 0.000 0.340 201 F C 0.685 176.487 175.800 0.003 0.000 1.105 201 F CA -0.627 57.385 58.000 0.021 0.000 1.124 201 F CB 1.475 40.555 39.000 0.133 0.000 1.145 201 F HN 0.170 nan 8.300 nan 0.000 0.505 202 E N 1.445 121.718 120.200 0.122 0.000 2.266 202 E HA 0.489 4.839 4.350 -0.000 0.000 0.277 202 E C 0.125 176.788 176.600 0.106 0.000 1.018 202 E CA -0.661 55.784 56.400 0.076 0.000 0.840 202 E CB 1.066 30.777 29.700 0.018 0.000 1.082 202 E HN 0.788 nan 8.360 nan 0.000 0.395 203 G N 1.725 110.573 108.800 0.080 0.000 2.491 203 G HA2 0.366 4.325 3.960 -0.000 0.000 0.242 203 G HA3 0.366 4.325 3.960 -0.000 0.000 0.242 203 G C -0.807 174.127 174.900 0.056 0.000 1.266 203 G CA -0.409 44.736 45.100 0.074 0.000 0.844 203 G HN 0.371 nan 8.290 nan 0.000 0.571 204 V N 1.542 121.488 119.914 0.054 0.000 2.447 204 V HA 0.580 4.700 4.120 -0.000 0.000 0.292 204 V C 0.509 176.624 176.094 0.035 0.000 1.021 204 V CA -0.923 61.401 62.300 0.040 0.000 0.850 204 V CB 1.012 32.859 31.823 0.040 0.000 1.005 204 V HN 1.135 nan 8.190 nan 0.000 0.426 205 A N 3.492 126.330 122.820 0.030 0.000 2.388 205 A HA 0.636 4.956 4.320 -0.000 0.000 0.257 205 A C 0.716 178.315 177.584 0.024 0.000 1.095 205 A CA 0.141 52.194 52.037 0.027 0.000 0.791 205 A CB 0.541 19.556 19.000 0.025 0.000 1.029 205 A HN 1.303 nan 8.150 nan 0.000 0.489 206 S N 2.123 117.837 115.700 0.024 0.000 2.256 206 S HA 0.356 4.826 4.470 -0.000 0.000 0.210 206 S C -1.542 173.072 174.600 0.023 0.000 1.329 206 S CA -0.674 57.540 58.200 0.023 0.000 1.267 206 S CB 0.331 63.544 63.200 0.021 0.000 1.086 206 S HN 0.617 nan 8.310 nan 0.000 0.468 207 P HA -0.046 nan 4.420 nan 0.000 0.215 207 P C 1.452 178.766 177.300 0.024 0.000 1.153 207 P CA 1.593 64.707 63.100 0.022 0.000 0.853 207 P CB -0.449 31.263 31.700 0.020 0.000 0.788 208 G N -0.781 108.034 108.800 0.025 0.000 3.088 208 G HA2 0.336 4.296 3.960 -0.000 0.000 0.212 208 G HA3 0.336 4.296 3.960 -0.000 0.000 0.212 208 G C 0.465 175.386 174.900 0.035 0.000 1.173 208 G CA 0.296 45.413 45.100 0.028 0.000 0.779 208 G HN 0.566 nan 8.290 nan 0.000 0.540 209 A N -0.070 122.770 122.820 0.032 0.000 2.318 209 A HA 0.877 5.197 4.320 -0.000 0.000 0.324 209 A C -0.056 177.548 177.584 0.033 0.000 1.170 209 A CA -0.054 52.005 52.037 0.035 0.000 0.810 209 A CB 1.457 20.473 19.000 0.026 0.000 1.198 209 A HN 0.771 nan 8.150 nan 0.000 0.484 210 A N 2.287 125.136 122.820 0.047 0.000 2.384 210 A HA 0.755 5.075 4.320 -0.000 0.000 0.312 210 A C -0.309 177.304 177.584 0.048 0.000 1.113 210 A CA -0.276 51.793 52.037 0.054 0.000 0.779 210 A CB 0.898 19.944 19.000 0.076 0.000 1.307 210 A HN 0.978 nan 8.150 nan 0.000 0.436 211 D N -1.310 119.113 120.400 0.038 0.000 2.539 211 D HA 0.420 5.060 4.640 -0.000 0.000 0.276 211 D C -0.440 175.977 176.300 0.194 0.000 1.206 211 D CA -0.159 53.825 54.000 -0.027 0.000 1.081 211 D CB 0.252 41.029 40.800 -0.038 0.000 1.142 211 D HN 0.311 nan 8.370 nan 0.000 0.595 212 Y N -1.387 118.904 120.300 -0.015 0.000 2.612 212 Y HA 0.420 4.970 4.550 -0.000 0.000 0.250 212 Y C 1.532 177.422 175.900 -0.016 0.000 1.175 212 Y CA -0.527 57.559 58.100 -0.023 0.000 1.205 212 Y CB 0.565 39.007 38.460 -0.030 0.000 1.201 212 Y HN 0.780 nan 8.280 nan 0.000 0.532 213 G N 0.218 109.087 108.800 0.116 0.000 2.176 213 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.232 213 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.232 213 G C 0.006 174.927 174.900 0.036 0.000 0.986 213 G CA -0.301 44.836 45.100 0.062 0.000 0.643 213 G HN 0.208 nan 8.290 nan 0.000 0.522 214 L N 1.253 122.494 121.223 0.030 0.000 2.410 214 L HA 0.491 4.831 4.340 -0.000 0.000 0.273 214 L C 1.499 178.352 176.870 -0.027 0.000 1.152 214 L CA 0.674 55.514 54.840 0.001 0.000 0.855 214 L CB 1.511 43.570 42.059 -0.000 0.000 1.129 214 L HN 0.210 nan 8.230 nan 0.000 0.463 215 S N 3.169 118.842 115.700 -0.045 0.000 2.613 215 S HA 0.242 4.712 4.470 -0.000 0.000 0.235 215 S C 0.152 174.699 174.600 -0.087 0.000 1.073 215 S CA -0.315 57.855 58.200 -0.050 0.000 0.899 215 S CB 0.391 63.577 63.200 -0.025 0.000 0.818 215 S HN 0.794 nan 8.310 nan 0.000 0.484 216 R N -0.883 119.540 120.500 -0.128 0.000 2.728 216 R HA 0.350 4.690 4.340 -0.000 0.000 0.274 216 R C -1.685 174.487 176.300 -0.214 0.000 1.032 216 R CA -0.794 55.211 56.100 -0.159 0.000 0.866 216 R CB -0.109 30.184 30.300 -0.011 0.000 1.263 216 R HN 0.108 nan 8.270 nan 0.000 0.475 217 F N 0.919 120.810 119.950 -0.098 0.000 2.443 217 F HA 0.134 4.661 4.527 -0.000 0.000 0.353 217 F C 1.301 177.035 175.800 -0.111 0.000 1.101 217 F CA 0.269 58.113 58.000 -0.260 0.000 1.226 217 F CB 1.313 39.864 39.000 -0.749 0.000 1.140 217 F HN 0.804 nan 8.300 nan 0.000 0.557 218 D N 0.010 120.473 120.400 0.107 0.000 2.490 218 D HA -0.009 4.631 4.640 -0.000 0.000 0.244 218 D C -0.269 176.242 176.300 0.353 0.000 0.979 218 D CA 0.599 54.726 54.000 0.212 0.000 0.924 218 D CB 0.412 41.334 40.800 0.204 0.000 1.075 218 D HN 0.562 nan 8.370 nan 0.000 0.488 219 H N -1.456 117.685 119.070 0.119 0.000 3.079 219 H HA 0.394 4.950 4.556 -0.000 0.000 0.356 219 H C -1.414 173.872 175.328 -0.069 0.000 1.221 219 H CA -0.967 55.147 56.048 0.110 0.000 1.185 219 H CB 0.296 30.181 29.762 0.206 0.000 1.882 219 H HN -0.062 nan 8.280 nan 0.000 0.543 220 I N 2.618 123.186 120.570 -0.004 0.000 2.439 220 I HA 0.279 4.449 4.170 -0.000 0.000 0.285 220 I C -0.456 175.604 176.117 -0.095 0.000 1.021 220 I CA -1.023 60.175 61.300 -0.170 0.000 1.091 220 I CB 2.049 39.903 38.000 -0.243 0.000 1.242 220 I HN 0.264 nan 8.210 nan 0.000 0.439 221 V N 5.008 124.762 119.914 -0.267 0.000 2.435 221 V HA 0.682 4.802 4.120 -0.000 0.000 0.290 221 V C 0.597 176.504 176.094 -0.312 0.000 1.030 221 V CA -0.469 61.670 62.300 -0.269 0.000 0.881 221 V CB 1.572 33.131 31.823 -0.439 0.000 0.983 221 V HN 0.860 nan 8.190 nan 0.000 0.445 222 G N 2.521 111.122 108.800 -0.332 0.000 2.417 222 G HA2 0.566 4.526 3.960 -0.000 0.000 0.334 222 G HA3 0.566 4.526 3.960 -0.000 0.000 0.334 222 G C -0.854 173.639 174.900 -0.678 0.000 1.150 222 G CA -0.628 44.031 45.100 -0.735 0.000 0.923 222 G HN 0.568 nan 8.290 nan 0.000 0.485 223 N N -0.230 118.031 118.700 -0.731 0.000 2.392 223 N HA 0.591 5.331 4.740 -0.000 0.000 0.283 223 N C -0.235 175.083 175.510 -0.319 0.000 1.003 223 N CA -0.385 52.378 53.050 -0.479 0.000 0.892 223 N CB 2.088 40.242 38.487 -0.554 0.000 1.193 223 N HN 0.540 nan 8.380 nan 0.000 0.487 224 V N 0.525 120.321 119.914 -0.197 0.000 2.962 224 V HA 0.674 4.794 4.120 -0.000 0.000 0.313 224 V C -1.958 174.123 176.094 -0.023 0.000 1.099 224 V CA -1.703 60.540 62.300 -0.094 0.000 0.971 224 V CB 2.589 34.363 31.823 -0.082 0.000 1.028 224 V HN 0.395 nan 8.190 nan 0.000 0.430 225 P HA 0.024 nan 4.420 nan 0.000 0.217 225 P C 0.187 177.506 177.300 0.031 0.000 1.151 225 P CA 1.085 64.213 63.100 0.046 0.000 0.828 225 P CB 0.488 32.227 31.700 0.066 0.000 0.788 226 E N -0.675 119.540 120.200 0.026 0.000 2.255 226 E HA 0.165 4.515 4.350 -0.000 0.000 0.256 226 E C 0.299 176.914 176.600 0.024 0.000 0.887 226 E CA -0.585 55.830 56.400 0.025 0.000 0.782 226 E CB 1.878 31.600 29.700 0.038 0.000 1.214 226 E HN -0.170 nan 8.360 nan 0.000 0.417 227 L N 3.820 125.049 121.223 0.009 0.000 1.976 227 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 227 L C 2.064 178.961 176.870 0.044 0.000 1.071 227 L CA 2.667 57.517 54.840 0.018 0.000 0.746 227 L CB -0.674 41.381 42.059 -0.006 0.000 0.890 227 L HN 0.701 nan 8.230 nan 0.000 0.432 228 A N 0.825 123.665 122.820 0.034 0.000 1.870 228 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 228 A C 0.181 177.807 177.584 0.070 0.000 1.224 228 A CA 2.733 54.795 52.037 0.042 0.000 0.650 228 A CB -2.543 16.475 19.000 0.030 0.000 0.836 228 A HN 0.569 nan 8.150 nan 0.000 0.454 229 P HA -0.119 nan 4.420 