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 3jzu_1_F DATA FIRST_RESID 1 DATA SEQUENCE MKIKQVHVRA SKIKLKETFT IALGTIESAD SAIVEIETEE GLVGYGEGGP DATA SEQUENCE GIFITGETLA GTLETIELFG QAIIGLNPFN IEKIHEVMDK ISAFAPAAKA DATA SEQUENCE AIDIACYDLM GQKAQLPLYQ LLGGYDNQVI TDITLGIDEP NVMAQKAVEK DATA SEQUENCE VKLGFDTLKI KVGTGIEADI ARVKAIREAV GFDIKLRLDA NQAWTPKDAV DATA SEQUENCE KAIQALADYQ IELVEQPVKR RDLEGLKYVT SQVNTTIMAD ESCFDAQDAL DATA SEQUENCE ELVKKGTVDV INIKLMKCGG IHEALKINQI CETAGIECMI GCMAEETTIG DATA SEQUENCE ITAAAHLAAA QKNITRADLD ATFGLETAPV TGGVSLEAKP LLELGEAAGL DATA SEQUENCE GISH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.311 176.300 0.018 0.000 1.140 1 M CA 0.000 55.326 55.300 0.043 0.000 0.988 1 M CB 0.000 32.662 32.600 0.103 0.000 1.302 2 K N 4.830 125.226 120.400 -0.007 0.000 2.468 2 K HA 0.588 4.909 4.320 0.001 0.000 0.252 2 K C -1.212 175.362 176.600 -0.043 0.000 0.932 2 K CA -0.808 55.465 56.287 -0.023 0.000 0.794 2 K CB 2.771 35.259 32.500 -0.021 0.000 1.241 2 K HN 0.666 nan 8.250 nan 0.000 0.428 3 I N 2.943 123.478 120.570 -0.057 0.000 2.556 3 I HA -0.034 4.137 4.170 0.001 0.000 0.284 3 I C 1.460 177.537 176.117 -0.066 0.000 1.114 3 I CA 0.463 61.718 61.300 -0.075 0.000 1.418 3 I CB 0.676 38.624 38.000 -0.085 0.000 1.394 3 I HN 0.690 nan 8.210 nan 0.000 0.552 4 K N 4.155 124.508 120.400 -0.078 0.000 2.306 4 K HA 0.106 4.426 4.320 0.001 0.000 0.200 4 K C 0.329 176.879 176.600 -0.082 0.000 1.083 4 K CA 0.417 56.663 56.287 -0.068 0.000 0.959 4 K CB 0.579 33.041 32.500 -0.064 0.000 0.994 4 K HN 0.563 nan 8.250 nan 0.000 0.492 5 Q N 0.087 119.809 119.800 -0.131 0.000 2.418 5 Q HA 0.369 4.710 4.340 0.001 0.000 0.282 5 Q C -2.108 173.747 176.000 -0.242 0.000 1.044 5 Q CA -0.712 54.986 55.803 -0.174 0.000 0.813 5 Q CB 2.599 31.199 28.738 -0.230 0.000 1.428 5 Q HN -0.034 nan 8.270 nan 0.000 0.402 6 V N 3.529 123.337 119.914 -0.177 0.000 2.483 6 V HA 0.527 4.648 4.120 0.001 0.000 0.297 6 V C -1.004 175.093 176.094 0.006 0.000 1.027 6 V CA -0.592 61.633 62.300 -0.125 0.000 0.855 6 V CB 1.654 33.452 31.823 -0.043 0.000 0.995 6 V HN 0.838 nan 8.190 nan 0.000 0.424 7 H N 2.421 121.470 119.070 -0.034 0.000 2.495 7 H HA 0.759 5.316 4.556 0.001 0.000 0.348 7 H C -0.935 174.384 175.328 -0.015 0.000 1.113 7 H CA -0.816 55.219 56.048 -0.022 0.000 1.195 7 H CB 2.694 32.447 29.762 -0.015 0.000 1.521 7 H HN 0.481 nan 8.280 nan 0.000 0.509 8 V N 3.999 123.980 119.914 0.110 0.000 2.823 8 V HA 0.582 4.702 4.120 0.001 0.000 0.312 8 V C -0.981 175.133 176.094 0.033 0.000 1.072 8 V CA -0.592 61.742 62.300 0.056 0.000 0.937 8 V CB 1.833 33.670 31.823 0.023 0.000 1.013 8 V HN 0.939 nan 8.190 nan 0.000 0.430 9 R N 4.909 125.429 120.500 0.033 0.000 2.808 9 R HA 0.909 5.249 4.340 0.001 0.000 0.272 9 R C -0.805 175.502 176.300 0.012 0.000 0.995 9 R CA -0.465 55.645 56.100 0.018 0.000 0.917 9 R CB 1.981 32.299 30.300 0.030 0.000 1.217 9 R HN 0.865 nan 8.270 nan 0.000 0.471 10 A N 0.928 123.748 122.820 0.000 0.000 2.322 10 A HA 0.494 4.815 4.320 0.001 0.000 0.269 10 A C -0.441 177.145 177.584 0.003 0.000 1.094 10 A CA -0.349 51.686 52.037 -0.004 0.000 0.807 10 A CB 1.050 20.043 19.000 -0.011 0.000 1.047 10 A HN 0.646 nan 8.150 nan 0.000 0.487 11 S N 0.634 116.334 115.700 -0.001 0.000 2.733 11 S HA 0.522 4.992 4.470 0.001 0.000 0.294 11 S C -1.094 173.503 174.600 -0.006 0.000 1.149 11 S CA -0.701 57.500 58.200 0.002 0.000 1.034 11 S CB 0.334 63.538 63.200 0.007 0.000 1.015 11 S HN 0.583 nan 8.310 nan 0.000 0.486 12 K N 3.986 124.383 120.400 -0.005 0.000 2.450 12 K HA 0.574 4.895 4.320 0.001 0.000 0.257 12 K C -1.485 175.113 176.600 -0.004 0.000 0.953 12 K CA -0.558 55.724 56.287 -0.007 0.000 0.844 12 K CB 1.450 33.947 32.500 -0.006 0.000 1.103 12 K HN 0.439 nan 8.250 nan 0.000 0.429 13 I N 2.964 123.531 120.570 -0.005 0.000 2.447 13 I HA 0.175 4.346 4.170 0.001 0.000 0.287 13 I C -0.342 175.776 176.117 0.001 0.000 1.023 13 I CA -0.773 60.526 61.300 -0.002 0.000 1.083 13 I CB 1.638 39.635 38.000 -0.005 0.000 1.245 13 I HN 0.309 nan 8.210 nan 0.000 0.434 14 K N 6.161 126.565 120.400 0.008 0.000 2.326 14 K HA 0.449 4.770 4.320 0.001 0.000 0.275 14 K C -0.953 175.659 176.600 0.019 0.000 1.018 14 K CA 0.141 56.436 56.287 0.014 0.000 0.962 14 K CB 0.466 32.976 32.500 0.016 0.000 0.953 14 K HN 0.549 nan 8.250 nan 0.000 0.475 15 L N 5.166 126.405 121.223 0.027 0.000 2.350 15 L HA 0.242 4.582 4.340 0.001 0.000 0.275 15 L C 1.273 178.173 176.870 0.050 0.000 1.099 15 L CA -0.450 54.413 54.840 0.039 0.000 0.808 15 L CB 1.094 43.183 42.059 0.051 0.000 1.149 15 L HN 0.763 nan 8.230 nan 0.000 0.442 16 K N 1.189 121.624 120.400 0.058 0.000 2.211 16 K HA -0.138 4.183 4.320 0.001 0.000 0.204 16 K C 0.048 176.687 176.600 0.065 0.000 1.047 16 K CA 1.186 57.509 56.287 0.059 0.000 0.935 16 K CB 0.067 32.607 32.500 0.066 0.000 0.728 16 K HN 0.674 nan 8.250 nan 0.000 0.452 17 E N -0.404 119.849 120.200 0.089 0.000 2.392 17 E HA 0.126 4.476 4.350 0.001 0.000 0.279 17 E C -1.171 175.504 176.600 0.125 0.000 0.964 17 E CA -1.014 55.441 56.400 0.091 0.000 0.777 17 E CB 1.166 30.920 29.700 0.090 0.000 1.249 17 E HN -0.032 nan 8.360 nan 0.000 0.449 18 T N 0.163 114.773 114.554 0.093 0.000 2.834 18 T HA 0.315 4.665 4.350 0.001 0.000 0.298 18 T C -0.459 174.322 174.700 0.136 0.000 0.966 18 T CA -0.407 61.758 62.100 0.108 0.000 1.141 18 T CB -0.031 68.873 68.868 0.061 0.000 0.905 18 T HN 0.343 nan 8.240 nan 0.000 0.535 19 F N 2.359 122.326 119.950 0.030 0.000 2.399 19 F HA 0.528 5.055 4.527 0.001 0.000 0.334 19 F C 0.506 176.324 175.800 0.032 0.000 1.097 19 F CA -0.310 57.706 58.000 0.027 0.000 1.076 19 F CB 1.842 40.862 39.000 0.033 0.000 1.162 19 F HN 0.674 nan 8.300 nan 0.000 0.495 20 T N 6.582 121.026 114.554 -0.182 0.000 2.861 20 T HA 0.672 5.022 4.350 0.001 0.000 0.287 20 T C -0.603 174.031 174.700 -0.110 0.000 1.003 20 T CA -0.471 61.575 62.100 -0.090 0.000 0.977 20 T CB 1.259 70.053 68.868 -0.123 0.000 0.996 20 T HN 0.543 nan 8.240 nan 0.000 0.448 21 I N -0.699 119.828 120.570 -0.071 0.000 3.264 21 I HA 0.822 4.992 4.170 0.001 0.000 0.315 21 I C 1.277 177.291 176.117 -0.172 0.000 1.154 21 I CA -1.499 59.740 61.300 -0.103 0.000 0.962 21 I CB 1.154 39.117 38.000 -0.062 0.000 1.265 21 I HN 0.589 nan 8.210 nan 0.000 0.463 22 A N 1.557 124.269 122.820 -0.180 0.000 1.986 22 A HA -0.066 4.254 4.320 0.001 0.000 0.220 22 A C 1.936 179.381 177.584 -0.230 0.000 1.171 22 A CA 1.796 53.723 52.037 -0.184 0.000 0.640 22 A CB -0.986 17.897 19.000 -0.195 0.000 0.811 22 A HN 0.736 nan 8.150 nan 0.000 0.451 23 L N -2.114 118.891 121.223 -0.364 0.000 2.395 23 L HA 0.263 4.604 4.340 0.001 0.000 0.218 23 L C 1.336 177.845 176.870 -0.601 0.000 1.130 23 L CA 0.464 54.992 54.840 -0.520 0.000 0.826 23 L CB -0.530 41.062 42.059 -0.779 0.000 0.941 23 L HN 0.637 nan 8.230 nan 0.000 0.451 24 G N -0.679 107.814 108.800 -0.512 0.000 2.352 24 G HA2 0.170 4.131 3.960 0.001 0.000 0.283 24 G HA3 0.170 4.131 3.960 0.001 0.000 0.283 24 G C -0.954 173.922 174.900 -0.040 0.000 1.308 24 G CA -0.169 44.800 45.100 -0.219 0.000 0.892 24 G HN -0.010 nan 8.290 nan 0.000 0.504 25 T N -1.980 112.670 114.554 0.161 0.000 2.930 25 T HA 0.821 5.171 4.350 0.001 0.000 0.290 25 T C -0.515 174.352 174.700 0.278 0.000 1.052 25 T CA -0.570 61.647 62.100 0.195 0.000 1.017 25 T CB 2.218 71.147 68.868 0.102 0.000 1.137 25 T HN 1.564 nan 8.240 nan 0.000 0.511 26 I N 0.893 121.598 120.570 0.225 0.000 2.692 26 I HA 0.404 4.575 4.170 0.001 0.000 0.293 26 I C -0.117 176.074 176.117 0.124 0.000 1.200 26 I CA -0.753 60.642 61.300 0.157 0.000 1.036 26 I CB 2.102 40.186 38.000 0.140 0.000 1.258 26 I HN 1.084 nan 8.210 nan 0.000 0.421 27 E N 3.989 124.235 120.200 0.077 0.000 2.641 27 E HA 0.270 4.620 4.350 0.001 0.000 0.224 27 E C -0.339 176.286 176.600 0.041 0.000 0.951 27 E CA -0.229 56.211 56.400 0.066 0.000 1.102 27 E CB 1.071 30.804 29.700 0.055 0.000 1.091 27 E HN 0.309 nan 8.360 nan 0.000 0.507 28 S N 0.186 115.901 115.700 0.024 0.000 2.536 28 S HA 0.623 5.093 4.470 0.001 0.000 0.271 28 S C -1.598 172.994 174.600 -0.013 0.000 1.134 28 S CA -0.379 57.825 58.200 0.007 0.000 0.897 28 S CB 1.751 64.954 63.200 0.004 0.000 1.094 28 S HN 0.326 nan 8.310 nan 0.000 0.473 29 A N 3.473 126.282 122.820 -0.020 0.000 2.621 29 A HA 0.507 4.827 4.320 0.001 0.000 0.329 29 A C -0.861 176.703 177.584 -0.034 0.000 1.458 29 A CA -0.459 51.555 52.037 -0.037 0.000 1.052 29 A CB -0.147 18.828 19.000 -0.042 0.000 1.142 29 A HN 0.690 nan 8.150 nan 0.000 0.523 30 D N 2.406 122.782 120.400 -0.040 0.000 2.373 30 D HA 0.440 5.080 4.640 0.001 0.000 0.227 30 D C 0.183 176.457 176.300 -0.042 0.000 1.091 30 D CA 0.309 54.288 54.000 -0.035 0.000 0.840 30 D CB 1.555 42.334 40.800 -0.034 0.000 1.060 30 D HN 0.541 nan 8.370 nan 0.000 0.502 31 S N 0.157 115.837 115.700 -0.032 0.000 2.740 31 S HA 0.852 5.322 4.470 0.001 0.000 0.300 31 S C -0.724 173.864 174.600 -0.019 0.000 1.147 31 S CA -1.040 57.140 58.200 -0.032 0.000 0.871 31 S CB 1.957 65.138 63.200 -0.032 0.000 1.173 31 S HN 0.348 nan 8.310 nan 0.000 0.510 32 A N 0.649 123.460 122.820 -0.016 0.000 2.304 32 A HA 0.776 5.097 4.320 0.001 0.000 0.323 32 A C -0.635 176.958 177.584 0.014 0.000 1.195 32 A CA -0.793 51.241 52.037 -0.005 0.000 0.826 32 A CB -0.008 18.983 19.000 -0.016 0.000 1.184 32 A HN 0.775 nan 8.150 nan 0.000 0.496 33 I N 2.950 123.540 120.570 0.033 0.000 2.406 33 I HA 0.404 4.574 4.170 0.001 0.000 0.290 33 I C -0.687 175.474 176.117 0.074 0.000 0.999 33 I CA -0.740 60.599 61.300 0.065 0.000 1.124 33 I CB 1.994 40.047 38.000 0.088 0.000 1.289 33 I HN 0.337 nan 8.210 nan 0.000 0.441 34 V N 5.729 125.686 119.914 0.072 0.000 2.667 34 V HA 0.435 4.555 4.120 0.001 0.000 0.308 34 V C -0.355 175.737 176.094 -0.003 0.000 1.048 34 V CA -0.682 61.643 62.300 0.042 0.000 0.928 34 V CB 2.021 33.856 31.823 0.020 0.000 1.004 34 V HN 0.669 nan 8.190 nan 0.000 0.444 35 E N 3.725 123.888 120.200 -0.061 0.000 2.218 35 E HA 0.554 4.904 4.350 0.001 0.000 0.263 35 E C -1.385 175.080 176.600 -0.223 0.000 0.879 35 E CA -0.425 55.832 56.400 -0.238 0.000 0.762 35 E CB 2.512 32.097 29.700 -0.192 0.000 1.166 35 E HN 0.522 nan 8.360 nan 0.000 0.415 36 I N 2.570 122.984 120.570 -0.259 0.000 2.362 36 I HA 0.250 4.420 4.170 0.001 0.000 0.289 36 I C -0.069 175.909 176.117 -0.230 0.000 0.994 36 I CA -0.440 60.731 61.300 -0.214 0.000 1.158 36 I CB 1.492 39.392 38.000 -0.166 0.000 1.315 36 I HN 0.449 nan 8.210 nan 0.000 0.451 37 E N 4.720 124.787 120.200 -0.222 0.000 2.191 37 E HA 0.431 4.781 4.350 0.001 0.000 0.274 37 E C -0.475 176.045 176.600 -0.135 0.000 0.948 37 E CA -0.554 55.737 56.400 -0.181 0.000 0.802 37 E CB 1.731 31.322 29.700 -0.182 0.000 1.137 37 E HN 0.673 nan 8.360 nan 0.000 0.397 38 T N 0.456 114.948 114.554 -0.103 0.000 2.897 38 T HA 0.219 4.569 4.350 0.001 0.000 0.278 38 T C 1.029 175.695 174.700 -0.057 0.000 0.981 38 T CA -0.694 61.361 62.100 -0.075 0.000 0.973 38 T CB 1.088 69.921 68.868 -0.059 0.000 1.092 38 T HN 0.431 nan 8.240 nan 0.000 0.543 39 E N 0.608 120.783 120.200 -0.042 0.000 2.153 39 E HA -0.157 4.193 4.350 0.001 0.000 0.194 39 E C 1.935 178.521 176.600 -0.024 0.000 0.988 39 E CA 1.436 57.817 56.400 -0.031 0.000 0.811 39 E CB -0.074 29.612 29.700 -0.023 0.000 0.746 39 E HN 0.950 nan 8.360 nan 0.000 0.466 40 E N -0.110 120.077 120.200 -0.022 0.000 2.481 40 E HA 0.032 4.383 4.350 0.001 0.000 0.195 40 E C 1.141 177.731 176.600 -0.016 0.000 1.047 40 E CA 0.747 57.139 56.400 -0.014 0.000 0.867 40 E CB 0.223 29.918 29.700 -0.008 0.000 0.858 40 E HN 0.179 nan 8.360 nan 0.000 0.513 41 G N 1.196 109.980 108.800 -0.027 0.000 2.179 41 G HA2 -0.224 3.736 3.960 0.001 0.000 0.220 41 G HA3 -0.224 3.736 3.960 0.001 0.000 0.220 41 G C 0.163 175.041 174.900 -0.037 0.000 0.990 41 G CA 0.059 45.142 45.100 -0.028 0.000 0.646 41 G HN 0.183 nan 8.290 nan 0.000 0.517 42 L N 1.109 122.306 121.223 -0.043 0.000 2.426 42 L HA 0.514 4.854 4.340 0.001 0.000 0.271 42 L C 0.432 177.244 176.870 -0.097 0.000 1.169 42 L CA -0.433 54.375 54.840 -0.053 0.000 0.836 42 L CB 1.309 43.342 42.059 -0.044 0.000 1.112 42 L HN -0.040 nan 8.230 nan 0.000 0.465 43 V N 1.997 121.838 119.914 -0.122 0.000 2.444 43 V HA 0.563 4.684 4.120 0.001 0.000 0.294 43 V C 0.465 176.392 176.094 -0.278 0.000 1.022 43 V CA -0.535 61.624 62.300 -0.235 0.000 0.850 43 V CB 1.550 33.192 31.823 -0.302 0.000 0.992 43 V HN 0.882 nan 8.190 nan 0.000 0.426 44 G N 3.063 111.679 108.800 -0.306 0.000 2.388 44 G HA2 0.638 4.598 3.960 0.001 0.000 0.330 44 G HA3 0.638 4.598 3.960 0.001 0.000 0.330 44 G C -1.565 173.133 174.900 -0.336 0.000 1.142 44 G CA -0.378 44.591 45.100 -0.217 0.000 0.908 44 G HN 0.496 nan 8.290 nan 0.000 0.473 45 Y N 0.174 120.435 120.300 -0.066 0.000 2.377 45 Y HA 0.634 5.184 4.550 0.001 0.000 0.339 45 Y C 0.850 176.732 175.900 -0.030 0.000 1.011 45 Y CA -0.174 57.899 58.100 -0.045 0.000 1.093 45 Y CB 2.610 41.041 38.460 -0.049 0.000 1.201 45 Y HN 0.761 nan 8.280 nan 0.000 0.455 46 G N 1.408 110.279 108.800 0.119 0.000 2.680 46 G HA2 0.640 4.600 3.960 0.001 0.000 0.290 46 G HA3 0.640 4.600 3.960 0.001 0.000 0.290 46 G C -1.928 173.016 174.900 0.073 0.000 1.355 46 G CA -0.758 44.387 45.100 0.075 0.000 0.903 46 G HN 0.523 nan 8.290 nan 0.000 0.474 47 E N -1.009 119.219 120.200 0.046 0.000 2.366 47 E HA 0.588 4.938 4.350 0.001 0.000 0.278 47 E C -0.971 175.635 176.600 0.011 0.000 0.923 47 E CA -1.031 55.387 56.400 0.029 0.000 0.761 47 E CB 2.132 31.844 29.700 0.019 0.000 1.231 47 E HN 0.810 nan 8.360 nan 0.000 0.443 48 G N 1.085 109.885 108.800 -0.001 0.000 2.675 48 G HA2 0.564 4.524 3.960 0.001 0.000 0.297 48 G HA3 0.564 4.524 3.960 0.001 0.000 0.297 48 G C -0.613 174.265 174.900 -0.036 0.000 1.399 48 G CA -0.534 44.556 45.100 -0.017 0.000 0.981 48 G HN 0.417 nan 8.290 nan 0.000 0.519 49 G N 3.621 112.390 108.800 -0.051 0.000 2.547 49 G HA2 0.624 4.585 3.960 0.001 0.000 0.327 49 G HA3 0.624 4.585 3.960 0.001 0.000 0.327 49 G C -2.446 172.403 174.900 -0.085 0.000 1.118 49 G CA -1.347 43.713 45.100 -0.068 0.000 1.022 49 G HN 0.425 nan 8.290 nan 0.000 0.464 50 P HA 0.225 nan 4.420 nan 0.000 0.287 50 P C 0.295 177.511 177.300 -0.140 0.000 1.307 50 P CA -0.060 62.983 63.100 -0.095 0.000 0.777 50 P CB 1.780 33.435 31.700 -0.076 0.000 0.883 51 G N 3.821 112.529 108.800 -0.154 0.000 2.741 51 G HA2 0.163 4.124 3.960 0.001 0.000 0.336 51 G HA3 0.163 4.124 3.960 0.001 0.000 0.336 51 G C 0.903 175.654 174.900 -0.248 0.000 1.022 51 G CA -0.566 44.367 45.100 -0.278 0.000 1.193 51 G HN 0.569 nan 8.290 nan 0.000 0.455 52 I N 2.421 122.822 120.570 -0.281 0.000 2.248 52 I HA -0.195 3.975 4.170 0.001 0.000 0.248 52 I C 2.077 178.192 176.117 -0.003 0.000 1.107 52 I CA 1.421 62.649 61.300 -0.121 0.000 1.373 52 I CB 0.121 38.065 38.000 -0.095 0.000 1.055 52 I HN 0.653 nan 8.210 nan 0.000 0.418 53 F N -1.403 118.579 119.950 0.052 0.000 2.797 53 F HA 0.196 4.723 4.527 0.001 0.000 0.302 53 F C 1.588 177.433 175.800 0.075 0.000 1.130 53 F CA -0.273 57.761 58.000 0.056 0.000 1.387 53 F CB -0.263 38.760 39.000 0.039 0.000 1.107 53 F HN -0.099 nan 8.300 nan 0.000 0.577 54 I N 1.017 121.810 120.570 0.372 0.000 3.136 54 I HA -0.027 4.143 4.170 0.001 0.000 0.262 54 I C 2.237 178.558 176.117 0.340 0.000 1.132 54 I CA 1.585 63.080 61.300 0.326 0.000 1.450 54 I CB -0.726 37.390 38.000 0.194 0.000 1.315 54 I HN 0.273 nan 8.210 nan 0.000 0.460 55 T N -2.685 112.025 114.554 0.259 0.000 3.010 55 T HA 0.333 4.683 4.350 0.001 0.000 0.257 55 T C 1.490 176.416 174.700 0.376 0.000 1.020 55 T CA 0.652 63.007 62.100 0.425 0.000 0.938 55 T CB 0.800 69.843 68.868 0.293 0.000 1.049 55 T HN 0.456 nan 8.240 nan 0.000 0.522 56 G N 1.358 110.288 108.800 0.217 0.000 2.179 56 G HA2 -0.241 3.719 3.960 0.001 0.000 0.260 56 G HA3 -0.241 3.719 3.960 0.001 0.000 0.260 56 G C -0.201 174.777 174.900 0.129 0.000 0.977 56 G CA 0.175 45.375 45.100 0.167 0.000 0.641 56 G HN 0.667 nan 8.290 nan 0.000 0.533 57 E N 1.197 121.460 120.200 0.105 0.000 2.343 57 E HA 0.505 4.855 4.350 0.001 0.000 0.269 57 E C 0.820 177.414 176.600 -0.011 0.000 1.047 57 E CA 0.449 56.872 56.400 0.039 0.000 0.874 57 E CB 0.799 30.493 29.700 -0.009 0.000 1.033 57 E HN 0.437 nan 8.360 nan 0.000 0.409 58 T N -0.543 114.000 114.554 -0.017 0.000 2.940 58 T HA 0.243 4.593 4.350 0.001 0.000 0.288 58 T C 0.622 175.297 174.700 -0.042 0.000 1.045 58 T CA -0.898 61.183 62.100 -0.032 0.000 1.018 58 T CB 1.077 69.934 68.868 -0.018 0.000 1.151 58 T HN 0.317 nan 8.240 nan 0.000 0.529 59 L N 1.296 122.493 121.223 -0.044 0.000 2.109 59 L HA 0.249 4.589 4.340 0.001 0.000 0.207 59 L C 2.683 179.528 176.870 -0.042 0.000 1.086 59 L CA 2.236 57.049 54.840 -0.044 0.000 0.760 59 L CB -1.406 40.630 42.059 -0.039 0.000 0.910 59 L HN 0.925 nan 8.230 nan 0.000 0.437 60 A N -0.405 122.393 122.820 -0.036 0.000 1.877 60 A HA -0.062 4.258 4.320 0.001 0.000 0.216 60 A C 2.326 179.883 177.584 -0.046 0.000 1.186 60 A CA 1.569 53.585 52.037 -0.036 0.000 0.620 60 A CB -1.598 17.386 19.000 -0.027 0.000 0.822 60 A HN 0.509 nan 8.150 nan 0.000 0.443 61 G N -1.426 107.348 108.800 -0.043 0.000 2.408 61 G HA2 -0.098 3.862 3.960 0.001 0.000 0.217 61 G HA3 -0.098 3.862 3.960 0.001 0.000 0.217 61 G C 1.542 176.391 174.900 -0.084 0.000 1.150 61 G CA 1.590 46.658 45.100 -0.053 0.000 0.776 61 G HN 0.432 nan 8.290 nan 0.000 0.542 62 T N 1.332 115.839 114.554 -0.077 0.000 2.777 62 T HA -0.006 4.344 4.350 0.001 0.000 0.266 62 T C 2.418 177.054 174.700 -0.107 0.000 1.040 62 T CA 0.743 62.786 62.100 -0.095 0.000 1.141 62 T CB -0.165 68.661 68.868 -0.069 0.000 0.868 62 T HN 0.145 nan 8.240 nan 0.000 0.444 63 L N 0.630 121.804 121.223 -0.081 0.000 2.093 63 L HA -0.061 4.280 4.340 0.001 0.000 0.208 63 L C 2.778 179.588 176.870 -0.099 0.000 1.085 63 L CA 1.324 56.120 54.840 -0.074 0.000 0.755 63 L CB -0.437 41.591 42.059 -0.051 0.000 0.904 63 L HN 0.328 nan 8.230 nan 0.000 0.435 64 E N -0.238 119.898 120.200 -0.107 0.000 2.047 64 E HA -0.194 4.157 4.350 0.001 0.000 0.191 64 E C 1.984 178.464 176.600 -0.200 0.000 0.987 64 E CA 1.772 58.099 56.400 -0.120 0.000 0.799 64 E CB 0.126 29.769 29.700 -0.096 0.000 0.752 64 E HN 0.392 nan 8.360 nan 0.000 0.449 65 T N 1.303 115.688 114.554 -0.281 0.000 2.777 65 T HA -0.097 4.254 4.350 0.001 0.000 0.266 65 T C 1.913 176.149 174.700 -0.773 0.000 1.040 65 T CA 1.104 62.874 62.100 -0.551 0.000 1.141 65 T CB -0.148 68.382 68.868 -0.565 0.000 0.868 65 T HN 0.181 nan 8.240 nan 0.000 0.444 66 I N 0.880 121.193 120.570 -0.428 0.000 2.226 66 I HA -0.176 3.994 4.170 0.001 0.000 0.245 66 I C 2.736 178.774 176.117 -0.131 0.000 1.100 66 I CA 1.381 62.546 61.300 -0.225 0.000 1.374 66 I CB -0.360 37.598 38.000 -0.070 0.000 1.057 66 I HN 0.312 nan 8.210 nan 0.000 0.413 67 E N 1.039 121.162 120.200 -0.128 0.000 2.085 67 E HA -0.221 4.129 4.350 0.001 0.000 0.194 67 E C 2.353 178.918 176.600 -0.058 0.000 0.994 67 E CA 1.152 57.513 56.400 -0.065 0.000 0.801 67 E CB 0.014 29.676 29.700 -0.063 0.000 0.743 67 E HN 0.436 nan 8.360 nan 0.000 0.453 68 L N -0.139 121.005 121.223 -0.132 0.000 2.017 68 L HA -0.180 4.160 4.340 0.001 0.000 0.208 68 L C 2.352 179.263 176.870 0.069 0.000 1.073 68 L CA 0.811 55.606 54.840 -0.075 0.000 0.745 68 L CB -0.477 41.490 42.059 -0.154 0.000 0.894 68 L HN 0.181 nan 8.230 nan 0.000 0.432 69 F N 0.599 120.525 119.950 -0.040 0.000 2.102 69 F HA -0.116 4.412 4.527 0.001 0.000 0.298 69 F C 2.584 178.349 175.800 -0.058 0.000 1.105 69 F CA 0.980 58.946 58.000 -0.057 0.000 1.239 69 F CB -1.792 37.163 39.000 -0.074 0.000 0.991 69 F HN 0.030 nan 8.300 nan 0.000 0.474 70 G N -0.294 108.598 108.800 0.153 0.000 2.529 70 G HA2 -0.277 3.683 3.960 0.001 0.000 0.219 70 G HA3 -0.277 3.683 3.960 0.001 0.000 0.219 70 G C 1.609 176.529 174.900 0.034 0.000 1.177 70 G CA 0.847 45.984 45.100 0.060 0.000 0.773 70 G HN 0.253 nan 8.290 nan 0.000 0.573 71 Q N 0.413 120.235 119.800 0.036 0.000 2.124 71 Q HA 0.016 4.357 4.340 0.001 0.000 0.202 71 Q C 2.914 178.926 176.000 0.020 0.000 0.977 71 Q CA 1.382 57.198 55.803 0.022 0.000 0.850 71 Q CB -0.754 27.995 28.738 0.018 0.000 0.901 71 Q HN 0.489 nan 8.270 nan 0.000 0.429 72 A N 1.156 124.001 122.820 0.041 0.000 2.015 72 A HA -0.084 4.237 4.320 0.001 0.000 0.219 72 A C 1.921 179.501 177.584 -0.007 0.000 1.163 72 A CA 1.133 53.187 52.037 0.027 0.000 0.646 72 A CB -0.556 18.480 19.000 0.059 0.000 0.806 72 A HN 0.495 nan 8.150 nan 0.000 0.448 73 I N -3.223 117.337 120.570 -0.017 0.000 3.883 73 I HA 0.260 4.431 4.170 0.001 0.000 0.326 73 I C -0.368 175.719 176.117 -0.049 0.000 1.283 73 I CA -0.630 60.639 61.300 -0.051 0.000 1.161 73 I CB -0.074 37.875 38.000 -0.085 0.000 1.012 73 I HN -0.124 nan 8.210 nan 0.000 0.421 74 I N 3.717 124.267 120.570 -0.034 0.000 2.752 74 I HA 0.072 4.242 4.170 0.001 0.000 0.289 74 I C 1.566 177.662 176.117 -0.035 0.000 1.197 74 I CA 1.447 62.725 61.300 -0.037 0.000 1.432 74 I CB -0.432 37.553 38.000 -0.025 0.000 1.359 74 I HN 0.617 nan 8.210 nan 0.000 0.571 75 G N 5.306 114.083 108.800 -0.038 0.000 2.176 75 G HA2 -0.216 3.744 3.960 0.001 0.000 0.253 75 G HA3 -0.216 3.744 3.960 0.001 0.000 0.253 75 G C 0.117 174.997 174.900 -0.033 0.000 0.979 75 G CA -0.256 44.825 45.100 -0.031 0.000 0.641 75 G HN 0.468 nan 8.290 nan 0.000 0.530 76 L N 0.246 121.442 121.223 -0.044 0.000 2.352 76 L HA 0.513 4.854 4.340 0.001 0.000 0.269 76 L C 0.418 177.260 176.870 -0.045 0.000 1.034 76 L CA -1.211 53.601 54.840 -0.047 0.000 0.806 76 L CB 1.169 43.189 42.059 -0.065 0.000 1.244 76 L HN 0.117 nan 8.230 nan 0.000 0.447 77 N N 1.659 120.342 118.700 -0.028 0.000 2.444 77 N HA 0.182 4.922 4.740 0.001 0.000 0.271 77 N C -2.027 173.458 175.510 -0.042 0.000 1.069 77 N CA -1.779 51.271 53.050 0.000 0.000 0.965 77 N CB 1.860 40.380 38.487 0.054 0.000 1.092 77 N HN 0.229 nan 8.380 nan 0.000 0.476 78 P HA -0.049 nan 4.420 nan 0.000 0.219 78 P C 0.801 177.906 177.300 -0.324 0.000 1.146 78 P CA 1.083 64.037 63.100 -0.242 0.000 0.808 78 P CB 0.039 31.554 31.700 -0.308 0.000 0.779 79 F N -1.141 118.730 119.950 -0.131 0.000 2.407 79 F HA -0.039 4.488 4.527 0.001 0.000 0.299 79 F C 1.389 177.120 175.800 -0.115 0.000 1.097 79 F CA 0.823 58.749 58.000 -0.122 0.000 1.422 79 F CB -0.781 38.174 39.000 -0.075 0.000 1.067 79 F HN -0.118 nan 8.300 nan 0.000 0.539 80 N N 1.186 119.907 118.700 0.035 0.000 3.303 80 N HA -0.021 4.719 4.740 0.001 0.000 0.304 80 N C 1.261 176.716 175.510 -0.092 0.000 1.302 80 N CA 0.106 53.150 53.050 -0.010 0.000 1.213 80 N CB -0.511 37.968 38.487 -0.014 0.000 1.481 80 N HN 0.168 nan 8.380 nan 0.000 0.546 81 I N 0.388 120.880 120.570 -0.131 0.000 2.614 81 I HA -0.122 4.049 4.170 0.001 0.000 0.258 81 I C 1.771 177.751 176.117 -0.228 0.000 1.189 81 I CA 1.168 62.342 61.300 -0.211 0.000 1.462 81 I CB 0.156 38.001 38.000 -0.259 0.000 1.092 81 I HN 0.271 nan 8.210 nan 0.000 0.442 82 E N 0.576 120.691 120.200 -0.141 0.000 2.047 82 E HA -0.274 4.076 4.350 0.001 0.000 0.191 82 E C 2.123 178.668 176.600 -0.092 0.000 0.987 82 E CA 1.206 57.540 56.400 -0.109 0.000 0.799 82 E CB -0.298 29.402 29.700 0.001 0.000 0.752 82 E HN 0.528 nan 8.360 nan 0.000 0.449 83 K N 0.716 121.068 120.400 -0.079 0.000 2.103 83 K HA -0.040 4.280 4.320 0.001 0.000 0.204 83 K C 2.282 178.810 176.600 -0.120 0.000 1.052 83 K CA 0.514 56.755 56.287 -0.076 0.000 0.945 83 K CB -0.044 32.421 32.500 -0.060 0.000 0.722 83 K HN 0.016 nan 8.250 nan 0.000 0.443 84 I N 0.654 121.123 120.570 -0.168 0.000 2.163 84 I HA -0.315 3.855 4.170 0.001 0.000 0.243 84 I C 2.336 178.245 176.117 -0.347 0.000 1.085 84 I CA 1.267 62.412 61.300 -0.258 0.000 1.347 84 I CB -0.423 37.398 38.000 -0.299 0.000 1.044 84 I HN 0.334 nan 8.210 nan 0.000 0.408 85 H N 0.098 118.999 119.070 -0.282 0.000 2.428 85 H HA -0.148 4.409 4.556 0.001 0.000 0.296 85 H C 2.105 177.320 175.328 -0.187 0.000 1.062 85 H CA 1.421 57.314 56.048 -0.259 0.000 1.350 85 H CB 0.044 29.640 29.762 -0.277 0.000 1.403 85 H HN 0.456 nan 8.280 nan 0.000 0.533 86 E N 0.801 120.972 120.200 -0.049 0.000 2.077 86 E HA -0.119 4.231 4.350 0.001 0.000 0.193 86 E C 2.262 178.821 176.600 -0.068 0.000 0.989 86 E CA 1.043 57.421 56.400 -0.036 0.000 0.800 86 E CB 0.197 29.880 29.700 -0.028 0.000 0.746 86 E HN 0.088 nan 8.360 nan 0.000 0.452 87 V N 1.075 120.920 119.914 -0.115 0.000 2.343 87 V HA -0.282 3.838 4.120 0.001 0.000 0.247 87 V C 2.439 178.434 176.094 -0.165 0.000 1.051 87 V CA 1.960 64.190 62.300 -0.116 0.000 1.036 87 V CB -0.391 31.356 31.823 -0.127 0.000 0.654 87 V HN 0.394 nan 8.190 nan 0.000 0.451 88 M N -0.590 118.795 119.600 -0.358 0.000 2.175 88 M HA -0.140 4.340 4.480 0.001 0.000 0.264 88 M C 1.853 178.021 176.300 -0.219 0.000 1.063 88 M CA 1.552 56.463 55.300 -0.648 0.000 1.119 88 M CB -0.577 31.293 32.600 -1.218 0.000 1.377 88 M HN 0.292 nan 8.290 nan 0.000 0.415 89 D N 0.416 120.750 120.400 -0.110 0.000 2.219 89 D HA -0.112 4.529 4.640 0.001 0.000 0.205 89 D C 