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 1vz7_1_D DATA FIRST_RESID 8 DATA SEQUENCE TPRGFVVHTA PVGLADDGRD DFTVLASXXP ATVSAVFTRS RFAGPSVVLC DATA SEQUENCE REAVADGQAR GVVVLARNAN VATGLEGEEN AREVREAVAR ALGLPEGEML DATA SEQUENCE IASTGVIGRQ YPMESIREHL KTLEWPAGEG GFDRAARAIM TTDTRPKEVR DATA SEQUENCE VSVGGATLVG IAKGVGMLEP DMATLLTFFA TDARLDPAEQ DRLFRRVMDR DATA SEQUENCE TFNAVSIDTD TSTSDTAVLF ANGLAGEVDA GEFEEALHTA ALALVKDIAS DATA SEQUENCE DGEGAAKLIE VQVTGARDDA QAKRVGKTVV NSPLVKTAVH GCDPNWGRVA DATA SEQUENCE MAIGKCSDDT DIDQERVTIR FGEVEVYPPX XXXXXXDDAL RAAVAEHLRG DATA SEQUENCE DEVVIGIDLA IADGAFTVYG CDLTEGYVRL NSE 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 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.632 174.700 -0.113 0.000 1.109 8 T CA 0.000 62.042 62.100 -0.096 0.000 1.349 8 T CB 0.000 68.811 68.868 -0.094 0.000 0.612 9 P HA 0.408 nan 4.420 nan 0.000 0.263 9 P C -0.388 176.984 177.300 0.121 0.000 1.247 9 P CA 0.181 63.199 63.100 -0.135 0.000 0.876 9 P CB 0.390 31.629 31.700 -0.769 0.000 0.928 10 R N 3.612 124.194 120.500 0.137 0.000 2.370 10 R HA 0.349 4.645 4.340 -0.072 0.000 0.309 10 R C 1.646 177.858 176.300 -0.146 0.000 1.059 10 R CA 1.463 57.574 56.100 0.018 0.000 0.981 10 R CB -1.031 29.276 30.300 0.012 0.000 0.972 10 R HN 0.774 nan 8.270 nan 0.000 0.437 11 G N 3.113 111.819 108.800 -0.156 0.000 2.205 11 G HA2 -0.289 3.627 3.960 -0.072 0.000 0.261 11 G HA3 -0.289 3.627 3.960 -0.072 0.000 0.261 11 G C -0.266 174.437 174.900 -0.328 0.000 0.980 11 G CA 0.209 45.142 45.100 -0.279 0.000 0.632 11 G HN 0.475 nan 8.290 nan 0.000 0.533 12 F N 1.233 121.205 119.950 0.037 0.000 2.385 12 F HA 0.596 5.079 4.527 -0.072 0.000 0.360 12 F C 0.773 176.652 175.800 0.131 0.000 1.122 12 F CA -0.839 57.228 58.000 0.112 0.000 1.090 12 F CB 1.650 40.787 39.000 0.229 0.000 1.150 12 F HN 0.282 nan 8.300 nan 0.000 0.472 13 V N 1.573 121.666 119.914 0.299 0.000 2.881 13 V HA 0.889 4.965 4.120 -0.072 0.000 0.316 13 V C -0.705 175.519 176.094 0.217 0.000 1.070 13 V CA -0.963 61.463 62.300 0.210 0.000 0.976 13 V CB 1.805 33.694 31.823 0.110 0.000 1.038 13 V HN 0.384 nan 8.190 nan 0.000 0.446 14 V N 2.511 122.537 119.914 0.186 0.000 2.638 14 V HA 0.559 4.635 4.120 -0.072 0.000 0.306 14 V C -0.814 175.371 176.094 0.152 0.000 1.052 14 V CA -0.332 62.051 62.300 0.139 0.000 0.885 14 V CB 1.602 33.510 31.823 0.142 0.000 0.999 14 V HN 1.248 nan 8.190 nan 0.000 0.424 15 H N 2.453 121.544 119.070 0.035 0.000 2.731 15 H HA 0.881 5.393 4.556 -0.072 0.000 0.368 15 H C -0.560 174.809 175.328 0.068 0.000 1.168 15 H CA -0.045 56.041 56.048 0.063 0.000 1.181 15 H CB 2.376 32.188 29.762 0.083 0.000 1.743 15 H HN 0.742 nan 8.280 nan 0.000 0.547 16 T N 1.557 115.590 114.554 -0.868 0.000 3.798 16 T HA 0.703 5.010 4.350 -0.072 0.000 0.339 16 T C -1.213 173.201 174.700 -0.477 0.000 0.967 16 T CA -0.416 61.352 62.100 -0.553 0.000 1.046 16 T CB 0.307 69.056 68.868 -0.198 0.000 1.092 16 T HN 0.854 nan 8.240 nan 0.000 0.465 17 A N 4.100 126.747 122.820 -0.289 0.000 2.414 17 A HA 0.972 5.248 4.320 -0.072 0.000 0.306 17 A C -3.003 174.518 177.584 -0.104 0.000 1.054 17 A CA -2.101 49.847 52.037 -0.149 0.000 0.724 17 A CB 1.799 20.713 19.000 -0.144 0.000 1.267 17 A HN 0.595 nan 8.150 nan 0.000 0.418 18 P HA 0.210 nan 4.420 nan 0.000 0.262 18 P C 0.642 177.861 177.300 -0.136 0.000 1.620 18 P CA -0.062 62.987 63.100 -0.086 0.000 1.089 18 P CB 0.910 32.572 31.700 -0.064 0.000 1.601 19 V N 2.635 122.488 119.914 -0.102 0.000 2.594 19 V HA -0.067 4.010 4.120 -0.072 0.000 0.253 19 V C 1.950 178.017 176.094 -0.046 0.000 1.069 19 V CA 2.208 64.433 62.300 -0.125 0.000 1.082 19 V CB -1.581 30.210 31.823 -0.054 0.000 0.680 19 V HN 0.822 nan 8.190 nan 0.000 0.469 20 G N -0.576 108.222 108.800 -0.003 0.000 2.134 20 G HA2 -0.233 3.684 3.960 -0.072 0.000 0.209 20 G HA3 -0.233 3.684 3.960 -0.072 0.000 0.209 20 G C 0.496 175.420 174.900 0.041 0.000 0.993 20 G CA 0.237 45.342 45.100 0.009 0.000 0.669 20 G HN 0.427 nan 8.290 nan 0.000 0.519 21 L N -0.031 121.238 121.223 0.076 0.000 2.740 21 L HA 0.349 4.645 4.340 -0.072 0.000 0.242 21 L C 1.319 178.229 176.870 0.067 0.000 1.175 21 L CA 1.177 56.081 54.840 0.106 0.000 0.859 21 L CB -0.313 41.847 42.059 0.169 0.000 0.992 21 L HN 0.933 nan 8.230 nan 0.000 0.454 22 A N -1.636 121.211 122.820 0.045 0.000 2.572 22 A HA 0.402 4.679 4.320 -0.072 0.000 0.303 22 A C -0.444 177.151 177.584 0.018 0.000 1.059 22 A CA -0.311 51.743 52.037 0.028 0.000 0.788 22 A CB 0.041 19.057 19.000 0.026 0.000 1.282 22 A HN 0.091 nan 8.150 nan 0.000 0.397 23 D N 1.544 121.952 120.400 0.012 0.000 2.479 23 D HA 0.385 4.982 4.640 -0.072 0.000 0.257 23 D C 0.459 176.762 176.300 0.005 0.000 1.230 23 D CA 1.181 55.185 54.000 0.007 0.000 0.912 23 D CB -0.171 40.632 40.800 0.005 0.000 1.130 23 D HN 1.247 nan 8.370 nan 0.000 0.515 24 D N -1.806 118.596 120.400 0.003 0.000 1.779 24 D HA 0.138 4.735 4.640 -0.072 0.000 0.814 24 D C 1.300 177.599 176.300 -0.002 0.000 0.417 24 D CA 0.811 54.811 54.000 0.001 0.000 1.336 24 D CB -0.862 39.940 40.800 0.004 0.000 1.059 24 D HN 1.590 nan 8.370 nan 0.000 0.370 25 G N 1.200 109.997 108.800 -0.005 0.000 2.353 25 G HA2 -0.194 3.723 3.960 -0.072 0.000 0.294 25 G HA3 -0.194 3.723 3.960 -0.072 0.000 0.294 25 G C -0.172 174.721 174.900 -0.013 0.000 1.077 25 G CA 0.439 45.531 45.100 -0.013 0.000 1.098 25 G HN 0.495 nan 8.290 nan 0.000 0.511 26 R N -0.037 120.458 120.500 -0.008 0.000 2.795 26 R HA 0.383 4.679 4.340 -0.072 0.000 0.275 26 R C -1.084 175.213 176.300 -0.005 0.000 0.981 26 R CA -0.922 55.174 56.100 -0.007 0.000 0.917 26 R CB 1.043 31.344 30.300 0.001 0.000 1.202 26 R HN 0.053 nan 8.270 nan 0.000 0.469 27 D N 2.667 123.061 120.400 -0.011 0.000 2.422 27 D HA -0.006 4.591 4.640 -0.072 0.000 0.263 27 D C 0.658 176.968 176.300 0.016 0.000 1.334 27 D CA 0.485 54.478 54.000 -0.012 0.000 1.105 27 D CB 0.444 41.221 40.800 -0.039 0.000 1.107 27 D HN 0.471 nan 8.370 nan 0.000 0.522 28 D N 0.554 120.987 120.400 0.055 0.000 2.262 28 D HA -0.079 4.518 4.640 -0.072 0.000 0.212 28 D C 0.655 177.020 176.300 0.109 0.000 0.964 28 D CA -0.157 53.889 54.000 0.076 0.000 0.875 28 D CB -0.181 40.676 40.800 0.095 0.000 0.996 28 D HN 0.235 nan 8.370 nan 0.000 0.497 29 F N 1.114 121.055 119.950 -0.014 0.000 2.406 29 F HA 0.463 4.947 4.527 -0.072 0.000 0.327 29 F C -0.162 175.614 175.800 -0.040 0.000 1.153 29 F CA 0.471 58.474 58.000 0.004 0.000 1.218 29 F CB 1.134 40.144 39.000 0.016 0.000 1.215 29 F HN -0.109 nan 8.300 nan 0.000 0.570 30 T N 2.276 116.549 114.554 -0.467 0.000 2.827 30 T HA 0.574 4.881 4.350 -0.072 0.000 0.328 30 T C -1.688 172.827 174.700 -0.309 0.000 1.598 30 T CA -0.763 61.184 62.100 -0.255 0.000 1.043 30 T CB 1.535 70.277 68.868 -0.211 0.000 1.447 30 T HN 0.443 nan 8.240 nan 0.000 0.491 31 V N 1.827 121.698 119.914 -0.071 0.000 2.852 31 V HA 0.681 4.757 4.120 -0.072 0.000 0.300 31 V C -1.284 174.780 176.094 -0.049 0.000 1.205 31 V CA -0.770 61.494 62.300 -0.060 0.000 0.940 31 V CB 2.065 33.940 31.823 0.087 0.000 1.047 31 V HN 0.848 nan 8.190 nan 0.000 0.429 32 L N 3.377 124.511 121.223 -0.149 0.000 2.303 32 L HA 1.105 5.402 4.340 -0.072 0.000 0.266 32 L C -0.171 176.614 176.870 -0.141 0.000 1.011 32 L CA -0.006 54.748 54.840 -0.143 0.000 0.818 32 L CB 2.081 43.975 42.059 -0.274 0.000 1.326 32 L HN 1.103 nan 8.230 nan 0.000 0.435 33 A N 1.347 124.127 122.820 -0.068 0.000 2.581 33 A HA 0.570 4.847 4.320 -0.072 0.000 0.294 33 A C -1.186 176.396 177.584 -0.004 0.000 1.035 33 A CA -0.105 51.871 52.037 -0.100 0.000 0.684 33 A CB 0.836 19.786 19.000 -0.083 0.000 1.282 33 A HN 0.708 nan 8.150 nan 0.000 0.417 38 A N -0.940 121.937 122.820 0.095 0.000 2.599 38 A HA 0.680 4.956 4.320 -0.072 0.000 0.290 38 A C -1.433 176.251 177.584 0.165 0.000 1.101 38 A CA -0.316 51.817 52.037 0.160 0.000 0.674 38 A CB 1.023 20.205 19.000 0.304 0.000 1.277 38 A HN 0.258 nan 8.150 nan 0.000 0.419 39 T N 0.935 115.563 114.554 0.123 0.000 2.733 39 T HA 0.491 4.797 4.350 -0.072 0.000 0.294 39 T C -0.137 174.560 174.700 -0.005 0.000 0.956 39 T CA -0.245 61.882 62.100 0.045 0.000 0.987 39 T CB 0.979 69.842 68.868 -0.008 0.000 0.920 39 T HN 0.888 nan 8.240 nan 0.000 0.470 40 V N 3.019 122.893 119.914 -0.068 0.000 2.837 40 V HA 0.750 4.826 4.120 -0.072 0.000 0.310 40 V C -0.392 175.504 176.094 -0.330 0.000 1.059 40 V CA -0.253 61.882 62.300 -0.275 0.000 1.004 40 V CB 2.026 33.656 31.823 -0.321 0.000 1.045 40 V HN 0.982 nan 8.190 nan 0.000 0.465 41 S N 3.127 118.482 115.700 -0.575 0.000 2.649 41 S HA 0.835 5.261 4.470 -0.072 0.000 0.274 41 S C -0.821 173.161 174.600 -1.031 0.000 1.176 41 S CA -0.025 57.733 58.200 -0.736 0.000 0.988 41 S CB 1.503 64.126 63.200 -0.963 0.000 1.071 41 S HN 1.284 nan 8.310 nan 0.000 0.478 42 A N 2.096 124.593 122.820 -0.540 0.000 2.539 42 A HA 0.953 5.230 4.320 -0.072 0.000 0.296 42 A C -0.936 176.390 177.584 -0.431 0.000 1.073 42 A CA -0.940 50.813 52.037 -0.473 0.000 0.700 42 A CB 1.427 20.162 19.000 -0.441 0.000 1.296 42 A HN 1.395 nan 8.150 nan 0.000 0.405 43 V N -1.277 118.268 119.914 -0.615 0.000 2.760 43 V HA 0.926 5.003 4.120 -0.072 0.000 0.309 43 V C -1.143 174.441 176.094 -0.851 0.000 1.077 43 V CA -0.866 61.103 62.300 -0.551 0.000 0.910 43 V CB 0.957 32.670 31.823 -0.183 0.000 1.008 43 V HN 0.742 nan 8.190 nan 0.000 0.424 44 F N 0.765 120.734 119.950 0.031 0.000 2.598 44 F HA 0.785 5.269 4.527 -0.072 0.000 0.327 44 F C 1.001 176.810 175.800 0.015 0.000 1.057 44 F CA -0.649 57.361 58.000 0.017 0.000 0.957 44 F CB 1.886 40.900 39.000 0.022 0.000 1.278 44 F HN 0.787 nan 8.300 nan 0.000 0.484 45 T N -0.011 114.663 114.554 0.200 0.000 2.663 45 T HA 0.173 4.480 4.350 -0.072 0.000 0.325 45 T C 0.709 175.488 174.700 0.130 0.000 1.059 45 T CA 0.084 62.257 62.100 0.121 0.000 1.039 45 T CB 0.423 69.353 68.868 0.103 0.000 0.996 45 T HN 0.723 nan 8.240 nan 0.000 0.539 46 R N 0.544 121.098 120.500 0.091 0.000 2.600 46 R HA 0.201 4.497 4.340 -0.072 0.000 0.392 46 R C 0.323 176.665 176.300 0.069 0.000 1.032 46 R CA -0.239 55.908 56.100 0.079 0.000 1.139 46 R CB 0.428 30.766 30.300 0.063 0.000 1.400 46 R HN 0.709 nan 8.270 nan 0.000 0.566 47 S N 1.036 116.783 115.700 0.079 0.000 2.573 47 S HA 0.003 4.429 4.470 -0.072 0.000 0.297 47 S C 1.115 175.776 174.600 0.102 0.000 1.280 47 S CA -0.257 58.000 58.200 0.095 0.000 1.061 47 S CB 0.984 64.250 63.200 0.110 0.000 0.812 47 S HN 0.272 nan 8.310 nan 0.000 0.500 48 R N 0.683 121.257 120.500 0.124 0.000 2.285 48 R HA 0.017 4.314 4.340 -0.072 0.000 0.213 48 R C 0.124 176.464 176.300 0.067 0.000 1.068 48 R CA 0.951 57.108 56.100 0.094 0.000 1.004 48 R CB -0.311 30.059 30.300 0.117 0.000 0.873 48 R HN 0.704 nan 8.270 nan 0.000 0.467 49 F N 0.232 120.187 119.950 0.009 0.000 2.654 49 F HA 0.327 4.811 4.527 -0.073 0.000 0.303 49 F C 0.872 176.676 175.800 0.006 0.000 1.099 49 F CA -0.718 57.286 58.000 0.006 0.000 1.270 49 F CB 0.272 39.275 39.000 0.005 0.000 1.024 49 F HN -0.133 nan 8.300 nan 0.000 0.548 50 A N 0.676 123.567 122.820 0.119 0.000 2.586 50 A HA 0.377 4.654 4.320 -0.072 0.000 0.231 50 A C 0.997 178.607 177.584 0.043 0.000 1.055 50 A CA 0.767 52.851 52.037 0.077 0.000 0.756 50 A CB -0.396 18.633 19.000 0.048 0.000 0.988 50 A HN 0.390 nan 8.150 nan 0.000 0.509 51 G N 0.524 109.349 108.800 0.043 0.000 2.491 51 G HA2 0.550 4.466 