nan 0.000 0.218 229 P C 1.506 178.900 177.300 0.156 0.000 1.149 229 P CA 1.983 65.140 63.100 0.096 0.000 0.817 229 P CB -0.180 31.561 31.700 0.067 0.000 0.785 230 A N 0.607 123.518 122.820 0.152 0.000 1.897 230 A HA 0.049 4.369 4.320 -0.000 0.000 0.215 230 A C 2.531 180.309 177.584 0.325 0.000 1.181 230 A CA 1.882 54.063 52.037 0.240 0.000 0.620 230 A CB -1.454 17.653 19.000 0.179 0.000 0.821 230 A HN 0.234 nan 8.150 nan 0.000 0.443 231 A N -0.080 122.869 122.820 0.214 0.000 1.898 231 A HA 0.209 4.529 4.320 -0.000 0.000 0.216 231 A C 2.493 180.153 177.584 0.128 0.000 1.181 231 A CA 1.934 54.078 52.037 0.179 0.000 0.620 231 A CB -0.982 18.070 19.000 0.088 0.000 0.819 231 A HN 0.985 nan 8.150 nan 0.000 0.442 232 A N -1.105 121.790 122.820 0.125 0.000 1.877 232 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 232 A C 2.163 179.828 177.584 0.135 0.000 1.186 232 A CA 1.762 53.855 52.037 0.093 0.000 0.620 232 A CB -0.934 18.125 19.000 0.098 0.000 0.822 232 A HN 0.808 nan 8.150 nan 0.000 0.443 233 Y N -0.678 119.699 120.300 0.127 0.000 2.097 233 Y HA -0.228 4.321 4.550 -0.000 0.000 0.282 233 Y C 2.029 178.111 175.900 0.304 0.000 1.152 233 Y CA 2.092 60.315 58.100 0.205 0.000 1.136 233 Y CB -0.638 37.947 38.460 0.208 0.000 0.975 233 Y HN 0.320 nan 8.280 nan 0.000 0.498 234 F N 0.951 120.805 119.950 -0.160 0.000 2.060 234 F HA -0.053 4.474 4.527 -0.000 0.000 0.295 234 F C 2.395 177.765 175.800 -0.717 0.000 1.120 234 F CA 1.615 59.311 58.000 -0.506 0.000 1.205 234 F CB -1.334 37.594 39.000 -0.119 0.000 0.986 234 F HN 0.111 nan 8.300 nan 0.000 0.470 235 A N 0.434 122.952 122.820 -0.503 0.000 1.940 235 A HA -0.057 4.263 4.320 -0.000 0.000 0.219 235 A C 2.537 179.864 177.584 -0.429 0.000 1.176 235 A CA 1.732 53.433 52.037 -0.560 0.000 0.631 235 A CB -1.814 17.009 19.000 -0.294 0.000 0.814 235 A HN 0.544 nan 8.150 nan 0.000 0.446 236 G N -0.018 108.624 108.800 -0.263 0.000 2.476 236 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 236 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 236 G C 1.361 176.183 174.900 -0.129 0.000 1.164 236 G CA 1.435 46.452 45.100 -0.139 0.000 0.768 236 G HN 0.897 nan 8.290 nan 0.000 0.560 237 F N 1.339 121.144 119.950 -0.242 0.000 2.664 237 F HA 0.192 4.719 4.527 -0.000 0.000 0.296 237 F C 2.383 178.093 175.800 -0.149 0.000 1.125 237 F CA 1.441 59.324 58.000 -0.194 0.000 1.444 237 F CB -0.623 38.232 39.000 -0.242 0.000 1.114 237 F HN 0.118 nan 8.300 nan 0.000 0.576 238 T N -3.781 110.326 114.554 -0.744 0.000 3.039 238 T HA 0.410 4.760 4.350 -0.000 0.000 0.250 238 T C 1.920 176.189 174.700 -0.717 0.000 1.052 238 T CA 0.642 62.216 62.100 -0.877 0.000 1.125 238 T CB -0.350 67.282 68.868 -2.061 0.000 0.908 238 T HN 0.778 nan 8.240 nan 0.000 0.473 239 G N 1.151 109.635 108.800 -0.525 0.000 2.179 239 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.260 239 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.260 239 G C 0.119 174.918 174.900 -0.168 0.000 0.977 239 G CA -0.154 44.775 45.100 -0.285 0.000 0.641 239 G HN 0.628 nan 8.290 nan 0.000 0.533 240 F N 2.747 122.437 119.950 -0.434 0.000 2.602 240 F HA 0.287 4.814 4.527 -0.000 0.000 0.367 240 F C 1.702 177.290 175.800 -0.353 0.000 1.126 240 F CA -0.122 57.614 58.000 -0.441 0.000 1.321 240 F CB 0.397 39.003 39.000 -0.657 0.000 1.094 240 F HN 0.376 nan 8.300 nan 0.000 0.594 241 H N 1.274 120.290 119.070 -0.089 0.000 2.595 241 H HA 0.320 4.876 4.556 -0.000 0.000 0.346 241 H C -0.936 174.330 175.328 -0.103 0.000 1.181 241 H CA -1.125 54.842 56.048 -0.134 0.000 1.242 241 H CB 1.168 30.822 29.762 -0.180 0.000 1.652 241 H HN 0.660 nan 8.280 nan 0.000 0.548 242 E N 0.962 121.130 120.200 -0.053 0.000 2.344 242 E HA 0.028 4.378 4.350 -0.000 0.000 0.270 242 E C -0.574 176.037 176.600 0.018 0.000 1.021 242 E CA -0.249 56.111 56.400 -0.067 0.000 0.887 242 E CB 0.406 30.072 29.700 -0.056 0.000 0.997 242 E HN 0.559 nan 8.360 nan 0.000 0.429 243 F N 4.099 123.945 119.950 -0.172 0.000 2.553 243 F HA 0.470 4.997 4.527 -0.000 0.000 0.282 243 F C 0.011 175.764 175.800 -0.079 0.000 1.089 243 F CA 0.704 58.651 58.000 -0.087 0.000 1.411 243 F CB 0.790 39.720 39.000 -0.116 0.000 1.125 243 F HN 0.536 nan 8.300 nan 0.000 0.610 244 A N -0.025 122.820 122.820 0.043 0.000 2.586 244 A HA 0.628 4.947 4.320 -0.000 0.000 0.290 244 A C -1.498 175.873 177.584 -0.354 0.000 1.086 244 A CA -0.239 51.701 52.037 -0.161 0.000 0.665 244 A CB 1.115 20.102 19.000 -0.023 0.000 1.279 244 A HN 0.299 nan 8.150 nan 0.000 0.423 245 E N -0.697 119.111 120.200 -0.653 0.000 2.423 245 E HA 0.801 5.151 4.350 -0.000 0.000 0.280 245 E C -1.671 174.342 176.600 -0.980 0.000 1.030 245 E CA -0.652 55.381 56.400 -0.611 0.000 0.812 245 E CB 1.236 30.764 29.700 -0.287 0.000 1.313 245 E HN 0.635 nan 8.360 nan 0.000 0.456 246 F N -0.134 119.772 119.950 -0.073 0.000 2.619 246 F HA 0.786 5.313 4.527 -0.000 0.000 0.308 246 F C -0.064 175.674 175.800 -0.104 0.000 1.097 246 F CA -0.593 57.354 58.000 -0.088 0.000 0.953 246 F CB 2.885 41.814 39.000 -0.119 0.000 1.287 246 F HN 0.696 nan 8.300 nan 0.000 0.446 258 L N -0.990 120.161 121.223 -0.119 0.000 2.545 258 L HA 0.782 5.122 4.340 -0.000 0.000 0.258 258 L C -1.669 175.133 176.870 -0.115 0.000 0.942 258 L CA -1.138 53.632 54.840 -0.116 0.000 0.855 258 L CB 2.033 44.030 42.059 -0.104 0.000 1.374 258 L HN 0.091 nan 8.230 nan 0.000 0.411 259 N N 1.576 120.228 118.700 -0.080 0.000 2.384 259 N HA 0.826 5.566 4.740 -0.000 0.000 0.301 259 N C -1.111 174.381 175.510 -0.031 0.000 1.133 259 N CA -0.344 52.679 53.050 -0.046 0.000 0.853 259 N CB 2.170 40.630 38.487 -0.045 0.000 1.241 259 N HN 0.949 nan 8.380 nan 0.000 0.502 260 S N -0.369 115.330 115.700 -0.000 0.000 2.588 260 S HA 0.690 5.160 4.470 -0.000 0.000 0.269 260 S C -0.957 173.611 174.600 -0.053 0.000 1.157 260 S CA -0.921 57.274 58.200 -0.009 0.000 0.824 260 S CB 2.193 65.418 63.200 0.042 0.000 1.126 260 S HN 0.547 nan 8.310 nan 0.000 0.464 261 M N 1.967 121.523 119.600 -0.074 0.000 2.433 261 M HA 0.581 5.061 4.480 -0.000 0.000 0.290 261 M C -2.256 173.972 176.300 -0.121 0.000 1.173 261 M CA -0.653 54.579 55.300 -0.114 0.000 0.905 261 M CB 2.089 34.644 32.600 -0.075 0.000 1.692 261 M HN 0.674 nan 8.290 nan 0.000 0.462 262 V N 5.511 125.324 119.914 -0.167 0.000 2.384 262 V HA 0.498 4.618 4.120 -0.000 0.000 0.287 262 V C -0.419 175.595 176.094 -0.134 0.000 1.020 262 V CA -0.602 61.582 62.300 -0.193 0.000 0.850 262 V CB 1.467 33.080 31.823 -0.350 0.000 0.987 262 V HN 0.767 nan 8.190 nan 0.000 0.436 263 L N 4.169 125.309 121.223 -0.139 0.000 2.331 263 L HA 0.949 5.289 4.340 -0.000 0.000 0.275 263 L C 0.224 176.884 176.870 -0.351 0.000 1.022 263 L CA -0.374 54.328 54.840 -0.231 0.000 0.812 263 L CB 1.787 43.697 42.059 -0.248 0.000 1.257 263 L HN 0.753 nan 8.230 nan 0.000 0.435 264 A N 1.499 123.977 122.820 -0.569 0.000 2.515 264 A HA 0.647 4.967 4.320 -0.000 0.000 0.296 264 A C -0.835 176.265 177.584 -0.806 0.000 1.094 264 A CA -0.828 50.799 52.037 -0.683 0.000 0.718 264 A CB 1.538 20.248 19.000 -0.483 0.000 1.307 264 A HN 0.750 nan 8.150 nan 0.000 0.408 265 N N 0.862 119.068 118.700 -0.824 0.000 2.374 265 N HA 0.079 4.819 4.740 -0.000 0.000 0.284 265 N C 0.246 175.679 175.510 -0.129 0.000 1.280 265 N CA -0.223 52.454 53.050 -0.620 0.000 0.963 265 N CB -0.091 38.007 38.487 -0.648 0.000 1.141 265 N HN 0.507 nan 8.380 nan 0.000 0.565 266 N N -0.245 118.426 118.700 -0.049 0.000 2.058 266 N HA -0.159 4.581 4.740 -0.000 0.000 0.191 266 N C 1.487 177.016 175.510 0.032 0.000 1.037 266 N CA 2.107 55.169 53.050 0.019 0.000 0.848 266 N CB -0.806 37.676 38.487 -0.008 0.000 1.021 266 N HN 0.773 nan 8.380 nan 0.000 0.422 267 S N 0.309 116.015 115.700 0.009 0.000 2.603 267 S HA 0.004 4.474 4.470 -0.000 0.000 0.229 