1.846 178.174 176.300 0.047 0.000 0.970 89 D CA 1.091 55.099 54.000 0.014 0.000 0.851 89 D CB -0.130 40.693 40.800 0.038 0.000 0.943 89 D HN 0.316 nan 8.370 nan 0.000 0.488 90 K N 0.259 120.674 120.400 0.025 0.000 2.167 90 K HA 0.025 4.346 4.320 0.001 0.000 0.203 90 K C 2.079 178.723 176.600 0.073 0.000 1.052 90 K CA 0.411 56.723 56.287 0.043 0.000 0.956 90 K CB 0.108 32.622 32.500 0.023 0.000 0.735 90 K HN 0.042 nan 8.250 nan 0.000 0.451 91 I N -0.048 120.587 120.570 0.107 0.000 2.202 91 I HA -0.140 4.030 4.170 0.001 0.000 0.242 91 I C 1.067 177.292 176.117 0.180 0.000 1.091 91 I CA 0.590 61.991 61.300 0.167 0.000 1.368 91 I CB 0.102 38.285 38.000 0.305 0.000 1.058 91 I HN 0.037 nan 8.210 nan 0.000 0.410 92 S N -0.402 115.443 115.700 0.242 0.000 2.532 92 S HA 0.594 5.065 4.470 0.001 0.000 0.299 92 S C 0.496 175.207 174.600 0.185 0.000 1.105 92 S CA -0.388 57.937 58.200 0.209 0.000 1.018 92 S CB 1.831 65.190 63.200 0.265 0.000 1.021 92 S HN 0.216 nan 8.310 nan 0.000 0.483 93 A N 3.723 126.645 122.820 0.170 0.000 2.119 93 A HA 0.358 4.678 4.320 0.001 0.000 0.217 93 A C 0.253 178.016 177.584 0.299 0.000 1.153 93 A CA 0.593 52.742 52.037 0.186 0.000 0.692 93 A CB -0.253 18.836 19.000 0.147 0.000 0.799 93 A HN 1.025 nan 8.150 nan 0.000 0.458 94 F N -1.945 118.070 119.950 0.107 0.000 2.911 94 F HA 0.493 5.020 4.527 0.001 0.000 0.349 94 F C -0.632 175.244 175.800 0.126 0.000 1.222 94 F CA -0.274 57.797 58.000 0.118 0.000 1.164 94 F CB 0.852 39.910 39.000 0.096 0.000 1.454 94 F HN 0.144 nan 8.300 nan 0.000 0.616 95 A N 7.403 129.969 122.820 -0.425 0.000 3.306 95 A HA 0.376 4.696 4.320 0.001 0.000 0.236 95 A C -2.465 174.969 177.584 -0.250 0.000 1.182 95 A CA -0.512 51.334 52.037 -0.320 0.000 1.024 95 A CB -0.205 18.769 19.000 -0.043 0.000 1.384 95 A HN 0.379 nan 8.150 nan 0.000 0.751 96 P HA -0.247 nan 4.420 nan 0.000 0.216 96 P C 1.616 178.858 177.300 -0.097 0.000 1.150 96 P CA 2.203 65.181 63.100 -0.203 0.000 0.843 96 P CB 0.207 31.769 31.700 -0.229 0.000 0.787 97 A N 0.489 123.236 122.820 -0.122 0.000 1.898 97 A HA -0.019 4.302 4.320 0.001 0.000 0.216 97 A C 2.543 180.120 177.584 -0.011 0.000 1.181 97 A CA 2.205 54.203 52.037 -0.065 0.000 0.620 97 A CB -1.517 17.436 19.000 -0.079 0.000 0.819 97 A HN 0.245 nan 8.150 nan 0.000 0.442 98 A N -0.240 122.584 122.820 0.006 0.000 1.898 98 A HA -0.115 4.205 4.320 0.001 0.000 0.216 98 A C 2.105 179.841 177.584 0.254 0.000 1.181 98 A CA 1.719 53.806 52.037 0.083 0.000 0.620 98 A CB -0.380 18.604 19.000 -0.027 0.000 0.819 98 A HN 0.534 nan 8.150 nan 0.000 0.442 99 K N -0.224 120.327 120.400 0.251 0.000 2.057 99 K HA -0.009 4.312 4.320 0.001 0.000 0.206 99 K C 2.293 178.920 176.600 0.044 0.000 1.050 99 K CA 1.020 57.367 56.287 0.101 0.000 0.935 99 K CB -0.304 32.219 32.500 0.038 0.000 0.715 99 K HN 0.424 nan 8.250 nan 0.000 0.439 100 A N 1.673 124.533 122.820 0.066 0.000 1.902 100 A HA -0.145 4.176 4.320 0.001 0.000 0.217 100 A C 2.393 180.010 177.584 0.054 0.000 1.181 100 A CA 1.860 53.937 52.037 0.066 0.000 0.623 100 A CB -0.738 18.281 19.000 0.032 0.000 0.818 100 A HN 0.330 nan 8.150 nan 0.000 0.443 101 A N 0.063 122.911 122.820 0.047 0.000 1.883 101 A HA -0.128 4.192 4.320 0.001 0.000 0.217 101 A C 2.042 179.645 177.584 0.033 0.000 1.186 101 A CA 1.807 53.869 52.037 0.043 0.000 0.624 101 A CB -0.513 18.514 19.000 0.044 0.000 0.822 101 A HN 0.417 nan 8.150 nan 0.000 0.444 102 I N 0.366 120.952 120.570 0.027 0.000 2.202 102 I HA -0.186 3.985 4.170 0.001 0.000 0.242 102 I C 2.343 178.419 176.117 -0.069 0.000 1.091 102 I CA 1.781 63.062 61.300 -0.033 0.000 1.368 102 I CB -1.398 36.555 38.000 -0.078 0.000 1.058 102 I HN 0.496 nan 8.210 nan 0.000 0.410 103 D N 1.393 121.760 120.400 -0.054 0.000 2.106 103 D HA -0.219 4.422 4.640 0.001 0.000 0.191 103 D C 2.296 178.699 176.300 0.171 0.000 0.997 103 D CA 1.603 55.637 54.000 0.058 0.000 0.834 103 D CB -0.023 40.918 40.800 0.235 0.000 0.956 103 D HN 0.321 nan 8.370 nan 0.000 0.448 104 I N 1.179 121.833 120.570 0.140 0.000 2.208 104 I HA -0.273 3.898 4.170 0.001 0.000 0.245 104 I C 2.748 178.917 176.117 0.088 0.000 1.097 104 I CA 1.248 62.627 61.300 0.132 0.000 1.363 104 I CB -0.299 37.745 38.000 0.073 0.000 1.051 104 I HN 0.033 nan 8.210 nan 0.000 0.413 105 A N -0.389 122.447 122.820 0.028 0.000 1.969 105 A HA -0.199 4.121 4.320 0.001 0.000 0.218 105 A C 2.420 179.957 177.584 -0.078 0.000 1.169 105 A CA 1.565 53.588 52.037 -0.024 0.000 0.635 105 A CB -1.080 17.885 19.000 -0.059 0.000 0.810 105 A HN 0.540 nan 8.150 nan 0.000 0.445 106 C N -2.232 117.002 119.300 -0.111 0.000 2.446 106 C HA -0.069 4.392 4.460 0.001 0.000 0.277 106 C C 2.454 177.268 174.990 -0.294 0.000 1.275 106 C CA 0.864 59.741 59.018 -0.236 0.000 1.727 106 C CB -1.611 25.944 27.740 -0.309 0.000 2.010 106 C HN 0.719 nan 8.230 nan 0.000 0.486 107 Y N 0.879 121.093 120.300 -0.144 0.000 2.242 107 Y HA -0.180 4.371 4.550 0.001 0.000 0.291 107 Y C 2.321 178.124 175.900 -0.162 0.000 1.137 107 Y CA 1.877 59.888 58.100 -0.149 0.000 1.181 107 Y CB -0.339 38.076 38.460 -0.075 0.000 0.989 107 Y HN 0.327 nan 8.280 nan 0.000 0.527 108 D N 0.263 120.673 120.400 0.016 0.000 2.097 108 D HA -0.183 4.458 4.640 0.001 0.000 0.195 108 D C 2.041 178.293 176.300 -0.079 0.000 0.989 108 D CA 1.351 55.332 54.000 -0.032 0.000 0.827 108 D CB -0.314 40.488 40.800 0.002 0.000 0.966 108 D HN 0.283 nan 8.370 nan 0.000 0.456 109 L N -0.345 120.800 121.223 -0.130 0.000 2.042 109 L HA -0.172 4.169 4.340 0.001 0.000 0.210 109 L C 2.770 179.500 176.870 -0.234 0.000 1.076 109 L CA 0.928 55.668 54.840 -0.167 0.000 0.749 109 L CB -0.343 41.595 42.059 -0.201 0.000 0.893 109 L HN 0.172 nan 8.230 nan 0.000 0.432 110 M N -0.849 118.509 119.600 -0.403 0.000 2.108 110 M HA -0.159 4.321 4.480 0.001 0.000 0.261 110 M C 2.296 178.523 176.300 -0.122 0.000 1.066 110 M CA 1.997 56.911 55.300 -0.644 0.000 1.107 110 M CB -0.887 31.236 32.600 -0.795 0.000 1.356 110 M HN 0.362 nan 8.290 nan 0.000 0.406 111 G N -0.440 108.319 108.800 -0.069 0.000 2.422 111 G HA2 -0.210 3.751 3.960 0.001 0.000 0.218 111 G HA3 -0.210 3.751 3.960 0.001 0.000 0.218 111 G C 1.401 176.303 174.900 0.004 0.000 1.146 111 G CA 0.476 45.570 45.100 -0.009 0.000 0.769 111 G HN 0.494 nan 8.290 nan 0.000 0.547 112 Q N -0.310 119.481 119.800 -0.015 0.000 2.119 112 Q HA -0.047 4.293 4.340 0.001 0.000 0.201 112 Q C 2.463 178.482 176.000 0.032 0.000 0.972 112 Q CA 1.324 57.128 55.803 0.001 0.000 0.847 112 Q CB -0.070 28.659 28.738 -0.014 0.000 0.903 112 Q HN 0.351 nan 8.270 nan 0.000 0.433 113 K N 1.082 121.521 120.400 0.064 0.000 2.062 113 K HA -0.038 4.283 4.320 0.001 0.000 0.205 113 K C 1.628 178.309 176.600 0.136 0.000 1.051 113 K CA 1.407 57.772 56.287 0.130 0.000 0.941 113 K CB -0.287 32.376 32.500 0.272 0.000 0.719 113 K HN 0.130 nan 8.250 nan 0.000 0.440 114 A N 0.263 123.190 122.820 0.179 0.000 2.208 114 A HA 0.027 4.347 4.320 0.001 0.000 0.209 114 A C -0.149 177.469 177.584 0.058 0.000 1.161 114 A CA 0.626 52.736 52.037 0.121 0.000 0.782 114 A CB -0.352 18.749 19.000 0.169 0.000 0.816 114 A HN 0.493 nan 8.150 nan 0.000 0.477 115 Q N -1.430 118.398 119.800 0.046 0.000 2.460 115 Q HA -0.158 4.182 4.340 0.001 0.000 0.311 115 Q C -1.194 174.809 176.000 0.006 0.000 1.396 115 Q CA 0.684 56.500 55.803 0.021 0.000 0.838 115 Q CB -1.831 26.918 28.738 0.018 0.000 1.140 115 Q HN 0.647 nan 8.270 nan 0.000 0.415 116 L N -0.939 120.281 121.223 -0.005 0.000 2.434 116 L HA 0.594 4.934 4.340 0.001 0.000 0.260 116 L C -2.409 174.409 176.870 -0.088 0.000 0.983 116 L CA -2.394 52.418 54.840 -0.047 0.000 0.820 116 L CB 2.171 44.205 42.059 -0.041 0.000 1.361 116 L HN -0.162 nan 8.230 nan 0.000 0.410 117 P HA 0.017 nan 4.420 nan 0.000 0.268 117 P C 0.427 177.598 177.300 -0.215 0.000 1.205 117 P CA -0.334 62.658 63.100 -0.179 0.000 0.771 117 P CB 0.728 32.186 31.700 -0.403 0.000 0.858 118 L N 4.945 126.106 121.223 -0.103 0.000 2.043 118 L HA -0.221 4.120 4.340 0.001 0.000 0.212 118 L C 2.049 178.984 176.870 0.109 0.000 1.075 118 L CA 1.974 56.779 54.840 -0.058 0.000 0.752 118 L CB -1.755 40.130 42.059 -0.289 0.000 0.891 118 L HN 0.475 nan 8.230 nan 0.000 0.432 119 Y N -1.588 118.974 120.300 0.436 0.000 2.315 119 Y HA -0.184 4.366 4.550 0.000 0.000 0.288 119 Y C 2.155 178.129 175.900 0.123 0.000 1.154 119 Y CA 1.257 59.482 58.100 0.209 0.000 1.229 119 Y CB -1.213 37.294 38.460 0.079 0.000 0.980 119 Y HN 0.268 nan 8.280 nan 0.000 0.540 120 Q N 0.882 120.478 119.800 -0.341 0.000 2.083 120 Q HA -0.031 4.309 4.340 0.001 0.000 0.198 120 Q C 2.400 178.402 176.000 0.004 0.000 0.969 120 Q CA 1.397 57.114 55.803 -0.145 0.000 0.838 120 Q CB -0.368 28.212 28.738 -0.264 0.000 0.900 120 Q HN 0.618 nan 8.270 nan 0.000 0.436 121 L N 0.187 121.417 121.223 0.011 0.000 2.156 121 L HA -0.088 4.253 4.340 0.001 0.000 0.208 121 L C 2.062 178.993 176.870 0.100 0.000 1.095 121 L CA 0.591 55.479 54.840 0.080 0.000 0.770 121 L CB -0.235 41.897 42.059 0.122 0.000 0.914 121 L HN 0.149 nan 8.230 nan 0.000 0.439 122 L N -1.064 120.213 121.223 0.089 0.000 2.599 122 L HA 0.124 4.465 4.340 0.001 0.000 0.230 122 L C 1.468 178.386 176.870 0.080 0.000 1.141 122 L CA 0.770 55.651 54.840 0.069 0.000 0.877 122 L CB -0.127 41.951 42.059 0.032 0.000 1.009 122 L HN 0.457 nan 8.230 nan 0.000 0.447 123 G N -1.878 106.988 108.800 0.109 0.000 3.302 123 G HA2 -0.092 3.868 3.960 0.001 0.000 0.216 123 G HA3 -0.092 3.868 3.960 0.001 0.000 0.216 123 G C 0.928 175.928 174.900 0.167 0.000 1.008 123 G CA -0.127 45.042 45.100 0.115 0.000 0.852 123 G HN 0.237 nan 8.290 nan 0.000 0.485 124 G N -0.194 108.736 108.800 0.216 0.000 2.233 124 G HA2 -0.378 3.583 3.960 0.001 0.000 0.270 124 G HA3 -0.378 3.583 3.960 0.001 0.000 0.270 124 G C 0.888 175.925 174.900 0.229 0.000 1.011 124 G CA 1.349 46.608 45.100 0.265 0.000 0.762 124 G HN 1.285 nan 8.290 nan 0.000 0.511 125 Y N 0.525 120.871 120.300 0.077 0.000 2.352 125 Y HA 0.255 4.805 4.550 0.000 0.000 0.292 125 Y C 1.255 177.152 175.900 -0.005 0.000 1.136 125 Y CA 1.721 59.839 58.100 0.030 0.000 1.227 125 Y CB 0.417 38.886 38.460 0.015 0.000 0.991 125 Y HN 0.381 nan 8.280 nan 0.000 0.545 126 D N -2.188 118.193 120.400 -0.032 0.000 2.671 126 D HA 0.108 4.748 4.640 0.001 0.000 0.273 126 D C -1.071 175.001 176.300 -0.380 0.000 1.264 126 D CA -0.295 53.590 54.000 -0.192 0.000 0.788 126 D CB 0.543 41.254 40.800 -0.147 0.000 1.324 126 D HN 0.104 nan 8.370 nan 0.000 0.424 127 N N 0.228 118.622 118.700 -0.509 0.000 2.291 127 N HA 0.138 4.878 4.740 0.001 0.000 0.244 127 N C -0.548 174.625 175.510 -0.562 0.000 1.216 127 N CA -0.221 52.261 53.050 -0.947 0.000 0.879 127 N CB 0.358 38.388 38.487 -0.762 0.000 1.167 127 N HN 0.534 nan 8.380 nan 0.000 0.515 128 Q N -2.115 117.471 119.800 -0.355 0.000 2.687 128 Q HA 0.658 4.999 4.340 0.001 0.000 0.295 128 Q C -2.023 173.890 176.000 -0.145 0.000 0.920 128 Q CA -1.149 54.520 55.803 -0.222 0.000 0.766 128 Q CB 1.816 30.456 28.738 -0.162 0.000 1.467 128 Q HN -0.096 nan 8.270 nan 0.000 0.415 129 V N 1.566 121.425 119.914 -0.092 0.000 2.932 129 V HA 0.634 4.754 4.120 0.001 0.000 0.307 129 V C -1.424 174.662 176.094 -0.012 0.000 1.147 129 V CA -0.774 61.500 62.300 -0.043 0.000 0.951 129 V CB 2.050 33.855 31.823 -0.032 0.000 1.031 129 V HN 0.799 nan 8.190 nan 0.000 0.426 130 I N 3.169 123.743 120.570 0.007 0.000 2.336 130 I HA 0.728 4.898 4.170 0.001 0.000 0.292 130 I C -0.194 175.970 176.117 0.079 0.000 0.991 130 I CA -0.052 61.264 61.300 0.028 0.000 1.227 130 I CB 1.616 39.624 38.000 0.013 0.000 1.366 130 I HN 0.653 nan 8.210 nan 0.000 0.466 131 T N 3.432 118.075 114.554 0.148 0.000 2.912 131 T HA 0.403 4.754 4.350 0.001 0.000 0.288 131 T C -0.368 174.538 174.700 0.344 0.000 1.030 131 T CA -0.502 61.724 62.100 0.211 0.000 1.020 131 T CB 1.480 70.484 68.868 0.227 0.000 1.056 131 T HN 0.877 nan 8.240 nan 0.000 0.480 132 D N 2.277 122.825 120.400 0.247 0.000 2.447 132 D HA 0.453 5.093 4.640 0.001 0.000 0.265 132 D C -0.200 176.185 176.300 0.143 0.000 1.250 132 D CA -0.518 53.619 54.000 0.227 0.000 1.046 132 D CB 0.500 41.363 40.800 0.104 0.000 1.095 132 D HN 0.586 nan 8.370 nan 0.000 0.555 133 I N -1.496 118.987 120.570 -0.145 0.000 2.619 133 I HA 0.315 4.486 4.170 0.001 0.000 0.292 133 I C -1.045 174.998 176.117 -0.124 0.000 1.100 133 I CA -0.517 60.612 61.300 -0.285 0.000 1.043 133 I CB 2.040 39.447 38.000 -0.988 0.000 1.239 133 I HN 0.352 nan 8.210 nan 0.000 0.420 134 T N 7.397 