3.960 -0.072 0.000 0.327 51 G HA3 0.550 4.466 3.960 -0.072 0.000 0.327 51 G C -1.160 173.743 174.900 0.005 0.000 1.189 51 G CA -0.767 44.349 45.100 0.026 0.000 0.956 51 G HN 0.484 nan 8.290 nan 0.000 0.491 52 P HA -0.245 nan 4.420 nan 0.000 0.216 52 P C 2.156 179.457 177.300 0.002 0.000 1.157 52 P CA 2.412 65.513 63.100 0.002 0.000 0.880 52 P CB -0.071 31.643 31.700 0.023 0.000 0.791 53 S N -0.072 115.649 115.700 0.035 0.000 2.378 53 S HA -0.183 4.243 4.470 -0.072 0.000 0.229 53 S C 2.165 176.756 174.600 -0.014 0.000 1.052 53 S CA 2.105 60.332 58.200 0.045 0.000 1.084 53 S CB -1.943 61.311 63.200 0.089 0.000 0.950 53 S HN 0.029 nan 8.310 nan 0.000 0.440 54 V N 1.837 121.727 119.914 -0.039 0.000 2.307 54 V HA -0.138 3.939 4.120 -0.072 0.000 0.245 54 V C 2.704 178.637 176.094 -0.269 0.000 1.045 54 V CA 1.602 63.810 62.300 -0.153 0.000 1.024 54 V CB -0.927 30.849 31.823 -0.079 0.000 0.651 54 V HN 0.478 nan 8.190 nan 0.000 0.449 55 V N 0.219 120.041 119.914 -0.153 0.000 2.277 55 V HA -0.341 3.736 4.120 -0.072 0.000 0.253 55 V C 2.272 178.273 176.094 -0.156 0.000 1.067 55 V CA 2.491 64.706 62.300 -0.141 0.000 1.047 55 V CB -0.674 31.104 31.823 -0.075 0.000 0.649 55 V HN 0.483 nan 8.190 nan 0.000 0.447 56 L N -1.241 119.912 121.223 -0.116 0.000 2.156 56 L HA -0.129 4.168 4.340 -0.072 0.000 0.208 56 L C 2.586 179.381 176.870 -0.125 0.000 1.095 56 L CA 1.066 55.855 54.840 -0.086 0.000 0.770 56 L CB -0.826 41.212 42.059 -0.034 0.000 0.914 56 L HN 0.359 nan 8.230 nan 0.000 0.439 57 C N 0.023 119.198 119.300 -0.209 0.000 2.411 57 C HA -0.128 4.289 4.460 -0.072 0.000 0.279 57 C C 2.956 177.715 174.990 -0.384 0.000 1.288 57 C CA 0.668 59.532 59.018 -0.257 0.000 1.764 57 C CB -1.065 26.462 27.740 -0.355 0.000 1.974 57 C HN 0.439 nan 8.230 nan 0.000 0.498 58 R N 0.983 121.156 120.500 -0.546 0.000 2.057 58 R HA -0.067 4.230 4.340 -0.072 0.000 0.229 58 R C 1.671 177.927 176.300 -0.074 0.000 1.136 58 R CA 0.971 56.887 56.100 -0.306 0.000 0.952 58 R CB -0.488 29.663 30.300 -0.249 0.000 0.848 58 R HN 0.659 nan 8.270 nan 0.000 0.430 59 E N 0.555 120.705 120.200 -0.083 0.000 2.495 59 E HA -0.069 4.238 4.350 -0.072 0.000 0.204 59 E C 0.808 177.406 176.600 -0.002 0.000 1.163 59 E CA 0.313 56.696 56.400 -0.029 0.000 0.922 59 E CB 0.145 29.826 29.700 -0.033 0.000 0.918 59 E HN 0.342 nan 8.360 nan 0.000 0.537 60 A N 0.622 123.450 122.820 0.013 0.000 2.083 60 A HA 0.024 4.301 4.320 -0.072 0.000 0.209 60 A C 1.944 179.571 177.584 0.072 0.000 1.969 60 A CA 0.220 52.287 52.037 0.050 0.000 0.933 60 A CB -0.420 18.622 19.000 0.068 0.000 1.304 60 A HN 0.193 nan 8.150 nan 0.000 0.621 61 V N -0.970 119.008 119.914 0.106 0.000 3.504 61 V HA 0.197 4.274 4.120 -0.072 0.000 0.273 61 V C 1.913 178.047 176.094 0.068 0.000 1.228 61 V CA 1.191 63.542 62.300 0.085 0.000 1.189 61 V CB -1.645 30.235 31.823 0.096 0.000 0.881 61 V HN 0.585 nan 8.190 nan 0.000 0.529 62 A N 2.114 124.973 122.820 0.065 0.000 1.978 62 A HA -0.213 4.063 4.320 -0.072 0.000 0.220 62 A C 1.902 179.507 177.584 0.035 0.000 1.170 62 A CA 1.939 54.006 52.037 0.050 0.000 0.636 62 A CB -0.569 18.453 19.000 0.037 0.000 0.810 62 A HN 0.818 nan 8.150 nan 0.000 0.448 63 D N -2.986 117.434 120.400 0.033 0.000 2.349 63 D HA 0.286 4.883 4.640 -0.072 0.000 0.214 63 D C 1.180 177.492 176.300 0.020 0.000 1.063 63 D CA 0.859 54.874 54.000 0.025 0.000 0.847 63 D CB -0.583 40.234 40.800 0.027 0.000 0.933 63 D HN 0.754 nan 8.370 nan 0.000 0.513 64 G N -0.034 108.775 108.800 0.016 0.000 2.168 64 G HA2 -0.324 3.592 3.960 -0.072 0.000 0.263 64 G HA3 -0.324 3.592 3.960 -0.072 0.000 0.263 64 G C 0.063 174.976 174.900 0.022 0.000 0.977 64 G CA 0.503 45.602 45.100 -0.002 0.000 0.659 64 G HN 0.636 nan 8.290 nan 0.000 0.533 65 Q N -0.077 119.752 119.800 0.048 0.000 2.340 65 Q HA 0.810 5.107 4.340 -0.072 0.000 0.268 65 Q C -0.255 175.815 176.000 0.118 0.000 1.031 65 Q CA 0.449 56.296 55.803 0.074 0.000 0.804 65 Q CB 1.861 30.629 28.738 0.051 0.000 1.286 65 Q HN 1.663 nan 8.270 nan 0.000 0.448 66 A N 2.098 125.029 122.820 0.185 0.000 2.586 66 A HA 0.752 5.028 4.320 -0.072 0.000 0.296 66 A C -1.077 176.666 177.584 0.265 0.000 1.040 66 A CA 0.003 52.189 52.037 0.249 0.000 0.701 66 A CB 0.703 19.916 19.000 0.354 0.000 1.277 66 A HN 0.762 nan 8.150 nan 0.000 0.413 67 R N 0.326 120.872 120.500 0.076 0.000 2.637 67 R HA 0.662 4.958 4.340 -0.072 0.000 0.446 67 R C 0.558 176.715 176.300 -0.239 0.000 1.024 67 R CA 0.975 57.003 56.100 -0.119 0.000 1.080 67 R CB 0.479 30.741 30.300 -0.064 0.000 1.421 67 R HN 2.649 nan 8.270 nan 0.000 0.593 68 G N -0.913 107.731 108.800 -0.261 0.000 2.579 68 G HA2 0.573 4.489 3.960 -0.072 0.000 0.292 68 G HA3 0.573 4.489 3.960 -0.072 0.000 0.292 68 G C -1.835 173.017 174.900 -0.079 0.000 1.484 68 G CA 0.201 45.177 45.100 -0.206 0.000 0.813 68 G HN 1.155 nan 8.290 nan 0.000 0.515 69 V N 0.123 119.972 119.914 -0.108 0.000 2.852 69 V HA 0.724 4.800 4.120 -0.072 0.000 0.300 69 V C -1.373 174.625 176.094 -0.160 0.000 1.205 69 V CA -0.643 61.614 62.300 -0.071 0.000 0.940 69 V CB 1.643 33.415 31.823 -0.086 0.000 1.047 69 V HN 1.575 nan 8.190 nan 0.000 0.429 70 V N 7.611 127.449 119.914 -0.127 0.000 2.417 70 V HA 0.836 4.912 4.120 -0.072 0.000 0.291 70 V C -0.979 174.977 176.094 -0.231 0.000 1.024 70 V CA 0.022 62.182 62.300 -0.232 0.000 0.861 70 V CB 1.750 33.474 31.823 -0.165 0.000 0.985 70 V HN 0.844 nan 8.190 nan 0.000 0.436 71 V N 7.651 127.354 119.914 -0.350 0.000 2.531 71 V HA 0.580 4.656 4.120 -0.072 0.000 0.301 71 V C -0.916 175.045 176.094 -0.221 0.000 1.034 71 V CA -0.582 61.605 62.300 -0.187 0.000 0.865 71 V CB 1.632 33.387 31.823 -0.113 0.000 0.995 71 V HN 0.774 nan 8.190 nan 0.000 0.424 72 L N 4.428 125.634 121.223 -0.028 0.000 2.372 72 L HA 0.862 5.158 4.340 -0.072 0.000 0.274 72 L C 0.366 177.305 176.870 0.115 0.000 0.988 72 L CA -0.166 54.728 54.840 0.090 0.000 0.833 72 L CB 1.463 43.697 42.059 0.292 0.000 1.236 72 L HN 0.717 nan 8.230 nan 0.000 0.410 73 A N 1.925 124.801 122.820 0.093 0.000 2.240 73 A HA 0.843 5.119 4.320 -0.072 0.000 0.292 73 A C 1.009 178.633 177.584 0.066 0.000 1.121 73 A CA -0.088 51.991 52.037 0.070 0.000 0.851 73 A CB 0.369 19.400 19.000 0.053 0.000 1.167 73 A HN 0.782 nan 8.150 nan 0.000 0.503 74 R N -1.471 119.051 120.500 0.038 0.000 4.037 74 R HA -0.158 4.139 4.340 -0.072 0.000 0.418 74 R C -0.038 176.263 176.300 0.001 0.000 0.701 74 R CA 2.061 58.174 56.100 0.022 0.000 1.660 74 R CB -1.398 28.922 30.300 0.033 0.000 2.238 74 R HN 0.715 nan 8.270 nan 0.000 0.429 75 N N -0.431 118.266 118.700 -0.006 0.000 2.573 75 N HA 0.505 5.202 4.740 -0.072 0.000 0.262 75 N C 0.321 175.756 175.510 -0.124 0.000 1.029 75 N CA 0.640 53.634 53.050 -0.093 0.000 0.882 75 N CB 1.473 39.856 38.487 -0.173 0.000 1.204 75 N HN 0.275 nan 8.380 nan 0.000 0.519 76 A N 3.272 126.042 122.820 -0.085 0.000 2.121 76 A HA -0.122 4.155 4.320 -0.072 0.000 0.218 76 A C 0.888 178.408 177.584 -0.108 0.000 1.154 76 A CA 0.699 52.704 52.037 -0.053 0.000 0.679 76 A CB -0.557 18.432 19.000 -0.017 0.000 0.795 76 A HN 0.843 nan 8.150 nan 0.000 0.458 77 N N -1.342 117.226 118.700 -0.221 0.000 2.614 77 N HA -0.138 4.559 4.740 -0.072 0.000 0.276 77 N C -0.911 174.544 175.510 -0.093 0.000 1.119 77 N CA 0.916 53.798 53.050 -0.279 0.000 0.742 77 N CB -1.515 36.655 38.487 -0.529 0.000 0.900 77 N HN 0.281 nan 8.380 nan 0.000 0.549 78 V N 1.067 120.955 119.914 -0.044 0.000 3.040 78 V HA 0.861 4.937 4.120 -0.072 0.000 0.312 78 V C 1.200 177.326 176.094 0.052 0.000 1.115 78 V CA -0.482 61.832 62.300 0.024 0.000 0.998 78 V CB 1.457 33.311 31.823 0.053 0.000 1.042 78 V HN 0.994 nan 8.190 nan 0.000 0.433 79 A N 1.763 124.642 122.820 0.098 0.000 2.798 79 A HA -0.197 4.080 4.320 -0.072 0.000 0.282 79 A C 0.918 178.542 177.584 0.067 0.000 1.464 79 A CA 1.409 53.523 52.037 0.127 0.000 0.844 79 A CB -2.183 16.949 19.000 0.219 0.000 1.006 79 A HN 1.609 nan 8.150 nan 0.000 0.577 80 T N -1.794 112.782 114.554 0.036 0.000 3.327 80 T HA 0.511 4.817 4.350 -0.072 0.000 0.241 80 T C 1.676 176.393 174.700 0.028 0.000 0.907 80 T CA 0.799 62.913 62.100 0.023 0.000 0.931 80 T CB -0.462 68.409 68.868 0.005 0.000 1.112 80 T HN 2.297 nan 8.240 nan 0.000 0.589 81 G N 0.963 109.780 108.800 0.028 0.000 2.546 81 G HA2 -0.180 3.736 3.960 -0.072 0.000 0.346 81 G HA3 -0.180 3.736 3.960 -0.072 0.000 0.346 81 G C 1.300 176.211 174.900 0.019 0.000 1.334 81 G CA 0.767 45.878 45.100 0.019 0.000 0.925 81 G HN 1.205 nan 8.290 nan 0.000 0.537 82 L N -1.880 119.352 121.223 0.016 0.000 2.027 82 L HA 0.111 4.408 4.340 -0.072 0.000 0.206 82 L C 2.817 179.706 176.870 0.031 0.000 1.074 82 L CA 2.955 57.806 54.840 0.018 0.000 0.745 82 L CB -1.587 40.480 42.059 0.013 0.000 0.898 82 L HN 0.918 nan 8.230 nan 0.000 0.433 83 E N 0.464 120.685 120.200 0.034 0.000 2.094 83 E HA -0.303 4.003 4.350 -0.072 0.000 0.232 83 E C 2.324 178.965 176.600 0.068 0.000 1.055 83 E CA 2.196 58.624 56.400 0.046 0.000 0.923 83 E CB -0.879 28.847 29.700 0.045 0.000 0.815 83 E HN 0.614 nan 8.360 nan 0.000 0.502 84 G N 0.805 109.650 108.800 0.075 0.000 2.470 84 G HA2 -0.248 3.669 3.960 -0.072 0.000 0.220 84 G HA3 -0.248 3.669 3.960 -0.072 0.000 0.220 84 G C 1.510 176.476 174.900 0.110 0.000 1.121 84 G CA 0.674 45.842 45.100 0.114 0.000 0.766 84 G HN 0.280 nan 8.290 nan 0.000 0.553 85 E N 0.737 120.977 120.200 0.067 0.000 2.106 85 E HA -0.090 4.216 4.350 -0.072 0.000 0.192 85 E C 2.342 178.974 176.600 0.054 0.000 0.984 85 E CA 0.863 57.293 56.400 0.051 0.000 0.806 85 E CB 0.027 29.742 29.700 0.025 0.000 0.750 85 E HN 0.659 nan 8.360 nan 0.000 0.458 86 E N -0.139 120.094 120.200 0.054 0.000 2.028 86 E HA -0.146 4.161 4.350 -0.072 0.000 0.190 86 E C 2.148 178.782 176.600 0.056 0.000 0.984 86 E CA 1.056 57.482 56.400 0.044 0.000 0.800 86 E CB -0.649 29.073 29.700 0.036 0.000 0.758 86 E HN 0.344 nan 8.360 nan 0.000 0.448 87 N N 1.475 120.225 118.700 0.082 0.000 2.417 87 N HA -0.157 4.540 4.740 -0.072 0.000 0.187 87 N C 1.903 177.464 175.510 0.085 0.000 1.027 87 N CA 1.416 54.517 53.050 0.085 0.000 0.891 87 N CB -0.747 37.842 38.487 0.169 0.000 0.956 87 N HN 0.274 nan 8.380 nan 0.000 0.442 88 A N 0.463 123.354 122.820 0.117 0.000 1.834 88 A HA 0.040 4.317 4.320 -0.072 0.000 0.216 88 A C 2.718 180.338 177.584 0.060 0.000 1.203 88 A CA 3.229 55.335 52.037 0.116 0.000 0.621 88 A CB -1.163 17.892 19.000 0.092 0.000 0.841 88 A HN 0.879 nan 8.150 nan 0.000 0.446 89 R N -0.332 120.191 120.500 0.039 0.000 2.090 89 R HA -0.003 4.294 4.340 -0.072 0.000 0.228 89 R C 1.934 178.242 176.300 0.015 0.000 1.110 89 R CA 1.765 57.879 56.100 0.024 0.000 0.973 89 R CB -1.418 28.893 30.300 0.017 0.000 0.869 89 R HN 0.781 nan 8.270 nan 0.000 0.440 90 E N 0.214 120.420 120.200 0.011 0.000 2.448 90 E HA -0.123 4.184 4.350 -0.072 0.000 0.203 90 E C 1.158 177.749 176.600 -0.015 0.000 1.046 90 E CA 1.290 57.689 56.400 -0.002 0.000 0.871 90 E CB -0.059 29.640 29.700 -0.001 0.000 0.790 90 E HN 0.463 nan 8.360 nan 0.000 0.545 91 V N -0.556 119.350 119.914 -0.015 0.000 2.908 91 V HA 0.024 4.100 4.120 -0.072 0.000 0.240 91 V C 2.223 178.337 176.094 0.033 0.000 1.117 91 V CA 0.669 62.962 62.300 -0.011 0.000 1.133 91 V CB -0.065 31.718 31.823 -0.068 0.000 0.857 91 V HN 0.121 nan 8.190 nan 0.000 0.478 92 R N 0.751 121.269 120.500 0.030 0.000 2.127 92 R HA -0.035 