267 S C 0.311 174.957 174.600 0.077 0.000 0.972 267 S CA 0.368 58.591 58.200 0.038 0.000 0.935 267 S CB -0.356 62.875 63.200 0.051 0.000 0.769 267 S HN 0.353 nan 8.310 nan 0.000 0.536 268 E N 0.561 120.777 120.200 0.028 0.000 2.722 268 E HA -0.272 4.078 4.350 -0.000 0.000 0.265 268 E C 0.326 176.899 176.600 -0.046 0.000 1.081 268 E CA 0.935 57.341 56.400 0.010 0.000 0.781 268 E CB -2.400 27.423 29.700 0.205 0.000 1.372 268 E HN 1.078 nan 8.360 nan 0.000 0.423 269 N N -0.794 117.867 118.700 -0.066 0.000 2.280 269 N HA 0.139 4.879 4.740 -0.000 0.000 0.192 269 N C 0.037 175.444 175.510 -0.173 0.000 1.109 269 N CA -0.281 52.742 53.050 -0.045 0.000 0.855 269 N CB 0.770 39.269 38.487 0.020 0.000 0.974 269 N HN -0.082 nan 8.380 nan 0.000 0.482 270 V N 1.948 121.640 119.914 -0.369 0.000 2.378 270 V HA 0.370 4.490 4.120 -0.000 0.000 0.288 270 V C -0.729 175.100 176.094 -0.442 0.000 1.016 270 V CA -0.632 61.254 62.300 -0.691 0.000 0.840 270 V CB 1.494 32.776 31.823 -0.903 0.000 0.994 270 V HN 0.214 nan 8.190 nan 0.000 0.431 271 L N 6.800 127.955 121.223 -0.114 0.000 2.342 271 L HA 0.598 4.937 4.340 -0.000 0.000 0.276 271 L C -0.758 176.188 176.870 0.126 0.000 0.997 271 L CA -0.288 54.517 54.840 -0.058 0.000 0.838 271 L CB 1.631 43.696 42.059 0.010 0.000 1.224 271 L HN 0.441 nan 8.230 nan 0.000 0.416 272 L N 5.345 126.601 121.223 0.056 0.000 2.433 272 L HA 0.453 4.793 4.340 -0.000 0.000 0.256 272 L C -2.409 174.559 176.870 0.164 0.000 1.063 272 L CA -1.488 53.473 54.840 0.202 0.000 0.922 272 L CB 1.403 43.702 42.059 0.400 0.000 1.238 272 L HN 0.298 nan 8.230 nan 0.000 0.466 273 P HA 0.371 nan 4.420 nan 0.000 0.276 273 P C -0.883 176.416 177.300 -0.002 0.000 1.252 273 P CA -0.226 62.849 63.100 -0.042 0.000 0.802 273 P CB 1.008 32.608 31.700 -0.168 0.000 1.035 274 L N 1.997 123.204 121.223 -0.025 0.000 2.422 274 L HA 0.502 4.842 4.340 -0.000 0.000 0.264 274 L C -0.326 176.491 176.870 -0.089 0.000 0.984 274 L CA -0.700 54.101 54.840 -0.065 0.000 0.819 274 L CB 2.099 44.170 42.059 0.020 0.000 1.330 274 L HN 0.306 nan 8.230 nan 0.000 0.410 275 N N 1.653 120.268 118.700 -0.141 0.000 2.328 275 N HA 0.552 5.292 4.740 -0.000 0.000 0.299 275 N C -1.350 174.093 175.510 -0.112 0.000 1.179 275 N CA -0.664 52.321 53.050 -0.110 0.000 0.793 275 N CB 2.535 40.953 38.487 -0.115 0.000 1.366 275 N HN 0.645 nan 8.380 nan 0.000 0.493 276 E N -0.428 119.720 120.200 -0.087 0.000 2.393 276 E HA 0.594 4.944 4.350 -0.000 0.000 0.273 276 E C -3.061 173.477 176.600 -0.104 0.000 0.918 276 E CA -1.825 54.524 56.400 -0.084 0.000 0.773 276 E CB 2.924 32.583 29.700 -0.068 0.000 1.275 276 E HN 0.163 nan 8.360 nan 0.000 0.451 277 P HA 0.158 nan 4.420 nan 0.000 0.282 277 P C -0.577 176.540 177.300 -0.305 0.000 1.259 277 P CA -0.610 62.382 63.100 -0.180 0.000 0.826 277 P CB 1.377 32.985 31.700 -0.154 0.000 1.064 278 V N 3.654 123.423 119.914 -0.242 0.000 2.347 278 V HA 0.200 4.320 4.120 -0.000 0.000 0.280 278 V C 0.829 176.802 176.094 -0.201 0.000 1.021 278 V CA -0.570 61.599 62.300 -0.218 0.000 0.847 278 V CB 0.260 32.023 31.823 -0.100 0.000 0.990 278 V HN 0.590 nan 8.190 nan 0.000 0.444 279 H N 2.434 121.511 119.070 0.013 0.000 2.598 279 H HA 0.474 5.030 4.556 -0.000 0.000 0.371 279 H C 1.220 176.560 175.328 0.020 0.000 1.468 279 H CA 0.906 56.964 56.048 0.017 0.000 1.454 279 H CB 0.715 30.487 29.762 0.017 0.000 1.579 279 H HN 0.882 nan 8.280 nan 0.000 0.611 280 G N -0.454 108.460 108.800 0.190 0.000 2.950 280 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.299 280 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.299 280 G C -0.159 174.796 174.900 0.091 0.000 1.310 280 G CA 0.863 46.026 45.100 0.105 0.000 0.994 280 G HN 0.984 nan 8.290 nan 0.000 0.575 281 T N -0.421 114.177 114.554 0.074 0.000 0.541 281 T HA -0.167 4.183 4.350 -0.000 0.000 0.774 281 T C 0.920 175.667 174.700 0.078 0.000 0.992 281 T CA 1.464 63.605 62.100 0.068 0.000 4.077 281 T CB -0.283 68.618 68.868 0.055 0.000 2.303 281 T HN 1.005 nan 8.240 nan 0.000 0.398 282 K N 0.994 121.449 120.400 0.093 0.000 2.555 282 K HA 0.132 4.451 4.320 -0.000 0.000 0.193 282 K C 1.098 177.768 176.600 0.116 0.000 1.032 282 K CA 0.665 57.014 56.287 0.103 0.000 1.004 282 K CB 0.227 32.801 32.500 0.122 0.000 0.804 282 K HN 0.443 nan 8.250 nan 0.000 0.496 283 R N 0.190 120.761 120.500 0.117 0.000 2.741 283 R HA 0.145 4.485 4.340 -0.000 0.000 0.276 283 R C -1.381 174.976 176.300 0.095 0.000 1.028 283 R CA -0.881 55.292 56.100 0.121 0.000 0.865 283 R CB 1.034 31.449 30.300 0.192 0.000 1.268 283 R HN -0.118 nan 8.270 nan 0.000 0.475 284 R N 1.263 121.820 120.500 0.094 0.000 2.489 284 R HA 0.070 4.410 4.340 -0.000 0.000 0.287 284 R C -0.094 176.247 176.300 0.067 0.000 1.053 284 R CA -0.065 56.087 56.100 0.087 0.000 1.036 284 R CB 0.687 31.041 30.300 0.090 0.000 0.966 284 R HN 0.555 nan 8.270 nan 0.000 0.432 285 S N 1.909 117.644 115.700 0.060 0.000 2.533 285 S HA -0.029 4.441 4.470 -0.000 0.000 0.282 285 S C 1.161 175.789 174.600 0.046 0.000 1.304 285 S CA -0.432 57.782 58.200 0.024 0.000 1.063 285 S CB 0.647 63.852 63.200 0.007 0.000 0.881 285 S HN 0.404 nan 8.310 nan 0.000 0.493 286 Q N 3.425 123.239 119.800 0.024 0.000 2.226 286 Q HA -0.083 4.257 4.340 -0.000 0.000 0.204 286 Q C 1.798 177.862 176.000 0.107 0.000 0.975 286 Q CA 1.152 56.989 55.803 0.056 0.000 0.866 286 Q CB -0.236 28.512 28.738 0.017 0.000 0.915 286 Q HN 0.769 nan 8.270 nan 0.000 0.440 287 I N 0.327 120.940 120.570 0.072 0.000 2.315 287 I HA -0.208 3.962 4.170 -0.000 0.000 0.248 287 I C 2.295 178.503 176.117 0.152 0.000 1.117 287 I CA 1.078 62.424 61.300 0.077 0.000 1.404 287 I CB -1.010 36.988 38.000 -0.005 0.000 1.071 287 I HN 0.198 nan 8.210 nan 0.000 0.419 288 Q N 1.006 120.882 119.800 0.127 0.000 2.123 288 Q HA -0.107 4.233 4.340 -0.000 0.000 0.199 288 Q C 2.143 178.247 176.000 0.174 0.000 0.966 288 Q CA 1.855 57.749 55.803 0.151 0.000 0.845 288 Q CB -0.294 28.531 28.738 0.145 0.000 0.907 288 Q HN 0.387 nan 8.270 nan 0.000 0.439 289 T N 0.371 115.034 114.554 0.182 0.000 2.746 289 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 289 T C 1.248 176.106 174.700 0.264 0.000 1.039 289 T CA 1.343 63.574 62.100 0.218 0.000 1.142 289 T CB -0.499 68.477 68.868 0.179 0.000 0.866 289 T HN 0.414 nan 8.240 nan 0.000 0.444 290 F N 1.666 121.689 119.950 0.123 0.000 2.075 290 F HA -0.044 4.483 4.527 -0.000 0.000 0.297 290 F C 1.954 177.838 175.800 0.139 0.000 1.113 290 F CA 1.196 59.266 58.000 0.116 0.000 1.218 290 F CB -0.522 38.506 39.000 0.047 0.000 0.984 290 F HN 0.035 nan 8.300 nan 0.000 0.472 291 L N 0.129 121.541 121.223 0.314 0.000 2.042 291 L HA -0.264 4.075 4.340 -0.000 0.000 0.210 291 L C 2.191 179.094 176.870 0.055 0.000 1.076 291 L CA 1.585 56.541 54.840 0.194 0.000 0.749 291 L CB -0.859 41.322 42.059 0.203 0.000 0.893 291 L HN 0.165 nan 8.230 nan 0.000 0.432 292 D N -1.083 119.348 120.400 0.052 0.000 2.097 292 D HA -0.173 4.467 4.640 -0.000 0.000 0.197 292 D C 2.084 178.318 176.300 -0.111 0.000 0.984 292 D CA 1.474 55.455 54.000 -0.033 0.000 0.826 292 D CB -0.199 40.569 40.800 -0.052 0.000 0.973 292 D HN 0.423 nan 8.370 nan 0.000 0.460 293 H N -1.169 117.864 119.070 -0.061 0.000 2.436 293 H HA 0.012 4.568 4.556 -0.000 0.000 0.294 293 H C 1.977 177.238 175.328 -0.112 0.000 1.048 293 H CA 1.021 57.025 56.048 -0.074 0.000 1.353 293 H CB 0.128 29.857 29.762 -0.056 0.000 1.414 293 H HN 0.267 nan 8.280 nan 0.000 0.536 294 H N -0.282 118.634 119.070 -0.257 0.000 2.436 294 H HA 0.004 4.560 4.556 -0.000 0.000 0.294 294 H C 0.908 176.193 175.328 -0.071 0.000 1.048 294 H CA 0.922 56.761 56.048 -0.350 0.000 1.353 294 H CB 0.248 29.428 29.762 -0.969 0.000 1.414 294 H HN 0.548 nan 8.280 nan 0.000 0.536 295 G N -0.237 108.508 108.800 -0.091 0.000 