121.945 114.554 -0.010 0.000 2.909 134 T HA 0.511 4.861 4.350 0.001 0.000 0.289 134 T C -0.354 174.494 174.700 0.245 0.000 1.005 134 T CA -0.358 61.813 62.100 0.117 0.000 1.084 134 T CB 0.911 69.875 68.868 0.161 0.000 0.975 134 T HN 0.326 nan 8.240 nan 0.000 0.509 135 L N 2.420 123.744 121.223 0.167 0.000 2.319 135 L HA 0.527 4.867 4.340 0.001 0.000 0.281 135 L C 0.976 177.781 176.870 -0.109 0.000 1.005 135 L CA -1.031 53.835 54.840 0.043 0.000 0.828 135 L CB 1.421 43.466 42.059 -0.023 0.000 1.227 135 L HN 0.751 nan 8.230 nan 0.000 0.415 136 G N 3.396 111.871 108.800 -0.541 0.000 2.527 136 G HA2 0.411 4.371 3.960 0.001 0.000 0.248 136 G HA3 0.411 4.371 3.960 0.001 0.000 0.248 136 G C 0.162 174.828 174.900 -0.390 0.000 1.231 136 G CA -0.624 43.987 45.100 -0.816 0.000 0.838 136 G HN 0.516 nan 8.290 nan 0.000 0.570 137 I N 1.405 121.808 120.570 -0.278 0.000 2.919 137 I HA 0.000 4.170 4.170 0.001 0.000 0.303 137 I C 0.499 176.520 176.117 -0.160 0.000 1.221 137 I CA 1.003 62.202 61.300 -0.168 0.000 1.444 137 I CB 0.195 38.118 38.000 -0.128 0.000 1.331 137 I HN 0.458 nan 8.210 nan 0.000 0.572 138 D N 3.707 124.040 120.400 -0.111 0.000 3.010 138 D HA 0.153 4.793 4.640 0.001 0.000 0.353 138 D C -1.215 175.047 176.300 -0.063 0.000 1.415 138 D CA -0.572 53.373 54.000 -0.090 0.000 0.864 138 D CB 1.014 41.752 40.800 -0.102 0.000 1.445 138 D HN 0.294 nan 8.370 nan 0.000 0.516 139 E N 0.728 120.898 120.200 -0.051 0.000 2.373 139 E HA 0.271 4.622 4.350 0.001 0.000 0.267 139 E C -1.649 174.927 176.600 -0.040 0.000 1.032 139 E CA -1.263 55.113 56.400 -0.039 0.000 0.889 139 E CB 1.135 30.816 29.700 -0.031 0.000 0.984 139 E HN 0.053 nan 8.360 nan 0.000 0.425 140 P HA -0.261 nan 4.420 nan 0.000 0.219 140 P C 0.449 177.729 177.300 -0.034 0.000 1.161 140 P CA 2.199 65.276 63.100 -0.038 0.000 0.909 140 P CB 0.052 31.730 31.700 -0.036 0.000 0.793 141 N N -1.270 117.414 118.700 -0.027 0.000 2.223 141 N HA -0.118 4.622 4.740 0.001 0.000 0.185 141 N C 1.288 176.784 175.510 -0.024 0.000 1.016 141 N CA 1.280 54.317 53.050 -0.022 0.000 0.863 141 N CB -1.477 37.001 38.487 -0.016 0.000 0.983 141 N HN 0.015 nan 8.380 nan 0.000 0.429 142 V N 0.571 120.467 119.914 -0.030 0.000 2.307 142 V HA -0.154 3.966 4.120 0.001 0.000 0.245 142 V C 2.415 178.486 176.094 -0.039 0.000 1.045 142 V CA 1.658 63.938 62.300 -0.033 0.000 1.024 142 V CB -0.639 31.160 31.823 -0.040 0.000 0.651 142 V HN 0.328 nan 8.190 nan 0.000 0.449 143 M N 0.350 119.922 119.600 -0.047 0.000 2.077 143 M HA -0.090 4.390 4.480 0.001 0.000 0.261 143 M C 2.438 178.714 176.300 -0.039 0.000 1.070 143 M CA 2.116 57.385 55.300 -0.051 0.000 1.125 143 M CB -0.643 31.923 32.600 -0.058 0.000 1.339 143 M HN 0.364 nan 8.290 nan 0.000 0.409 144 A N -0.377 122.422 122.820 -0.035 0.000 2.024 144 A HA -0.202 4.119 4.320 0.001 0.000 0.220 144 A C 2.142 179.714 177.584 -0.019 0.000 1.164 144 A CA 1.463 53.483 52.037 -0.028 0.000 0.643 144 A CB -0.656 18.328 19.000 -0.026 0.000 0.806 144 A HN 0.499 nan 8.150 nan 0.000 0.451 145 Q N 0.208 119.996 119.800 -0.019 0.000 2.049 145 Q HA -0.107 4.233 4.340 0.001 0.000 0.198 145 Q C 1.885 177.879 176.000 -0.010 0.000 0.971 145 Q CA 1.751 57.547 55.803 -0.012 0.000 0.833 145 Q CB -0.244 28.486 28.738 -0.013 0.000 0.896 145 Q HN 0.721 nan 8.270 nan 0.000 0.434 146 K N 0.063 120.453 120.400 -0.017 0.000 2.147 146 K HA -0.089 4.231 4.320 0.001 0.000 0.205 146 K C 2.089 178.681 176.600 -0.013 0.000 1.049 146 K CA 0.941 57.219 56.287 -0.014 0.000 0.936 146 K CB -0.148 32.338 32.500 -0.024 0.000 0.722 146 K HN 0.201 nan 8.250 nan 0.000 0.446 147 A N 1.157 123.967 122.820 -0.017 0.000 1.873 147 A HA -0.190 4.131 4.320 0.001 0.000 0.218 147 A C 2.360 179.948 177.584 0.006 0.000 1.193 147 A CA 1.924 53.954 52.037 -0.012 0.000 0.629 147 A CB -0.886 18.103 19.000 -0.018 0.000 0.826 147 A HN 0.092 nan 8.150 nan 0.000 0.447 148 V N 0.277 120.195 119.914 0.006 0.000 2.407 148 V HA -0.284 3.836 4.120 0.001 0.000 0.248 148 V C 2.377 178.486 176.094 0.025 0.000 1.055 148 V CA 2.274 64.584 62.300 0.016 0.000 1.049 148 V CB -1.020 30.810 31.823 0.011 0.000 0.662 148 V HN 0.663 nan 8.190 nan 0.000 0.455 149 E N 0.155 120.367 120.200 0.021 0.000 2.031 149 E HA -0.207 4.144 4.350 0.001 0.000 0.193 149 E C 2.287 178.920 176.600 0.054 0.000 0.994 149 E CA 1.104 57.521 56.400 0.028 0.000 0.800 149 E CB -0.217 29.493 29.700 0.018 0.000 0.752 149 E HN 0.465 nan 8.360 nan 0.000 0.447 150 K N 0.809 121.241 120.400 0.054 0.000 2.097 150 K HA -0.072 4.248 4.320 0.001 0.000 0.205 150 K C 2.298 179.034 176.600 0.227 0.000 1.050 150 K CA 0.655 57.017 56.287 0.124 0.000 0.938 150 K CB -0.749 31.721 32.500 -0.050 0.000 0.718 150 K HN 0.057 nan 8.250 nan 0.000 0.442 151 V N 1.935 121.926 119.914 0.129 0.000 2.332 151 V HA -0.225 3.895 4.120 0.001 0.000 0.248 151 V C 2.521 178.664 176.094 0.082 0.000 1.055 151 V CA 1.740 64.109 62.300 0.115 0.000 1.038 151 V CB -0.431 31.431 31.823 0.065 0.000 0.651 151 V HN 0.367 nan 8.190 nan 0.000 0.450 152 K N -0.293 120.144 120.400 0.062 0.000 2.283 152 K HA -0.063 4.257 4.320 0.001 0.000 0.202 152 K C 1.834 178.449 176.600 0.024 0.000 1.048 152 K CA 1.002 57.310 56.287 0.034 0.000 0.948 152 K CB -0.096 32.419 32.500 0.026 0.000 0.742 152 K HN 0.424 nan 8.250 nan 0.000 0.458 153 L N -0.682 120.577 121.223 0.060 0.000 2.599 153 L HA 0.067 4.407 4.340 0.001 0.000 0.230 153 L C 1.206 178.006 176.870 -0.117 0.000 1.141 153 L CA 0.679 55.527 54.840 0.014 0.000 0.877 153 L CB 0.182 42.318 42.059 0.127 0.000 1.009 153 L HN 0.569 nan 8.230 nan 0.000 0.447 154 G N -0.904 107.851 108.800 -0.076 0.000 2.201 154 G HA2 -0.259 3.701 3.960 0.001 0.000 0.212 154 G HA3 -0.259 3.701 3.960 0.001 0.000 0.212 154 G C 0.102 174.898 174.900 -0.175 0.000 0.994 154 G CA -0.685 44.322 45.100 -0.156 0.000 0.644 154 G HN 0.110 nan 8.290 nan 0.000 0.508 155 F N 2.106 122.038 119.950 -0.029 0.000 2.533 155 F HA 0.406 4.933 4.527 0.001 0.000 0.378 155 F C 1.225 177.025 175.800 0.000 0.000 1.070 155 F CA 0.352 58.345 58.000 -0.012 0.000 1.172 155 F CB 0.941 39.936 39.000 -0.009 0.000 1.085 155 F HN -0.025 nan 8.300 nan 0.000 0.552 156 D N 0.780 121.275 120.400 0.157 0.000 2.350 156 D HA 0.049 4.690 4.640 0.001 0.000 0.213 156 D C 0.060 176.428 176.300 0.112 0.000 1.031 156 D CA 0.730 54.792 54.000 0.104 0.000 0.861 156 D CB 0.383 41.218 40.800 0.057 0.000 0.926 156 D HN 0.350 nan 8.370 nan 0.000 0.520 157 T N 0.419 115.068 114.554 0.159 0.000 2.881 157 T HA 0.532 4.882 4.350 0.001 0.000 0.290 157 T C -0.619 174.142 174.700 0.102 0.000 1.000 157 T CA -0.633 61.537 62.100 0.117 0.000 0.978 157 T CB 1.668 70.602 68.868 0.110 0.000 0.997 157 T HN -0.135 nan 8.240 nan 0.000 0.443 158 L N 2.549 123.803 121.223 0.051 0.000 2.365 158 L HA 0.603 4.943 4.340 0.001 0.000 0.273 158 L C 0.014 176.892 176.870 0.013 0.000 1.000 158 L CA -1.118 53.729 54.840 0.011 0.000 0.819 158 L CB 1.812 43.868 42.059 -0.004 0.000 1.284 158 L HN 0.252 nan 8.230 nan 0.000 0.418 159 K N 4.343 124.747 120.400 0.007 0.000 2.264 159 K HA 0.522 4.842 4.320 0.001 0.000 0.277 159 K C -0.942 175.671 176.600 0.023 0.000 1.067 159 K CA -0.371 55.929 56.287 0.021 0.000 0.900 159 K CB 0.847 33.363 32.500 0.027 0.000 1.124 159 K HN 0.523 nan 8.250 nan 0.000 0.469 160 I N 4.893 125.471 120.570 0.013 0.000 2.339 160 I HA 0.207 4.378 4.170 0.001 0.000 0.290 160 I C 0.398 176.512 176.117 -0.005 0.000 0.994 160 I CA -0.821 60.480 61.300 0.001 0.000 1.191 160 I CB 1.294 39.290 38.000 -0.007 0.000 1.343 160 I HN 0.110 nan 8.210 nan 0.000 0.458 161 K N 6.320 126.709 120.400 -0.018 0.000 2.234 161 K HA 0.569 4.889 4.320 0.001 0.000 0.282 161 K C -0.389 176.178 176.600 -0.056 0.000 1.039 161 K CA -0.298 55.964 56.287 -0.041 0.000 0.928 161 K CB 2.030 34.504 32.500 -0.043 0.000 1.039 161 K HN 0.528 nan 8.250 nan 0.000 0.470 162 V N -2.035 117.832 119.914 -0.078 0.000 3.160 162 V HA 0.926 5.047 4.120 0.001 0.000 0.310 162 V C 0.477 176.499 176.094 -0.119 0.000 1.181 162 V CA -0.082 62.194 62.300 -0.040 0.000 1.047 162 V CB 1.822 33.693 31.823 0.080 0.000 1.068 162 V HN 0.809 nan 8.190 nan 0.000 0.441 163 G N 0.417 109.203 108.800 -0.023 0.000 3.685 163 G HA2 -0.103 3.857 3.960 0.001 0.000 0.215 163 G HA3 -0.103 3.857 3.960 0.001 0.000 0.215 163 G C 0.956 175.883 174.900 0.045 0.000 0.987 163 G CA 0.992 46.045 45.100 -0.078 0.000 0.884 163 G HN 1.770 nan 8.290 nan 0.000 0.406 164 T N -0.075 114.503 114.554 0.041 0.000 3.219 164 T HA 0.434 4.785 4.350 0.001 0.000 0.264 164 T C 1.183 175.934 174.700 0.084 0.000 1.178 164 T CA 1.395 63.521 62.100 0.042 0.000 1.057 164 T CB -0.270 68.606 68.868 0.014 0.000 0.919 164 T HN 2.102 nan 8.240 nan 0.000 0.545 165 G N 1.100 110.002 108.800 0.170 0.000 2.760 165 G HA2 0.102 4.062 3.960 0.001 0.000 0.540 165 G HA3 0.102 4.062 3.960 0.001 0.000 0.540 165 G C 0.280 175.258 174.900 0.130 0.000 1.476 165 G CA -0.470 44.722 45.100 0.154 0.000 0.949 165 G HN 0.638 nan 8.290 nan 0.000 0.633 166 I N -0.753 119.834 120.570 0.028 0.000 2.285 166 I HA -0.257 3.913 4.170 0.001 0.000 0.253 166 I C 2.011 178.080 176.117 -0.079 0.000 1.104 166 I CA 2.067 63.273 61.300 -0.156 0.000 1.372 166 I CB -0.290 37.506 38.000 -0.340 0.000 1.057 166 I HN 0.531 nan 8.210 nan 0.000 0.431 167 E N 2.106 122.283 120.200 -0.039 0.000 1.997 167 E HA -0.207 4.143 4.350 0.001 0.000 0.201 167 E C 2.474 179.061 176.600 -0.021 0.000 1.011 167 E CA 1.816 58.197 56.400 -0.032 0.000 0.847 167 E CB -0.654 29.035 29.700 -0.018 0.000 0.787 167 E HN 0.636 nan 8.360 nan 0.000 0.472 168 A N 1.966 124.785 122.820 -0.002 0.000 2.024 168 A HA -0.210 4.110 4.320 0.001 0.000 0.220 168 A C 1.785 179.369 177.584 0.001 0.000 1.164 168 A CA 1.889 53.924 52.037 -0.003 0.000 0.643 168 A CB -0.457 18.545 19.000 0.003 0.000 0.806 168 A HN 0.159 nan 8.150 nan 0.000 0.451 169 D N 0.278 120.699 120.400 0.036 0.000 2.084 169 D HA -0.132 4.509 4.640 0.001 0.000 0.194 169 D C 1.906 178.204 176.300 -0.002 0.000 0.990 169 D CA 1.434 55.473 54.000 0.065 0.000 0.826 169 D CB -0.442 40.486 40.800 0.213 0.000 0.971 169 D HN 0.539 nan 8.370 nan 0.000 0.453 170 I N 1.570 122.114 120.570 -0.044 0.000 2.194 170 I HA -0.286 3.884 4.170 0.001 0.000 0.246 170 I C 2.581 178.607 176.117 -0.152 0.000 1.093 170 I CA 1.184 62.413 61.300 -0.117 0.000 1.355 170 I CB -0.323 37.606 38.000 -0.120 0.000 1.046 170 I HN -0.080 nan 8.210 nan 0.000 0.413 171 A N 0.924 123.686 122.820 -0.097 0.000 1.902 171 A HA -0.204 4.116 4.320 0.001 0.000 0.217 171 A C 2.422 179.951 177.584 -0.093 0.000 1.181 171 A CA 1.521 53.505 52.037 -0.089 0.000 0.623 171 A CB -0.550 18.419 19.000 -0.051 0.000 0.818 171 A HN 0.326 nan 8.150 nan 0.000 0.443 172 R N -0.678 119.780 120.500 -0.071 0.000 2.070 172 R HA -0.103 4.237 4.340 0.001 0.000 0.233 172 R C 2.096 178.343 176.300 -0.089 0.000 1.137 172 R CA 1.624 57.686 56.100 -0.063 0.000 0.945 172 R CB -0.785 29.492 30.300 -0.038 0.000 0.845 172 R HN 0.382 nan 8.270 nan 0.000 0.430 173 V N 1.774 121.622 119.914 -0.110 0.000 2.287 173 V HA -0.295 3.826 4.120 0.001 0.000 0.248 173 V C 2.213 178.168 176.094 -0.232 0.000 1.053 173 V CA 1.860 64.074 62.300 -0.144 0.000 1.027 173 V CB -0.500 31.236 31.823 -0.145 0.000 0.646 173 V HN 0.337 nan 8.190 nan 0.000 0.447 174 K N 0.206 120.385 120.400 -0.369 0.000 2.032 174 K HA -0.196 4.125 4.320 0.001 0.000 0.209 174 K C 2.339 178.858 176.600 -0.135 0.000 1.048 174 K CA 1.607 57.637 56.287 -0.428 0.000 0.927 174 K CB -0.505 31.736 32.500 -0.431 0.000 0.712 174 K HN 0.491 nan 8.250 nan 0.000 0.441 175 A N 1.727 124.487 122.820 -0.101 0.000 1.851 175 A HA -0.188 4.133 4.320 0.001 0.000 0.216 175 A C 2.178 179.735 177.584 -0.044 0.000 1.195 175 A CA 1.532 53.539 52.037 -0.049 0.000 0.622 175 A CB -0.751 18.222 19.000 -0.045 0.000 0.831 175 A HN 0.194 nan 8.150 nan 0.000 0.444 176 I N -0.914 119.619 120.570 -0.061 0.000 2.118 176 I HA -0.318 3.852 4.170 0.001 0.000 0.241 176 I C 2.704 178.779 176.117 -0.069 0.000 1.070 176 I CA 1.989 63.255 61.300 -0.057 0.000 1.327 176 I CB -0.389 37.576 38.000 -0.059 0.000 1.034 176 I HN 0.339 nan 8.210 nan 0.000 0.405 177 R N 1.889 122.332 120.500 -0.095 0.000 2.080 177 R HA -0.197 4.143 4.340 0.001 0.000 0.236 177 R C 1.705 177.925 176.300 -0.132 0.000 1.137 177 R CA 1.788 57.789 56.100 -0.164 0.000 0.943 177 R CB -0.670 29.544 30.300 -0.144 0.000 0.846 177 R HN 0.385 nan 8.270 nan 0.000 0.431 178 E N -0.886 119.302 120.200 -0.021 0.000 2.461 178 E HA 0.018 4.368 4.350 0.001 0.000 0.196 178 E C 0.605 177.219 176.600 0.023 0.000 1.129 178 E CA 0.451 56.876 56.400 0.042 0.000 0.902 178 E CB 0.208 29.964 29.700 0.092 0.000 0.963 178 E HN 0.518 nan 8.360 nan 0.000 0.503 179 A N -0.110 122.706 122.820 -0.008 0.000 2.140 179 A HA 0.066 4.386 4.320 0.001 0.000 0.199 179 A C 1.879 179.462 177.584 -0.001 0.000 1.416 179 A CA 0.106 52.142 52.037 -0.000 0.000 1.018 179 A CB 0.437 19.432 19.000 -0.008 0.000 1.117 179 A HN 0.196 nan 8.150 nan 0.000 0.480 180 V N -3.952 115.951 119.914 -0.018 0.000 3.570 180 V HA 0.616 4.737 4.120 0.001 0.000 0.257 180 V C 1.056 177.151 176.094 0.002 0.000 1.272 180 V CA 0.634 62.929 62.300 -0.008 0.000 1.079 180 V CB -0.506 31.308 31.823 -0.015 0.000 0.829 180 V HN 1.661 nan 8.190 nan 0.000 0.454 181 G N 0.259 109.047 108.800 -0.021 0.000 2.422 181 G HA2 -0.083 3.878 3.960 0.001 0.000 0.607 181 G HA3 -0.083 3.878 3.960 0.001 0.000 0.607 181 G C -0.553 174.315 174.900 -0.053 0.000 1.270 181 G CA -0.118 45.008 45.100 0.043 0.000 0.992 181 G HN 0.178 nan 8.290 nan 0.000 0.499 182 F N 0.329 120.300 119.950 0.035 0.000 2.678 182 F HA 0.286 4.813 4.527 0.001 0.000 0.305 182 F C 1.824 177.643 175.800 0.032 0.000 1.090 182 F CA 0.223 58.244 58.000 0.035 0.000 1.272 182 F CB 0.819 39.832 39.000 0.022 0.000 1.060 182 F HN 0.337 nan 8.300 nan 0.000 0.576 183 D N 0.308 120.803 120.400 0.158 0.000 2.348 183 D HA 0.076 4.716 4.640 0.001 0.000 0.211 183 D C 0.695 177.039 176.300 0.073 0.000 0.998 183 D CA 0.676 54.740 54.000 0.106 0.000 0.873 183 D CB 0.687 41.536 40.800 0.082 0.000 0.925 183 D HN 0.048 nan 8.370 nan 0.000 0.524 184 I N 1.862 122.463 120.570 0.052 0.000 2.325 184 I HA 0.114 4.284 4.170 0.001 0.000 0.291 184 I C 0.731 176.867 176.117 0.030 0.000 1.019 184 I CA -0.556 60.767 61.300 0.037 0.000 1.302 184 I CB 0.874 38.886 38.000 0.019 0.000 1.401 184 I HN -0.408 nan 8.210 nan 0.000 0.485 185 K N 6.796 127.224 120.400 0.047 0.000 2.322 185 K HA 0.483 4.804 4.320 0.001 0.000 0.283 185 K C -0.770 175.851 176.600 0.034 0.000 1.042 185 K CA -0.331 55.984 56.287 0.046 0.000 0.958 185 K CB 1.014 33.547 32.500 0.055 0.000 0.984 185 K HN 0.439 nan 8.250 nan 0.000 0.473 186 L N 4.798 126.037 121.223 0.026 0.000 2.349 186 L HA 0.449 4.789 4.340 0.001 0.000 0.278 186 L C -0.116 176.773 176.870 0.032 0.000 0.996 186 L CA -0.881 53.970 54.840 0.018 0.000 0.825 186 L CB 1.407 43.462 42.059 -0.005 0.000 1.243 186 L HN 0.595 nan 8.230 nan 0.000 0.412 187 R N 3.917 124.436 120.500 0.032 0.000 2.514 187 R HA 0.817 5.158 4.340 0.001 0.000 0.301 187 R C -1.336 174.982 176.300 0.031 0.000 0.962 187 R CA -0.846 55.277 56.100 0.037 0.000 0.882 187 R CB 1.668 31.989 30.300 0.036 0.000 1.143 187 R HN 0.460 nan 8.270 nan 0.000 0.452 188 L N 1.354 122.601 121.223 0.039 0.000 2.334 188 L HA 0.504 4.845 4.340 0.001 0.000 0.270 188 L C -0.545 176.325 176.870 -0.001 0.000 1.018 188 L CA -0.998 53.861 54.840 0.031 0.000 0.811 188 L CB 1.680 43.786 42.059 0.078 0.000 1.271 188 L HN 0.686 nan 8.230 nan 0.000 0.443 189 D N 0.605 120.979 120.400 -0.045 0.000 2.602 189 D HA 0.407 5.047 4.640 0.001 0.000 0.245 189 D C -0.214 175.968 176.300 -0.197 0.000 1.325 189 D CA -0.360 53.584 54.000 -0.093 0.000 0.952 189 D CB 2.201 42.973 40.800 -0.047 0.000 1.317 189 D HN 0.569 nan 8.370 nan 0.000 0.577 190 A N 3.474 126.075 122.820 -0.365 0.000 2.345 190 A HA 0.171 4.492 4.320 0.001 0.000 0.225 190 A C 0.710 178.028 177.584 -0.443 0.000 1.243 190 A CA -0.256 51.412 52.037 -0.614 0.000 0.875 190 A CB -0.736 17.391 19.000 -1.455 0.000 0.929 190 A HN 0.740 nan 8.150 nan 0.000 0.502 191 N N 0.990 119.531 118.700 -0.265 0.000 2.696 191 N HA -0.265 4.475 4.740 0.001 0.000 0.271 191 N C -0.015 175.379 175.510 -0.194 0.000 0.997 191 N CA 0.899 53.839 53.050 -0.183 0.000 0.801 191 N CB -1.127 37.263 38.487 -0.162 0.000 0.913 191 N HN 0.690 nan 8.380 nan 0.000 0.557 192 Q N -3.815 115.869 119.800 -0.193 0.000 2.452 192 Q HA -0.352 3.988 4.340 0.001 0.000 0.248 192 Q C 1.237 177.136 176.000 -0.168 0.000 0.874 192 Q CA 0.899 56.617 55.803 -0.140 0.000 1.208 192 Q CB -1.641 27.056 28.738 -0.068 0.000 1.569 192 Q HN 0.728 nan 8.270 nan 0.000 0.579 193 A N -0.455 122.171 122.820 -0.325 0.000 2.067 193 A HA -0.068 4.252 4.320 0.001 0.000 0.219 193 A C 0.497 178.035 177.584 -0.076 0.000 1.158 193 A CA 0.849 52.718 52.037 -0.279 0.000 0.661 193 A CB -0.014 18.737 19.000 -0.415 0.000 0.801 193 A HN 0.441 nan 8.150 nan 0.000 0.452 194 W N -1.450 119.852 121.300 0.003 0.000 2.576 194 W HA 0.558 5.219 4.660 0.000 0.000 0.360 194 W C 0.444 176.972 176.519 0.014 0.000 1.109 194 W CA -0.840 56.510 57.345 0.008 0.000 1.237 194 W CB 0.036 29.505 29.460 0.016 0.000 1.369 194 W HN -0.004 nan 8.180 nan 0.000 0.609 195 T N 0.315 115.032 114.554 0.270 0.000 2.918 195 T HA 0.289 4.639 4.350 0.001 0.000 0.283 195 T C -1.556 173.240 174.700 0.160 0.000 1.001 195 T CA -1.813 60.375 62.100 0.147 0.000 1.041 195 T CB 1.607 70.523 68.868 0.080 0.000 1.028 195 T HN -0.053 nan 8.240 nan 0.000 0.511 196 P HA -0.150 nan 4.420 nan 0.000 0.212 196 P C 1.302 178.735 177.300 0.220 0.000 1.174 196 P CA 1.838 65.043 63.100 0.174 0.000 0.934 196 P CB 0.088 31.796 31.700 0.014 0.000 0.791 197 K N -1.146 119.317 120.400 0.106 0.000 2.147 197 K HA -0.140 4.180 4.320 0.001 0.000 0.205 197 K C 1.586 178.222 176.600 0.059 0.000 1.049 197 K CA 1.403 57.769 56.287 0.133 0.000 0.936 197 K CB -0.553 31.969 32.500 0.036 0.000 0.722 197 K HN 0.164 nan 8.250 nan 0.000 0.446 198 D N 0.476 120.886 120.400 0.018 0.000 2.224 198 D HA -0.048 4.593 4.640 0.001 0.000 0.205 198 D C 1.706 177.881 176.300 -0.209 0.000 0.965 198 D CA 0.757 54.704 54.000 -0.087 0.000 0.852 198 D CB 0.032 40.788 40.800 -0.073 0.000 0.947 198 D HN 0.173 nan 8.370 nan 0.000 0.494 199 A N 0.337 123.138 122.820 -0.032 0.000 1.897 199 A HA -0.086 4.235 4.320 0.001 0.000 0.215 199 A C 2.424 179.973 177.584 -0.059 0.000 1.181 199 A CA 0.860 52.898 52.037 0.000 0.000 0.620 199 A CB -0.592 18.622 19.000 0.357 0.000 0.821 199 A HN 0.123 nan 8.150 nan 0.000 0.443 200 V N 0.373 120.301 119.914 0.023 0.000 2.343 200 V HA -0.269 3.852 4.120 0.001 0.000 0.247 200 V C 2.525 178.584 176.094 -0.058 0.000 1.051 200 V CA 2.387 64.686 62.300 -0.001 0.000 1.036 200 V CB -0.664 31.181 31.823 0.037 0.000 0.654 200 V HN 0.689 nan 8.190 nan 0.000 0.451 201 K N 0.380 120.731 120.400 -0.082 0.000 2.009 201 K HA -0.215 4.106 4.320 0.001 0.000 0.210 201 K C 2.219 178.718 176.600 -0.168 0.000 1.049 201 K CA 1.811 58.034 56.287 -0.106 0.000 0.929 201 K CB -0.424 32.010 32.500 -0.109 0.000 0.714 201 K HN 0.401 nan 8.250 nan 0.000 0.440 202 A N 1.163 123.791 122.820 -0.320 0.000 1.902 202 A HA -0.137 4.183 4.320 0.001 0.000 0.217 202 A C 2.113 179.543 177.584 -0.257 0.000 1.181 202 A CA 1.624 53.411 52.037 -0.416 0.000 0.623 202 A CB -0.597 17.840 19.000 -0.938 0.000 0.818 202 A HN 0.397 nan 8.150 nan 0.000 0.443 203 I N -0.654 119.799 120.570 -0.195 0.000 2.394 203 I HA -0.254 3.916 4.170 0.001 0.000 0.251 203 I C 2.476 178.590 176.117 -0.005 0.000 1.136 203 I CA 1.175 62.452 61.300 -0.038 0.000 1.425 203 I CB -0.340 37.681 38.000 0.034 0.000 1.079 203 I HN 0.439 nan 8.210 nan 0.000 0.425 204 Q N 0.455 120.240 119.800 -0.025 0.000 2.435 204 Q HA 0.020 4.360 4.340 0.001 0.000 0.207 204 Q C 2.227 178.239 176.000 0.021 0.000 0.956 204 Q CA 0.912 56.716 55.803 0.001 0.000 0.917 204 Q CB 0.043 28.774 28.738 -0.011 0.000 0.997 204 Q HN 0.523 nan 8.270 nan 0.000 0.497 205 A N 0.178 123.000 122.820 0.004 0.000 2.119 205 A HA -0.023 4.297 4.320 0.001 0.000 0.216 205 A C 1.383 179.047 177.584 0.134 0.000 1.152 205 A CA 0.691 52.750 52.037 0.036 0.000 0.708 205 A CB 0.190 19.174 19.000 -0.027 0.000 0.805 205 A HN 0.198 nan 8.150 nan 0.000 0.460 206 L N -0.922 120.383 121.223 0.136 0.000 2.700 206 L HA 0.339 4.679 4.340 0.001 0.000 0.234 206 L C 2.243 179.289 176.870 0.294 0.000 1.156 206 L CA 0.658 55.670 54.840 0.288 0.000 0.946 206 L CB -0.461 41.675 42.059 0.128 0.000 1.216 206 L HN 0.298 nan 8.230 nan 0.000 0.493 207 A N -0.549 122.375 122.820 0.173 0.000 1.917 207 A HA -0.208 4.113 4.320 0.001 0.000 0.219 207 A C 1.536 179.168 177.584 0.081 0.000 1.182 207 A CA 1.902 54.000 52.037 0.102 0.000 0.633 207 A CB -0.330 18.703 19.000 0.055 0.000 0.819 207 A HN 0.390 nan 8.150 nan 0.000 0.448 208 D N -2.063 118.352 120.400 0.024 0.000 2.538 208 D HA 0.203 4.844 4.640 0.001 0.000 0.234 208 D C -0.499 175.616 176.300 -0.309 0.000 1.191 208 D CA 0.282 54.191 54.000 -0.151 0.000 0.828 208 D CB 0.016 40.660 40.800 -0.260 0.000 0.981 208 D HN 0.631 nan 8.370 nan 0.000 0.490 209 Y N -0.048 120.360 120.300 0.180 0.000 2.626 209 Y HA 0.132 4.683 4.550 0.001 0.000 0.248 209 Y C 0.240 176.228 175.900 0.146 0.000 1.147 209 Y CA -0.434 57.773 58.100 0.179 0.000 1.219 209 Y CB 0.386 38.878 38.460 0.053 0.000 1.279 209 Y HN -0.156 nan 8.280 nan 0.000 0.541 210 Q N 1.377 121.351 119.800 0.290 0.000 2.443 210 Q HA -0.172 4.168 4.340 0.001 0.000 0.362 210 Q C -1.004 175.081 176.000 0.142 0.000 1.423 210 Q CA 0.225 56.158 55.803 0.218 0.000 1.037 210 Q CB -0.832 28.093 28.738 0.312 0.000 1.208 210 Q HN 0.227 nan 8.270 nan 0.000 0.334 211 I N 1.374 122.020 120.570 0.127 0.000 2.312 211 I HA 0.023 4.194 4.170 0.001 0.000 0.291 211 I C 1.690 177.855 176.117 0.080 0.000 1.031 211 I CA 0.339 61.696 61.300 0.096 0.000 1.293 211 I CB 1.204 39.265 38.000 0.101 0.000 1.403 211 I HN 0.528 nan 8.210 nan 0.000 0.484 212 E N 6.388 126.629 120.200 0.068 0.000 2.051 212 E HA -0.137 4.213 4.350 0.001 0.000 0.192 212 E C -0.351 176.282 176.600 0.055 0.000 0.991 212 E CA 1.315 57.751 56.400 0.059 0.000 0.799 212 E CB 0.407 30.138 29.700 0.053 0.000 0.748 212 E HN 0.587 nan 8.360 nan 0.000 0.449 213 L N -4.116 117.142 121.223 0.057 0.000 2.869 213 L HA 0.447 4.787 4.340 0.001 0.000 0.265 213 L C -1.405 175.503 176.870 0.063 0.000 1.011 213 L CA -1.077 53.796 54.840 0.056 0.000 0.913 213 L CB 1.695 43.781 42.059 0.044 0.000 1.490 213 L HN -0.325 nan 8.230 nan 0.000 0.410 214 V N 0.524 120.480 119.914 0.071 0.000 2.444 214 V HA 0.539 4.659 4.120 0.001 0.000 0.294 214 V C -0.280 175.842 176.094 0.046 0.000 1.022 214 V CA -0.316 62.032 62.300 0.080 0.000 0.850 214 V CB 1.398 33.312 31.823 0.151 0.000 0.992 214 V HN 0.865 nan 8.190 nan 0.000 0.426 215 E N 2.893 123.099 120.200 0.009 0.000 2.227 215 E HA 0.332 4.682 4.350 0.001 0.000 0.282 215 E C -0.146 176.427 176.600 -0.045 0.000 1.015 215 E CA -0.649 55.745 56.400 -0.009 0.000 0.823 215 E CB 0.745 30.436 29.700 -0.015 0.000 1.081 215 E HN 0.644 nan 8.360 nan 0.000 0.396 216 Q N 3.993 123.783 119.800 -0.018 0.000 2.352 216 Q HA -0.174 4.166 4.340 0.001 0.000 0.347 216 Q C -2.017 173.930 176.000 -0.089 0.000 1.233 216 Q CA 0.523 56.310 55.803 -0.027 0.000 1.080 216 Q CB 0.035 28.760 28.738 -0.022 0.000 1.195 216 Q HN 0.432 nan 8.270 nan 0.000 0.297 217 P HA -0.052 nan 4.420 nan 0.000 0.224 217 P C 0.418 177.721 177.300 0.006 0.000 1.157 217 P CA 1.300 64.376 63.100 -0.041 0.000 0.799 217 P CB 0.200 32.041 31.700 0.234 0.000 0.809 218 V N -4.050 115.892 119.914 0.046 0.000 3.229 218 V HA 0.544 4.664 4.120 0.001 0.000 0.310 218 V C 0.092 176.196 176.094 0.017 0.000 1.206 218 V CA -1.532 60.803 62.300 0.059 0.000 1.051 218 V CB 0.873 32.754 31.823 0.097 0.000 1.183 218 V HN -0.331 nan 8.190 nan 0.000 0.466 219 K N 1.436 121.849 120.400 0.022 0.000 2.489 219 K HA 0.069 4.390 4.320 0.001 0.000 0.278 219 K C 1.606 178.214 176.600 0.012 0.000 1.000 219 K CA 0.699 56.992 56.287 0.009 0.000 1.012 219 K CB 0.618 33.123 32.500 0.008 0.000 0.903 219 K HN 0.887 nan 8.250 nan 0.000 0.485 220 R N 2.457 122.964 120.500 0.012 0.000 2.139 220 R HA -0.150 4.190 4.340 0.001 0.000 0.243 220 R C 1.042 177.337 176.300 -0.007 0.000 1.145 220 R CA 1.126 57.236 56.100 0.017 0.000 0.976 220 R CB -0.021 30.297 30.300 0.030 0.000 0.866 220 R HN 0.299 nan 8.270 nan 0.000 0.449 221 R N 0.713 121.201 120.500 -0.020 0.000 2.246 221 R HA 0.022 4.362 4.340 0.001 0.000 0.199 221 R C 0.107 176.400 176.300 -0.013 0.000 0.984 221 R CA 0.475 56.556 56.100 -0.031 0.000 1.015 221 R CB -0.401 29.874 30.300 -0.042 0.000 0.930 221 R HN 0.264 nan 8.270 nan 0.000 0.475 222 D N 1.373 121.774 120.400 0.002 0.000 2.608 222 D HA 0.050 4.690 4.640 0.001 0.000 0.224 222 D C 1.152 177.467 176.300 0.026 0.000 1.123 222 D CA -0.003 54.005 54.000 0.013 