4.262 4.340 -0.072 0.000 0.217 92 R C 2.118 178.432 176.300 0.024 0.000 1.074 92 R CA 1.394 57.515 56.100 0.034 0.000 0.991 92 R CB 0.068 30.388 30.300 0.034 0.000 0.895 92 R HN 0.590 nan 8.270 nan 0.000 0.450 93 E N 0.132 120.342 120.200 0.016 0.000 2.347 93 E HA 0.025 4.332 4.350 -0.072 0.000 0.196 93 E C 1.505 178.107 176.600 0.003 0.000 1.008 93 E CA 0.945 57.350 56.400 0.009 0.000 0.852 93 E CB -0.182 29.522 29.700 0.007 0.000 0.783 93 E HN 0.586 nan 8.360 nan 0.000 0.505 94 A N 0.101 122.923 122.820 0.003 0.000 1.844 94 A HA 0.175 4.451 4.320 -0.072 0.000 0.212 94 A C 2.553 180.134 177.584 -0.006 0.000 1.221 94 A CA 1.238 53.271 52.037 -0.007 0.000 0.607 94 A CB -0.711 18.281 19.000 -0.013 0.000 0.878 94 A HN 0.788 nan 8.150 nan 0.000 0.451 95 V N 0.418 120.341 119.914 0.015 0.000 2.660 95 V HA -0.238 3.839 4.120 -0.072 0.000 0.257 95 V C 2.550 178.644 176.094 0.001 0.000 1.088 95 V CA 2.173 64.486 62.300 0.022 0.000 1.106 95 V CB -0.933 30.940 31.823 0.083 0.000 0.686 95 V HN 0.607 nan 8.190 nan 0.000 0.481 96 A N 0.676 123.497 122.820 0.002 0.000 1.851 96 A HA -0.105 4.171 4.320 -0.072 0.000 0.216 96 A C 2.033 179.608 177.584 -0.015 0.000 1.195 96 A CA 1.903 53.938 52.037 -0.004 0.000 0.622 96 A CB -0.866 18.135 19.000 0.002 0.000 0.831 96 A HN 0.862 nan 8.150 nan 0.000 0.444 97 R N -0.370 120.119 120.500 -0.017 0.000 3.206 97 R HA 0.540 4.837 4.340 -0.072 0.000 0.209 97 R C 0.551 176.830 176.300 -0.036 0.000 1.632 97 R CA 1.133 57.218 56.100 -0.024 0.000 1.234 97 R CB -1.586 28.701 30.300 -0.023 0.000 1.270 97 R HN 1.506 nan 8.270 nan 0.000 0.665 98 A N 0.153 122.949 122.820 -0.039 0.000 2.461 98 A HA 0.225 4.502 4.320 -0.072 0.000 0.149 98 A C 1.095 178.648 177.584 -0.053 0.000 1.814 98 A CA 0.224 52.228 52.037 -0.055 0.000 1.337 98 A CB 0.330 19.288 19.000 -0.069 0.000 1.556 98 A HN 0.448 nan 8.150 nan 0.000 0.392 99 L N -0.463 120.734 121.223 -0.043 0.000 2.808 99 L HA 0.411 4.707 4.340 -0.072 0.000 0.246 99 L C 1.588 178.438 176.870 -0.035 0.000 1.153 99 L CA 0.693 55.508 54.840 -0.042 0.000 0.956 99 L CB 0.854 42.887 42.059 -0.043 0.000 1.270 99 L HN 0.715 nan 8.230 nan 0.000 0.528 100 G N 0.705 109.486 108.800 -0.031 0.000 2.179 100 G HA2 -0.287 3.629 3.960 -0.072 0.000 0.260 100 G HA3 -0.287 3.629 3.960 -0.072 0.000 0.260 100 G C 0.226 175.113 174.900 -0.021 0.000 0.977 100 G CA 0.038 45.123 45.100 -0.025 0.000 0.641 100 G HN 0.211 nan 8.290 nan 0.000 0.533 101 L N 2.458 123.668 121.223 -0.022 0.000 2.418 101 L HA 0.439 4.736 4.340 -0.072 0.000 0.265 101 L C -0.191 176.673 176.870 -0.009 0.000 1.143 101 L CA -1.933 52.898 54.840 -0.016 0.000 0.809 101 L CB 0.471 42.518 42.059 -0.021 0.000 1.124 101 L HN 0.035 nan 8.230 nan 0.000 0.456 102 P HA -0.082 nan 4.420 nan 0.000 0.313 102 P C 0.128 177.431 177.300 0.006 0.000 1.332 102 P CA 0.083 63.184 63.100 0.003 0.000 0.777 102 P CB 0.658 32.362 31.700 0.008 0.000 1.599 103 E N -1.212 118.994 120.200 0.011 0.000 2.206 103 E HA 0.028 4.334 4.350 -0.072 0.000 0.195 103 E C 2.098 178.713 176.600 0.025 0.000 0.935 103 E CA 0.607 57.015 56.400 0.014 0.000 0.875 103 E CB -0.643 29.063 29.700 0.011 0.000 0.841 103 E HN 0.512 nan 8.360 nan 0.000 0.477 104 G N 1.094 109.911 108.800 0.028 0.000 2.394 104 G HA2 -0.215 3.702 3.960 -0.072 0.000 0.215 104 G HA3 -0.215 3.702 3.960 -0.072 0.000 0.215 104 G C 1.067 176.003 174.900 0.060 0.000 1.165 104 G CA 0.354 45.477 45.100 0.038 0.000 0.784 104 G HN 0.246 nan 8.290 nan 0.000 0.535 105 E N -0.487 119.748 120.200 0.060 0.000 2.482 105 E HA 0.062 4.368 4.350 -0.072 0.000 0.200 105 E C 0.215 176.877 176.600 0.104 0.000 1.147 105 E CA 0.021 56.474 56.400 0.088 0.000 0.912 105 E CB -0.110 29.629 29.700 0.065 0.000 0.938 105 E HN 0.365 nan 8.360 nan 0.000 0.519 106 M N 1.276 120.928 119.600 0.087 0.000 2.267 106 M HA 0.302 4.739 4.480 -0.072 0.000 0.289 106 M C -1.654 174.700 176.300 0.091 0.000 1.043 106 M CA -1.105 54.242 55.300 0.080 0.000 0.928 106 M CB 1.356 33.974 32.600 0.031 0.000 1.613 106 M HN -0.033 nan 8.290 nan 0.000 0.450 107 L N 3.046 124.344 121.223 0.126 0.000 2.260 107 L HA 0.843 5.140 4.340 -0.072 0.000 0.265 107 L C -1.241 175.684 176.870 0.091 0.000 1.015 107 L CA -0.860 54.050 54.840 0.116 0.000 0.826 107 L CB 1.722 43.883 42.059 0.169 0.000 1.373 107 L HN 0.826 nan 8.230 nan 0.000 0.450 108 I N 1.112 121.735 120.570 0.089 0.000 2.468 108 I HA 0.719 4.845 4.170 -0.072 0.000 0.284 108 I C -0.023 176.164 176.117 0.118 0.000 1.038 108 I CA -0.465 60.880 61.300 0.076 0.000 1.083 108 I CB 1.405 39.441 38.000 0.061 0.000 1.223 108 I HN 1.058 nan 8.210 nan 0.000 0.443 109 A N 5.069 127.979 122.820 0.150 0.000 2.768 109 A HA 0.840 5.116 4.320 -0.072 0.000 0.239 109 A C 0.032 177.707 177.584 0.152 0.000 1.794 109 A CA -0.090 52.071 52.037 0.206 0.000 0.853 109 A CB 0.719 19.935 19.000 0.360 0.000 1.725 109 A HN 0.766 nan 8.150 nan 0.000 0.648 110 S N -3.952 111.837 115.700 0.148 0.000 2.752 110 S HA 0.478 4.905 4.470 -0.072 0.000 0.279 110 S C -0.883 173.769 174.600 0.086 0.000 0.949 110 S CA 0.317 58.587 58.200 0.117 0.000 0.916 110 S CB 0.433 63.699 63.200 0.111 0.000 1.157 110 S HN 1.964 nan 8.310 nan 0.000 0.459 111 T N 0.971 115.561 114.554 0.060 0.000 2.775 111 T HA 0.723 5.029 4.350 -0.072 0.000 0.320 111 T C -0.071 174.641 174.700 0.019 0.000 1.597 111 T CA 1.230 63.355 62.100 0.042 0.000 1.022 111 T CB 0.590 69.489 68.868 0.051 0.000 1.485 111 T HN 2.577 nan 8.240 nan 0.000 0.494 112 G N 0.590 109.396 108.800 0.009 0.000 2.466 112 G HA2 0.076 3.993 3.960 -0.072 0.000 0.316 112 G HA3 0.076 3.993 3.960 -0.072 0.000 0.316 112 G C -0.716 174.172 174.900 -0.021 0.000 1.270 112 G CA -0.372 44.725 45.100 -0.005 0.000 0.982 112 G HN 1.532 nan 8.290 nan 0.000 0.506 113 V N 0.884 120.781 119.914 -0.028 0.000 2.681 113 V HA 0.201 4.278 4.120 -0.072 0.000 0.306 113 V C 1.439 177.506 176.094 -0.045 0.000 1.077 113 V CA 0.772 63.051 62.300 -0.034 0.000 1.224 113 V CB -0.047 31.756 31.823 -0.033 0.000 0.879 113 V HN 0.615 nan 8.190 nan 0.000 0.494 114 I N 2.997 123.546 120.570 -0.035 0.000 2.797 114 I HA 0.568 4.694 4.170 -0.072 0.000 0.310 114 I C 1.352 177.453 176.117 -0.026 0.000 0.990 114 I CA 0.211 61.494 61.300 -0.029 0.000 1.228 114 I CB 1.098 39.088 38.000 -0.016 0.000 1.406 114 I HN 0.868 nan 8.210 nan 0.000 0.534 115 G N 2.511 111.303 108.800 -0.014 0.000 2.249 115 G HA2 -0.266 3.651 3.960 -0.072 0.000 0.273 115 G HA3 -0.266 3.651 3.960 -0.072 0.000 0.273 115 G C 0.219 175.106 174.900 -0.020 0.000 1.036 115 G CA 0.535 45.632 45.100 -0.005 0.000 0.824 115 G HN 0.965 nan 8.290 nan 0.000 0.504 116 R N 0.363 120.834 120.500 -0.048 0.000 2.494 116 R HA 0.638 4.934 4.340 -0.072 0.000 0.284 116 R C 0.437 176.689 176.300 -0.081 0.000 1.525 116 R CA 0.109 56.176 56.100 -0.054 0.000 1.460 116 R CB 0.033 30.295 30.300 -0.064 0.000 1.134 116 R HN 0.725 nan 8.270 nan 0.000 0.592 117 Q N 1.944 121.725 119.800 -0.030 0.000 2.339 117 Q HA 0.013 4.310 4.340 -0.072 0.000 0.308 117 Q C -0.564 175.465 176.000 0.049 0.000 1.097 117 Q CA 0.185 55.991 55.803 0.005 0.000 1.007 117 Q CB -0.062 28.700 28.738 0.039 0.000 1.051 117 Q HN 0.634 nan 8.270 nan 0.000 0.381 118 Y N 4.417 124.740 120.300 0.039 0.000 3.137 118 Y HA -0.208 4.298 4.550 -0.072 0.000 0.348 118 Y C -0.870 175.051 175.900 0.035 0.000 1.275 118 Y CA -0.292 57.835 58.100 0.045 0.000 1.516 118 Y CB -0.097 38.396 38.460 0.055 0.000 1.268 118 Y HN 0.608 nan 8.280 nan 0.000 0.644 119 P HA -0.211 nan 4.420 nan 0.000 0.219 119 P C 0.670 178.028 177.300 0.097 0.000 1.150 119 P CA 1.698 64.876 63.100 0.131 0.000 0.814 119 P CB 0.204 31.970 31.700 0.110 0.000 0.787 120 M N -3.131 116.527 119.600 0.096 0.000 2.841 120 M HA -0.263 4.174 4.480 -0.072 0.000 0.166 120 M C 1.307 177.616 176.300 0.015 0.000 0.667 120 M CA 1.887 57.210 55.300 0.038 0.000 0.619 120 M CB -2.772 29.860 32.600 0.053 0.000 2.253 120 M HN 0.259 nan 8.290 nan 0.000 0.313 121 E N 0.485 120.698 120.200 0.021 0.000 2.034 121 E HA 0.050 4.356 4.350 -0.072 0.000 0.192 121 E C 1.740 178.338 176.600 -0.005 0.000 0.963 121 E CA 1.730 58.135 56.400 0.009 0.000 0.831 121 E CB -0.963 28.746 29.700 0.015 0.000 0.801 121 E HN 0.764 nan 8.360 nan 0.000 0.463 122 S N 0.516 116.212 115.700 -0.006 0.000 2.402 122 S HA -0.046 4.381 4.470 -0.072 0.000 0.229 122 S C 2.190 176.765 174.600 -0.042 0.000 1.021 122 S CA 1.038 59.225 58.200 -0.022 0.000 0.974 122 S CB -0.611 62.572 63.200 -0.028 0.000 0.800 122 S HN 0.494 nan 8.310 nan 0.000 0.484 123 I N 2.132 122.668 120.570 -0.056 0.000 2.043 123 I HA -0.308 3.819 4.170 -0.072 0.000 0.231 123 I C 3.027 179.091 176.117 -0.087 0.000 1.024 123 I CA 1.996 63.232 61.300 -0.106 0.000 1.309 123 I CB -0.573 37.355 38.000 -0.120 0.000 1.030 123 I HN 0.247 nan 8.210 nan 0.000 0.389 124 R N 0.481 120.942 120.500 -0.065 0.000 2.159 124 R HA -0.298 3.998 4.340 -0.072 0.000 0.249 124 R C 2.552 178.822 176.300 -0.051 0.000 1.136 124 R CA 2.770 58.838 56.100 -0.054 0.000 0.951 124 R CB -1.211 29.068 30.300 -0.035 0.000 0.876 124 R HN 0.623 nan 8.270 nan 0.000 0.440 125 E N 0.780 120.960 120.200 -0.033 0.000 2.026 125 E HA -0.315 3.991 4.350 -0.072 0.000 0.206 125 E C 1.733 178.325 176.600 -0.012 0.000 1.028 125 E CA 2.040 58.428 56.400 -0.019 0.000 0.845 125 E CB -1.344 28.352 29.700 -0.006 0.000 0.772 125 E HN 0.679 nan 8.360 nan 0.000 0.462 126 H N 0.209 119.205 119.070 -0.123 0.000 2.431 126 H HA -0.007 4.506 4.556 -0.072 0.000 0.297 126 H C 1.073 176.317 175.328 -0.141 0.000 1.115 126 H CA 1.257 57.218 56.048 -0.146 0.000 1.277 126 H CB -0.664 28.956 29.762 -0.237 0.000 1.372 126 H HN 0.319 nan 8.280 nan 0.000 0.516 127 L N 0.879 121.983 121.223 -0.198 0.000 2.449 127 L HA 0.185 4.481 4.340 -0.072 0.000 0.266 127 L C 1.072 177.842 176.870 -0.166 0.000 1.321 127 L CA 1.107 55.818 54.840 -0.216 0.000 1.194 127 L CB -0.467 41.517 42.059 -0.126 0.000 1.384 127 L HN 0.577 nan 8.230 nan 0.000 0.438 128 K N 0.184 120.459 120.400 -0.208 0.000 1.999 128 K HA 0.059 4.335 4.320 -0.072 0.000 0.135 128 K C 0.582 177.099 176.600 -0.138 0.000 1.975 128 K CA 0.446 56.652 56.287 -0.135 0.000 0.980 128 K CB -0.296 32.152 32.500 -0.086 0.000 2.013 128 K HN 0.390 nan 8.250 nan 0.000 0.408 129 T N -1.356 113.069 114.554 -0.215 0.000 3.794 129 T HA 0.599 4.905 4.350 -0.072 0.000 0.300 129 T C -0.448 174.123 174.700 -0.214 0.000 0.961 129 T CA -0.066 61.938 62.100 -0.161 0.000 1.025 129 T CB -0.233 68.588 68.868 -0.078 0.000 1.175 129 T HN 0.486 nan 8.240 nan 0.000 0.474 130 L N 1.017 122.085 121.223 -0.260 0.000 2.362 130 L HA 0.968 5.265 4.340 -0.072 0.000 0.271 130 L C -0.425 176.336 176.870 -0.182 0.000 1.002 130 L CA 0.059 54.733 54.840 -0.276 0.000 0.818 130 L CB 1.542 43.379 42.059 -0.369 0.000 1.298 130 L HN 0.533 nan 8.230 nan 0.000 0.420 131 E N 1.844 121.947 120.200 -0.162 0.000 2.403 131 E HA 0.401 4.708 4.350 -0.072 0.000 0.280 131 E C -0.785 175.765 176.600 -0.083 0.000 1.101 131 E CA -0.381 55.957 56.400 -0.104 0.000 0.856 131 E CB -0.112 29.543 29.700 -0.075 0.000 1.303 131 E HN 1.862 nan 8.360 nan 0.000 0.441 132 W N 2.240 123.505 121.300 -0.057 0.000 2.710 132 W HA 0.377 4.993 4.660 -0.072 0.000 0.396 132 W C -1.504 175.002 176.519 -0.023 0.000 1.078 132 W CA -0.045 57.278 57.345 -0.037 0.000 1.144 132 W CB -1.207 28.236 29.460 -0.029 