2.165 295 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.226 295 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.226 295 G C 0.435 175.338 174.900 0.005 0.000 1.035 295 G CA 0.449 45.509 45.100 -0.067 0.000 0.744 295 G HN 0.995 nan 8.290 nan 0.000 0.501 296 G N -1.616 107.227 108.800 0.071 0.000 2.347 296 G HA2 0.475 4.435 3.960 -0.000 0.000 0.341 296 G HA3 0.475 4.435 3.960 -0.000 0.000 0.341 296 G C -2.968 172.090 174.900 0.263 0.000 1.287 296 G CA -0.042 45.137 45.100 0.132 0.000 0.984 296 G HN 0.582 nan 8.290 nan 0.000 0.526 297 P HA 0.490 nan 4.420 nan 0.000 0.269 297 P C 0.593 178.056 177.300 0.271 0.000 1.217 297 P CA 1.216 64.427 63.100 0.185 0.000 0.783 297 P CB 1.079 32.845 31.700 0.110 0.000 0.898 298 G N -0.642 108.220 108.800 0.104 0.000 2.368 298 G HA2 0.300 4.260 3.960 -0.000 0.000 0.293 298 G HA3 0.300 4.260 3.960 -0.000 0.000 0.293 298 G C -1.595 173.175 174.900 -0.216 0.000 1.467 298 G CA -0.604 44.522 45.100 0.042 0.000 0.804 298 G HN 0.331 nan 8.290 nan 0.000 0.535 299 V N 1.696 121.569 119.914 -0.069 0.000 2.446 299 V HA 0.132 4.252 4.120 -0.000 0.000 0.276 299 V C 1.581 177.449 176.094 -0.376 0.000 1.030 299 V CA 0.659 62.850 62.300 -0.181 0.000 1.033 299 V CB 1.197 32.992 31.823 -0.047 0.000 0.993 299 V HN 0.883 nan 8.190 nan 0.000 0.477 300 Q N 4.771 124.164 119.800 -0.679 0.000 2.036 300 Q HA 0.000 4.340 4.340 -0.000 0.000 0.195 300 Q C 0.531 176.155 176.000 -0.627 0.000 0.971 300 Q CA 0.976 56.292 55.803 -0.812 0.000 0.826 300 Q CB 0.304 28.551 28.738 -0.819 0.000 0.896 300 Q HN 0.932 nan 8.270 nan 0.000 0.449 301 H N -1.996 116.693 119.070 -0.635 0.000 2.980 301 H HA 0.482 5.038 4.556 -0.000 0.000 0.367 301 H C -1.471 173.701 175.328 -0.260 0.000 1.206 301 H CA -1.053 54.637 56.048 -0.597 0.000 1.126 301 H CB 1.042 30.281 29.762 -0.871 0.000 1.838 301 H HN 0.099 nan 8.280 nan 0.000 0.552 302 M N 1.972 121.540 119.600 -0.053 0.000 2.321 302 M HA 0.535 5.015 4.480 -0.000 0.000 0.315 302 M C -0.487 175.827 176.300 0.023 0.000 1.052 302 M CA -0.849 54.411 55.300 -0.067 0.000 0.936 302 M CB 2.329 34.978 32.600 0.082 0.000 1.639 302 M HN 0.749 nan 8.290 nan 0.000 0.433 303 A N 5.132 127.841 122.820 -0.185 0.000 2.260 303 A HA 0.791 5.111 4.320 -0.000 0.000 0.308 303 A C -0.809 176.745 177.584 -0.049 0.000 1.254 303 A CA -0.585 51.345 52.037 -0.178 0.000 0.874 303 A CB 0.266 18.863 19.000 -0.670 0.000 1.153 303 A HN 0.889 nan 8.150 nan 0.000 0.527 304 L N 2.431 123.660 121.223 0.010 0.000 2.313 304 L HA 0.705 5.045 4.340 -0.000 0.000 0.283 304 L C 0.452 177.317 176.870 -0.008 0.000 1.013 304 L CA -0.555 54.281 54.840 -0.007 0.000 0.816 304 L CB 1.756 43.832 42.059 0.029 0.000 1.236 304 L HN 0.726 nan 8.230 nan 0.000 0.419 305 A N 2.282 125.088 122.820 -0.023 0.000 2.295 305 A HA 0.776 5.096 4.320 -0.000 0.000 0.318 305 A C -0.257 177.318 177.584 -0.014 0.000 1.134 305 A CA -0.358 51.673 52.037 -0.010 0.000 0.827 305 A CB 1.699 20.698 19.000 -0.001 0.000 1.136 305 A HN 0.625 nan 8.150 nan 0.000 0.493 306 S N -0.671 115.026 115.700 -0.005 0.000 2.599 306 S HA 0.471 4.941 4.470 -0.000 0.000 0.287 306 S C -0.482 174.115 174.600 -0.005 0.000 1.105 306 S CA -0.624 57.575 58.200 -0.001 0.000 0.899 306 S CB 1.389 64.595 63.200 0.010 0.000 1.100 306 S HN 0.603 nan 8.310 nan 0.000 0.482 307 D N 1.168 121.566 120.400 -0.003 0.000 2.339 307 D HA 0.179 4.819 4.640 -0.000 0.000 0.217 307 D C -0.462 175.836 176.300 -0.005 0.000 1.050 307 D CA 0.448 54.444 54.000 -0.006 0.000 0.856 307 D CB 0.334 41.130 40.800 -0.006 0.000 0.922 307 D HN 0.528 nan 8.370 nan 0.000 0.518 308 D N 0.569 120.968 120.400 -0.003 0.000 2.978 308 D HA -0.008 4.632 4.640 -0.000 0.000 0.268 308 D C 1.064 177.359 176.300 -0.010 0.000 1.252 308 D CA -0.329 53.666 54.000 -0.007 0.000 0.771 308 D CB 0.326 41.122 40.800 -0.006 0.000 1.361 308 D HN -0.288 nan 8.370 nan 0.000 0.558 309 V N 1.845 121.752 119.914 -0.012 0.000 2.380 309 V HA -0.240 3.880 4.120 -0.000 0.000 0.251 309 V C 2.237 178.309 176.094 -0.037 0.000 1.063 309 V CA 1.836 64.126 62.300 -0.017 0.000 1.055 309 V CB -0.254 31.557 31.823 -0.020 0.000 0.657 309 V HN 0.539 nan 8.190 nan 0.000 0.455 310 L N -0.498 120.700 121.223 -0.041 0.000 2.046 310 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 310 L C 2.718 179.549 176.870 -0.065 0.000 1.077 310 L CA 2.257 57.061 54.840 -0.060 0.000 0.747 310 L CB -0.774 41.254 42.059 -0.051 0.000 0.896 310 L HN 0.303 nan 8.230 nan 0.000 0.432 311 R N -0.100 120.372 120.500 -0.047 0.000 2.081 311 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 311 R C 2.220 178.487 176.300 -0.055 0.000 1.131 311 R CA 2.023 58.093 56.100 -0.050 0.000 0.960 311 R CB -0.304 29.977 30.300 -0.030 0.000 0.856 311 R HN 0.234 nan 8.270 nan 0.000 0.436 312 T N 1.610 116.149 114.554 -0.024 0.000 2.746 312 T HA -0.100 4.250 4.350 -0.000 0.000 0.267 312 T C 1.787 176.476 174.700 -0.018 0.000 1.039 312 T CA 1.381 63.490 62.100 0.014 0.000 1.142 312 T CB -0.105 68.792 68.868 0.049 0.000 0.866 312 T HN 0.191 nan 8.240 nan 0.000 0.444 313 L N 0.187 121.369 121.223 -0.069 0.000 2.141 313 L HA -0.036 4.304 4.340 -0.000 0.000 0.209 313 L C 2.887 179.655 176.870 -0.171 0.000 1.094 313 L CA 1.178 55.926 54.840 -0.153 0.000 0.763 313 L CB -0.407 41.504 42.059 -0.246 0.000 0.908 313 L HN 0.161 nan 8.230 nan 0.000 0.437 314 R N -0.350 120.061 120.500 -0.148 0.000 2.075 314 R HA -0.136 4.204 4.340 -0.000 0.000 0.232 314 R C 2.249 178.437 176.300 -0.188 0.000 1.126 314 R CA 1.002 57.012 56.100 -0.150 0.000 0.963 314 R CB -0.105 30.119 30.300 -0.126 0.000 0.858 314 R HN 0.302 nan 8.270 nan 0.000 0.435 315 E N 0.506 120.556 120.200 -0.250 0.000 2.051 315 E HA -0.190 4.160 4.350 -0.000 0.000 0.192 315 E C 1.999 178.331 176.600 -0.447 0.000 0.991 315 E CA 1.377 57.482 56.400 -0.491 0.000 0.799 315 E CB -0.122 29.097 29.700 -0.801 0.000 0.748 315 E HN 0.373 nan 8.360 nan 0.000 0.449 316 M N 0.360 119.859 119.600 -0.168 0.000 2.099 316 M HA -0.176 4.304 4.480 -0.000 0.000 0.262 316 M C 2.210 178.572 176.300 0.104 0.000 1.067 316 M CA 1.489 56.835 55.300 0.078 0.000 1.124 316 M CB -0.228 32.565 32.600 0.321 0.000 1.353 316 M HN 0.027 nan 8.290 nan 0.000 0.410 317 Q N -0.315 119.506 119.800 0.036 0.000 2.369 317 Q HA 0.017 4.357 4.340 -0.000 0.000 0.206 317 Q C 1.917 177.921 176.000 0.006 0.000 0.963 317 Q CA 0.937 56.776 55.803 0.061 0.000 0.894 317 Q CB -0.095 28.607 28.738 -0.060 0.000 0.965 317 Q HN 0.531 nan 8.270 nan 0.000 0.475 318 A N 0.753 123.532 122.820 -0.069 0.000 2.168 318 A HA -0.068 4.252 4.320 -0.000 0.000 0.215 318 A C 1.702 179.259 177.584 -0.046 0.000 1.152 318 A CA 0.674 52.668 52.037 -0.072 0.000 0.716 318 A CB 0.041 18.965 19.000 -0.128 0.000 0.794 318 A HN 0.164 nan 8.150 nan 0.000 0.465 319 R N -1.138 119.328 120.500 -0.058 0.000 2.335 319 R HA 0.138 4.478 4.340 -0.000 0.000 0.210 319 R C 1.905 178.270 176.300 0.108 0.000 0.892 319 R CA 0.633 56.726 56.100 -0.011 0.000 1.048 319 R CB 0.124 30.200 30.300 -0.372 0.000 1.067 319 R HN 0.400 nan 8.270 nan 0.000 0.524 320 S N 1.618 117.375 115.700 0.095 0.000 2.372 320 S HA -0.264 4.206 4.470 -0.000 0.000 0.227 320 S C 2.109 176.764 174.600 0.092 0.000 1.044 320 S CA 1.745 60.012 58.200 0.112 0.000 1.050 320 S CB -0.230 63.065 63.200 0.158 0.000 0.901 320 S HN 0.500 nan 8.310 nan 0.000 0.447 321 A N 0.520 123.390 122.820 0.083 0.000 2.019 321 A HA 0.074 4.394 4.320 -0.000 0.000 0.219 321 A C 1.576 179.196 177.584 0.061 0.000 1.164 321 A CA 1.124 53.199 52.037 0.064 0.000 0.644 321 A CB -0.241 18.789 19.000 0.050 0.000 0.805 321 A HN 0.388 nan 8.150 nan 0.000 0.449 322 M N -0.973 118.686 119.600 0.099 0.000 2.756 322 M HA 0.270 4.750 4.480 -0.000 0.000 0.320 322 M C 1.118 177.434 176.300 0.026 0.000 