0.000 1.030 222 D CB -0.139 40.673 40.800 0.020 0.000 1.093 222 D HN 0.034 nan 8.370 nan 0.000 0.497 223 L N 0.845 122.079 121.223 0.019 0.000 2.141 223 L HA -0.080 4.260 4.340 0.001 0.000 0.209 223 L C 2.155 179.051 176.870 0.044 0.000 1.094 223 L CA 0.802 55.659 54.840 0.029 0.000 0.763 223 L CB -0.091 41.979 42.059 0.018 0.000 0.908 223 L HN 0.313 nan 8.230 nan 0.000 0.437 224 E N 0.120 120.343 120.200 0.038 0.000 2.072 224 E HA -0.164 4.187 4.350 0.001 0.000 0.191 224 E C 2.214 178.865 176.600 0.086 0.000 0.985 224 E CA 1.078 57.508 56.400 0.051 0.000 0.801 224 E CB -0.204 29.512 29.700 0.027 0.000 0.750 224 E HN 0.532 nan 8.360 nan 0.000 0.452 225 G N 1.095 109.939 108.800 0.073 0.000 2.408 225 G HA2 -0.224 3.736 3.960 0.001 0.000 0.217 225 G HA3 -0.224 3.736 3.960 0.001 0.000 0.217 225 G C 1.516 176.518 174.900 0.170 0.000 1.150 225 G CA 0.317 45.485 45.100 0.113 0.000 0.776 225 G HN 0.132 nan 8.290 nan 0.000 0.542 226 L N 0.800 122.093 121.223 0.116 0.000 2.046 226 L HA 0.083 4.423 4.340 0.001 0.000 0.208 226 L C 2.608 179.541 176.870 0.105 0.000 1.077 226 L CA 2.304 57.208 54.840 0.106 0.000 0.747 226 L CB -0.522 41.580 42.059 0.072 0.000 0.896 226 L HN 0.226 nan 8.230 nan 0.000 0.432 227 K N -1.879 118.581 120.400 0.100 0.000 2.097 227 K HA -0.266 4.055 4.320 0.001 0.000 0.206 227 K C 2.280 178.936 176.600 0.095 0.000 1.049 227 K CA 1.673 58.009 56.287 0.082 0.000 0.933 227 K CB -0.439 32.105 32.500 0.074 0.000 0.717 227 K HN 0.417 nan 8.250 nan 0.000 0.442 228 Y N 1.271 121.588 120.300 0.028 0.000 2.097 228 Y HA -0.289 4.261 4.550 0.001 0.000 0.282 228 Y C 1.890 177.810 175.900 0.033 0.000 1.152 228 Y CA 1.763 59.879 58.100 0.028 0.000 1.136 228 Y CB -0.548 37.928 38.460 0.027 0.000 0.975 228 Y HN -0.167 nan 8.280 nan 0.000 0.498 229 V N -0.121 119.822 119.914 0.049 0.000 2.255 229 V HA -0.386 3.734 4.120 0.001 0.000 0.247 229 V C 2.316 178.366 176.094 -0.073 0.000 1.051 229 V CA 2.622 64.906 62.300 -0.026 0.000 1.018 229 V CB -1.305 30.591 31.823 0.121 0.000 0.641 229 V HN 0.535 nan 8.190 nan 0.000 0.445 230 T N 0.552 115.097 114.554 -0.014 0.000 2.737 230 T HA -0.172 4.178 4.350 0.001 0.000 0.269 230 T C 1.695 176.363 174.700 -0.053 0.000 1.040 230 T CA 1.889 63.981 62.100 -0.014 0.000 1.142 230 T CB -0.363 68.512 68.868 0.012 0.000 0.861 230 T HN 0.706 nan 8.240 nan 0.000 0.456 231 S N 0.164 115.809 115.700 -0.091 0.000 2.710 231 S HA 0.177 4.647 4.470 0.001 0.000 0.224 231 S C 1.394 175.886 174.600 -0.180 0.000 0.948 231 S CA -0.218 57.919 58.200 -0.105 0.000 0.949 231 S CB 0.071 63.228 63.200 -0.072 0.000 0.778 231 S HN 0.268 nan 8.310 nan 0.000 0.498 232 Q N 0.393 120.057 119.800 -0.226 0.000 2.254 232 Q HA 0.291 4.631 4.340 0.001 0.000 0.259 232 Q C 0.400 176.321 176.000 -0.132 0.000 0.815 232 Q CA 0.448 56.102 55.803 -0.250 0.000 0.961 232 Q CB 1.541 29.997 28.738 -0.470 0.000 1.140 232 Q HN 0.640 nan 8.270 nan 0.000 0.502 233 V N -0.981 118.879 119.914 -0.091 0.000 2.769 233 V HA 0.499 4.619 4.120 0.001 0.000 0.312 233 V C 0.696 176.777 176.094 -0.022 0.000 1.061 233 V CA -0.836 61.440 62.300 -0.041 0.000 0.931 233 V CB 2.062 33.875 31.823 -0.016 0.000 1.010 233 V HN 0.021 nan 8.190 nan 0.000 0.433 234 N N 1.383 120.078 118.700 -0.008 0.000 2.494 234 N HA -0.030 4.711 4.740 0.001 0.000 0.182 234 N C 0.663 176.181 175.510 0.013 0.000 1.076 234 N CA 0.501 53.552 53.050 0.001 0.000 0.908 234 N CB 0.184 38.673 38.487 0.003 0.000 0.967 234 N HN 0.877 nan 8.380 nan 0.000 0.449 235 T N 0.831 115.397 114.554 0.022 0.000 2.932 235 T HA 0.019 4.369 4.350 0.001 0.000 0.312 235 T C 0.072 174.793 174.700 0.035 0.000 1.071 235 T CA 0.320 62.442 62.100 0.037 0.000 1.128 235 T CB 0.866 69.765 68.868 0.052 0.000 0.984 235 T HN 0.026 nan 8.240 nan 0.000 0.549 236 T N 4.538 119.115 114.554 0.039 0.000 2.814 236 T HA 0.269 4.620 4.350 0.001 0.000 0.297 236 T C 0.180 174.906 174.700 0.043 0.000 0.956 236 T CA -0.384 61.738 62.100 0.036 0.000 1.123 236 T CB -0.019 68.870 68.868 0.034 0.000 0.902 236 T HN 0.251 nan 8.240 nan 0.000 0.528 237 I N 4.061 124.654 120.570 0.039 0.000 2.354 237 I HA 0.400 4.571 4.170 0.001 0.000 0.292 237 I C 0.058 176.198 176.117 0.038 0.000 0.989 237 I CA -0.757 60.571 61.300 0.046 0.000 1.188 237 I CB 1.411 39.440 38.000 0.049 0.000 1.342 237 I HN 0.619 nan 8.210 nan 0.000 0.457 238 M N 5.329 124.951 119.600 0.037 0.000 2.364 238 M HA 0.696 5.176 4.480 0.001 0.000 0.334 238 M C -0.726 175.593 176.300 0.031 0.000 1.107 238 M CA -0.565 54.753 55.300 0.030 0.000 0.988 238 M CB 1.961 34.576 32.600 0.025 0.000 1.673 238 M HN 0.682 nan 8.290 nan 0.000 0.441 239 A N 3.187 126.028 122.820 0.035 0.000 2.301 239 A HA 0.455 4.775 4.320 0.001 0.000 0.312 239 A C -0.572 177.040 177.584 0.047 0.000 1.182 239 A CA -0.458 51.605 52.037 0.044 0.000 0.826 239 A CB 0.843 19.873 19.000 0.050 0.000 1.134 239 A HN 0.956 nan 8.150 nan 0.000 0.501 240 D N 0.772 121.205 120.400 0.055 0.000 3.040 240 D HA 0.040 4.681 4.640 0.001 0.000 0.221 240 D C 1.242 177.615 176.300 0.122 0.000 1.515 240 D CA 0.498 54.533 54.000 0.059 0.000 1.379 240 D CB -0.163 40.656 40.800 0.032 0.000 0.992 240 D HN 0.451 nan 8.370 nan 0.000 0.234 241 E N 0.015 120.301 120.200 0.143 0.000 2.267 241 E HA -0.015 4.335 4.350 0.001 0.000 0.197 241 E C 1.727 178.512 176.600 0.308 0.000 0.998 241 E CA 0.809 57.382 56.400 0.289 0.000 0.830 241 E CB -0.063 29.768 29.700 0.219 0.000 0.751 241 E HN 0.027 nan 8.360 nan 0.000 0.491 242 S N -0.674 115.127 115.700 0.168 0.000 2.607 242 S HA 0.014 4.484 4.470 0.001 0.000 0.224 242 S C 0.189 174.870 174.600 0.135 0.000 0.969 242 S CA 0.079 58.343 58.200 0.106 0.000 0.927 242 S CB 0.038 63.277 63.200 0.065 0.000 0.772 242 S HN 0.324 nan 8.310 nan 0.000 0.533 243 C N 1.095 120.535 119.300 0.233 0.000 2.547 243 C HA 0.544 5.004 4.460 0.001 0.000 0.327 243 C C 0.535 175.745 174.990 0.367 0.000 1.076 243 C CA -0.893 58.262 59.018 0.229 0.000 1.390 243 C CB -1.346 26.470 27.740 0.126 0.000 1.918 243 C HN 0.393 nan 8.230 nan 0.000 0.438 244 F N 2.302 122.289 119.950 0.061 0.000 2.243 244 F HA 0.212 4.739 4.527 0.001 0.000 0.287 244 F C 1.403 177.251 175.800 0.080 0.000 1.067 244 F CA 1.018 59.073 58.000 0.091 0.000 1.304 244 F CB -0.136 38.953 39.000 0.148 0.000 1.087 244 F HN 0.639 nan 8.300 nan 0.000 0.513 245 D N -1.684 118.886 120.400 0.283 0.000 2.689 245 D HA 0.479 5.120 4.640 0.001 0.000 0.255 245 D C 1.029 177.389 176.300 0.100 0.000 1.113 245 D CA -0.158 53.941 54.000 0.165 0.000 1.115 245 D CB 0.218 41.124 40.800 0.176 0.000 1.334 245 D HN -0.006 nan 8.370 nan 0.000 0.621 246 A N -0.731 122.127 122.820 0.063 0.000 1.933 246 A HA -0.216 4.104 4.320 0.001 0.000 0.218 246 A C 1.970 179.577 177.584 0.038 0.000 1.175 246 A CA 1.646 53.703 52.037 0.034 0.000 0.628 246 A CB -0.955 18.051 19.000 0.009 0.000 0.814 246 A HN 0.589 nan 8.150 nan 0.000 0.444 247 Q N -0.473 119.356 119.800 0.049 0.000 2.124 247 Q HA -0.171 4.169 4.340 0.001 0.000 0.202 247 Q C 1.352 177.374 176.000 0.038 0.000 0.977 247 Q CA 1.374 57.201 55.803 0.040 0.000 0.850 247 Q CB -0.211 28.552 28.738 0.042 0.000 0.901 247 Q HN 0.617 nan 8.270 nan 0.000 0.429 248 D N 0.587 121.020 120.400 0.054 0.000 2.097 248 D HA -0.113 4.527 4.640 0.001 0.000 0.197 248 D C 1.827 178.155 176.300 0.045 0.000 0.984 248 D CA 1.271 55.301 54.000 0.049 0.000 0.826 248 D CB -0.158 40.692 40.800 0.083 0.000 0.973 248 D HN 0.221 nan 8.370 nan 0.000 0.460 249 A N 1.010 123.860 122.820 0.050 0.000 1.908 249 A HA -0.173 4.148 4.320 0.001 0.000 0.218 249 A C 2.172 179.770 177.584 0.024 0.000 1.181 249 A CA 1.059 53.117 52.037 0.036 0.000 0.627 249 A CB -0.728 18.290 19.000 0.030 0.000 0.818 249 A HN 0.220 nan 8.150 nan 0.000 0.445 250 L N -0.220 121.016 121.223 0.022 0.000 2.046 250 L HA -0.127 4.214 4.340 0.001 0.000 0.208 250 L C 2.242 179.121 176.870 0.015 0.000 1.077 250 L CA 2.671 57.520 54.840 0.015 0.000 0.747 250 L CB -0.626 41.442 42.059 0.014 0.000 0.896 250 L HN 0.511 nan 8.230 nan 0.000 0.432 251 E N -0.720 119.490 120.200 0.017 0.000 2.106 251 E HA -0.170 4.180 4.350 0.001 0.000 0.192 251 E C 2.147 178.757 176.600 0.016 0.000 0.984 251 E CA 1.283 57.691 56.400 0.014 0.000 0.806 251 E CB -0.287 29.420 29.700 0.011 0.000 0.750 251 E HN 0.550 nan 8.360 nan 0.000 0.458 252 L N -0.070 121.165 121.223 0.021 0.000 2.056 252 L HA -0.138 4.202 4.340 0.001 0.000 0.207 252 L C 2.520 179.401 176.870 0.020 0.000 1.078 252 L CA 1.258 56.112 54.840 0.023 0.000 0.749 252 L CB -0.637 41.440 42.059 0.030 0.000 0.901 252 L HN 0.209 nan 8.230 nan 0.000 0.433 253 V N -2.149 117.775 119.914 0.017 0.000 2.427 253 V HA -0.252 3.868 4.120 0.001 0.000 0.248 253 V C 2.483 178.584 176.094 0.012 0.000 1.051 253 V CA 1.874 64.181 62.300 0.013 0.000 1.048 253 V CB -0.825 31.003 31.823 0.009 0.000 0.666 253 V HN 0.432 nan 8.190 nan 0.000 0.456 254 K N 0.842 121.249 120.400 0.012 0.000 2.032 254 K HA -0.190 4.130 4.320 0.001 0.000 0.209 254 K C 2.244 178.852 176.600 0.012 0.000 1.048 254 K CA 1.997 58.291 56.287 0.011 0.000 0.927 254 K CB -0.200 32.306 32.500 0.010 0.000 0.712 254 K HN 0.516 nan 8.250 nan 0.000 0.441 255 K N -1.000 119.409 120.400 0.015 0.000 2.365 255 K HA 0.043 4.364 4.320 0.001 0.000 0.197 255 K C 0.714 177.325 176.600 0.019 0.000 1.042 255 K CA 0.629 56.926 56.287 0.017 0.000 0.987 255 K CB 0.320 32.832 32.500 0.020 0.000 0.779 255 K HN 0.491 nan 8.250 nan 0.000 0.484 256 G N 1.862 110.672 108.800 0.018 0.000 2.198 256 G HA2 -0.262 3.699 3.960 0.001 0.000 0.257 256 G HA3 -0.262 3.699 3.960 0.001 0.000 0.257 256 G C 0.663 175.576 174.900 0.021 0.000 1.042 256 G CA 0.682 45.792 45.100 0.017 0.000 0.791 256 G HN 0.266 nan 8.290 nan 0.000 0.502 257 T N -1.411 113.158 114.554 0.026 0.000 2.833 257 T HA 0.209 4.559 4.350 0.001 0.000 0.269 257 T C 1.426 176.146 174.700 0.033 0.000 1.054 257 T CA 1.859 63.978 62.100 0.032 0.000 1.135 257 T CB -0.084 68.805 68.868 0.035 0.000 0.869 257 T HN 1.675 nan 8.240 nan 0.000 0.466 258 V N -2.064 117.867 119.914 0.028 0.000 3.202 258 V HA 0.538 4.659 4.120 0.001 0.000 0.306 258 V C -0.527 175.580 176.094 0.022 0.000 1.283 258 V CA -0.967 61.350 62.300 0.028 0.000 1.065 258 V CB 2.028 33.871 31.823 0.033 0.000 1.079 258 V HN -0.177 nan 8.190 nan 0.000 0.448 259 D N 0.041 120.454 120.400 0.022 0.000 2.262 259 D HA 0.245 4.886 4.640 0.001 0.000 0.212 259 D C 0.448 176.758 176.300 0.017 0.000 0.964 259 D CA 1.243 55.254 54.000 0.018 0.000 0.875 259 D CB 1.161 41.972 40.800 0.019 0.000 0.996 259 D HN 0.417 nan 8.370 nan 0.000 0.497 260 V N 0.837 120.764 119.914 0.020 0.000 3.078 260 V HA 0.450 4.571 4.120 0.001 0.000 0.311 260 V C -0.524 175.582 176.094 0.020 0.000 1.138 260 V CA -0.849 61.462 62.300 0.018 0.000 1.007 260 V CB 3.165 34.999 31.823 0.018 0.000 1.045 260 V HN -0.115 nan 8.190 nan 0.000 0.432 261 I N 2.342 122.922 120.570 0.017 0.000 2.545 261 I HA 0.396 4.567 4.170 0.001 0.000 0.292 261 I C -0.604 175.522 176.117 0.014 0.000 1.040 261 I CA -0.552 60.760 61.300 0.020 0.000 1.068 261 I CB 2.100 40.113 38.000 0.022 0.000 1.251 261 I HN 0.610 nan 8.210 nan 0.000 0.424 262 N N 7.495 126.205 118.700 0.017 0.000 2.419 262 N HA 0.397 5.137 4.740 0.001 0.000 0.264 262 N C -1.102 174.407 175.510 -0.001 0.000 1.031 262 N CA -0.121 52.932 53.050 0.006 0.000 0.951 262 N CB 0.906 39.397 38.487 0.005 0.000 1.101 262 N HN 0.477 nan 8.380 nan 0.000 0.488 263 I N 3.076 123.638 120.570 -0.012 0.000 2.359 263 I HA 0.281 4.451 4.170 0.001 0.000 0.294 263 I C 0.231 176.324 176.117 -0.039 0.000 0.987 263 I CA -0.519 60.769 61.300 -0.021 0.000 1.225 263 I CB 1.180 39.167 38.000 -0.021 0.000 1.366 263 I HN 0.220 nan 8.210 nan 0.000 0.466 264 K N 6.326 126.691 120.400 -0.058 0.000 2.471 264 K HA 0.414 4.734 4.320 0.001 0.000 0.252 264 K C 0.492 177.049 176.600 -0.072 0.000 0.938 264 K CA -0.699 55.543 56.287 -0.074 0.000 0.796 264 K CB 2.567 35.003 32.500 -0.106 0.000 1.161 264 K HN 0.548 nan 8.250 nan 0.000 0.425 265 L N 1.752 122.942 121.223 -0.055 0.000 2.127 265 L HA -0.187 4.154 4.340 0.001 0.000 0.211 265 L C 1.709 178.551 176.870 -0.047 0.000 1.089 265 L CA 1.247 56.065 54.840 -0.037 0.000 0.757 265 L CB -0.253 41.792 42.059 -0.024 0.000 0.899 265 L HN 0.664 nan 8.230 nan 0.000 0.434 266 M N -0.770 118.784 119.600 -0.077 0.000 2.659 266 M HA -0.062 4.418 4.480 0.001 0.000 0.243 266 M C 1.710 177.916 176.300 -0.157 0.000 1.111 266 M CA 1.218 56.459 55.300 -0.098 