0.000 1.221 132 W HN 0.568 nan 8.180 nan 0.000 0.603 133 P HA 0.355 nan 4.420 nan 0.000 0.264 133 P C 0.268 177.587 177.300 0.032 0.000 1.537 133 P CA 0.777 63.890 63.100 0.022 0.000 1.189 133 P CB -0.125 31.613 31.700 0.063 0.000 1.687 134 A N 3.245 126.077 122.820 0.019 0.000 2.512 134 A HA 0.403 4.680 4.320 -0.072 0.000 0.278 134 A C 1.035 178.637 177.584 0.030 0.000 1.128 134 A CA 0.812 52.860 52.037 0.018 0.000 0.818 134 A CB -1.270 17.737 19.000 0.011 0.000 1.044 134 A HN 0.742 nan 8.150 nan 0.000 0.526 135 G N 2.451 111.273 108.800 0.035 0.000 2.158 135 G HA2 0.403 4.320 3.960 -0.072 0.000 0.238 135 G HA3 0.403 4.320 3.960 -0.072 0.000 0.238 135 G C -1.147 173.787 174.900 0.057 0.000 1.723 135 G CA -0.847 44.278 45.100 0.043 0.000 0.911 135 G HN 0.679 nan 8.290 nan 0.000 0.741 136 E N -0.205 120.024 120.200 0.048 0.000 2.263 136 E HA 0.683 4.990 4.350 -0.072 0.000 0.264 136 E C 0.610 177.236 176.600 0.044 0.000 0.923 136 E CA -0.399 56.035 56.400 0.057 0.000 0.802 136 E CB 2.121 31.842 29.700 0.034 0.000 1.228 136 E HN 1.986 nan 8.360 nan 0.000 0.417 137 G N 0.788 109.610 108.800 0.037 0.000 2.370 137 G HA2 -0.160 3.756 3.960 -0.072 0.000 0.268 137 G HA3 -0.160 3.756 3.960 -0.072 0.000 0.268 137 G C 0.316 175.262 174.900 0.078 0.000 1.122 137 G CA -0.062 45.026 45.100 -0.020 0.000 0.963 137 G HN 0.704 nan 8.290 nan 0.000 0.500 138 G N -0.717 108.212 108.800 0.214 0.000 3.690 138 G HA2 0.441 4.357 3.960 -0.072 0.000 0.283 138 G HA3 0.441 4.357 3.960 -0.072 0.000 0.283 138 G C 0.732 175.822 174.900 0.316 0.000 1.057 138 G CA -0.216 45.016 45.100 0.220 0.000 0.821 138 G HN 0.324 nan 8.290 nan 0.000 0.526 139 F N 1.127 121.078 119.950 0.001 0.000 2.788 139 F HA 0.167 4.650 4.527 -0.073 0.000 0.300 139 F C 1.852 177.641 175.800 -0.017 0.000 1.229 139 F CA 0.122 58.110 58.000 -0.020 0.000 1.446 139 F CB -0.575 38.404 39.000 -0.034 0.000 1.118 139 F HN 0.379 nan 8.300 nan 0.000 0.579 140 D N 0.268 120.766 120.400 0.162 0.000 2.597 140 D HA 0.051 4.647 4.640 -0.072 0.000 0.261 140 D C 1.680 178.009 176.300 0.048 0.000 1.023 140 D CA -0.018 54.033 54.000 0.085 0.000 0.927 140 D CB -0.364 40.479 40.800 0.071 0.000 1.168 140 D HN 0.351 nan 8.370 nan 0.000 0.491 141 R N -0.141 120.388 120.500 0.048 0.000 3.192 141 R HA 0.656 4.952 4.340 -0.072 0.000 0.264 141 R C 0.822 177.120 176.300 -0.003 0.000 1.464 141 R CA 0.630 56.742 56.100 0.021 0.000 1.309 141 R CB 0.268 30.583 30.300 0.025 0.000 1.283 141 R HN 0.334 nan 8.270 nan 0.000 0.584 142 A N 0.204 123.016 122.820 -0.012 0.000 1.857 142 A HA 0.348 4.625 4.320 -0.072 0.000 0.198 142 A C 1.920 179.484 177.584 -0.033 0.000 1.775 142 A CA 0.331 52.341 52.037 -0.046 0.000 1.281 142 A CB -0.176 18.770 19.000 -0.091 0.000 1.355 142 A HN 0.322 nan 8.150 nan 0.000 0.417 143 A N 1.302 124.110 122.820 -0.021 0.000 2.084 143 A HA -0.165 4.112 4.320 -0.072 0.000 0.221 143 A C 1.928 179.514 177.584 0.003 0.000 1.161 143 A CA 1.769 53.802 52.037 -0.007 0.000 0.653 143 A CB -0.571 18.427 19.000 -0.002 0.000 0.802 143 A HN 0.661 nan 8.150 nan 0.000 0.457 144 R N -1.777 118.723 120.500 0.001 0.000 2.393 144 R HA 0.569 4.866 4.340 -0.072 0.000 0.244 144 R C 1.187 177.487 176.300 0.001 0.000 0.920 144 R CA 0.767 56.869 56.100 0.004 0.000 1.076 144 R CB -0.029 30.274 30.300 0.005 0.000 1.119 144 R HN 0.223 nan 8.270 nan 0.000 0.524 145 A N 1.644 124.461 122.820 -0.005 0.000 2.108 145 A HA 0.199 4.476 4.320 -0.072 0.000 0.206 145 A C 1.870 179.456 177.584 0.004 0.000 1.212 145 A CA -0.127 51.905 52.037 -0.008 0.000 0.843 145 A CB 0.005 18.985 19.000 -0.033 0.000 0.902 145 A HN 0.427 nan 8.150 nan 0.000 0.477 146 I N -2.982 117.596 120.570 0.013 0.000 3.793 146 I HA 0.292 4.418 4.170 -0.072 0.000 0.315 146 I C 0.265 176.407 176.117 0.042 0.000 1.275 146 I CA -0.148 61.175 61.300 0.038 0.000 1.214 146 I CB -0.309 37.738 38.000 0.079 0.000 1.018 146 I HN 0.062 nan 8.210 nan 0.000 0.439 147 M N 2.071 121.688 119.600 0.029 0.000 2.243 147 M HA 0.169 4.605 4.480 -0.072 0.000 0.341 147 M C 1.282 177.596 176.300 0.024 0.000 1.130 147 M CA 0.409 55.724 55.300 0.026 0.000 1.162 147 M CB 1.186 33.797 32.600 0.019 0.000 1.497 147 M HN 0.307 nan 8.290 nan 0.000 0.456 148 T N -3.760 110.807 114.554 0.022 0.000 3.272 148 T HA 0.049 4.355 4.350 -0.072 0.000 0.247 148 T C 1.389 176.093 174.700 0.006 0.000 0.990 148 T CA 0.636 62.745 62.100 0.016 0.000 1.213 148 T CB -0.179 68.699 68.868 0.016 0.000 1.124 148 T HN 0.750 nan 8.240 nan 0.000 0.401 149 T N -0.108 114.449 114.554 0.005 0.000 3.010 149 T HA 0.270 4.576 4.350 -0.072 0.000 0.257 149 T C -0.200 174.502 174.700 0.003 0.000 1.020 149 T CA -0.330 61.767 62.100 -0.004 0.000 0.938 149 T CB -0.541 68.319 68.868 -0.014 0.000 1.049 149 T HN 0.305 nan 8.240 nan 0.000 0.522 150 D N 2.812 123.219 120.400 0.012 0.000 2.378 150 D HA 0.273 4.870 4.640 -0.072 0.000 0.238 150 D C 1.209 177.515 176.300 0.011 0.000 1.180 150 D CA 0.690 54.699 54.000 0.015 0.000 0.895 150 D CB 0.777 41.589 40.800 0.019 0.000 1.192 150 D HN 0.391 nan 8.370 nan 0.000 0.438 151 T N -3.486 111.074 114.554 0.011 0.000 3.132 151 T HA 0.512 4.819 4.350 -0.072 0.000 0.274 151 T C 0.450 175.155 174.700 0.009 0.000 1.011 151 T CA -0.376 61.730 62.100 0.009 0.000 0.899 151 T CB -0.175 68.699 68.868 0.009 0.000 1.089 151 T HN 0.626 nan 8.240 nan 0.000 0.543 152 R N 1.470 121.976 120.500 0.010 0.000 2.764 152 R HA 0.700 4.997 4.340 -0.072 0.000 0.250 152 R C -3.687 172.619 176.300 0.010 0.000 1.122 152 R CA -1.356 54.750 56.100 0.009 0.000 1.022 152 R CB -0.523 29.782 30.300 0.008 0.000 1.266 152 R HN 0.215 nan 8.270 nan 0.000 0.454 153 P HA 0.397 nan 4.420 nan 0.000 0.274 153 P C -1.235 176.070 177.300 0.008 0.000 1.237 153 P CA -0.213 62.893 63.100 0.010 0.000 0.793 153 P CB 1.001 32.706 31.700 0.009 0.000 0.977 154 K N 1.005 121.410 120.400 0.007 0.000 2.244 154 K HA 0.562 4.838 4.320 -0.072 0.000 0.260 154 K C -0.142 176.452 176.600 -0.009 0.000 0.951 154 K CA -0.486 55.802 56.287 0.001 0.000 0.826 154 K CB 1.819 34.325 32.500 0.009 0.000 1.108 154 K HN 0.461 nan 8.250 nan 0.000 0.433 155 E N 1.646 121.842 120.200 -0.007 0.000 2.352 155 E HA 0.638 4.944 4.350 -0.072 0.000 0.280 155 E C -1.846 174.755 176.600 0.002 0.000 0.930 155 E CA -0.943 55.456 56.400 -0.002 0.000 0.765 155 E CB 1.983 31.699 29.700 0.026 0.000 1.219 155 E HN 0.285 nan 8.360 nan 0.000 0.434 156 V N 1.413 121.330 119.914 0.005 0.000 3.178 156 V HA 0.985 5.061 4.120 -0.072 0.000 0.302 156 V C -1.602 174.515 176.094 0.038 0.000 1.262 156 V CA 0.324 62.634 62.300 0.016 0.000 1.030 156 V CB 1.969 33.800 31.823 0.013 0.000 1.074 156 V HN 1.026 nan 8.190 nan 0.000 0.438 157 R N 2.362 122.884 120.500 0.037 0.000 2.629 157 R HA 0.906 5.202 4.340 -0.072 0.000 0.266 157 R C -2.103 174.214 176.300 0.029 0.000 1.051 157 R CA 0.203 56.325 56.100 0.038 0.000 0.895 157 R CB 1.393 31.707 30.300 0.023 0.000 1.246 157 R HN 1.474 nan 8.270 nan 0.000 0.459 158 V N -0.085 119.845 119.914 0.027 0.000 3.178 158 V HA 0.948 5.024 4.120 -0.072 0.000 0.302 158 V C 0.230 176.335 176.094 0.018 0.000 1.262 158 V CA -0.445 61.866 62.300 0.018 0.000 1.030 158 V CB 2.082 33.912 31.823 0.012 0.000 1.074 158 V HN 1.545 nan 8.190 nan 0.000 0.438 159 S N 0.547 116.258 115.700 0.018 0.000 2.472 159 S HA 0.918 5.344 4.470 -0.072 0.000 0.303 159 S C -0.822 173.795 174.600 0.029 0.000 1.099 159 S CA -0.754 57.462 58.200 0.027 0.000 1.077 159 S CB 1.688 64.903 63.200 0.024 0.000 1.031 159 S HN 1.171 nan 8.310 nan 0.000 0.487 160 V N 1.743 121.685 119.914 0.047 0.000 2.903 160 V HA 0.577 4.654 4.120 -0.072 0.000 0.289 160 V C 0.908 177.052 176.094 0.083 0.000 1.355 160 V CA 0.734 63.068 62.300 0.056 0.000 0.953 160 V CB 1.091 32.944 31.823 0.050 0.000 1.102 160 V HN 2.232 nan 8.190 nan 0.000 0.435 161 G N 4.028 112.871 108.800 0.071 0.000 2.317 161 G HA2 -0.050 3.866 3.960 -0.072 0.000 0.265 161 G HA3 -0.050 3.866 3.960 -0.072 0.000 0.265 161 G C 1.580 176.523 174.900 0.073 0.000 0.983 161 G CA 1.453 46.598 45.100 0.075 0.000 0.641 161 G HN 2.703 nan 8.290 nan 0.000 0.556 162 G N -2.111 106.734 108.800 0.076 0.000 2.186 162 G HA2 0.447 4.364 3.960 -0.072 0.000 0.130 162 G HA3 0.447 4.364 3.960 -0.072 0.000 0.130 162 G C 0.116 175.071 174.900 0.092 0.000 1.031 162 G CA 0.876 46.017 45.100 0.070 0.000 0.697 162 G HN 2.154 nan 8.290 nan 0.000 0.494 163 A N -0.448 122.442 122.820 0.118 0.000 2.380 163 A HA 0.919 5.196 4.320 -0.072 0.000 0.315 163 A C 0.139 177.804 177.584 0.135 0.000 1.101 163 A CA -0.161 51.972 52.037 0.161 0.000 0.771 163 A CB 1.501 20.656 19.000 0.257 0.000 1.287 163 A HN 0.700 nan 8.150 nan 0.000 0.436 164 T N 2.351 116.999 114.554 0.156 0.000 3.029 164 T HA 0.388 4.695 4.350 -0.072 0.000 0.346 164 T C -0.663 174.114 174.700 0.128 0.000 1.211 164 T CA 0.031 62.195 62.100 0.107 0.000 1.009 164 T CB -0.327 68.588 68.868 0.080 0.000 1.084 164 T HN 0.487 nan 8.240 nan 0.000 0.536 165 L N 5.579 126.865 121.223 0.105 0.000 2.255 165 L HA 0.706 5.002 4.340 -0.072 0.000 0.289 165 L C -1.003 175.938 176.870 0.118 0.000 1.046 165 L CA -0.261 54.655 54.840 0.128 0.000 0.816 165 L CB 0.587 42.675 42.059 0.048 0.000 1.197 165 L HN 0.306 nan 8.230 nan 0.000 0.427 166 V N 4.349 124.372 119.914 0.180 0.000 2.733 166 V HA 0.860 4.937 4.120 -0.072 0.000 0.306 166 V C 0.139 176.370 176.094 0.229 0.000 1.084 166 V CA -0.299 62.135 62.300 0.223 0.000 0.905 166 V CB 1.736 33.704 31.823 0.242 0.000 1.010 166 V HN 0.888 nan 8.190 nan 0.000 0.424 167 G N 4.157 112.902 108.800 -0.091 0.000 2.662 167 G HA2 0.745 4.661 3.960 -0.072 0.000 0.302 167 G HA3 0.745 4.661 3.960 -0.072 0.000 0.302 167 G C -0.935 173.751 174.900 -0.357 0.000 1.389 167 G CA -0.688 44.126 45.100 -0.477 0.000 0.998 167 G HN 0.938 nan 8.290 nan 0.000 0.502 168 I N 0.645 121.051 120.570 -0.272 0.000 2.440 168 I HA 0.829 4.955 4.170 -0.072 0.000 0.294 168 I C 0.452 176.511 176.117 -0.098 0.000 0.995 168 I CA -0.882 60.339 61.300 -0.132 0.000 1.306 168 I CB 1.816 39.765 38.000 -0.086 0.000 1.407 168 I HN 0.548 nan 8.210 nan 0.000 0.501 169 A N 5.586 128.384 122.820 -0.037 0.000 3.538 169 A HA 0.844 5.120 4.320 -0.072 0.000 0.174 169 A C -0.036 177.563 177.584 0.025 0.000 1.733 169 A CA -0.297 51.748 52.037 0.013 0.000 0.888 169 A CB 0.872 19.931 19.000 0.098 0.000 1.804 169 A HN 0.910 nan 8.150 nan 0.000 0.626 170 K N -2.533 117.894 120.400 0.045 0.000 3.324 170 K HA 0.407 4.683 4.320 -0.072 0.000 0.384 170 K C -0.777 175.852 176.600 0.048 0.000 1.159 170 K CA 0.360 56.671 56.287 0.041 0.000 0.926 170 K CB -0.184 32.341 32.500 0.041 0.000 1.352 170 K HN 2.773 nan 8.250 nan 0.000 0.433 171 G N 0.485 109.311 108.800 0.044 0.000 3.307 171 G HA2 0.002 3.919 3.960 -0.072 0.000 0.686 171 G HA3 0.002 3.919 3.960 -0.072 0.000 0.686 171 G C -0.112 174.820 174.900 0.054 0.000 0.983 171 G CA -0.051 45.077 45.100 0.047 0.000 0.804 171 G HN 1.455 nan 8.290 nan 0.000 0.531 172 V N 0.097 120.042 119.914 0.051 0.000 3.355 172 V HA 0.779 4.856 4.120 -0.072 0.000 0.330 172 V C 0.926 177.070 176.094 0.083 0.000 1.479 172 V CA 0.976 63.312 62.300 0.061 0.000 1.150 172 V CB 0.390 32.243 31.823 0.050 0.000 1.044 172 V HN 2.199 nan 8.190 nan 0.000 0.501 173 G N -1.277 107.567 108.800 0.073 0.000 2.725 173 G HA2 0.532 4.448 3.960 -0.072 0.000 0.288 173 G HA3 0.532 4.448 