1.245 322 M CA 0.436 55.776 55.300 0.066 0.000 0.972 322 M CB -0.296 32.354 32.600 0.084 0.000 1.327 322 M HN 0.683 nan 8.290 nan 0.000 0.505 323 G N -0.747 108.075 108.800 0.037 0.000 2.201 323 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.212 323 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.212 323 G C 0.520 175.405 174.900 -0.025 0.000 0.994 323 G CA -0.221 44.859 45.100 -0.033 0.000 0.644 323 G HN 0.647 nan 8.290 nan 0.000 0.508 324 G N -0.442 108.430 108.800 0.120 0.000 2.516 324 G HA2 0.553 4.513 3.960 -0.000 0.000 0.276 324 G HA3 0.553 4.513 3.960 -0.000 0.000 0.276 324 G C 0.007 174.736 174.900 -0.286 0.000 1.390 324 G CA -0.737 44.304 45.100 -0.099 0.000 1.050 324 G HN 0.319 nan 8.290 nan 0.000 0.519 325 F N -0.123 119.787 119.950 -0.067 0.000 2.389 325 F HA 0.327 4.854 4.527 -0.000 0.000 0.337 325 F C 1.017 176.698 175.800 -0.199 0.000 1.112 325 F CA -0.265 57.613 58.000 -0.202 0.000 1.192 325 F CB 1.177 39.946 39.000 -0.386 0.000 1.185 325 F HN 0.289 nan 8.300 nan 0.000 0.552 326 E N 1.495 121.701 120.200 0.010 0.000 2.250 326 E HA 0.456 4.806 4.350 -0.000 0.000 0.269 326 E C -1.268 175.229 176.600 -0.172 0.000 1.018 326 E CA -0.615 55.801 56.400 0.027 0.000 0.873 326 E CB 1.445 31.188 29.700 0.073 0.000 1.134 326 E HN 0.343 nan 8.360 nan 0.000 0.403 327 F N 0.499 120.499 119.950 0.083 0.000 2.598 327 F HA 0.352 4.879 4.527 -0.000 0.000 0.327 327 F C 0.387 176.219 175.800 0.054 0.000 1.057 327 F CA -1.043 56.996 58.000 0.065 0.000 0.957 327 F CB 1.205 40.237 39.000 0.053 0.000 1.278 327 F HN 0.225 nan 8.300 nan 0.000 0.484 328 M N 2.425 122.185 119.600 0.267 0.000 2.269 328 M HA 0.312 4.792 4.480 -0.000 0.000 0.350 328 M C 0.037 176.425 176.300 0.147 0.000 1.429 328 M CA -0.295 55.096 55.300 0.152 0.000 1.063 328 M CB 0.284 32.966 32.600 0.136 0.000 1.841 328 M HN 0.735 nan 8.290 nan 0.000 0.455 329 A N 7.341 130.231 122.820 0.117 0.000 2.587 329 A HA 0.244 4.564 4.320 -0.000 0.000 0.233 329 A C -2.386 175.236 177.584 0.064 0.000 1.049 329 A CA -0.846 51.244 52.037 0.087 0.000 0.754 329 A CB -0.920 18.122 19.000 0.069 0.000 0.977 329 A HN 0.606 nan 8.150 nan 0.000 0.509 330 P HA 0.240 nan 4.420 nan 0.000 0.267 330 P C -2.329 175.021 177.300 0.083 0.000 1.200 330 P CA -0.560 62.592 63.100 0.085 0.000 0.772 330 P CB -0.118 31.631 31.700 0.081 0.000 0.855 331 P HA 0.076 nan 4.420 nan 0.000 0.272 331 P C -0.037 177.352 177.300 0.150 0.000 1.240 331 P CA -0.147 62.926 63.100 -0.044 0.000 0.791 331 P CB 0.127 31.539 31.700 -0.480 0.000 0.978 332 T N -2.406 112.209 114.554 0.103 0.000 2.766 332 T HA 0.070 4.420 4.350 -0.000 0.000 0.295 332 T C 1.487 176.333 174.700 0.245 0.000 1.024 332 T CA 0.129 62.315 62.100 0.144 0.000 1.018 332 T CB -0.039 68.876 68.868 0.078 0.000 1.002 332 T HN 0.411 nan 8.240 nan 0.000 0.532 333 S N 0.440 116.266 115.700 0.211 0.000 2.402 333 S HA -0.254 4.216 4.470 -0.000 0.000 0.233 333 S C 1.666 176.379 174.600 0.188 0.000 1.030 333 S CA 1.532 59.873 58.200 0.236 0.000 1.003 333 S CB -0.978 62.299 63.200 0.128 0.000 0.813 333 S HN 0.922 nan 8.310 nan 0.000 0.477 334 D N 0.029 120.502 120.400 0.121 0.000 2.218 334 D HA -0.247 4.393 4.640 -0.000 0.000 0.204 334 D C 1.848 178.172 176.300 0.041 0.000 0.976 334 D CA 1.191 55.232 54.000 0.068 0.000 0.853 334 D CB -0.579 40.250 40.800 0.049 0.000 0.939 334 D HN 0.623 nan 8.370 nan 0.000 0.481 335 Y N 0.772 121.026 120.300 -0.077 0.000 2.200 335 Y HA -0.203 4.347 4.550 -0.000 0.000 0.290 335 Y C 1.792 177.515 175.900 -0.295 0.000 1.137 335 Y CA 1.385 59.352 58.100 -0.221 0.000 1.163 335 Y CB -0.527 37.717 38.460 -0.361 0.000 0.988 335 Y HN -0.178 nan 8.280 nan 0.000 0.518 336 Y N 0.957 121.265 120.300 0.014 0.000 2.439 336 Y HA -0.162 4.388 4.550 -0.000 0.000 0.292 336 Y C 2.499 178.334 175.900 -0.108 0.000 1.130 336 Y CA 1.327 59.385 58.100 -0.069 0.000 1.254 336 Y CB -0.595 37.901 38.460 0.060 0.000 1.000 336 Y HN 0.410 nan 8.280 nan 0.000 0.554 337 D N -0.528 119.881 120.400 0.016 0.000 2.178 337 D HA -0.118 4.522 4.640 -0.000 0.000 0.202 337 D C 2.263 178.512 176.300 -0.084 0.000 0.974 337 D CA 1.399 55.394 54.000 -0.008 0.000 0.841 337 D CB -0.564 40.239 40.800 0.005 0.000 0.953 337 D HN 0.342 nan 8.370 nan 0.000 0.478 338 G N 0.890 109.577 108.800 -0.189 0.000 2.402 338 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.216 338 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.216 338 G C 1.954 176.702 174.900 -0.254 0.000 1.162 338 G CA 0.986 45.944 45.100 -0.236 0.000 0.777 338 G HN 0.294 nan 8.290 nan 0.000 0.539 339 V N 0.723 120.428 119.914 -0.348 0.000 2.490 339 V HA -0.155 3.965 4.120 -0.000 0.000 0.250 339 V C 2.713 178.757 176.094 -0.082 0.000 1.061 339 V CA 2.030 64.197 62.300 -0.222 0.000 1.064 339 V CB -0.479 31.253 31.823 -0.153 0.000 0.670 339 V HN 0.431 nan 8.190 nan 0.000 0.461 340 R N 0.551 121.019 120.500 -0.055 0.000 2.062 340 R HA -0.132 4.208 4.340 -0.000 0.000 0.231 340 R C 2.580 178.861 176.300 -0.031 0.000 1.136 340 R CA 1.530 57.618 56.100 -0.021 0.000 0.948 340 R CB -0.213 30.083 30.300 -0.006 0.000 0.845 340 R HN 0.419 nan 8.270 nan 0.000 0.430 341 R N -0.092 120.381 120.500 -0.044 0.000 2.127 341 R HA -0.123 4.217 4.340 -0.000 0.000 0.238 341 R C 2.339 178.619 176.300 -0.034 0.000 1.134 341 R CA 1.735 57.814 56.100 -0.035 0.000 0.975 341 R CB -0.195 30.081 30.300 -0.039 0.000 0.865 341 R HN 0.290 nan 8.270 nan 0.000 0.447 342 R N -0.452 120.018 120.500 -0.049 0.000 2.189 342 R HA 0.154 4.494 4.340 -0.000 0.000 0.203 342 R C 1.237 177.524 176.300 -0.021 0.000 1.012 342 R CA 0.952 57.030 56.100 -0.036 0.000 1.015 342 R CB 0.524 30.792 30.300 -0.054 0.000 0.938 342 R HN 0.116 nan 8.270 nan 0.000 0.472 343 A N -0.231 122.576 122.820 -0.021 0.000 2.630 343 A HA 0.285 4.604 4.320 -0.000 0.000 0.287 343 A C 1.371 178.955 177.584 -0.000 0.000 1.040 343 A CA -0.012 52.022 52.037 -0.005 0.000 0.971 343 A CB 0.382 19.383 19.000 0.001 0.000 1.241 343 A HN 0.278 nan 8.150 nan 0.000 0.558 344 G N 1.100 109.898 108.800 -0.005 0.000 2.586 344 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.215 344 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.215 344 G C 0.909 175.810 174.900 0.002 0.000 1.128 344 G CA 1.301 46.401 45.100 -0.000 0.000 0.774 344 G HN 0.681 nan 8.290 nan 0.000 0.543 345 D N -0.417 119.984 120.400 0.002 0.000 2.360 345 D HA 0.030 4.670 4.640 -0.000 0.000 0.210 345 D C 1.723 178.026 176.300 0.005 0.000 1.047 345 D CA 0.166 54.168 54.000 0.003 0.000 0.854 345 D CB 0.200 41.003 40.800 0.004 0.000 0.936 345 D HN 0.267 nan 8.370 nan 0.000 0.514 346 V N 0.164 120.082 119.914 0.007 0.000 3.484 346 V HA 0.216 4.336 4.120 -0.000 0.000 0.252 346 V C 0.812 176.911 176.094 0.009 0.000 1.282 346 V CA 0.125 62.430 62.300 0.008 0.000 1.104 346 V CB 0.802 32.631 31.823 0.010 0.000 0.868 346 V HN 0.092 nan 8.190 nan 0.000 0.457 347 L N 1.141 122.370 121.223 0.010 0.000 2.346 347 L HA 0.522 4.862 4.340 -0.000 0.000 0.276 347 L C 0.488 177.363 176.870 0.008 0.000 1.006 347 L CA -0.333 54.513 54.840 0.011 0.000 0.817 347 L CB 2.074 44.146 42.059 0.020 0.000 1.272 347 L HN 0.234 nan 8.230 nan 0.000 0.421 348 T N -2.428 112.129 114.554 0.004 0.000 2.816 348 T HA 0.159 4.509 4.350 -0.000 0.000 0.282 348 T C 0.958 175.658 174.700 -0.000 0.000 0.993 348 T CA -0.666 61.434 62.100 0.000 0.000 0.994 348 T CB 1.337 70.203 68.868 -0.003 0.000 1.025 348 T HN 0.528 nan 8.240 nan 0.000 0.529 349 E N 0.833 121.031 120.200 -0.003 0.000 2.085 349 E HA -0.125 4.225 4.350 -0.000 0.000 0.194 349 E C 2.452 179.042 176.600 -0.016 0.000 0.994 349 E CA 1.578 57.975 56.400 -0.006 0.000 0.801 349 E CB -0.927 28.769 29.700 -0.007 0.000 0.743 349 E HN 0.839 nan 8.360 nan 0.000 0.453 350 A N 1.177 123.986 122.820 -0.018 