0.000 1.070 266 M CB -0.636 31.904 32.600 -0.101 0.000 1.525 266 M HN 0.213 nan 8.290 nan 0.000 0.517 267 K N -0.477 119.809 120.400 -0.190 0.000 2.313 267 K HA 0.049 4.369 4.320 0.001 0.000 0.197 267 K C 1.816 178.348 176.600 -0.113 0.000 1.061 267 K CA 0.908 56.995 56.287 -0.334 0.000 0.980 267 K CB 0.447 32.651 32.500 -0.493 0.000 0.888 267 K HN 0.494 nan 8.250 nan 0.000 0.502 268 C N -1.296 117.981 119.300 -0.039 0.000 2.912 268 C HA 0.454 4.914 4.460 0.001 0.000 0.274 268 C C 1.306 176.332 174.990 0.059 0.000 1.248 268 C CA -0.018 59.026 59.018 0.044 0.000 1.694 268 C CB -0.333 27.424 27.740 0.030 0.000 2.024 268 C HN 0.541 nan 8.230 nan 0.000 0.605 269 G N 0.102 108.925 108.800 0.037 0.000 2.140 269 G HA2 0.422 4.383 3.960 0.001 0.000 0.211 269 G HA3 0.422 4.383 3.960 0.001 0.000 0.211 269 G C 0.599 175.605 174.900 0.177 0.000 1.013 269 G CA 0.219 45.373 45.100 0.091 0.000 0.705 269 G HN 2.540 nan 8.290 nan 0.000 0.508 270 G N -1.713 107.154 108.800 0.112 0.000 2.440 270 G HA2 0.170 4.130 3.960 0.001 0.000 0.684 270 G HA3 0.170 4.130 3.960 0.001 0.000 0.684 270 G C 0.745 175.702 174.900 0.095 0.000 1.309 270 G CA -0.142 45.047 45.100 0.150 0.000 0.931 270 G HN 0.909 nan 8.290 nan 0.000 0.612 271 I N -0.026 120.583 120.570 0.064 0.000 2.208 271 I HA -0.246 3.925 4.170 0.001 0.000 0.245 271 I C 2.436 178.530 176.117 -0.039 0.000 1.097 271 I CA 1.863 63.093 61.300 -0.117 0.000 1.363 271 I CB -0.251 37.418 38.000 -0.552 0.000 1.051 271 I HN 0.736 nan 8.210 nan 0.000 0.413 272 H N 0.764 119.888 119.070 0.090 0.000 2.387 272 H HA -0.234 4.322 4.556 0.001 0.000 0.299 272 H C 2.040 177.296 175.328 -0.121 0.000 1.099 272 H CA 2.160 58.226 56.048 0.031 0.000 1.315 272 H CB 0.292 30.010 29.762 -0.073 0.000 1.380 272 H HN 0.337 nan 8.280 nan 0.000 0.513 273 E N 0.244 120.385 120.200 -0.099 0.000 2.170 273 E HA 0.053 4.404 4.350 0.001 0.000 0.191 273 E C 2.261 178.812 176.600 -0.082 0.000 0.981 273 E CA 0.917 57.252 56.400 -0.107 0.000 0.830 273 E CB -0.200 29.480 29.700 -0.032 0.000 0.775 273 E HN 0.459 nan 8.360 nan 0.000 0.470 274 A N 0.669 123.451 122.820 -0.063 0.000 1.933 274 A HA -0.123 4.197 4.320 0.001 0.000 0.218 274 A C 2.176 179.713 177.584 -0.077 0.000 1.175 274 A CA 1.190 53.193 52.037 -0.058 0.000 0.628 274 A CB -0.698 18.268 19.000 -0.057 0.000 0.814 274 A HN 0.336 nan 8.150 nan 0.000 0.444 275 L N -0.677 120.480 121.223 -0.110 0.000 2.012 275 L HA -0.249 4.091 4.340 0.001 0.000 0.210 275 L C 2.621 179.427 176.870 -0.107 0.000 1.073 275 L CA 1.924 56.697 54.840 -0.111 0.000 0.748 275 L CB -0.493 41.486 42.059 -0.134 0.000 0.891 275 L HN 0.380 nan 8.230 nan 0.000 0.431 276 K N 0.227 120.545 120.400 -0.138 0.000 2.032 276 K HA -0.191 4.129 4.320 0.001 0.000 0.209 276 K C 2.035 178.599 176.600 -0.059 0.000 1.048 276 K CA 1.515 57.739 56.287 -0.106 0.000 0.927 276 K CB -0.306 32.124 32.500 -0.115 0.000 0.712 276 K HN 0.225 nan 8.250 nan 0.000 0.441 277 I N 1.396 121.938 120.570 -0.046 0.000 2.163 277 I HA -0.332 3.838 4.170 0.001 0.000 0.243 277 I C 2.315 178.417 176.117 -0.025 0.000 1.085 277 I CA 1.340 62.627 61.300 -0.021 0.000 1.347 277 I CB -0.413 37.582 38.000 -0.008 0.000 1.044 277 I HN 0.247 nan 8.210 nan 0.000 0.408 278 N N 0.391 119.070 118.700 -0.036 0.000 2.120 278 N HA -0.213 4.527 4.740 0.001 0.000 0.188 278 N C 1.911 177.398 175.510 -0.039 0.000 1.024 278 N CA 1.378 54.405 53.050 -0.037 0.000 0.852 278 N CB 0.025 38.484 38.487 -0.046 0.000 1.003 278 N HN 0.254 nan 8.380 nan 0.000 0.424 279 Q N 0.040 119.815 119.800 -0.043 0.000 2.079 279 Q HA -0.064 4.277 4.340 0.001 0.000 0.200 279 Q C 2.245 178.227 176.000 -0.029 0.000 0.974 279 Q CA 0.977 56.756 55.803 -0.039 0.000 0.840 279 Q CB -0.159 28.553 28.738 -0.043 0.000 0.898 279 Q HN 0.559 nan 8.270 nan 0.000 0.430 280 I N 0.107 120.662 120.570 -0.025 0.000 2.179 280 I HA -0.326 3.845 4.170 0.001 0.000 0.242 280 I C 2.504 178.613 176.117 -0.012 0.000 1.088 280 I CA 0.852 62.143 61.300 -0.015 0.000 1.357 280 I CB -0.387 37.607 38.000 -0.009 0.000 1.051 280 I HN 0.194 nan 8.210 nan 0.000 0.409 281 C N 0.386 119.679 119.300 -0.013 0.000 2.436 281 C HA -0.175 4.285 4.460 0.001 0.000 0.277 281 C C 2.814 177.794 174.990 -0.016 0.000 1.241 281 C CA 1.064 60.076 59.018 -0.011 0.000 1.721 281 C CB -1.008 26.726 27.740 -0.010 0.000 2.043 281 C HN 0.539 nan 8.230 nan 0.000 0.472 282 E N 0.596 120.780 120.200 -0.026 0.000 2.097 282 E HA -0.241 4.110 4.350 0.001 0.000 0.196 282 E C 1.871 178.456 176.600 -0.025 0.000 1.000 282 E CA 1.946 58.327 56.400 -0.032 0.000 0.804 282 E CB -0.132 29.541 29.700 -0.046 0.000 0.740 282 E HN 0.593 nan 8.360 nan 0.000 0.454 283 T N 0.029 114.571 114.554 -0.021 0.000 2.833 283 T HA -0.059 4.292 4.350 0.001 0.000 0.269 283 T C 1.557 176.251 174.700 -0.010 0.000 1.054 283 T CA 1.150 63.241 62.100 -0.015 0.000 1.135 283 T CB -0.096 68.764 68.868 -0.013 0.000 0.869 283 T HN 0.309 nan 8.240 nan 0.000 0.466 284 A N 0.232 123.047 122.820 -0.008 0.000 2.275 284 A HA 0.554 4.874 4.320 0.001 0.000 0.212 284 A C 1.737 179.319 177.584 -0.004 0.000 1.201 284 A CA 0.562 52.597 52.037 -0.004 0.000 0.843 284 A CB -0.571 18.428 19.000 -0.001 0.000 0.873 284 A HN 0.672 nan 8.150 nan 0.000 0.492 285 G N -0.550 108.246 108.800 -0.008 0.000 2.160 285 G HA2 -0.209 3.751 3.960 0.001 0.000 0.244 285 G HA3 -0.209 3.751 3.960 0.001 0.000 0.244 285 G C -0.076 174.821 174.900 -0.005 0.000 1.022 285 G CA 0.348 45.444 45.100 -0.007 0.000 0.741 285 G HN 0.491 nan 8.290 nan 0.000 0.508 286 I N 1.039 121.606 120.570 -0.006 0.000 2.355 286 I HA 0.300 4.470 4.170 0.001 0.000 0.288 286 I C 0.597 176.709 176.117 -0.007 0.000 0.999 286 I CA -0.777 60.522 61.300 -0.002 0.000 1.163 286 I CB 1.134 39.135 38.000 0.002 0.000 1.316 286 I HN 0.154 nan 8.210 nan 0.000 0.454 287 E N 4.490 124.687 120.200 -0.005 0.000 2.371 287 E HA 0.365 4.715 4.350 0.001 0.000 0.257 287 E C -0.961 175.636 176.600 -0.005 0.000 1.134 287 E CA -0.523 55.871 56.400 -0.010 0.000 0.919 287 E CB 1.402 31.099 29.700 -0.005 0.000 1.025 287 E HN 0.494 nan 8.360 nan 0.000 0.438 288 C N 1.298 120.593 119.300 -0.009 0.000 2.707 288 C HA 0.546 5.006 4.460 0.001 0.000 0.313 288 C C -0.200 174.788 174.990 -0.003 0.000 1.209 288 C CA -0.691 58.323 59.018 -0.006 0.000 1.635 288 C CB 1.037 28.769 27.740 -0.013 0.000 2.206 288 C HN 0.732 nan 8.230 nan 0.000 0.485 289 M N 2.848 122.448 119.600 0.001 0.000 2.383 289 M HA 0.673 5.154 4.480 0.001 0.000 0.325 289 M C -1.134 175.163 176.300 -0.005 0.000 1.092 289 M CA -0.516 54.786 55.300 0.003 0.000 0.961 289 M CB 1.133 33.738 32.600 0.008 0.000 1.672 289 M HN 0.735 nan 8.290 nan 0.000 0.438 290 I N 4.133 124.699 120.570 -0.007 0.000 2.365 290 I HA 0.691 4.861 4.170 0.001 0.000 0.291 290 I C 0.000 176.104 176.117 -0.023 0.000 1.004 290 I CA 0.392 61.682 61.300 -0.017 0.000 1.311 290 I CB 1.186 39.177 38.000 -0.016 0.000 1.401 290 I HN 0.762 nan 8.210 nan 0.000 0.491 291 G N 5.488 114.268 108.800 -0.035 0.000 3.175 291 G HA2 0.743 4.703 3.960 0.001 0.000 0.255 291 G HA3 0.743 4.703 3.960 0.001 0.000 0.255 291 G C -1.295 173.566 174.900 -0.065 0.000 1.352 291 G CA -0.132 44.940 45.100 -0.046 0.000 1.037 291 G HN 1.001 nan 8.290 nan 0.000 0.556 292 C N -2.343 116.909 119.300 -0.079 0.000 3.321 292 C HA 0.831 5.292 4.460 0.001 0.000 0.329 292 C C -0.593 174.339 174.990 -0.096 0.000 1.394 292 C CA -1.207 57.753 59.018 -0.096 0.000 1.291 292 C CB 0.948 28.614 27.740 -0.122 0.000 1.606 292 C HN 0.648 nan 8.230 nan 0.000 0.463 293 M N 1.710 121.249 119.600 -0.101 0.000 2.478 293 M HA 0.466 4.947 4.480 0.001 0.000 0.327 293 M C 1.215 177.443 176.300 -0.120 0.000 1.187 293 M CA -0.225 55.018 55.300 -0.095 0.000 1.022 293 M CB 1.395 33.934 32.600 -0.101 0.000 1.629 293 M HN 1.073 nan 8.290 nan 0.000 0.461 294 A N 1.520 124.271 122.820 -0.114 0.000 2.067 294 A HA -0.076 4.244 4.320 0.001 0.000 0.219 294 A C 1.483 178.996 177.584 -0.120 0.000 1.158 294 A CA 1.376 53.326 52.037 -0.145 0.000 0.661 294 A CB -0.409 18.527 19.000 -0.106 0.000 0.801 294 A HN 0.873 nan 8.150 nan 0.000 0.452 295 E N 0.568 120.701 120.200 -0.111 0.000 2.502 295 E HA 0.053 4.404 4.350 0.001 0.000 0.194 295 E C 0.229 176.778 176.600 -0.085 0.000 1.062 295 E CA 0.136 56.478 56.400 -0.097 0.000 0.867 295 E CB 0.112 29.746 29.700 -0.110 0.000 0.888 295 E HN 0.703 nan 8.360 nan 0.000 0.510 296 E N 0.146 120.290 120.200 -0.094 0.000 2.314 296 E HA 0.286 4.636 4.350 0.001 0.000 0.262 296 E C 0.337 176.887 176.600 -0.083 0.000 1.093 296 E CA -0.052 56.299 56.400 -0.082 0.000 0.908 296 E CB 1.295 30.942 29.700 -0.088 0.000 1.091 296 E HN 0.119 nan 8.360 nan 0.000 0.425 297 T N -2.769 111.746 114.554 -0.065 0.000 2.551 297 T HA 0.158 4.509 4.350 0.001 0.000 0.249 297 T C 1.270 175.936 174.700 -0.056 0.000 0.851 297 T CA -0.259 61.805 62.100 -0.061 0.000 1.149 297 T CB 0.268 69.113 68.868 -0.039 0.000 1.456 297 T HN 0.299 nan 8.240 nan 0.000 0.514 298 T N 1.343 115.872 114.554 -0.043 0.000 2.653 298 T HA -0.101 4.249 4.350 0.001 0.000 0.268 298 T C 1.947 176.629 174.700 -0.029 0.000 1.035 298 T CA 2.091 64.170 62.100 -0.036 0.000 1.154 298 T CB -0.781 68.065 68.868 -0.036 0.000 0.862 298 T HN 0.480 nan 8.240 nan 0.000 0.441 299 I N 1.063 121.618 120.570 -0.026 0.000 2.142 299 I HA -0.083 4.087 4.170 0.001 0.000 0.240 299 I C 3.018 179.134 176.117 -0.001 0.000 1.078 299 I CA 1.454 62.749 61.300 -0.008 0.000 1.343 299 I CB -0.903 37.108 38.000 0.019 0.000 1.046 299 I HN 0.330 nan 8.210 nan 0.000 0.405 300 G N 1.294 110.087 108.800 -0.013 0.000 2.422 300 G HA2 -0.177 3.783 3.960 0.001 0.000 0.218 300 G HA3 -0.177 3.783 3.960 0.001 0.000 0.218 300 G C 1.619 176.503 174.900 -0.026 0.000 1.146 300 G CA 0.426 45.514 45.100 -0.020 0.000 0.769 300 G HN 0.178 nan 8.290 nan 0.000 0.547 301 I N 1.440 121.986 120.570 -0.040 0.000 2.252 301 I HA -0.098 4.072 4.170 0.001 0.000 0.245 301 I C 2.886 179.002 176.117 -0.002 0.000 1.102 301 I CA 1.414 62.684 61.300 -0.049 0.000 1.385 301 I CB -1.452 36.493 38.000 -0.092 0.000 1.064 301 I HN 0.111 nan 8.210 nan 0.000 0.414 302 T N 1.389 115.959 114.554 0.026 0.000 2.746 302 T HA -0.099 4.251 4.350 0.001 0.000 0.267 302 T C 2.069 176.865 174.700 0.160 0.000 1.039 302 T CA 1.491 63.652 62.100 0.102 0.000 1.142 302 T CB -0.278 68.644 68.868 0.091 0.000 0.866 302 T HN 0.432 nan 8.240 nan 0.000 0.444 303 A N 1.520 124.382 122.820 0.069 0.000 1.902 303 A HA 0.147 4.467 4.320 0.001 0.000 0.217 303 A C 2.653 180.270 177.584 0.055 0.000 1.181 303 A CA 1.830 53.894 52.037 0.044 0.000 0.623 303 A CB -1.121 17.882 19.000 0.006 0.000 0.818 303 A HN 0.506 nan 8.150 nan 0.000 0.443 304 A N -0.259 122.577 122.820 0.026 0.000 1.933 304 A HA 0.175 4.496 4.320 0.001 0.000 0.218 304 A C 2.457 180.057 177.584 0.027 0.000 1.175 304 A CA 1.999 54.040 52.037 0.007 0.000 0.628 304 A CB -0.881 18.108 19.000 -0.019 0.000 0.814 304 A HN 1.031 nan 8.150 nan 0.000 0.444 305 A N -1.338 121.511 122.820 0.048 0.000 1.930 305 A HA -0.157 4.164 4.320 0.001 0.000 0.217 305 A C 2.044 179.639 177.584 0.018 0.000 1.175 305 A CA 1.406 53.455 52.037 0.021 0.000 0.627 305 A CB -0.879 18.125 19.000 0.006 0.000 0.815 305 A HN 0.690 nan 8.150 nan 0.000 0.443 306 H N -1.323 117.768 119.070 0.036 0.000 2.389 306 H HA -0.090 4.466 4.556 0.001 0.000 0.299 306 H C 2.110 177.477 175.328 0.064 0.000 1.081 306 H CA 1.716 57.820 56.048 0.093 0.000 1.345 306 H CB -0.061 29.763 29.762 0.102 0.000 1.393 306 H HN 0.446 nan 8.280 nan 0.000 0.520 307 L N 1.036 122.330 121.223 0.118 0.000 2.027 307 L HA -0.050 4.291 4.340 0.001 0.000 0.206 307 L C 2.584 179.471 176.870 0.029 0.000 1.074 307 L CA 1.804 56.664 54.840 0.033 0.000 0.745 307 L CB -0.771 41.270 42.059 -0.031 0.000 0.898 307 L HN 0.118 nan 8.230 nan 0.000 0.433 308 A N -0.344 122.488 122.820 0.020 0.000 1.902 308 A HA -0.096 4.224 4.320 0.001 0.000 0.217 308 A C 2.453 180.051 177.584 0.022 0.000 1.181 308 A CA 1.868 53.912 52.037 0.011 0.000 0.623 308 A CB -1.218 17.784 19.000 0.002 0.000 0.818 308 A HN 0.596 nan 8.150 nan 0.000 0.443 309 A N -0.176 122.647 122.820 0.005 0.000 1.902 309 A HA 0.168 4.489 4.320 0.001 0.000 0.217 309 A C 2.494 180.120 177.584 0.069 0.000 1.181 309 A CA 2.083 54.107 52.037 -0.021 0.000 0.623 309 A CB -0.997 17.906 19.000 -0.162 0.000 0.818 309 A HN 1.074 nan 8.150 nan 0.000 0.443 310 A N -1.600 121.289 122.820 0.115 0.000 1.969 310 A HA -0.004 4.316 4.320 0.001 0.000 