3.960 -0.072 0.000 0.288 173 G C -0.134 174.813 174.900 0.079 0.000 1.399 173 G CA -0.837 44.316 45.100 0.087 0.000 0.859 173 G HN 0.392 nan 8.290 nan 0.000 0.479 174 M N -0.092 119.560 119.600 0.087 0.000 2.107 174 M HA -0.168 4.269 4.480 -0.072 0.000 0.190 174 M C -1.223 175.114 176.300 0.062 0.000 0.436 174 M CA 0.469 55.809 55.300 0.066 0.000 0.393 174 M CB -0.879 31.742 32.600 0.036 0.000 1.003 174 M HN 0.439 nan 8.290 nan 0.000 0.939 175 L N 1.451 122.718 121.223 0.073 0.000 2.410 175 L HA 0.643 4.939 4.340 -0.072 0.000 0.270 175 L C -0.444 176.459 176.870 0.055 0.000 0.983 175 L CA -0.282 54.597 54.840 0.065 0.000 0.822 175 L CB 1.897 44.000 42.059 0.073 0.000 1.285 175 L HN 0.457 nan 8.230 nan 0.000 0.409 176 E N 5.893 126.124 120.200 0.052 0.000 2.351 176 E HA 0.105 4.412 4.350 -0.072 0.000 0.253 176 E C -2.804 173.821 176.600 0.042 0.000 1.125 176 E CA -0.767 55.658 56.400 0.042 0.000 0.561 176 E CB 0.531 30.244 29.700 0.023 0.000 1.082 176 E HN 0.311 nan 8.360 nan 0.000 0.418 177 P HA 0.118 nan 4.420 nan 0.000 0.267 177 P C -0.323 176.998 177.300 0.036 0.000 1.200 177 P CA 0.314 63.447 63.100 0.054 0.000 0.772 177 P CB 0.783 32.532 31.700 0.081 0.000 0.855 178 D N 2.289 122.705 120.400 0.026 0.000 2.945 178 D HA 0.155 4.752 4.640 -0.072 0.000 0.340 178 D C 0.097 176.405 176.300 0.013 0.000 1.240 178 D CA -0.226 53.782 54.000 0.013 0.000 0.749 178 D CB -0.228 40.580 40.800 0.012 0.000 1.217 178 D HN 0.151 nan 8.370 nan 0.000 0.514 179 M N 0.644 120.243 119.600 -0.001 0.000 2.250 179 M HA 0.289 4.726 4.480 -0.072 0.000 0.337 179 M C 0.953 177.239 176.300 -0.024 0.000 1.161 179 M CA 0.261 55.545 55.300 -0.027 0.000 1.088 179 M CB 1.025 33.572 32.600 -0.089 0.000 1.639 179 M HN 0.235 nan 8.290 nan 0.000 0.447 180 A N 1.886 124.702 122.820 -0.005 0.000 2.340 180 A HA 0.210 4.487 4.320 -0.072 0.000 0.213 180 A C 0.608 178.203 177.584 0.019 0.000 1.299 180 A CA -0.052 51.998 52.037 0.021 0.000 0.994 180 A CB 0.406 19.444 19.000 0.064 0.000 1.132 180 A HN 0.722 nan 8.150 nan 0.000 0.519 181 T N 2.212 116.789 114.554 0.037 0.000 2.771 181 T HA 0.477 4.783 4.350 -0.072 0.000 0.291 181 T C -0.538 174.183 174.700 0.036 0.000 0.954 181 T CA -0.075 62.047 62.100 0.038 0.000 1.045 181 T CB 1.230 70.119 68.868 0.035 0.000 0.917 181 T HN 0.259 nan 8.240 nan 0.000 0.484 182 L N 5.399 126.641 121.223 0.031 0.000 2.317 182 L HA 0.634 4.930 4.340 -0.072 0.000 0.281 182 L C -1.419 175.420 176.870 -0.052 0.000 1.024 182 L CA -0.785 54.064 54.840 0.014 0.000 0.810 182 L CB 0.921 43.008 42.059 0.047 0.000 1.240 182 L HN 0.664 nan 8.230 nan 0.000 0.427 183 L N 4.874 126.033 121.223 -0.107 0.000 2.457 183 L HA 0.352 4.649 4.340 -0.072 0.000 0.266 183 L C -0.456 176.124 176.870 -0.484 0.000 0.979 183 L CA -0.147 54.524 54.840 -0.282 0.000 0.857 183 L CB 2.061 44.069 42.059 -0.084 0.000 1.213 183 L HN 0.616 nan 8.230 nan 0.000 0.418 184 T N 2.692 116.780 114.554 -0.776 0.000 2.861 184 T HA 0.790 5.096 4.350 -0.072 0.000 0.287 184 T C -1.120 173.057 174.700 -0.872 0.000 1.003 184 T CA -0.166 61.519 62.100 -0.692 0.000 0.977 184 T CB 0.814 69.269 68.868 -0.689 0.000 0.996 184 T HN 0.205 nan 8.240 nan 0.000 0.448 185 F N 3.099 122.978 119.950 -0.118 0.000 2.588 185 F HA 0.808 5.292 4.527 -0.072 0.000 0.314 185 F C -0.693 175.021 175.800 -0.144 0.000 1.069 185 F CA -1.011 56.978 58.000 -0.019 0.000 0.931 185 F CB 1.636 40.599 39.000 -0.062 0.000 1.260 185 F HN 0.467 nan 8.300 nan 0.000 0.465 186 F N 0.606 120.652 119.950 0.160 0.000 2.640 186 F HA 0.886 5.369 4.527 -0.073 0.000 0.324 186 F C -0.393 175.459 175.800 0.087 0.000 1.077 186 F CA -1.205 56.862 58.000 0.113 0.000 0.965 186 F CB 2.123 41.205 39.000 0.136 0.000 1.351 186 F HN 0.595 nan 8.300 nan 0.000 0.487 187 A N 0.746 123.711 122.820 0.241 0.000 2.577 187 A HA 0.665 4.942 4.320 -0.072 0.000 0.297 187 A C -1.253 176.342 177.584 0.018 0.000 1.060 187 A CA -0.485 51.464 52.037 -0.146 0.000 0.697 187 A CB 1.694 20.234 19.000 -0.767 0.000 1.281 187 A HN 0.799 nan 8.150 nan 0.000 0.402 188 T N 0.040 114.759 114.554 0.275 0.000 2.942 188 T HA 0.494 4.801 4.350 -0.072 0.000 0.327 188 T C -0.955 174.174 174.700 0.715 0.000 1.360 188 T CA 0.241 62.648 62.100 0.512 0.000 1.055 188 T CB 1.201 70.391 68.868 0.537 0.000 1.261 188 T HN 0.791 nan 8.240 nan 0.000 0.485 189 D N 1.860 122.550 120.400 0.485 0.000 2.319 189 D HA 0.423 5.020 4.640 -0.072 0.000 0.230 189 D C 0.827 177.241 176.300 0.190 0.000 1.094 189 D CA -0.238 53.923 54.000 0.269 0.000 0.856 189 D CB 0.021 40.912 40.800 0.153 0.000 0.915 189 D HN 0.643 nan 8.370 nan 0.000 0.517 190 A N 0.267 123.232 122.820 0.243 0.000 2.371 190 A HA 0.660 4.936 4.320 -0.072 0.000 0.257 190 A C 0.705 178.323 177.584 0.055 0.000 1.089 190 A CA -0.452 51.678 52.037 0.156 0.000 0.794 190 A CB 0.268 19.410 19.000 0.236 0.000 1.029 190 A HN 0.396 nan 8.150 nan 0.000 0.488 191 R N 1.174 121.680 120.500 0.010 0.000 2.312 191 R HA 0.757 5.053 4.340 -0.072 0.000 0.311 191 R C -0.883 175.370 176.300 -0.078 0.000 1.004 191 R CA -0.187 55.900 56.100 -0.022 0.000 0.902 191 R CB 0.128 30.425 30.300 -0.005 0.000 1.073 191 R HN 0.821 nan 8.270 nan 0.000 0.457 192 L N 0.865 122.030 121.223 -0.096 0.000 2.622 192 L HA 0.363 4.660 4.340 -0.072 0.000 0.258 192 L C -1.138 175.683 176.870 -0.082 0.000 0.996 192 L CA -1.207 53.559 54.840 -0.124 0.000 0.858 192 L CB 2.862 44.772 42.059 -0.248 0.000 1.449 192 L HN 0.837 nan 8.230 nan 0.000 0.411 193 D N 1.359 121.720 120.400 -0.065 0.000 2.302 193 D HA 0.243 4.839 4.640 -0.072 0.000 0.248 193 D C -1.733 174.539 176.300 -0.046 0.000 1.094 193 D CA -1.283 52.691 54.000 -0.042 0.000 0.897 193 D CB 1.709 42.491 40.800 -0.029 0.000 1.200 193 D HN 0.149 nan 8.370 nan 0.000 0.429 194 P HA -0.249 nan 4.420 nan 0.000 0.216 194 P C 0.732 178.015 177.300 -0.029 0.000 1.157 194 P CA 2.038 65.117 63.100 -0.035 0.000 0.880 194 P CB 0.044 31.732 31.700 -0.020 0.000 0.791 195 A N -0.012 122.798 122.820 -0.018 0.000 1.842 195 A HA -0.273 4.003 4.320 -0.072 0.000 0.217 195 A C 2.309 179.890 177.584 -0.005 0.000 1.206 195 A CA 1.860 53.893 52.037 -0.007 0.000 0.630 195 A CB -1.520 17.479 19.000 -0.003 0.000 0.839 195 A HN 0.097 nan 8.150 nan 0.000 0.447 196 E N -0.720 119.472 120.200 -0.013 0.000 2.147 196 E HA -0.289 4.018 4.350 -0.072 0.000 0.199 196 E C 2.236 178.830 176.600 -0.009 0.000 1.005 196 E CA 1.734 58.127 56.400 -0.010 0.000 0.810 196 E CB -0.267 29.419 29.700 -0.024 0.000 0.736 196 E HN 0.791 nan 8.360 nan 0.000 0.460 197 Q N 0.532 120.308 119.800 -0.040 0.000 2.050 197 Q HA -0.201 4.096 4.340 -0.072 0.000 0.202 197 Q C 1.427 177.452 176.000 0.042 0.000 0.980 197 Q CA 2.129 57.905 55.803 -0.045 0.000 0.840 197 Q CB 0.010 28.685 28.738 -0.105 0.000 0.898 197 Q HN 0.172 nan 8.270 nan 0.000 0.424 198 D N -0.341 120.077 120.400 0.030 0.000 2.117 198 D HA -0.130 4.467 4.640 -0.072 0.000 0.197 198 D C 1.970 178.344 176.300 0.124 0.000 0.987 198 D CA 1.121 55.177 54.000 0.093 0.000 0.829 198 D CB -0.017 40.808 40.800 0.042 0.000 0.961 198 D HN 0.209 nan 8.370 nan 0.000 0.460 199 R N 0.109 120.652 120.500 0.071 0.000 2.105 199 R HA -0.081 4.216 4.340 -0.072 0.000 0.239 199 R C 2.388 178.730 176.300 0.069 0.000 1.135 199 R CA 0.740 56.875 56.100 0.058 0.000 0.967 199 R CB -0.406 29.918 30.300 0.039 0.000 0.861 199 R HN 0.311 nan 8.270 nan 0.000 0.442 200 L N -0.305 120.975 121.223 0.095 0.000 2.209 200 L HA -0.008 4.288 4.340 -0.072 0.000 0.207 200 L C 2.065 179.013 176.870 0.130 0.000 1.094 200 L CA 0.841 55.750 54.840 0.115 0.000 0.790 200 L CB -0.239 41.911 42.059 0.153 0.000 0.932 200 L HN -0.026 nan 8.230 nan 0.000 0.447 201 F N 1.608 121.549 119.950 -0.014 0.000 2.000 201 F HA -0.163 4.321 4.527 -0.071 0.000 0.295 201 F C 2.641 178.398 175.800 -0.072 0.000 1.159 201 F CA 1.893 59.853 58.000 -0.067 0.000 1.171 201 F CB -0.500 38.443 39.000 -0.096 0.000 0.971 201 F HN -0.068 nan 8.300 nan 0.000 0.479 202 R N -0.023 120.377 120.500 -0.166 0.000 2.096 202 R HA -0.209 4.088 4.340 -0.072 0.000 0.240 202 R C 2.416 178.615 176.300 -0.168 0.000 1.139 202 R CA 1.792 57.746 56.100 -0.243 0.000 0.952 202 R CB -0.638 29.630 30.300 -0.054 0.000 0.854 202 R HN 0.285 nan 8.270 nan 0.000 0.436 203 R N 0.368 120.826 120.500 -0.070 0.000 2.185 203 R HA -0.178 4.119 4.340 -0.072 0.000 0.247 203 R C 1.786 178.050 176.300 -0.060 0.000 1.159 203 R CA 1.534 57.615 56.100 -0.032 0.000 0.988 203 R CB -0.019 30.287 30.300 0.010 0.000 0.871 203 R HN 0.146 nan 8.270 nan 0.000 0.458 204 V N -0.349 119.488 119.914 -0.127 0.000 2.795 204 V HA -0.102 3.975 4.120 -0.072 0.000 0.243 204 V C 2.128 178.093 176.094 -0.215 0.000 1.069 204 V CA 0.668 62.862 62.300 -0.177 0.000 1.089 204 V CB 0.039 31.752 31.823 -0.182 0.000 0.756 204 V HN 0.243 nan 8.190 nan 0.000 0.471 205 M N 0.255 119.676 119.600 -0.299 0.000 2.213 205 M HA -0.150 4.287 4.480 -0.072 0.000 0.263 205 M C 1.428 177.678 176.300 -0.082 0.000 1.062 205 M CA 1.584 56.738 55.300 -0.243 0.000 1.105 205 M CB -1.095 31.187 32.600 -0.530 0.000 1.385 205 M HN 0.346 nan 8.290 nan 0.000 0.417 206 D N -0.687 119.672 120.400 -0.067 0.000 2.355 206 D HA 0.003 4.600 4.640 -0.072 0.000 0.218 206 D C 1.918 178.319 176.300 0.168 0.000 1.004 206 D CA 0.449 54.481 54.000 0.053 0.000 0.880 206 D CB 0.201 41.033 40.800 0.053 0.000 0.911 206 D HN 0.149 nan 8.370 nan 0.000 0.528 207 R N -0.640 119.859 120.500 -0.001 0.000 2.344 207 R HA 0.175 4.471 4.340 -0.072 0.000 0.209 207 R C 1.441 177.648 176.300 -0.155 0.000 0.886 207 R CA 0.771 56.783 56.100 -0.148 0.000 1.040 207 R CB 0.528 30.700 30.300 -0.214 0.000 1.114 207 R HN 0.338 nan 8.270 nan 0.000 0.547 208 T N -2.635 111.838 114.554 -0.135 0.000 3.478 208 T HA 0.146 4.452 4.350 -0.072 0.000 0.223 208 T C 1.738 176.350 174.700 -0.146 0.000 0.958 208 T CA -0.014 61.976 62.100 -0.184 0.000 1.324 208 T CB -0.653 68.008 68.868 -0.344 0.000 1.262 208 T HN -0.085 nan 8.240 nan 0.000 0.379 209 F N 2.627 122.545 119.950 -0.054 0.000 2.186 209 F HA 0.210 4.694 4.527 -0.071 0.000 0.299 209 F C 2.151 177.948 175.800 -0.005 0.000 1.090 209 F CA 0.784 58.769 58.000 -0.024 0.000 1.307 209 F CB -0.507 38.455 39.000 -0.065 0.000 1.019 209 F HN 0.187 nan 8.300 nan 0.000 0.489 210 N N 0.010 118.799 118.700 0.148 0.000 2.421 210 N HA 0.105 4.802 4.740 -0.072 0.000 0.201 210 N C 1.125 176.692 175.510 0.096 0.000 1.198 210 N CA 0.621 53.726 53.050 0.092 0.000 0.838 210 N CB 0.200 38.720 38.487 0.055 0.000 1.011 210 N HN 0.242 nan 8.380 nan 0.000 0.463 211 A N -0.855 122.033 122.820 0.114 0.000 2.358 211 A HA 0.173 4.450 4.320 -0.072 0.000 0.223 211 A C 0.686 178.318 177.584 0.081 0.000 1.218 211 A CA -0.073 52.045 52.037 0.136 0.000 0.942 211 A CB 0.672 19.774 19.000 0.171 0.000 1.005 211 A HN 0.083 nan 8.150 nan 0.000 0.514 212 V N -0.031 119.940 119.914 0.095 0.000 2.716 212 V HA 0.720 4.797 4.120 -0.072 0.000 0.304 212 V C -0.472 175.659 176.094 0.063 0.000 1.053 212 V CA -0.064 62.299 62.300 0.105 0.000 0.984 212 V CB 1.841 33.726 31.823 0.102 0.000 1.021 212 V HN 0.259 nan 8.190 nan 0.000 0.467 213 S N 4.638 120.368 115.700 0.051 0.000 2.689 213 S HA 0.494 4.921 4.470 -0.072 0.000 0.274 213 S C 0.203 174.812 174.600 0.014 0.000 1.176 213 S CA -0.638 57.577 58.200 0.026 0.000 1.014 213 S CB 1.176 64.378 63.200 0.002 0.000 