0.000 1.902 350 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 350 A C 2.139 179.704 177.584 -0.031 0.000 1.181 350 A CA 1.610 53.631 52.037 -0.026 0.000 0.623 350 A CB -0.490 18.497 19.000 -0.022 0.000 0.818 350 A HN 0.223 nan 8.150 nan 0.000 0.443 351 Q N -0.606 119.182 119.800 -0.020 0.000 2.119 351 Q HA -0.020 4.320 4.340 -0.000 0.000 0.201 351 Q C 1.968 177.957 176.000 -0.018 0.000 0.972 351 Q CA 1.368 57.160 55.803 -0.018 0.000 0.847 351 Q CB -0.259 28.475 28.738 -0.006 0.000 0.903 351 Q HN 0.742 nan 8.270 nan 0.000 0.433 352 I N 0.582 121.147 120.570 -0.007 0.000 2.315 352 I HA -0.249 3.921 4.170 -0.000 0.000 0.248 352 I C 2.292 178.357 176.117 -0.085 0.000 1.117 352 I CA 0.854 62.159 61.300 0.008 0.000 1.404 352 I CB -0.125 37.902 38.000 0.046 0.000 1.071 352 I HN 0.069 nan 8.210 nan 0.000 0.419 353 K N 1.414 121.757 120.400 -0.096 0.000 2.097 353 K HA -0.241 4.079 4.320 -0.000 0.000 0.206 353 K C 1.922 178.418 176.600 -0.172 0.000 1.049 353 K CA 1.601 57.798 56.287 -0.150 0.000 0.933 353 K CB -0.181 32.263 32.500 -0.093 0.000 0.717 353 K HN 0.147 nan 8.250 nan 0.000 0.442 354 E N -0.026 120.104 120.200 -0.117 0.000 2.051 354 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 354 E C 1.844 178.366 176.600 -0.131 0.000 0.991 354 E CA 1.801 58.136 56.400 -0.107 0.000 0.799 354 E CB -0.738 28.919 29.700 -0.072 0.000 0.748 354 E HN 0.366 nan 8.360 nan 0.000 0.449 355 C N 0.612 119.844 119.300 -0.114 0.000 2.413 355 C HA -0.129 4.331 4.460 -0.000 0.000 0.276 355 C C 2.736 177.597 174.990 -0.214 0.000 1.248 355 C CA 1.302 60.275 59.018 -0.074 0.000 1.742 355 C CB -1.023 26.755 27.740 0.064 0.000 2.017 355 C HN 0.621 nan 8.230 nan 0.000 0.481 356 Q N 0.764 120.219 119.800 -0.574 0.000 2.084 356 Q HA -0.234 4.106 4.340 -0.000 0.000 0.202 356 Q C 2.228 177.988 176.000 -0.399 0.000 0.978 356 Q CA 1.772 56.954 55.803 -1.035 0.000 0.844 356 Q CB -0.316 27.704 28.738 -1.196 0.000 0.898 356 Q HN 0.766 nan 8.270 nan 0.000 0.426 357 E N -0.346 119.695 120.200 -0.265 0.000 2.110 357 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 357 E C 1.442 177.965 176.600 -0.129 0.000 0.988 357 E CA 0.883 57.188 56.400 -0.159 0.000 0.804 357 E CB 0.160 29.783 29.700 -0.129 0.000 0.745 357 E HN 0.325 nan 8.360 nan 0.000 0.458 358 L N -0.641 120.498 121.223 -0.140 0.000 2.529 358 L HA 0.231 4.571 4.340 -0.000 0.000 0.223 358 L C 1.631 178.423 176.870 -0.131 0.000 1.113 358 L CA 1.277 56.026 54.840 -0.151 0.000 0.861 358 L CB 0.308 42.264 42.059 -0.172 0.000 1.012 358 L HN 0.371 nan 8.230 nan 0.000 0.461 359 G N -1.015 107.756 108.800 -0.047 0.000 2.157 359 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.239 359 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.239 359 G C 0.373 175.323 174.900 0.083 0.000 0.982 359 G CA 0.142 45.268 45.100 0.043 0.000 0.650 359 G HN 0.100 nan 8.290 nan 0.000 0.527 360 V N 1.579 121.537 119.914 0.074 0.000 2.585 360 V HA 0.405 4.525 4.120 -0.000 0.000 0.296 360 V C 1.089 177.321 176.094 0.229 0.000 1.035 360 V CA 0.305 62.660 62.300 0.091 0.000 1.084 360 V CB 1.126 32.979 31.823 0.050 0.000 0.953 360 V HN 0.362 nan 8.190 nan 0.000 0.483 361 L N 5.481 126.781 121.223 0.128 0.000 2.334 361 L HA 0.687 5.027 4.340 -0.000 0.000 0.275 361 L C -0.386 176.599 176.870 0.191 0.000 1.036 361 L CA -0.546 54.395 54.840 0.169 0.000 0.807 361 L CB 1.705 43.796 42.059 0.054 0.000 1.231 361 L HN 0.342 nan 8.230 nan 0.000 0.438 362 V N 0.482 120.548 119.914 0.253 0.000 2.656 362 V HA 0.622 4.742 4.120 -0.000 0.000 0.307 362 V C -1.014 175.143 176.094 0.106 0.000 1.051 362 V CA -0.464 61.921 62.300 0.141 0.000 0.893 362 V CB 2.023 33.912 31.823 0.111 0.000 0.999 362 V HN 0.754 nan 8.190 nan 0.000 0.426 363 D N 2.013 122.457 120.400 0.074 0.000 2.599 363 D HA 0.801 5.441 4.640 -0.000 0.000 0.252 363 D C -0.689 175.638 176.300 0.045 0.000 1.232 363 D CA -0.570 53.468 54.000 0.063 0.000 0.819 363 D CB 2.522 43.372 40.800 0.083 0.000 1.401 363 D HN 0.712 nan 8.370 nan 0.000 0.429 364 R N 0.278 120.804 120.500 0.044 0.000 2.929 364 R HA 0.859 5.199 4.340 -0.000 0.000 0.259 364 R C -1.227 175.102 176.300 0.049 0.000 1.141 364 R CA -0.708 55.415 56.100 0.038 0.000 0.991 364 R CB 0.886 31.203 30.300 0.028 0.000 1.287 364 R HN 0.401 nan 8.270 nan 0.000 0.450 365 D N -2.081 118.346 120.400 0.045 0.000 3.145 365 D HA 0.114 4.754 4.640 -0.000 0.000 0.345 365 D C -0.051 176.274 176.300 0.041 0.000 1.391 365 D CA -0.388 53.643 54.000 0.052 0.000 0.930 365 D CB -0.397 40.445 40.800 0.070 0.000 1.451 365 D HN 0.549 nan 8.370 nan 0.000 0.555 366 D N -0.555 119.870 120.400 0.041 0.000 2.204 366 D HA -0.242 4.398 4.640 -0.000 0.000 0.189 366 D C 0.901 177.219 176.300 0.029 0.000 1.006 366 D CA 3.195 57.214 54.000 0.033 0.000 0.855 366 D CB 0.151 40.969 40.800 0.031 0.000 0.946 366 D HN 0.487 nan 8.370 nan 0.000 0.448 367 Q N -1.393 118.427 119.800 0.033 0.000 2.063 367 Q HA 0.391 4.731 4.340 -0.000 0.000 0.245 367 Q C -0.094 175.924 176.000 0.030 0.000 0.828 367 Q CA -0.311 55.510 55.803 0.030 0.000 1.089 367 Q CB 1.110 29.867 28.738 0.032 0.000 1.232 367 Q HN 0.189 nan 8.270 nan 0.000 0.445 368 G N 0.239 109.057 108.800 0.029 0.000 2.718 368 G HA2 0.524 4.484 3.960 -0.000 0.000 0.295 368 G HA3 0.524 4.484 3.960 -0.000 0.000 0.295 368 G C -1.598 173.313 174.900 0.019 0.000 1.421 368 G CA -0.482 44.631 45.100 0.022 0.000 0.902 368 G HN 0.025 nan 8.290 nan 0.000 0.501 369 V N 1.202 121.124 119.914 0.013 0.000 2.495 369 V HA 0.576 4.696 4.120 -0.000 0.000 0.298 369 V C -0.644 175.454 176.094 0.007 0.000 1.031 369 V CA -0.781 61.528 62.300 0.014 0.000 0.871 369 V CB 1.480 33.312 31.823 0.015 0.000 0.988 369 V HN 0.706 nan 8.190 nan 0.000 0.432 370 L N 6.199 127.429 121.223 0.011 0.000 2.296 370 L HA 0.667 5.007 4.340 -0.000 0.000 0.286 370 L C -1.038 175.844 176.870 0.020 0.000 1.023 370 L CA -0.188 54.654 54.840 0.003 0.000 0.812 370 L CB 1.332 43.389 42.059 -0.003 0.000 1.223 370 L HN 0.489 nan 8.230 nan 0.000 0.421 371 L N 5.554 126.783 121.223 0.009 0.000 2.305 371 L HA 0.610 4.950 4.340 -0.000 0.000 0.284 371 L C -0.497 176.363 176.870 -0.016 0.000 1.013 371 L CA 0.071 54.919 54.840 0.013 0.000 0.819 371 L CB 1.519 43.583 42.059 0.008 0.000 1.227 371 L HN 0.818 nan 8.230 nan 0.000 0.417 372 Q N 3.749 123.529 119.800 -0.034 0.000 2.379 372 Q HA 0.821 5.161 4.340 -0.000 0.000 0.278 372 Q C -1.475 174.409 176.000 -0.192 0.000 1.068 372 Q CA -0.808 54.914 55.803 -0.135 0.000 0.816 372 Q CB 3.031 31.661 28.738 -0.181 0.000 1.387 372 Q HN 0.529 nan 8.270 nan 0.000 0.413 373 I N 1.468 121.864 120.570 -0.291 0.000 2.752 373 I HA 0.548 4.718 4.170 -0.000 0.000 0.295 373 I C -1.838 174.121 176.117 -0.262 0.000 1.219 373 I CA -1.083 60.101 61.300 -0.193 0.000 1.030 373 I CB 1.920 39.896 38.000 -0.039 0.000 1.259 373 I HN 0.700 nan 8.210 nan 0.000 0.423 374 F N 3.907 123.955 119.950 0.163 0.000 2.469 374 F HA 0.502 5.029 4.527 -0.000 0.000 0.332 374 F C 0.730 176.588 175.800 0.096 0.000 1.103 374 F CA -0.496 57.568 58.000 0.106 0.000 0.979 374 F CB 2.075 41.039 39.000 -0.060 0.000 1.137 374 F HN 0.395 nan 8.300 nan 0.000 0.463 375 T N -0.286 114.353 114.554 0.143 0.000 2.874 375 T HA 0.473 4.823 4.350 -0.000 0.000 0.281 375 T C 0.045 174.678 174.700 -0.112 0.000 0.994 375 T CA -1.016 60.946 62.100 -0.230 0.000 1.015 375 T CB 1.010 69.582 68.868 -0.492 0.000 1.028 375 T HN 0.487 nan 8.240 nan 0.000 0.523 376 K N 1.168 121.484 120.400 -0.141 0.000 2.118 376 K HA 0.333 4.653 4.320 -0.000 0.000 0.240 376 K C -2.436 174.144 176.600 -0.033 0.000 1.035 376 K CA -1.722 54.498 56.287 -0.111 0.000 0.899 376 K CB -0.224 32.239 32.500 -0.063 0.000 1.085 376 K HN 0.414 nan 8.250 nan 0.000 0.498 377 P HA -0.124 nan 4.420 nan 0.000 0.265 