0.218 310 A C 1.225 178.898 177.584 0.147 0.000 1.169 310 A CA 0.780 52.922 52.037 0.175 0.000 0.635 310 A CB -0.128 18.980 19.000 0.180 0.000 0.810 310 A HN 0.478 nan 8.150 nan 0.000 0.445 311 Q N -0.397 119.444 119.800 0.070 0.000 2.303 311 Q HA 0.199 4.539 4.340 0.001 0.000 0.257 311 Q C 0.534 176.467 176.000 -0.111 0.000 0.941 311 Q CA -0.197 55.594 55.803 -0.020 0.000 0.931 311 Q CB 1.747 30.465 28.738 -0.033 0.000 1.215 311 Q HN 0.576 nan 8.270 nan 0.000 0.437 312 K N 2.978 123.157 120.400 -0.369 0.000 2.097 312 K HA -0.199 4.121 4.320 0.001 0.000 0.206 312 K C 1.043 177.472 176.600 -0.285 0.000 1.049 312 K CA 1.664 57.551 56.287 -0.666 0.000 0.933 312 K CB 0.261 32.114 32.500 -1.077 0.000 0.717 312 K HN 0.381 nan 8.250 nan 0.000 0.442 313 N N 0.503 119.091 118.700 -0.186 0.000 2.521 313 N HA 0.010 4.750 4.740 0.001 0.000 0.188 313 N C -0.231 175.243 175.510 -0.059 0.000 1.146 313 N CA 0.222 53.210 53.050 -0.104 0.000 0.893 313 N CB 0.130 38.566 38.487 -0.084 0.000 0.975 313 N HN 0.168 nan 8.380 nan 0.000 0.451 314 I N 1.208 121.747 120.570 -0.050 0.000 2.241 314 I HA 0.066 4.237 4.170 0.001 0.000 0.294 314 I C 0.957 177.071 176.117 -0.004 0.000 1.145 314 I CA -0.163 61.124 61.300 -0.021 0.000 1.261 314 I CB 0.491 38.481 38.000 -0.016 0.000 1.475 314 I HN 0.149 nan 8.210 nan 0.000 0.533 315 T N 1.848 116.402 114.554 -0.000 0.000 3.107 315 T HA 0.240 4.591 4.350 0.001 0.000 0.249 315 T C 0.854 175.569 174.700 0.025 0.000 1.096 315 T CA 0.065 62.175 62.100 0.017 0.000 1.012 315 T CB 0.183 69.059 68.868 0.014 0.000 0.977 315 T HN 0.416 nan 8.240 nan 0.000 0.527 316 R N -0.074 120.438 120.500 0.021 0.000 2.808 316 R HA 0.801 5.142 4.340 0.001 0.000 0.272 316 R C -1.642 174.672 176.300 0.024 0.000 0.995 316 R CA -0.881 55.235 56.100 0.027 0.000 0.917 316 R CB 2.336 32.652 30.300 0.027 0.000 1.217 316 R HN 0.227 nan 8.270 nan 0.000 0.471 317 A N 0.875 123.715 122.820 0.033 0.000 2.488 317 A HA 0.413 4.733 4.320 0.001 0.000 0.298 317 A C -1.634 175.972 177.584 0.037 0.000 1.044 317 A CA -0.554 51.500 52.037 0.028 0.000 0.693 317 A CB 1.719 20.737 19.000 0.030 0.000 1.272 317 A HN 0.676 nan 8.150 nan 0.000 0.402 318 D N 2.495 122.902 120.400 0.010 0.000 2.513 318 D HA 0.393 5.033 4.640 0.001 0.000 0.295 318 D C -1.135 175.135 176.300 -0.050 0.000 1.202 318 D CA 0.063 54.062 54.000 -0.002 0.000 0.849 318 D CB -0.014 40.780 40.800 -0.010 0.000 1.116 318 D HN 0.345 nan 8.370 nan 0.000 0.502 319 L N 2.594 123.784 121.223 -0.055 0.000 2.506 319 L HA 0.381 4.722 4.340 0.001 0.000 0.247 319 L C 0.013 176.687 176.870 -0.328 0.000 1.141 319 L CA -0.382 54.373 54.840 -0.140 0.000 0.973 319 L CB 0.863 42.872 42.059 -0.083 0.000 1.319 319 L HN 0.150 nan 8.230 nan 0.000 0.455 320 D N -0.051 120.086 120.400 -0.437 0.000 2.513 320 D HA 0.080 4.721 4.640 0.001 0.000 0.222 320 D C 1.437 177.280 176.300 -0.762 0.000 1.210 320 D CA 0.025 53.485 54.000 -0.900 0.000 0.825 320 D CB 0.663 41.273 40.800 -0.318 0.000 1.037 320 D HN 0.237 nan 8.370 nan 0.000 0.506 321 A N 1.090 123.613 122.820 -0.494 0.000 2.019 321 A HA -0.156 4.164 4.320 0.001 0.000 0.219 321 A C 2.261 179.671 177.584 -0.290 0.000 1.164 321 A CA 2.209 54.042 52.037 -0.340 0.000 0.644 321 A CB -1.054 17.803 19.000 -0.238 0.000 0.805 321 A HN 0.407 nan 8.150 nan 0.000 0.449 322 T N -3.523 110.813 114.554 -0.363 0.000 3.023 322 T HA -0.028 4.323 4.350 0.001 0.000 0.266 322 T C 1.363 176.076 174.700 0.023 0.000 1.093 322 T CA 0.960 62.965 62.100 -0.160 0.000 1.129 322 T CB -0.567 68.244 68.868 -0.096 0.000 0.899 322 T HN 0.233 nan 8.240 nan 0.000 0.491 323 F N 2.247 122.192 119.950 -0.009 0.000 2.365 323 F HA 0.321 4.848 4.527 0.001 0.000 0.300 323 F C 2.426 178.227 175.800 0.002 0.000 1.090 323 F CA -0.128 57.879 58.000 0.012 0.000 1.408 323 F CB -1.156 37.858 39.000 0.023 0.000 1.060 323 F HN 0.413 nan 8.300 nan 0.000 0.534 324 G N -0.217 108.655 108.800 0.120 0.000 3.088 324 G HA2 0.229 4.189 3.960 0.001 0.000 0.217 324 G HA3 0.229 4.189 3.960 0.001 0.000 0.217 324 G C 0.559 175.489 174.900 0.050 0.000 1.159 324 G CA -0.231 44.915 45.100 0.076 0.000 0.760 324 G HN 0.099 nan 8.290 nan 0.000 0.550 325 L N 0.815 122.063 121.223 0.042 0.000 2.380 325 L HA 0.234 4.574 4.340 0.001 0.000 0.273 325 L C 1.315 178.208 176.870 0.037 0.000 1.138 325 L CA -0.622 54.234 54.840 0.027 0.000 0.832 325 L CB 1.069 43.136 42.059 0.013 0.000 1.124 325 L HN 0.011 nan 8.230 nan 0.000 0.454 326 E N 0.880 121.098 120.200 0.029 0.000 2.208 326 E HA -0.042 4.308 4.350 0.001 0.000 0.193 326 E C 0.561 177.176 176.600 0.025 0.000 0.988 326 E CA 0.693 57.110 56.400 0.028 0.000 0.828 326 E CB 0.392 30.106 29.700 0.023 0.000 0.763 326 E HN 0.696 nan 8.360 nan 0.000 0.478 327 T N -1.447 113.119 114.554 0.020 0.000 2.802 327 T HA 0.556 4.907 4.350 0.001 0.000 0.311 327 T C -1.798 172.910 174.700 0.013 0.000 1.405 327 T CA -0.322 61.788 62.100 0.017 0.000 1.016 327 T CB 1.474 70.350 68.868 0.013 0.000 1.352 327 T HN -0.042 nan 8.240 nan 0.000 0.498 328 A N 3.558 126.384 122.820 0.011 0.000 2.320 328 A HA 0.619 4.939 4.320 0.001 0.000 0.287 328 A C -1.155 176.428 177.584 -0.001 0.000 1.181 328 A CA -1.237 50.802 52.037 0.004 0.000 0.831 328 A CB 0.294 19.296 19.000 0.003 0.000 1.102 328 A HN 0.734 nan 8.150 nan 0.000 0.513 329 P HA 0.045 nan 4.420 nan 0.000 0.229 329 P C 0.302 177.599 177.300 -0.006 0.000 1.160 329 P CA 0.811 63.911 63.100 -0.000 0.000 0.777 329 P CB 0.244 31.944 31.700 -0.000 0.000 0.814 330 V N -1.452 118.443 119.914 -0.032 0.000 3.202 330 V HA 0.427 4.547 4.120 0.001 0.000 0.306 330 V C -1.039 175.011 176.094 -0.073 0.000 1.283 330 V CA -0.615 61.641 62.300 -0.073 0.000 1.065 330 V CB 2.221 33.947 31.823 -0.163 0.000 1.079 330 V HN -0.165 nan 8.190 nan 0.000 0.448 331 T N 2.095 116.586 114.554 -0.105 0.000 2.829 331 T HA 0.721 5.072 4.350 0.001 0.000 0.282 331 T C 0.089 174.732 174.700 -0.095 0.000 0.990 331 T CA 0.730 62.786 62.100 -0.074 0.000 1.028 331 T CB 0.839 69.678 68.868 -0.048 0.000 0.951 331 T HN 1.853 nan 8.240 nan 0.000 0.460 332 G N 1.612 110.382 108.800 -0.050 0.000 2.681 332 G HA2 0.336 4.297 3.960 0.001 0.000 0.220 332 G HA3 0.336 4.297 3.960 0.001 0.000 0.220 332 G C 0.319 175.202 174.900 -0.028 0.000 1.353 332 G CA -0.298 44.781 45.100 -0.036 0.000 0.872 332 G HN 1.890 nan 8.290 nan 0.000 0.557 333 G N -2.544 106.256 108.800 -0.000 0.000 2.593 333 G HA2 0.181 4.142 3.960 0.001 0.000 0.237 333 G HA3 0.181 4.142 3.960 0.001 0.000 0.237 333 G C 0.307 175.230 174.900 0.039 0.000 1.312 333 G CA 0.492 45.607 45.100 0.026 0.000 0.896 333 G HN 2.076 nan 8.290 nan 0.000 0.574 334 V N 1.485 121.424 119.914 0.042 0.000 2.572 334 V HA 0.410 4.530 4.120 0.001 0.000 0.291 334 V C 1.216 177.342 176.094 0.052 0.000 1.039 334 V CA 0.603 62.932 62.300 0.049 0.000 1.055 334 V CB 0.982 32.828 31.823 0.038 0.000 0.969 334 V HN 0.929 nan 8.190 nan 0.000 0.482 335 S N 4.373 120.119 115.700 0.076 0.000 2.596 335 S HA 0.241 4.712 4.470 0.001 0.000 0.260 335 S C 0.921 175.607 174.600 0.143 0.000 1.336 335 S CA -0.560 57.691 58.200 0.086 0.000 0.993 335 S CB 0.726 63.971 63.200 0.075 0.000 0.923 335 S HN 0.529 nan 8.310 nan 0.000 0.567 336 L N 0.770 122.071 121.223 0.129 0.000 2.509 336 L HA 0.178 4.519 4.340 0.001 0.000 0.222 336 L C 1.202 178.218 176.870 0.244 0.000 1.123 336 L CA 0.558 55.509 54.840 0.184 0.000 0.856 336 L CB -0.619 41.505 42.059 0.110 0.000 0.985 336 L HN 0.701 nan 8.230 nan 0.000 0.456 337 E N 1.456 121.744 120.200 0.146 0.000 2.493 337 E HA 0.104 4.454 4.350 0.001 0.000 0.255 337 E C 0.134 176.686 176.600 -0.080 0.000 0.999 337 E CA -0.119 56.309 56.400 0.046 0.000 0.934 337 E CB 0.637 30.342 29.700 0.009 0.000 0.940 337 E HN 0.257 nan 8.360 nan 0.000 0.473 338 A N 6.189 128.846 122.820 -0.271 0.000 2.457 338 A HA 0.209 4.530 4.320 0.001 0.000 0.298 338 A C -0.494 176.790 177.584 -0.498 0.000 1.288 338 A CA -0.056 51.490 52.037 -0.818 0.000 0.956 338 A CB -0.211 18.549 19.000 -0.399 0.000 1.135 338 A HN 0.640 nan 8.150 nan 0.000 0.535 339 K N 2.684 122.712 120.400 -0.620 0.000 2.546 339 K HA 0.559 4.880 4.320 0.001 0.000 0.264 339 K C -2.936 173.317 176.600 -0.578 0.000 0.937 339 K CA -1.676 54.268 56.287 -0.572 0.000 0.833 339 K CB 2.140 34.465 32.500 -0.292 0.000 1.378 339 K HN 0.138 nan 8.250 nan 0.000 0.432 340 P HA -0.087 nan 4.420 nan 0.000 0.220 340 P C 0.229 177.462 177.300 -0.112 0.000 1.152 340 P CA 0.454 63.284 63.100 -0.449 0.000 0.812 340 P CB 0.272 31.627 31.700 -0.576 0.000 0.792 341 L N 1.318 122.452 121.223 -0.148 0.000 2.278 341 L HA 0.258 4.599 4.340 0.001 0.000 0.287 341 L C -0.336 176.519 176.870 -0.025 0.000 1.072 341 L CA -0.348 54.449 54.840 -0.073 0.000 0.819 341 L CB -0.023 41.980 42.059 -0.092 0.000 1.176 341 L HN -0.174 nan 8.230 nan 0.000 0.435 342 L N 5.898 127.119 121.223 -0.004 0.000 2.313 342 L HA 0.446 4.787 4.340 0.001 0.000 0.273 342 L C -0.151 176.688 176.870 -0.050 0.000 1.028 342 L CA -0.385 54.458 54.840 0.005 0.000 0.871 342 L CB 0.728 42.805 42.059 0.030 0.000 1.242 342 L HN 0.590 nan 8.230 nan 0.000 0.434 343 E N 4.286 124.454 120.200 -0.053 0.000 2.200 343 E HA 0.450 4.800 4.350 0.001 0.000 0.283 343 E C -0.815 175.735 176.600 -0.084 0.000 1.015 343 E CA -0.555 55.794 56.400 -0.085 0.000 0.819 343 E CB 1.965 31.626 29.700 -0.065 0.000 1.081 343 E HN 0.456 nan 8.360 nan 0.000 0.397 344 L N 2.460 123.591 121.223 -0.154 0.000 2.312 344 L HA 0.399 4.740 4.340 0.001 0.000 0.281 344 L C 0.934 177.814 176.870 0.016 0.000 1.070 344 L CA -0.593 54.178 54.840 -0.114 0.000 0.805 344 L CB 1.063 42.914 42.059 -0.346 0.000 1.174 344 L HN 0.609 nan 8.230 nan 0.000 0.434 345 G N 0.909 109.773 108.800 0.107 0.000 2.510 345 G HA2 0.181 4.142 3.960 0.001 0.000 0.280 345 G HA3 0.181 4.142 3.960 0.001 0.000 0.280 345 G C 0.377 175.401 174.900 0.206 0.000 1.386 345 G CA -0.297 44.877 45.100 0.124 0.000 1.047 345 G HN 0.633 nan 8.290 nan 0.000 0.527 346 E N -0.229 120.055 120.200 0.141 0.000 2.479 346 E HA 0.202 4.552 4.350 0.001 0.000 0.193 346 E C 1.346 177.994 176.600 0.081 0.000 1.049 346 E CA -0.134 56.339 56.400 0.120 0.000 0.870 346 E CB 0.270 30.020 29.700 0.082 0.000 0.944 346 E HN 0.469 nan 8.360 nan 0.000 0.492 347 A N 1.419 124.292 122.820 0.090 0.000 2.540 347 A HA 0.356 4.677 4.320 0.001 0.000 0.239 347 A C 0.597 178.209 177.584 0.045 0.000 1.061 347 A CA 0.322 52.395 52.037 0.060 0.000 0.758 347 A CB 0.229 19.265 19.000 0.061 0.000 0.991 347 A HN 0.174 nan 8.150 nan 0.000 0.502 348 A N 2.195 125.026 122.820 0.019 0.000 2.483 348 A HA 0.551 4.871 4.320 0.001 0.000 0.238 348 A C 1.581 179.153 177.584 -0.021 0.000 1.070 348 A CA 0.821 52.856 52.037 -0.003 0.000 0.770 348 A CB -0.714 18.287 19.000 0.002 0.000 1.008 348 A HN 2.908 nan 8.150 nan 0.000 0.497 349 G N 0.114 108.881 108.800 -0.054 0.000 2.591 349 G HA2 -0.278 3.682 3.960 0.001 0.000 0.298 349 G HA3 -0.278 3.682 3.960 0.001 0.000 0.298 349 G C 0.728 175.505 174.900 -0.205 0.000 1.195 349 G CA 0.630 45.670 45.100 -0.100 0.000 0.989 349 G HN 1.172 nan 8.290 nan 0.000 0.551 350 L N 1.986 123.113 121.223 -0.159 0.000 2.529 350 L HA 0.406 4.747 4.340 0.001 0.000 0.223 350 L C 2.285 179.137 176.870 -0.031 0.000 1.113 350 L CA 0.890 55.619 54.840 -0.185 0.000 0.861 350 L CB -0.182 41.816 42.059 -0.101 0.000 1.012 350 L HN 1.980 nan 8.230 nan 0.000 0.461 351 G N 1.424 110.217 108.800 -0.011 0.000 2.176 351 G HA2 -0.283 3.677 3.960 0.001 0.000 0.252 351 G HA3 -0.283 3.677 3.960 0.001 0.000 0.252 351 G C 0.100 174.981 174.900 -0.033 0.000 1.024 351 G CA 0.098 45.204 45.100 0.010 0.000 0.755 351 G HN 0.299 nan 8.290 nan 0.000 0.507 352 I N 0.844 121.365 120.570 -0.082 0.000 2.525 352 I HA 0.661 4.831 4.170 0.001 0.000 0.301 352 I C 0.644 176.526 176.117 -0.391 0.000 0.992 352 I CA -0.172 60.986 61.300 -0.237 0.000 1.162 352 I CB 2.031 39.847 38.000 -0.307 0.000 1.332 352 I HN 0.398 nan 8.210 nan 0.000 0.458 353 S N 2.352 117.753 115.700 -0.497 0.000 2.625 353 S HA 0.483 4.954 4.470 0.001 0.000 0.271 353 S C -0.511 173.851 174.600 -0.396 0.000 1.161 353 S CA -0.984 56.954 58.200 -0.436 0.000 0.820 353 S CB 1.015 64.145 63.200 -0.118 0.000 1.137 353 S HN 0.648 nan 8.310 nan 0.000 0.470 354 H N 0.000 119.055 119.070 -0.026 0.000 2.539 354 H HA 0.000 4.556 4.556 0.001 0.000 0.296 354 H CA 0.000 56.067 56.048 0.031 0.000 1.023 354 H CB 0.000 29.827 29.762 0.108 0.000 1.292 354 H HN 0.000 nan 8.280 nan 0.000 0.496