1.071 213 S HN 0.616 nan 8.310 nan 0.000 0.478 214 I N 2.665 123.245 120.570 0.017 0.000 2.556 214 I HA 0.118 4.245 4.170 -0.072 0.000 0.251 214 I C 1.081 177.154 176.117 -0.074 0.000 1.105 214 I CA 0.628 61.926 61.300 -0.003 0.000 1.436 214 I CB 0.088 38.119 38.000 0.051 0.000 1.139 214 I HN 0.675 nan 8.210 nan 0.000 0.438 215 D N -1.470 118.907 120.400 -0.038 0.000 2.525 215 D HA -0.007 4.589 4.640 -0.072 0.000 0.231 215 D C 0.887 177.168 176.300 -0.032 0.000 1.216 215 D CA 0.877 54.827 54.000 -0.083 0.000 0.813 215 D CB -0.020 40.794 40.800 0.023 0.000 1.108 215 D HN 0.278 nan 8.370 nan 0.000 0.524 216 T N -2.679 111.867 114.554 -0.013 0.000 6.885 216 T HA -0.247 4.060 4.350 -0.072 0.000 0.286 216 T C -0.414 174.291 174.700 0.008 0.000 2.119 216 T CA 1.038 63.134 62.100 -0.007 0.000 3.358 216 T CB -2.461 66.394 68.868 -0.022 0.000 1.764 216 T HN 0.239 nan 8.240 nan 0.000 1.202 217 D N 2.463 122.878 120.400 0.025 0.000 2.713 217 D HA 0.254 4.850 4.640 -0.072 0.000 0.229 217 D C 0.298 176.617 176.300 0.031 0.000 1.136 217 D CA 0.153 54.170 54.000 0.029 0.000 1.010 217 D CB 0.475 41.301 40.800 0.044 0.000 1.084 217 D HN 0.537 nan 8.370 nan 0.000 0.495 218 T N 1.210 115.781 114.554 0.028 0.000 2.525 218 T HA -0.124 4.182 4.350 -0.072 0.000 0.239 218 T C 0.852 175.576 174.700 0.040 0.000 1.047 218 T CA 0.609 62.730 62.100 0.035 0.000 1.215 218 T CB 0.071 68.958 68.868 0.032 0.000 1.025 218 T HN 0.142 nan 8.240 nan 0.000 0.487 219 S N 2.586 118.312 115.700 0.045 0.000 2.566 219 S HA 0.011 4.437 4.470 -0.072 0.000 0.280 219 S C 1.564 176.198 174.600 0.057 0.000 1.343 219 S CA 0.078 58.306 58.200 0.046 0.000 1.036 219 S CB 0.722 63.950 63.200 0.047 0.000 0.866 219 S HN 0.834 nan 8.310 nan 0.000 0.526 220 T N 1.842 116.432 114.554 0.060 0.000 3.188 220 T HA 0.252 4.558 4.350 -0.072 0.000 0.250 220 T C 0.357 175.105 174.700 0.080 0.000 1.077 220 T CA 0.438 62.588 62.100 0.083 0.000 0.967 220 T CB -0.464 68.463 68.868 0.099 0.000 1.006 220 T HN 0.509 nan 8.240 nan 0.000 0.552 221 S N 0.606 116.349 115.700 0.072 0.000 3.067 221 S HA 0.203 4.630 4.470 -0.072 0.000 0.253 221 S C -0.656 173.997 174.600 0.087 0.000 0.942 221 S CA -0.710 57.537 58.200 0.078 0.000 1.197 221 S CB 0.322 63.560 63.200 0.063 0.000 1.143 221 S HN 0.428 nan 8.310 nan 0.000 0.638 222 D N 3.242 123.690 120.400 0.081 0.000 2.488 222 D HA 0.239 4.836 4.640 -0.072 0.000 0.238 222 D C -0.148 176.208 176.300 0.093 0.000 1.138 222 D CA 1.156 55.192 54.000 0.059 0.000 0.873 222 D CB 0.760 41.589 40.800 0.047 0.000 1.183 222 D HN 0.081 nan 8.370 nan 0.000 0.458 223 T N 0.687 115.248 114.554 0.011 0.000 3.032 223 T HA 0.591 4.898 4.350 -0.072 0.000 0.312 223 T C -1.023 173.525 174.700 -0.252 0.000 1.078 223 T CA -0.676 61.431 62.100 0.012 0.000 1.028 223 T CB 1.729 70.697 68.868 0.167 0.000 1.091 223 T HN 0.396 nan 8.240 nan 0.000 0.457 224 A N 2.844 125.479 122.820 -0.308 0.000 2.359 224 A HA 0.885 5.162 4.320 -0.072 0.000 0.303 224 A C -0.942 176.539 177.584 -0.171 0.000 1.066 224 A CA -0.572 51.274 52.037 -0.318 0.000 0.730 224 A CB 1.042 19.870 19.000 -0.287 0.000 1.211 224 A HN 0.669 nan 8.150 nan 0.000 0.439 225 V N 2.246 122.084 119.914 -0.127 0.000 3.007 225 V HA 0.718 4.794 4.120 -0.072 0.000 0.311 225 V C -0.950 175.058 176.094 -0.143 0.000 1.120 225 V CA -0.667 61.536 62.300 -0.162 0.000 0.980 225 V CB 1.910 33.760 31.823 0.045 0.000 1.033 225 V HN 0.979 nan 8.190 nan 0.000 0.429 226 L N 2.116 123.018 121.223 -0.536 0.000 2.354 226 L HA 0.861 5.158 4.340 -0.072 0.000 0.264 226 L C -1.846 174.729 176.870 -0.492 0.000 1.008 226 L CA -0.338 54.303 54.840 -0.333 0.000 0.819 226 L CB 2.017 43.800 42.059 -0.460 0.000 1.339 226 L HN 0.498 nan 8.230 nan 0.000 0.420 227 F N 3.246 123.272 119.950 0.126 0.000 2.730 227 F HA 0.739 5.222 4.527 -0.072 0.000 0.335 227 F C -0.270 175.740 175.800 0.351 0.000 1.212 227 F CA -0.407 57.718 58.000 0.209 0.000 1.016 227 F CB 1.977 41.138 39.000 0.267 0.000 1.290 227 F HN 0.644 nan 8.300 nan 0.000 0.495 228 A N 3.453 126.547 122.820 0.456 0.000 2.375 228 A HA 0.708 4.984 4.320 -0.072 0.000 0.291 228 A C -1.074 176.660 177.584 0.251 0.000 1.160 228 A CA -0.776 51.490 52.037 0.381 0.000 0.747 228 A CB 0.646 19.750 19.000 0.173 0.000 1.170 228 A HN 0.690 nan 8.150 nan 0.000 0.458 229 N N 1.051 119.884 118.700 0.222 0.000 2.430 229 N HA 0.533 5.230 4.740 -0.072 0.000 0.298 229 N C 0.449 175.987 175.510 0.047 0.000 1.130 229 N CA -0.232 52.852 53.050 0.057 0.000 0.894 229 N CB 1.472 39.901 38.487 -0.096 0.000 1.209 229 N HN 0.388 nan 8.380 nan 0.000 0.503 230 G N 0.406 109.215 108.800 0.015 0.000 3.574 230 G HA2 0.174 4.090 3.960 -0.072 0.000 0.262 230 G HA3 0.174 4.090 3.960 -0.072 0.000 0.262 230 G C 0.091 174.995 174.900 0.006 0.000 1.231 230 G CA -0.406 44.703 45.100 0.016 0.000 1.608 230 G HN 0.592 nan 8.290 nan 0.000 0.628 231 L N 0.470 121.692 121.223 -0.002 0.000 2.779 231 L HA 0.325 4.621 4.340 -0.072 0.000 0.239 231 L C 1.517 178.395 176.870 0.013 0.000 1.245 231 L CA 0.110 54.942 54.840 -0.014 0.000 1.064 231 L CB 0.272 42.298 42.059 -0.056 0.000 1.350 231 L HN 0.411 nan 8.230 nan 0.000 0.455 232 A N -0.951 121.888 122.820 0.032 0.000 2.574 232 A HA 0.529 4.806 4.320 -0.072 0.000 0.246 232 A C 0.739 178.348 177.584 0.042 0.000 1.025 232 A CA 0.276 52.339 52.037 0.043 0.000 1.043 232 A CB 0.155 19.198 19.000 0.071 0.000 1.177 232 A HN 0.443 nan 8.150 nan 0.000 0.526 233 G N -1.057 107.761 108.800 0.030 0.000 2.760 233 G HA2 0.406 4.323 3.960 -0.072 0.000 0.246 233 G HA3 0.406 4.323 3.960 -0.072 0.000 0.246 233 G C -0.056 174.861 174.900 0.028 0.000 1.359 233 G CA 0.279 45.394 45.100 0.025 0.000 0.861 233 G HN 1.753 nan 8.290 nan 0.000 0.541 234 E N -1.392 118.820 120.200 0.020 0.000 2.413 234 E HA 0.547 4.853 4.350 -0.072 0.000 0.263 234 E C 0.444 177.064 176.600 0.033 0.000 1.015 234 E CA 0.438 56.848 56.400 0.016 0.000 0.916 234 E CB 1.223 30.930 29.700 0.011 0.000 0.947 234 E HN 2.010 nan 8.360 nan 0.000 0.440 235 V N 2.329 122.262 119.914 0.033 0.000 2.808 235 V HA 0.247 4.324 4.120 -0.072 0.000 0.308 235 V C -0.265 175.865 176.094 0.061 0.000 1.099 235 V CA -1.200 61.141 62.300 0.067 0.000 0.920 235 V CB 2.183 34.080 31.823 0.124 0.000 1.014 235 V HN 0.927 nan 8.190 nan 0.000 0.425 236 D N 2.894 123.339 120.400 0.075 0.000 2.368 236 D HA 0.145 4.742 4.640 -0.072 0.000 0.268 236 D C 1.191 177.555 176.300 0.107 0.000 1.298 236 D CA 0.701 54.742 54.000 0.070 0.000 0.938 236 D CB 1.776 42.614 40.800 0.063 0.000 1.101 236 D HN 0.746 nan 8.370 nan 0.000 0.509 237 A N 3.856 126.722 122.820 0.076 0.000 1.940 237 A HA -0.128 4.148 4.320 -0.072 0.000 0.219 237 A C 2.108 179.782 177.584 0.151 0.000 1.176 237 A CA 1.689 53.791 52.037 0.109 0.000 0.631 237 A CB -0.598 18.419 19.000 0.028 0.000 0.814 237 A HN 0.643 nan 8.150 nan 0.000 0.446 238 G N -1.606 107.251 108.800 0.095 0.000 2.501 238 G HA2 0.054 3.970 3.960 -0.072 0.000 0.220 238 G HA3 0.054 3.970 3.960 -0.072 0.000 0.220 238 G C 1.223 176.175 174.900 0.087 0.000 1.114 238 G CA 1.685 46.833 45.100 0.079 0.000 0.757 238 G HN 0.768 nan 8.290 nan 0.000 0.559 239 E N -0.135 120.134 120.200 0.115 0.000 2.340 239 E HA 0.278 4.584 4.350 -0.072 0.000 0.198 239 E C 1.801 178.486 176.600 0.142 0.000 0.961 239 E CA 0.117 56.578 56.400 0.102 0.000 0.905 239 E CB -0.433 29.322 29.700 0.091 0.000 0.884 239 E HN 0.394 nan 8.360 nan 0.000 0.491 240 F N 1.271 121.248 119.950 0.045 0.000 2.128 240 F HA 0.020 4.503 4.527 -0.072 0.000 0.295 240 F C 2.329 178.166 175.800 0.062 0.000 1.100 240 F CA 2.155 60.190 58.000 0.059 0.000 1.260 240 F CB 0.198 39.234 39.000 0.060 0.000 1.009 240 F HN 0.275 nan 8.300 nan 0.000 0.476 241 E N 0.422 120.797 120.200 0.293 0.000 2.049 241 E HA -0.301 4.005 4.350 -0.072 0.000 0.198 241 E C 2.092 178.740 176.600 0.080 0.000 1.007 241 E CA 1.869 58.378 56.400 0.182 0.000 0.809 241 E CB -0.311 29.483 29.700 0.156 0.000 0.749 241 E HN 0.566 nan 8.360 nan 0.000 0.450 242 E N -0.288 119.944 120.200 0.053 0.000 2.510 242 E HA -0.023 4.283 4.350 -0.072 0.000 0.202 242 E C 1.344 177.936 176.600 -0.013 0.000 1.072 242 E CA 1.180 57.581 56.400 0.002 0.000 0.883 242 E CB -0.421 29.272 29.700 -0.013 0.000 0.818 242 E HN 0.464 nan 8.360 nan 0.000 0.548 243 A N -0.556 122.230 122.820 -0.057 0.000 1.984 243 A HA 0.419 4.696 4.320 -0.072 0.000 0.203 243 A C 2.109 179.616 177.584 -0.129 0.000 1.292 243 A CA 0.773 52.744 52.037 -0.111 0.000 0.782 243 A CB 0.020 18.900 19.000 -0.199 0.000 0.924 243 A HN 0.524 nan 8.150 nan 0.000 0.475 244 L N -0.616 120.457 121.223 -0.250 0.000 2.217 244 L HA -0.075 4.221 4.340 -0.072 0.000 0.211 244 L C 2.174 179.029 176.870 -0.025 0.000 1.107 244 L CA 2.114 56.831 54.840 -0.204 0.000 0.783 244 L CB -0.570 41.317 42.059 -0.286 0.000 0.919 244 L HN 0.610 nan 8.230 nan 0.000 0.442 245 H N -1.103 117.925 119.070 -0.070 0.000 2.372 245 H HA -0.059 4.453 4.556 -0.073 0.000 0.301 245 H C 1.773 177.095 175.328 -0.010 0.000 1.065 245 H CA 1.806 57.832 56.048 -0.036 0.000 1.364 245 H CB -0.023 29.715 29.762 -0.040 0.000 1.406 245 H HN 0.285 nan 8.280 nan 0.000 0.521 246 T N 0.864 115.567 114.554 0.248 0.000 2.833 246 T HA -0.055 4.252 4.350 -0.072 0.000 0.269 246 T C 2.107 176.881 174.700 0.124 0.000 1.054 246 T CA 1.234 63.429 62.100 0.159 0.000 1.135 246 T CB -0.392 68.512 68.868 0.060 0.000 0.869 246 T HN 0.498 nan 8.240 nan 0.000 0.466 247 A N 1.168 124.080 122.820 0.153 0.000 1.872 247 A HA 0.322 4.598 4.320 -0.072 0.000 0.214 247 A C 2.609 180.363 177.584 0.285 0.000 1.187 247 A CA 1.546 53.717 52.037 0.223 0.000 0.614 247 A CB -1.058 18.163 19.000 0.369 0.000 0.826 247 A HN 0.476 nan 8.150 nan 0.000 0.442 248 A N -0.135 122.889 122.820 0.341 0.000 1.845 248 A HA -0.067 4.209 4.320 -0.072 0.000 0.215 248 A C 1.971 179.476 177.584 -0.132 0.000 1.195 248 A CA 1.693 53.922 52.037 0.320 0.000 0.616 248 A CB -0.831 18.302 19.000 0.220 0.000 0.832 248 A HN 0.928 nan 8.150 nan 0.000 0.443 249 L N -0.637 120.501 121.223 -0.142 0.000 2.651 249 L HA 0.029 4.326 4.340 -0.072 0.000 0.236 249 L C 1.976 178.744 176.870 -0.170 0.000 1.173 249 L CA 1.412 56.149 54.840 -0.172 0.000 0.843 249 L CB -0.638 41.427 42.059 0.009 0.000 0.964 249 L HN 0.356 nan 8.230 nan 0.000 0.454 250 A N -1.236 121.521 122.820 -0.105 0.000 1.944 250 A HA 0.164 4.441 4.320 -0.072 0.000 0.207 250 A C 2.023 179.537 177.584 -0.116 0.000 1.265 250 A CA 0.602 52.586 52.037 -0.089 0.000 0.712 250 A CB -0.374 18.616 19.000 -0.018 0.000 0.915 250 A HN 0.366 nan 8.150 nan 0.000 0.470 251 L N 0.051 121.221 121.223 -0.089 0.000 2.017 251 L HA -0.162 4.134 4.340 -0.072 0.000 0.208 251 L C 2.525 179.284 176.870 -0.185 0.000 1.073 251 L CA 1.284 56.084 54.840 -0.066 0.000 0.745 251 L CB -0.828 41.300 42.059 0.114 0.000 0.894 251 L HN 0.226 nan 8.230 nan 0.000 0.432 252 V N 0.165 119.830 119.914 -0.415 0.000 2.231 252 V HA -0.371 3.706 4.120 -0.072 0.000 0.250 252 V C 2.559 178.473 176.094 -0.301 0.000 1.058 252 V CA 2.031 64.078 62.300 -0.422 0.000 1.022 252 V CB -0.649 30.882 31.823 -0.486 0.000 0.640 252 V HN 0.423 nan 8.190 nan 0.000 0.445 253 K N -0.253 119.918 120.400 -0.382 0.000 2.063 253 K HA -0.247 4.030 4.320 -0.072 0.000 0.208 253 K C 1.869 178.361 176.600 -0.180 0.000 1.048 253 K CA 2.179 58.252 56.287 -0.356 0.000 0.928 253 K