377 P C 0.547 177.915 177.300 0.113 0.000 1.187 377 P CA 0.143 63.311 63.100 0.114 0.000 0.766 377 P CB 0.422 32.175 31.700 0.088 0.000 0.820 378 V N 0.647 120.649 119.914 0.147 0.000 3.406 378 V HA 0.286 4.405 4.120 -0.000 0.000 0.263 378 V C 0.809 177.094 176.094 0.319 0.000 1.172 378 V CA 1.395 63.816 62.300 0.203 0.000 1.140 378 V CB -0.740 31.148 31.823 0.109 0.000 0.784 378 V HN 0.562 nan 8.190 nan 0.000 0.467 379 G N -0.616 108.337 108.800 0.255 0.000 3.211 379 G HA2 0.423 4.383 3.960 -0.000 0.000 0.262 379 G HA3 0.423 4.383 3.960 -0.000 0.000 0.262 379 G C -0.304 174.691 174.900 0.159 0.000 1.352 379 G CA 0.270 45.512 45.100 0.236 0.000 1.004 379 G HN 0.060 nan 8.290 nan 0.000 0.559 380 D N -0.173 120.310 120.400 0.138 0.000 2.144 380 D HA -0.006 4.634 4.640 -0.000 0.000 0.200 380 D C 1.050 177.392 176.300 0.070 0.000 0.978 380 D CA 0.771 54.830 54.000 0.097 0.000 0.833 380 D CB 0.160 41.016 40.800 0.094 0.000 0.961 380 D HN 0.178 nan 8.370 nan 0.000 0.470 381 R N 1.234 121.784 120.500 0.083 0.000 2.490 381 R HA 0.218 4.558 4.340 -0.000 0.000 0.278 381 R C -2.103 174.196 176.300 -0.001 0.000 1.069 381 R CA -1.355 54.769 56.100 0.039 0.000 1.080 381 R CB 0.556 30.906 30.300 0.084 0.000 1.030 381 R HN -0.032 nan 8.270 nan 0.000 0.491 382 P HA -0.000 nan 4.420 nan 0.000 0.230 382 P C -0.157 177.159 177.300 0.026 0.000 1.791 382 P CA 0.215 63.247 63.100 -0.113 0.000 1.020 382 P CB 0.342 31.859 31.700 -0.304 0.000 1.977 383 T N -0.768 113.872 114.554 0.145 0.000 3.364 383 T HA 0.151 4.501 4.350 -0.000 0.000 0.179 383 T C 0.400 175.392 174.700 0.487 0.000 0.939 383 T CA -0.198 62.070 62.100 0.281 0.000 1.094 383 T CB -0.638 68.193 68.868 -0.063 0.000 1.532 383 T HN 0.087 nan 8.240 nan 0.000 0.346 384 L N 3.563 124.996 121.223 0.349 0.000 2.410 384 L HA 0.558 4.898 4.340 -0.000 0.000 0.273 384 L C -0.833 176.175 176.870 0.230 0.000 1.152 384 L CA -0.623 54.350 54.840 0.222 0.000 0.855 384 L CB -0.467 41.718 42.059 0.210 0.000 1.129 384 L HN 0.571 nan 8.230 nan 0.000 0.463 385 F N 3.217 123.241 119.950 0.123 0.000 2.706 385 F HA 0.801 5.328 4.527 -0.000 0.000 0.328 385 F C -1.381 174.465 175.800 0.076 0.000 1.123 385 F CA -1.424 56.603 58.000 0.044 0.000 0.978 385 F CB 0.889 39.894 39.000 0.008 0.000 1.404 385 F HN 0.271 nan 8.300 nan 0.000 0.497 386 L N 0.604 121.966 121.223 0.233 0.000 2.303 386 L HA 0.627 4.967 4.340 -0.000 0.000 0.266 386 L C -0.914 176.133 176.870 0.296 0.000 1.011 386 L CA -0.821 54.108 54.840 0.148 0.000 0.818 386 L CB 2.066 44.070 42.059 -0.092 0.000 1.326 386 L HN 0.788 nan 8.230 nan 0.000 0.435 387 E N 1.770 122.092 120.200 0.204 0.000 2.241 387 E HA 0.425 4.775 4.350 -0.000 0.000 0.263 387 E C -1.546 175.062 176.600 0.013 0.000 0.882 387 E CA -0.656 55.782 56.400 0.064 0.000 0.769 387 E CB 1.662 31.405 29.700 0.071 0.000 1.185 387 E HN 0.322 nan 8.360 nan 0.000 0.415 388 I N 6.601 127.172 120.570 0.001 0.000 2.354 388 I HA 0.448 4.618 4.170 -0.000 0.000 0.292 388 I C 0.400 176.499 176.117 -0.030 0.000 0.989 388 I CA -0.659 60.660 61.300 0.031 0.000 1.188 388 I CB 0.510 38.579 38.000 0.114 0.000 1.342 388 I HN 0.582 nan 8.210 nan 0.000 0.457 389 I N 2.840 123.401 120.570 -0.014 0.000 3.279 389 I HA 0.672 4.842 4.170 -0.000 0.000 0.315 389 I C -1.214 174.898 176.117 -0.008 0.000 1.187 389 I CA -0.828 60.460 61.300 -0.019 0.000 0.953 389 I CB 2.715 40.715 38.000 -0.000 0.000 1.279 389 I HN 0.580 nan 8.210 nan 0.000 0.465 390 Q N 1.719 121.513 119.800 -0.010 0.000 2.320 390 Q HA 0.526 4.866 4.340 -0.000 0.000 0.272 390 Q C -1.820 174.172 176.000 -0.013 0.000 1.023 390 Q CA -0.819 54.978 55.803 -0.010 0.000 0.855 390 Q CB 2.706 31.439 28.738 -0.009 0.000 1.367 390 Q HN 0.741 nan 8.270 nan 0.000 0.406 391 R N 3.419 123.908 120.500 -0.017 0.000 2.445 391 R HA 0.592 4.932 4.340 -0.000 0.000 0.308 391 R C -0.674 175.617 176.300 -0.014 0.000 0.961 391 R CA -0.488 55.599 56.100 -0.022 0.000 0.862 391 R CB 1.366 31.644 30.300 -0.036 0.000 1.144 391 R HN 0.504 nan 8.270 nan 0.000 0.447 392 I N 2.335 122.901 120.570 -0.007 0.000 2.389 392 I HA 0.564 4.734 4.170 -0.000 0.000 0.288 392 I C 0.607 176.727 176.117 0.005 0.000 0.999 392 I CA -0.196 61.104 61.300 -0.001 0.000 1.129 392 I CB 1.887 39.888 38.000 0.003 0.000 1.288 392 I HN 0.907 nan 8.210 nan 0.000 0.444 393 G N 3.494 112.299 108.800 0.008 0.000 2.352 393 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.324 393 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.324 393 G C -0.096 174.819 174.900 0.024 0.000 1.249 393 G CA -0.529 44.581 45.100 0.016 0.000 1.053 393 G HN 0.717 nan 8.290 nan 0.000 0.492 394 C N -0.439 118.882 119.300 0.036 0.000 3.886 394 C HA -0.109 4.351 4.460 -0.000 0.000 0.295 394 C C 1.202 176.232 174.990 0.067 0.000 1.411 394 C CA 1.137 60.188 59.018 0.054 0.000 2.059 394 C CB -2.097 25.682 27.740 0.065 0.000 1.329 394 C HN 0.687 nan 8.230 nan 0.000 0.670 395 M N 0.918 120.552 119.600 0.057 0.000 3.512 395 M HA 0.236 4.715 4.480 -0.000 0.000 0.231 395 M C 0.778 177.125 176.300 0.079 0.000 1.345 395 M CA 0.487 55.827 55.300 0.067 0.000 1.504 395 M CB -0.340 32.287 32.600 0.045 0.000 1.074 395 M HN 0.400 nan 8.290 nan 0.000 0.615 396 E N 2.131 122.392 120.200 0.102 0.000 2.397 396 E HA 0.156 4.505 4.350 -0.000 0.000 0.254 396 E C 0.656 177.302 176.600 0.078 0.000 1.231 396 E CA -0.084 56.364 56.400 0.080 0.000 0.954 396 E CB 0.728 30.473 29.700 0.075 0.000 1.024 396 E HN 0.510 nan 8.360 nan 0.000 0.481 397 K N 0.231 120.658 120.400 0.045 0.000 2.449 397 K HA -0.411 3.909 4.320 -0.000 0.000 0.110 397 K C 0.245 176.872 176.600 0.044 0.000 1.308 397 K CA 1.548 57.853 56.287 0.031 0.000 0.716 397 K CB -0.887 31.615 32.500 0.004 0.000 0.474 397 K HN 0.446 nan 8.250 nan 0.000 1.048 398 D N 0.251 120.670 120.400 0.032 0.000 4.541 398 D HA -0.296 4.344 4.640 -0.000 0.000 0.226 398 D C 0.230 176.554 176.300 0.040 0.000 0.548 398 D CA 2.688 56.714 54.000 0.043 0.000 1.208 398 D CB -1.199 39.650 40.800 0.081 0.000 0.737 398 D HN 0.889 nan 8.370 nan 0.000 0.401 399 E N -0.414 119.815 120.200 0.048 0.000 6.260 399 E HA -0.293 4.056 4.350 -0.000 0.000 0.174 399 E C -0.467 176.153 176.600 0.032 0.000 1.475 399 E CA 1.168 57.591 56.400 0.038 0.000 2.515 399 E CB -0.452 29.266 29.700 0.030 0.000 1.897 399 E HN 0.604 nan 8.360 nan 0.000 0.457 400 K N -0.232 120.184 120.400 0.026 0.000 3.619 400 K HA -0.263 4.057 4.320 -0.000 0.000 0.275 400 K C 0.337 176.953 176.600 0.025 0.000 0.993 400 K CA 0.944 57.244 56.287 0.023 0.000 0.787 400 K CB -1.889 30.623 32.500 0.020 0.000 1.431 400 K HN 0.939 nan 8.250 nan 0.000 0.451 401 G N -0.349 108.467 108.800 0.026 0.000 3.141 401 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.205 401 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.205 401 G C -1.056 173.863 174.900 0.031 0.000 1.924 401 G CA -0.256 44.860 45.100 0.027 0.000 1.573 401 G HN 0.188 nan 8.290 nan 0.000 0.591 402 Q N 1.577 121.401 119.800 0.039 0.000 2.310 402 Q HA 0.672 5.012 4.340 -0.000 0.000 0.270 402 Q C -0.460 175.578 176.000 0.064 0.000 1.025 402 Q CA -0.368 55.463 55.803 0.046 0.000 0.772 402 Q CB 2.213 30.980 28.738 0.048 0.000 1.253 402 Q HN 0.636 nan 8.270 nan 0.000 0.450 403 E N 0.861 121.101 120.200 0.067 0.000 3.837 403 E HA 0.465 4.814 4.350 -0.000 0.000 0.280 403 E C -1.022 175.673 176.600 0.159 0.000 1.282 403 E CA -0.384 56.075 56.400 0.098 0.000 1.431 403 E CB 0.597 30.343 29.700 0.077 0.000 1.509 403 E HN 0.425 nan 8.360 nan 0.000 0.728 404 Y N -0.119 120.195 120.300 0.023 0.000 2.441 404 Y HA 0.247 4.797 4.550 -0.000 0.000 0.334 404 Y C -1.407 174.510 175.900 0.029 0.000 1.061 404 Y CA -0.656 57.460 58.100 0.027 0.000 1.032 404 Y CB 1.596 40.072 38.460 0.027 0.000 1.266 404 Y HN 0.328 nan 8.280 nan 