CB -0.369 31.916 32.500 -0.358 0.000 0.713 253 K HN 0.565 nan 8.250 nan 0.000 0.442 254 D N 0.614 120.936 120.400 -0.131 0.000 2.144 254 D HA -0.107 4.490 4.640 -0.072 0.000 0.199 254 D C 1.750 178.022 176.300 -0.047 0.000 0.984 254 D CA 0.865 54.824 54.000 -0.069 0.000 0.834 254 D CB 0.006 40.778 40.800 -0.046 0.000 0.955 254 D HN 0.133 nan 8.370 nan 0.000 0.465 255 I N 0.737 121.275 120.570 -0.053 0.000 2.226 255 I HA -0.261 3.865 4.170 -0.072 0.000 0.245 255 I C 2.247 178.362 176.117 -0.005 0.000 1.100 255 I CA 0.969 62.260 61.300 -0.015 0.000 1.374 255 I CB -0.188 37.809 38.000 -0.004 0.000 1.057 255 I HN 0.016 nan 8.210 nan 0.000 0.413 256 A N -0.583 122.223 122.820 -0.024 0.000 2.066 256 A HA -0.094 4.183 4.320 -0.072 0.000 0.218 256 A C 2.380 179.969 177.584 0.008 0.000 1.157 256 A CA 1.461 53.502 52.037 0.006 0.000 0.670 256 A CB -0.312 18.700 19.000 0.020 0.000 0.804 256 A HN 0.359 nan 8.150 nan 0.000 0.453 257 S N -0.726 114.968 115.700 -0.010 0.000 2.458 257 S HA -0.050 4.377 4.470 -0.072 0.000 0.223 257 S C 1.401 176.008 174.600 0.012 0.000 1.019 257 S CA 1.013 59.213 58.200 0.000 0.000 0.937 257 S CB -0.119 63.072 63.200 -0.014 0.000 0.788 257 S HN 0.671 nan 8.310 nan 0.000 0.511 258 D N 1.334 121.741 120.400 0.011 0.000 2.339 258 D HA 0.167 4.763 4.640 -0.072 0.000 0.217 258 D C 0.930 177.251 176.300 0.035 0.000 1.050 258 D CA -0.080 53.932 54.000 0.020 0.000 0.856 258 D CB -0.152 40.658 40.800 0.015 0.000 0.922 258 D HN 0.288 nan 8.370 nan 0.000 0.518 259 G N 1.177 110.002 108.800 0.042 0.000 2.187 259 G HA2 -0.116 3.801 3.960 -0.072 0.000 0.239 259 G HA3 -0.116 3.801 3.960 -0.072 0.000 0.239 259 G C -0.035 174.919 174.900 0.090 0.000 1.200 259 G CA -0.216 44.925 45.100 0.067 0.000 0.888 259 G HN 0.284 nan 8.290 nan 0.000 0.482 260 E N 1.362 121.637 120.200 0.125 0.000 3.131 260 E HA 0.002 4.308 4.350 -0.072 0.000 0.258 260 E C 1.613 178.306 176.600 0.154 0.000 0.901 260 E CA 1.049 57.523 56.400 0.123 0.000 0.964 260 E CB 0.033 29.801 29.700 0.113 0.000 0.903 260 E HN 1.005 nan 8.360 nan 0.000 0.537 261 G N 2.944 111.791 108.800 0.077 0.000 2.448 261 G HA2 -0.445 3.472 3.960 -0.072 0.000 0.257 261 G HA3 -0.445 3.472 3.960 -0.072 0.000 0.257 261 G C 0.600 175.534 174.900 0.057 0.000 0.997 261 G CA 0.497 45.636 45.100 0.065 0.000 0.635 261 G HN 0.920 nan 8.290 nan 0.000 0.556 262 A N -0.000 122.860 122.820 0.066 0.000 2.561 262 A HA 0.667 4.943 4.320 -0.072 0.000 0.234 262 A C 1.529 179.147 177.584 0.056 0.000 1.055 262 A CA 1.292 53.356 52.037 0.045 0.000 0.756 262 A CB 0.400 19.424 19.000 0.040 0.000 0.986 262 A HN 1.805 nan 8.150 nan 0.000 0.505 263 A N 2.501 125.370 122.820 0.082 0.000 1.983 263 A HA 0.287 4.564 4.320 -0.072 0.000 0.207 263 A C 1.009 178.628 177.584 0.058 0.000 1.412 263 A CA 1.097 53.183 52.037 0.081 0.000 0.750 263 A CB -0.148 18.926 19.000 0.123 0.000 1.047 263 A HN 0.871 nan 8.150 nan 0.000 0.504 264 K N -0.076 120.363 120.400 0.065 0.000 2.123 264 K HA 0.718 4.995 4.320 -0.072 0.000 0.248 264 K C -0.563 176.060 176.600 0.039 0.000 0.969 264 K CA -0.694 55.615 56.287 0.036 0.000 0.882 264 K CB 1.767 34.276 32.500 0.015 0.000 1.080 264 K HN 0.317 nan 8.250 nan 0.000 0.441 265 L N 1.853 123.096 121.223 0.033 0.000 2.375 265 L HA 0.567 4.863 4.340 -0.072 0.000 0.268 265 L C -1.119 175.788 176.870 0.062 0.000 1.058 265 L CA -0.874 53.993 54.840 0.045 0.000 0.803 265 L CB 0.871 42.951 42.059 0.036 0.000 1.212 265 L HN 0.681 nan 8.230 nan 0.000 0.451 266 I N 2.718 123.341 120.570 0.087 0.000 2.498 266 I HA 0.376 4.502 4.170 -0.072 0.000 0.290 266 I C -0.918 175.288 176.117 0.149 0.000 1.032 266 I CA -0.441 60.919 61.300 0.100 0.000 1.073 266 I CB 2.015 40.059 38.000 0.073 0.000 1.251 266 I HN 0.655 nan 8.210 nan 0.000 0.426 267 E N 5.935 126.225 120.200 0.150 0.000 2.235 267 E HA 0.401 4.708 4.350 -0.072 0.000 0.252 267 E C -1.621 175.009 176.600 0.050 0.000 0.886 267 E CA -0.528 55.965 56.400 0.156 0.000 0.767 267 E CB 1.857 31.709 29.700 0.254 0.000 1.205 267 E HN 0.340 nan 8.360 nan 0.000 0.421 268 V N 4.908 124.807 119.914 -0.025 0.000 2.385 268 V HA 0.172 4.249 4.120 -0.072 0.000 0.269 268 V C -0.092 175.966 176.094 -0.061 0.000 1.043 268 V CA -0.261 62.016 62.300 -0.039 0.000 0.906 268 V CB 1.239 33.037 31.823 -0.043 0.000 0.995 268 V HN 0.693 nan 8.190 nan 0.000 0.467 269 Q N 3.898 123.675 119.800 -0.040 0.000 2.425 269 Q HA 0.474 4.771 4.340 -0.072 0.000 0.254 269 Q C -0.982 175.003 176.000 -0.025 0.000 1.032 269 Q CA -0.347 55.435 55.803 -0.035 0.000 0.798 269 Q CB 2.029 30.755 28.738 -0.021 0.000 1.210 269 Q HN 0.634 nan 8.270 nan 0.000 0.491 270 V N 2.629 122.539 119.914 -0.008 0.000 2.439 270 V HA 0.550 4.627 4.120 -0.072 0.000 0.282 270 V C 0.382 176.483 176.094 0.011 0.000 1.039 270 V CA -0.301 61.999 62.300 -0.000 0.000 0.913 270 V CB 1.346 33.175 31.823 0.008 0.000 0.983 270 V HN 0.863 nan 8.190 nan 0.000 0.460 271 T N 0.219 114.773 114.554 0.000 0.000 2.812 271 T HA 0.691 4.998 4.350 -0.072 0.000 0.294 271 T C 0.740 175.440 174.700 0.000 0.000 1.159 271 T CA 0.082 62.184 62.100 0.002 0.000 1.008 271 T CB 1.703 70.567 68.868 -0.007 0.000 1.289 271 T HN 1.749 nan 8.240 nan 0.000 0.514 272 G N 0.033 108.834 108.800 0.001 0.000 2.189 272 G HA2 0.062 3.978 3.960 -0.072 0.000 0.267 272 G HA3 0.062 3.978 3.960 -0.072 0.000 0.267 272 G C 0.465 175.366 174.900 0.002 0.000 0.975 272 G CA 0.237 45.337 45.100 -0.000 0.000 0.644 272 G HN 1.602 nan 8.290 nan 0.000 0.537 273 A N -0.102 122.722 122.820 0.006 0.000 2.386 273 A HA 0.679 4.956 4.320 -0.072 0.000 0.248 273 A C 1.469 179.056 177.584 0.005 0.000 1.082 273 A CA 0.988 53.028 52.037 0.005 0.000 0.789 273 A CB 0.196 19.201 19.000 0.008 0.000 1.025 273 A HN 0.804 nan 8.150 nan 0.000 0.490 274 R N 0.108 120.609 120.500 0.001 0.000 2.170 274 R HA -0.180 4.117 4.340 -0.072 0.000 0.242 274 R C -0.425 175.879 176.300 0.005 0.000 1.145 274 R CA 2.161 58.262 56.100 0.001 0.000 0.984 274 R CB -0.269 30.029 30.300 -0.003 0.000 0.869 274 R HN 0.959 nan 8.270 nan 0.000 0.455 275 D N -3.785 116.620 120.400 0.009 0.000 2.725 275 D HA 0.064 4.661 4.640 -0.072 0.000 0.292 275 D C -0.587 175.733 176.300 0.032 0.000 1.288 275 D CA -0.690 53.321 54.000 0.017 0.000 0.784 275 D CB 0.097 40.903 40.800 0.010 0.000 1.308 275 D HN -0.258 nan 8.370 nan 0.000 0.429 276 D N -0.425 120.010 120.400 0.059 0.000 2.218 276 D HA -0.083 4.514 4.640 -0.072 0.000 0.204 276 D C 1.878 178.216 176.300 0.063 0.000 0.976 276 D CA 1.499 55.575 54.000 0.126 0.000 0.853 276 D CB -0.052 40.861 40.800 0.188 0.000 0.939 276 D HN 0.484 nan 8.370 nan 0.000 0.481 277 A N 0.879 123.694 122.820 -0.008 0.000 1.898 277 A HA -0.192 4.085 4.320 -0.072 0.000 0.216 277 A C 2.131 179.650 177.584 -0.109 0.000 1.181 277 A CA 1.177 53.160 52.037 -0.090 0.000 0.620 277 A CB -0.589 18.375 19.000 -0.059 0.000 0.819 277 A HN 0.152 nan 8.150 nan 0.000 0.442 278 Q N -0.611 119.155 119.800 -0.057 0.000 2.226 278 Q HA -0.098 4.199 4.340 -0.072 0.000 0.204 278 Q C 2.051 178.018 176.000 -0.056 0.000 0.975 278 Q CA 1.173 56.944 55.803 -0.052 0.000 0.866 278 Q CB -0.249 28.473 28.738 -0.027 0.000 0.915 278 Q HN 0.629 nan 8.270 nan 0.000 0.440 279 A N 0.653 123.453 122.820 -0.034 0.000 2.014 279 A HA -0.145 4.132 4.320 -0.072 0.000 0.218 279 A C 1.931 179.475 177.584 -0.068 0.000 1.163 279 A CA 1.310 53.349 52.037 0.003 0.000 0.652 279 A CB -0.221 18.846 19.000 0.111 0.000 0.808 279 A HN 0.276 nan 8.150 nan 0.000 0.449 280 K N -0.743 119.495 120.400 -0.269 0.000 2.067 280 K HA -0.048 4.229 4.320 -0.072 0.000 0.203 280 K C 2.225 178.670 176.600 -0.258 0.000 1.048 280 K CA 0.820 56.813 56.287 -0.490 0.000 0.954 280 K CB -0.132 31.804 32.500 -0.941 0.000 0.737 280 K HN 0.275 nan 8.250 nan 0.000 0.444 281 R N 0.583 120.963 120.500 -0.201 0.000 2.171 281 R HA -0.191 4.106 4.340 -0.072 0.000 0.232 281 R C 2.062 178.303 176.300 -0.097 0.000 1.116 281 R CA 2.409 58.432 56.100 -0.129 0.000 0.901 281 R CB -0.988 29.255 30.300 -0.097 0.000 0.850 281 R HN 0.067 nan 8.270 nan 0.000 0.431 282 V N 0.069 119.938 119.914 -0.076 0.000 2.324 282 V HA -0.242 3.835 4.120 -0.072 0.000 0.250 282 V C 2.281 178.340 176.094 -0.058 0.000 1.060 282 V CA 2.204 64.469 62.300 -0.057 0.000 1.042 282 V CB -1.230 30.567 31.823 -0.043 0.000 0.650 282 V HN 0.756 nan 8.190 nan 0.000 0.450 283 G N -0.411 108.350 108.800 -0.065 0.000 2.446 283 G HA2 -0.248 3.668 3.960 -0.072 0.000 0.217 283 G HA3 -0.248 3.668 3.960 -0.072 0.000 0.217 283 G C 1.691 176.554 174.900 -0.061 0.000 1.168 283 G CA 0.819 45.885 45.100 -0.057 0.000 0.771 283 G HN 0.398 nan 8.290 nan 0.000 0.551 284 K N -0.038 120.314 120.400 -0.080 0.000 2.001 284 K HA -0.049 4.227 4.320 -0.072 0.000 0.208 284 K C 2.745 179.312 176.600 -0.054 0.000 1.048 284 K CA 1.425 57.671 56.287 -0.069 0.000 0.932 284 K CB -0.989 31.460 32.500 -0.086 0.000 0.715 284 K HN 0.219 nan 8.250 nan 0.000 0.437 285 T N 1.712 116.232 114.554 -0.056 0.000 2.802 285 T HA -0.120 4.187 4.350 -0.072 0.000 0.269 285 T C 1.976 176.653 174.700 -0.038 0.000 1.062 285 T CA 1.281 63.354 62.100 -0.046 0.000 1.133 285 T CB -0.134 68.707 68.868 -0.044 0.000 0.852 285 T HN -0.044 nan 8.240 nan 0.000 0.485 286 V N 0.001 119.892 119.914 -0.038 0.000 2.379 286 V HA 0.036 4.112 4.120 -0.072 0.000 0.243 286 V C 2.364 178.445 176.094 -0.023 0.000 1.035 286 V CA 0.754 63.037 62.300 -0.029 0.000 1.035 286 V CB -0.387 31.417 31.823 -0.030 0.000 0.673 286 V HN 0.273 nan 8.190 nan 0.000 0.457 287 V N 1.247 121.145 119.914 -0.026 0.000 3.444 287 V HA -0.004 4.073 4.120 -0.072 0.000 0.271 287 V C 1.332 177.409 176.094 -0.028 0.000 1.188 287 V CA 1.338 63.627 62.300 -0.018 0.000 1.168 287 V CB -0.687 31.126 31.823 -0.016 0.000 0.810 287 V HN 0.613 nan 8.190 nan 0.000 0.500 288 N N -0.820 117.859 118.700 -0.036 0.000 2.170 288 N HA 0.108 4.805 4.740 -0.072 0.000 0.222 288 N C 0.507 175.988 175.510 -0.048 0.000 1.218 288 N CA 0.174 53.196 53.050 -0.047 0.000 0.889 288 N CB 0.912 39.373 38.487 -0.044 0.000 1.083 288 N HN 0.310 nan 8.380 nan 0.000 0.520 289 S N 2.440 118.117 115.700 -0.038 0.000 2.405 289 S HA 0.230 4.656 4.470 -0.072 0.000 0.291 289 S C -1.473 173.104 174.600 -0.038 0.000 1.137 289 S CA -1.339 56.840 58.200 -0.035 0.000 1.061 289 S CB 1.043 64.228 63.200 -0.026 0.000 1.001 289 S HN -0.064 nan 8.310 nan 0.000 0.507 290 P HA -0.172 nan 4.420 nan 0.000 0.216 290 P C 1.413 178.691 177.300 -0.035 0.000 1.154 290 P CA 1.235 64.303 63.100 -0.053 0.000 0.865 290 P CB 0.054 31.723 31.700 -0.052 0.000 0.789 291 L N -1.541 119.665 121.223 -0.028 0.000 2.079 291 L HA -0.167 4.129 4.340 -0.072 0.000 0.210 291 L C 2.349 179.215 176.870 -0.008 0.000 1.081 291 L CA 1.352 56.180 54.840 -0.020 0.000 0.752 291 L CB -0.894 41.150 42.059 -0.026 0.000 0.896 291 L HN -0.081 nan 8.230 nan 0.000 0.433 292 V N -0.258 119.654 119.914 -0.004 0.000 2.239 292 V HA -0.269 3.808 4.120 -0.072 0.000 0.242 292 V C 2.405 178.514 176.094 0.024 0.000 1.038 292 V CA 1.651 63.963 62.300 0.020 0.000 1.002 292 V CB -0.492 31.344 31.823 0.022 0.000 0.641 292 V HN 0.380 nan 8.190 nan 0.000 0.449 293 K N 0.358 120.760 120.400 0.003 0.000 2.127 293 K HA -0.299 3.977 4.320 -0.072 0.000 0.212 293 K C 2.143 178.755 176.600 0.020 0.000 1.050 293 K CA 2.401 58.685 56.287 -0.004 0.000 0.929 293 K CB -0.614 