0.000 0.441 405 Q N 5.506 125.170 119.800 -0.227 0.000 2.271 405 Q HA 0.412 4.752 4.340 -0.000 0.000 0.258 405 Q C -1.035 174.944 176.000 -0.036 0.000 0.936 405 Q CA -0.906 54.850 55.803 -0.077 0.000 0.909 405 Q CB 1.057 29.726 28.738 -0.115 0.000 1.253 405 Q HN 0.680 nan 8.270 nan 0.000 0.440 406 K N 1.725 122.217 120.400 0.153 0.000 2.355 406 K HA 0.206 4.526 4.320 -0.000 0.000 0.270 406 K C 0.399 177.081 176.600 0.136 0.000 1.003 406 K CA 0.031 56.458 56.287 0.233 0.000 0.957 406 K CB 0.370 32.996 32.500 0.210 0.000 0.939 406 K HN 0.723 nan 8.250 nan 0.000 0.482 407 G N -0.024 108.876 108.800 0.167 0.000 2.594 407 G HA2 0.331 4.291 3.960 -0.000 0.000 0.243 407 G HA3 0.331 4.291 3.960 -0.000 0.000 0.243 407 G C 0.897 175.828 174.900 0.052 0.000 1.229 407 G CA -0.068 45.059 45.100 0.045 0.000 0.843 407 G HN 0.792 nan 8.290 nan 0.000 0.578 408 G N -1.211 107.521 108.800 -0.113 0.000 2.175 408 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.265 408 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.265 408 G C 1.021 175.877 174.900 -0.073 0.000 0.979 408 G CA 0.769 45.754 45.100 -0.192 0.000 0.663 408 G HN 1.715 nan 8.290 nan 0.000 0.533 409 C N 0.820 120.113 119.300 -0.012 0.000 2.421 409 C HA 0.445 4.905 4.460 -0.000 0.000 0.401 409 C C 2.112 177.079 174.990 -0.039 0.000 1.493 409 C CA 1.829 60.851 59.018 0.007 0.000 1.416 409 C CB -1.327 26.418 27.740 0.009 0.000 2.451 409 C HN 2.260 nan 8.230 nan 0.000 0.624 410 G N 3.827 112.620 108.800 -0.013 0.000 2.253 410 G HA2 0.315 4.275 3.960 -0.000 0.000 0.209 410 G HA3 0.315 4.275 3.960 -0.000 0.000 0.209 410 G C 1.172 176.056 174.900 -0.027 0.000 0.997 410 G CA 0.676 45.766 45.100 -0.018 0.000 0.640 410 G HN 2.767 nan 8.290 nan 0.000 0.496 411 G N -1.135 107.602 108.800 -0.105 0.000 2.512 411 G HA2 0.208 4.168 3.960 -0.000 0.000 0.210 411 G HA3 0.208 4.168 3.960 -0.000 0.000 0.210 411 G C 0.004 174.651 174.900 -0.422 0.000 1.295 411 G CA 0.179 45.238 45.100 -0.069 0.000 0.934 411 G HN 1.079 nan 8.290 nan 0.000 0.554 412 F N 1.698 121.745 119.950 0.161 0.000 2.772 412 F HA 0.506 5.033 4.527 -0.000 0.000 0.316 412 F C 1.579 177.444 175.800 0.109 0.000 1.114 412 F CA 0.870 58.940 58.000 0.115 0.000 1.191 412 F CB 1.230 40.294 39.000 0.107 0.000 1.065 412 F HN 1.886 nan 8.300 nan 0.000 0.534 413 G N 1.206 110.111 108.800 0.176 0.000 2.164 413 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.212 413 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.212 413 G C 1.084 176.034 174.900 0.083 0.000 1.031 413 G CA 0.377 45.566 45.100 0.149 0.000 0.730 413 G HN 0.388 nan 8.290 nan 0.000 0.501 414 K N 0.102 120.494 120.400 -0.013 0.000 2.097 414 K HA 0.003 4.323 4.320 -0.000 0.000 0.206 414 K C 2.457 179.076 176.600 0.032 0.000 1.049 414 K CA 1.663 57.868 56.287 -0.138 0.000 0.933 414 K CB -0.531 31.873 32.500 -0.160 0.000 0.717 414 K HN 0.531 nan 8.250 nan 0.000 0.442 415 G N 0.258 109.104 108.800 0.077 0.000 2.882 415 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.206 415 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.206 415 G C 0.698 175.685 174.900 0.144 0.000 1.155 415 G CA 0.152 45.312 45.100 0.101 0.000 0.800 415 G HN 0.310 nan 8.290 nan 0.000 0.524 416 N N -0.842 117.960 118.700 0.170 0.000 2.143 416 N HA 0.065 4.805 4.740 -0.000 0.000 0.222 416 N C 1.035 176.662 175.510 0.195 0.000 1.264 416 N CA -0.571 52.597 53.050 0.197 0.000 0.897 416 N CB 0.183 38.789 38.487 0.199 0.000 1.092 416 N HN 0.221 nan 8.380 nan 0.000 0.516 417 F N 2.850 122.824 119.950 0.040 0.000 2.120 417 F HA -0.214 4.313 4.527 -0.000 0.000 0.300 417 F C 2.100 177.942 175.800 0.070 0.000 1.095 417 F CA 1.481 59.490 58.000 0.016 0.000 1.249 417 F CB -0.285 38.692 39.000 -0.039 0.000 0.995 417 F HN -0.068 nan 8.300 nan 0.000 0.480 418 S N -0.348 115.368 115.700 0.027 0.000 2.368 418 S HA -0.289 4.181 4.470 -0.000 0.000 0.225 418 S C 1.829 176.396 174.600 -0.056 0.000 1.030 418 S CA 1.260 59.439 58.200 -0.035 0.000 0.999 418 S CB -0.726 62.516 63.200 0.070 0.000 0.844 418 S HN 0.487 nan 8.310 nan 0.000 0.459 419 Q N 1.417 121.208 119.800 -0.015 0.000 2.167 419 Q HA 0.101 4.441 4.340 -0.000 0.000 0.202 419 Q C 1.857 177.788 176.000 -0.114 0.000 0.970 419 Q CA 1.214 56.968 55.803 -0.082 0.000 0.855 419 Q CB -0.640 27.997 28.738 -0.168 0.000 0.911 419 Q HN 0.615 nan 8.270 nan 0.000 0.438 420 L N -0.906 120.261 121.223 -0.094 0.000 2.109 420 L HA -0.049 4.291 4.340 -0.000 0.000 0.207 420 L C 2.227 179.034 176.870 -0.105 0.000 1.086 420 L CA 1.028 55.805 54.840 -0.106 0.000 0.760 420 L CB -0.530 41.467 42.059 -0.103 0.000 0.910 420 L HN 0.281 nan 8.230 nan 0.000 0.437 421 F N 1.108 120.817 119.950 -0.402 0.000 2.186 421 F HA -0.248 4.279 4.527 -0.000 0.000 0.299 421 F C 2.692 178.359 175.800 -0.222 0.000 1.090 421 F CA 1.125 58.894 58.000 -0.385 0.000 1.307 421 F CB 0.169 38.838 39.000 -0.551 0.000 1.019 421 F HN -0.042 nan 8.300 nan 0.000 0.489 422 K N 0.053 120.356 120.400 -0.161 0.000 2.097 422 K HA -0.133 4.187 4.320 -0.000 0.000 0.205 422 K C 2.032 178.552 176.600 -0.134 0.000 1.050 422 K CA 1.533 57.693 56.287 -0.212 0.000 0.938 422 K CB -0.041 32.369 32.500 -0.150 0.000 0.718 422 K HN 0.183 nan 8.250 nan 0.000 0.442 423 S N 1.534 117.178 115.700 -0.094 0.000 2.355 423 S HA -0.131 4.339 4.470 -0.000 0.000 0.222 423 S C 1.936 176.526 174.600 -0.016 0.000 1.031 423 S CA 1.409 59.577 58.200 -0.054 0.000 0.993 423 S CB -0.383 62.784 63.200 -0.055 0.000 0.859 423 S HN 0.553 nan 8.310 nan 0.000 0.453 424 I N 0.632 121.184 120.570 -0.031 0.000 2.394 424 I HA -0.108 4.061 4.170 -0.000 0.000 0.251 424 I C 2.276 178.410 176.117 0.029 0.000 1.136 424 I CA 1.726 63.022 61.300 -0.007 0.000 1.425 424 I CB -0.388 37.591 38.000 -0.036 0.000 1.079 424 I HN 0.269 nan 8.210 nan 0.000 0.425 425 E N 1.598 121.770 120.200 -0.046 0.000 2.058 425 E HA -0.294 4.056 4.350 -0.000 0.000 0.194 425 E C 1.613 178.185 176.600 -0.046 0.000 0.997 425 E CA 2.139 58.474 56.400 -0.107 0.000 0.801 425 E CB -0.052 29.464 29.700 -0.307 0.000 0.746 425 E HN 0.564 nan 8.360 nan 0.000 0.450 426 D N -0.904 119.474 120.400 -0.036 0.000 2.219 426 D HA -0.126 4.514 4.640 -0.000 0.000 0.205 426 D C 1.411 177.725 176.300 0.023 0.000 0.970 426 D CA 0.724 54.713 54.000 -0.018 0.000 0.851 426 D CB -0.181 40.604 40.800 -0.025 0.000 0.943 426 D HN 0.326 nan 8.370 nan 0.000 0.488 427 Y N 1.162 121.433 120.300 -0.048 0.000 2.130 427 Y HA -0.144 4.406 4.550 0.000 0.000 0.287 427 Y C 2.178 178.062 175.900 -0.028 0.000 1.124 427 Y CA 1.387 59.466 58.100 -0.034 0.000 1.118 427 Y CB 0.101 38.539 38.460 -0.036 0.000 0.994 427 Y HN -0.180 nan 8.280 nan 0.000 0.497 428 E N 0.604 120.982 120.200 0.297 0.000 2.171 428 E HA -0.194 4.156 4.350 -0.000 0.000 0.197 428 E C 0.912 177.552 176.600 0.067 0.000 0.997 428 E CA 1.269 57.782 56.400 0.188 0.000 0.810 428 E CB -0.084 29.684 29.700 0.113 0.000 0.738 428 E HN 0.293 nan 8.360 nan 0.000 0.467 429 K N 0.309 120.722 120.400 0.022 0.000 3.225 429 K HA 0.110 4.430 4.320 -0.000 0.000 0.282 429 K C -0.522 176.048 176.600 -0.049 0.000 1.060 429 K CA -0.090 56.185 56.287 -0.019 0.000 1.186 429 K CB 0.124 32.603 32.500 -0.034 0.000 1.214 429 K HN -0.115 nan 8.250 nan 0.000 0.428 430 S N 0.607 116.267 115.700 -0.066 0.000 2.543 430 S HA 0.445 4.915 4.470 -0.000 0.000 0.271 430 S C -1.121 173.425 174.600 -0.091 0.000 1.148 430 S CA -0.945 57.187 58.200 -0.115 0.000 0.914 430 S CB 0.709 63.770 63.200 -0.231 0.000 1.096 430 S HN 0.008 nan 8.310 nan 0.000 0.471 431 L N 0.000 121.181 121.223 -0.069 0.000 2.949 431 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 431 L CA 0.000 54.815 54.840 -0.042 0.000 0.813 431 L CB 0.000 42.045 42.059 -0.024 0.000 0.961 431 L HN 0.000 nan 8.230 nan 0.000 0.502