31.855 32.500 -0.053 0.000 0.715 293 K HN 0.773 nan 8.250 nan 0.000 0.457 294 T N -1.672 112.891 114.554 0.015 0.000 2.894 294 T HA 0.076 4.382 4.350 -0.072 0.000 0.258 294 T C 2.127 176.873 174.700 0.076 0.000 1.043 294 T CA 0.746 62.877 62.100 0.053 0.000 1.141 294 T CB -0.208 68.671 68.868 0.019 0.000 0.873 294 T HN 0.183 nan 8.240 nan 0.000 0.449 295 A N 0.901 123.741 122.820 0.035 0.000 2.070 295 A HA 0.122 4.398 4.320 -0.072 0.000 0.220 295 A C 2.488 180.079 177.584 0.011 0.000 1.159 295 A CA 1.292 53.337 52.037 0.013 0.000 0.656 295 A CB -0.939 18.061 19.000 0.000 0.000 0.800 295 A HN 0.430 nan 8.150 nan 0.000 0.453 296 V N -1.013 118.927 119.914 0.043 0.000 2.407 296 V HA -0.181 3.896 4.120 -0.072 0.000 0.245 296 V C 2.385 178.498 176.094 0.032 0.000 1.041 296 V CA 2.088 64.409 62.300 0.036 0.000 1.040 296 V CB -0.888 30.975 31.823 0.066 0.000 0.671 296 V HN 0.843 nan 8.190 nan 0.000 0.455 297 H N 1.663 120.719 119.070 -0.023 0.000 2.321 297 H HA -0.148 4.364 4.556 -0.073 0.000 0.295 297 H C 1.920 177.230 175.328 -0.030 0.000 1.102 297 H CA 1.918 57.953 56.048 -0.023 0.000 1.266 297 H CB -0.636 29.115 29.762 -0.018 0.000 1.363 297 H HN 0.377 nan 8.280 nan 0.000 0.492 298 G N -1.454 107.246 108.800 -0.168 0.000 3.295 298 G HA2 0.045 3.962 3.960 -0.072 0.000 0.231 298 G HA3 0.045 3.962 3.960 -0.072 0.000 0.231 298 G C 0.497 175.300 174.900 -0.161 0.000 1.277 298 G CA 0.319 45.285 45.100 -0.224 0.000 1.013 298 G HN 0.717 nan 8.290 nan 0.000 0.509 299 C N -0.170 119.039 119.300 -0.151 0.000 4.259 299 C HA -0.164 4.253 4.460 -0.072 0.000 0.294 299 C C 0.629 175.529 174.990 -0.151 0.000 1.459 299 C CA 0.132 59.066 59.018 -0.141 0.000 2.016 299 C CB -2.472 25.189 27.740 -0.132 0.000 1.274 299 C HN 0.677 nan 8.230 nan 0.000 0.792 300 D N 1.486 121.804 120.400 -0.136 0.000 2.339 300 D HA 0.305 4.901 4.640 -0.072 0.000 0.241 300 D C -0.797 175.365 176.300 -0.232 0.000 1.183 300 D CA -2.005 51.906 54.000 -0.148 0.000 0.859 300 D CB 0.898 41.640 40.800 -0.097 0.000 1.067 300 D HN 0.282 nan 8.370 nan 0.000 0.484 301 P HA -0.056 nan 4.420 nan 0.000 0.285 301 P C -0.162 176.964 177.300 -0.290 0.000 1.521 301 P CA -0.268 62.355 63.100 -0.795 0.000 0.792 301 P CB -0.241 31.095 31.700 -0.608 0.000 1.613 302 N N 1.654 120.308 118.700 -0.078 0.000 2.411 302 N HA -0.081 4.616 4.740 -0.072 0.000 0.265 302 N C 0.980 176.653 175.510 0.271 0.000 1.266 302 N CA 0.091 53.145 53.050 0.006 0.000 0.889 302 N CB 0.274 38.728 38.487 -0.055 0.000 1.069 302 N HN 0.390 nan 8.380 nan 0.000 0.476 303 W N 3.291 124.734 121.300 0.238 0.000 2.993 303 W HA 0.298 4.938 4.660 -0.034 0.000 0.290 303 W C 0.975 177.513 176.519 0.031 0.000 1.203 303 W CA 0.068 57.529 57.345 0.194 0.000 1.582 303 W CB -0.517 29.077 29.460 0.222 0.000 1.033 303 W HN 0.448 nan 8.180 nan 0.000 0.594 304 G N 2.000 110.385 108.800 -0.691 0.000 2.471 304 G HA2 -0.192 3.725 3.960 -0.072 0.000 0.219 304 G HA3 -0.192 3.725 3.960 -0.072 0.000 0.219 304 G C 1.819 176.584 174.900 -0.225 0.000 1.125 304 G CA 0.494 45.189 45.100 -0.674 0.000 0.775 304 G HN 0.167 nan 8.290 nan 0.000 0.548 305 R N -0.379 120.043 120.500 -0.130 0.000 2.066 305 R HA 0.082 4.378 4.340 -0.072 0.000 0.224 305 R C 2.668 178.962 176.300 -0.010 0.000 1.122 305 R CA 0.797 56.863 56.100 -0.056 0.000 0.974 305 R CB -0.570 29.711 30.300 -0.031 0.000 0.871 305 R HN 0.241 nan 8.270 nan 0.000 0.435 306 V N 1.655 121.594 119.914 0.041 0.000 2.231 306 V HA -0.326 3.750 4.120 -0.072 0.000 0.248 306 V C 2.541 178.635 176.094 0.001 0.000 1.054 306 V CA 2.176 64.494 62.300 0.029 0.000 1.015 306 V CB -0.934 30.912 31.823 0.039 0.000 0.638 306 V HN 0.441 nan 8.190 nan 0.000 0.444 307 A N -0.163 122.670 122.820 0.023 0.000 1.903 307 A HA -0.353 3.924 4.320 -0.072 0.000 0.219 307 A C 2.279 179.844 177.584 -0.032 0.000 1.191 307 A CA 2.820 54.839 52.037 -0.031 0.000 0.638 307 A CB -0.684 18.325 19.000 0.015 0.000 0.823 307 A HN 0.499 nan 8.150 nan 0.000 0.451 308 M N 0.106 119.688 119.600 -0.031 0.000 2.065 308 M HA -0.169 4.267 4.480 -0.072 0.000 0.259 308 M C 2.269 178.552 176.300 -0.029 0.000 1.069 308 M CA 2.477 57.757 55.300 -0.034 0.000 1.110 308 M CB -1.271 31.302 32.600 -0.045 0.000 1.328 308 M HN 0.428 nan 8.290 nan 0.000 0.405 309 A N 0.736 123.540 122.820 -0.027 0.000 1.883 309 A HA -0.186 4.090 4.320 -0.072 0.000 0.217 309 A C 2.243 179.809 177.584 -0.030 0.000 1.186 309 A CA 1.951 53.972 52.037 -0.026 0.000 0.624 309 A CB -1.054 17.933 19.000 -0.023 0.000 0.822 309 A HN 0.625 nan 8.150 nan 0.000 0.444 310 I N -0.383 120.167 120.570 -0.033 0.000 2.163 310 I HA -0.235 3.892 4.170 -0.072 0.000 0.243 310 I C 2.618 178.717 176.117 -0.030 0.000 1.085 310 I CA 1.248 62.527 61.300 -0.035 0.000 1.347 310 I CB -0.568 37.405 38.000 -0.045 0.000 1.044 310 I HN 0.425 nan 8.210 nan 0.000 0.408 311 G N 0.448 109.231 108.800 -0.027 0.000 2.498 311 G HA2 -0.212 3.705 3.960 -0.072 0.000 0.219 311 G HA3 -0.212 3.705 3.960 -0.072 0.000 0.219 311 G C 1.627 176.516 174.900 -0.018 0.000 1.119 311 G CA 0.310 45.399 45.100 -0.019 0.000 0.766 311 G HN 0.337 nan 8.290 nan 0.000 0.552 312 K N -0.301 120.086 120.400 -0.022 0.000 2.283 312 K HA -0.034 4.243 4.320 -0.072 0.000 0.202 312 K C 0.944 177.531 176.600 -0.022 0.000 1.048 312 K CA 0.406 56.680 56.287 -0.022 0.000 0.948 312 K CB -0.156 32.329 32.500 -0.025 0.000 0.742 312 K HN 0.278 nan 8.250 nan 0.000 0.458 313 C N 2.859 122.145 119.300 -0.024 0.000 3.093 313 C HA 0.064 4.480 4.460 -0.072 0.000 0.515 313 C C 1.935 176.914 174.990 -0.019 0.000 1.253 313 C CA -0.372 58.631 59.018 -0.025 0.000 1.476 313 C CB -2.274 25.448 27.740 -0.029 0.000 1.873 313 C HN 0.414 nan 8.230 nan 0.000 0.632 314 S N -0.085 115.605 115.700 -0.016 0.000 2.484 314 S HA -0.209 4.217 4.470 -0.072 0.000 0.250 314 S C 1.060 175.654 174.600 -0.011 0.000 0.995 314 S CA 1.661 59.854 58.200 -0.012 0.000 0.967 314 S CB -0.214 62.980 63.200 -0.011 0.000 0.752 314 S HN 0.701 nan 8.310 nan 0.000 0.517 315 D N 1.528 121.920 120.400 -0.013 0.000 2.366 315 D HA 0.078 4.675 4.640 -0.072 0.000 0.205 315 D C -0.521 175.772 176.300 -0.012 0.000 1.022 315 D CA 0.411 54.404 54.000 -0.012 0.000 0.868 315 D CB -0.152 40.639 40.800 -0.014 0.000 0.953 315 D HN 0.550 nan 8.370 nan 0.000 0.514 316 D N 0.733 121.125 120.400 -0.014 0.000 2.608 316 D HA -0.011 4.586 4.640 -0.072 0.000 0.224 316 D C 1.206 177.502 176.300 -0.008 0.000 1.123 316 D CA 0.104 54.096 54.000 -0.013 0.000 1.030 316 D CB 0.331 41.121 40.800 -0.017 0.000 1.093 316 D HN -0.014 nan 8.370 nan 0.000 0.497 317 T N -2.215 112.336 114.554 -0.006 0.000 3.219 317 T HA -0.168 4.138 4.350 -0.072 0.000 0.264 317 T C 0.880 175.580 174.700 -0.000 0.000 1.178 317 T CA 0.262 62.361 62.100 -0.002 0.000 1.057 317 T CB -0.030 68.837 68.868 -0.002 0.000 0.919 317 T HN 0.346 nan 8.240 nan 0.000 0.545 318 D N 0.694 121.093 120.400 -0.002 0.000 2.395 318 D HA 0.110 4.707 4.640 -0.072 0.000 0.213 318 D C 0.318 176.619 176.300 0.001 0.000 1.110 318 D CA -0.433 53.567 54.000 -0.000 0.000 0.835 318 D CB -0.004 40.795 40.800 -0.002 0.000 0.965 318 D HN 0.511 nan 8.370 nan 0.000 0.505 319 I N 1.236 121.807 120.570 0.002 0.000 2.307 319 I HA 0.208 4.334 4.170 -0.072 0.000 0.289 319 I C -0.034 176.090 176.117 0.012 0.000 1.021 319 I CA -0.658 60.645 61.300 0.004 0.000 1.224 319 I CB 1.410 39.408 38.000 -0.002 0.000 1.376 319 I HN -0.219 nan 8.210 nan 0.000 0.470 320 D N 5.543 125.955 120.400 0.020 0.000 2.177 320 D HA 0.021 4.618 4.640 -0.072 0.000 0.247 320 D C 0.613 176.946 176.300 0.054 0.000 1.063 320 D CA -0.258 53.760 54.000 0.030 0.000 0.867 320 D CB 1.730 42.546 40.800 0.026 0.000 1.168 320 D HN 0.612 nan 8.370 nan 0.000 0.445 321 Q N 2.196 122.033 119.800 0.062 0.000 2.615 321 Q HA -0.138 4.158 4.340 -0.072 0.000 0.220 321 Q C 0.242 176.345 176.000 0.171 0.000 0.981 321 Q CA 1.337 57.201 55.803 0.102 0.000 0.939 321 Q CB 0.283 29.075 28.738 0.089 0.000 0.982 321 Q HN 0.517 nan 8.270 nan 0.000 0.550 322 E N -1.489 118.780 120.200 0.115 0.000 2.606 322 E HA 0.102 4.408 4.350 -0.072 0.000 0.224 322 E C 0.902 177.526 176.600 0.041 0.000 0.930 322 E CA -0.149 56.298 56.400 0.078 0.000 1.125 322 E CB 0.667 30.386 29.700 0.030 0.000 1.123 322 E HN 0.203 nan 8.360 nan 0.000 0.522 323 R N 0.568 121.102 120.500 0.057 0.000 2.335 323 R HA 0.188 4.484 4.340 -0.072 0.000 0.210 323 R C 0.458 176.786 176.300 0.047 0.000 0.892 323 R CA -0.043 56.074 56.100 0.028 0.000 1.048 323 R CB 0.995 31.304 30.300 0.016 0.000 1.067 323 R HN -0.122 nan 8.270 nan 0.000 0.524 324 V N 1.905 121.882 119.914 0.105 0.000 2.775 324 V HA 0.097 4.173 4.120 -0.072 0.000 0.299 324 V C 0.573 176.767 176.094 0.167 0.000 1.062 324 V CA 0.088 62.452 62.300 0.107 0.000 1.063 324 V CB 1.440 33.311 31.823 0.080 0.000 0.994 324 V HN 0.310 nan 8.190 nan 0.000 0.483 325 T N 2.077 116.682 114.554 0.085 0.000 3.068 325 T HA 0.595 4.902 4.350 -0.072 0.000 0.364 325 T C -0.564 174.142 174.700 0.010 0.000 1.161 325 T CA -0.432 61.705 62.100 0.063 0.000 1.155 325 T CB 0.033 68.896 68.868 -0.008 0.000 1.060 325 T HN 0.311 nan 8.240 nan 0.000 0.513 326 I N 3.107 123.686 120.570 0.015 0.000 2.882 326 I HA 0.602 4.728 4.170 -0.072 0.000 0.286 326 I C 0.703 176.735 176.117 -0.143 0.000 1.139 326 I CA -0.662 60.580 61.300 -0.098 0.000 1.379 326 I CB 0.685 38.631 38.000 -0.091 0.000 1.410 326 I HN 0.775 nan 8.210 nan 0.000 0.594 327 R N 3.116 123.435 120.500 -0.303 0.000 2.709 327 R HA 0.549 4.846 4.340 -0.072 0.000 0.270 327 R C -2.276 173.741 176.300 -0.472 0.000 1.038 327 R CA -0.815 55.133 56.100 -0.253 0.000 0.872 327 R CB 0.928 31.179 30.300 -0.083 0.000 1.259 327 R HN 0.314 nan 8.270 nan 0.000 0.473 328 F N 1.115 121.133 119.950 0.114 0.000 2.529 328 F HA 0.653 5.137 4.527 -0.071 0.000 0.320 328 F C 1.292 177.186 175.800 0.158 0.000 1.118 328 F CA 0.448 58.561 58.000 0.188 0.000 0.915 328 F CB 2.160 41.289 39.000 0.216 0.000 1.161 328 F HN 1.008 nan 8.300 nan 0.000 0.445 329 G N 2.529 111.488 108.800 0.266 0.000 2.634 329 G HA2 -0.290 3.627 3.960 -0.072 0.000 0.318 329 G HA3 -0.290 3.627 3.960 -0.072 0.000 0.318 329 G C 0.544 175.406 174.900 -0.064 0.000 1.207 329 G CA 0.572 45.562 45.100 -0.184 0.000 0.987 329 G HN 0.595 nan 8.290 nan 0.000 0.547 330 E N 0.505 120.670 120.200 -0.058 0.000 2.685 330 E HA 0.422 4.728 4.350 -0.072 0.000 0.208 330 E C -0.304 176.302 176.600 0.011 0.000 0.996 330 E CA 0.183 56.567 56.400 -0.026 0.000 1.054 330 E CB 1.180 30.855 29.700 -0.042 0.000 1.075 330 E HN 0.426 nan 8.360 nan 0.000 0.460 331 V N 0.611 120.558 119.914 0.055 0.000 2.588 331 V HA 0.284 4.361 4.120 -0.072 0.000 0.304 331 V C -0.070 176.074 176.094 0.082 0.000 1.042 331 V CA -1.048 61.297 62.300 0.074 0.000 0.877 331 V CB 2.497 34.388 31.823 0.113 0.000 0.996 331 V HN 0.080 nan 8.190 nan 0.000 0.425 332 E N 2.671 122.894 120.200 0.038 0.000 2.167 332 E HA 0.429 4.736 4.350 -0.072 0.000 0.284 332 E C 0.284 176.891 176.600 0.012 0.000 1.016 332 E CA -0.453 55.951 56.400 0.008 0.000 0.817 332 E CB 1.663 31.344 29.700 -0.031 0.000 1.080 332 E HN 0.724 nan 8.360 nan 0.000 0.397 333 V N 2.667 122.595 119.914 0.023 0.000 3.319 333 V HA 0.348 4.424 4.120 -0.072 0.000 0.317 333 V C -0.632 175.274 176.094 -0.314 0.000 1.411 333 V CA -0.427 61.868 62.300 -0.009 0.000 1.112 333 V CB -0.577 31.404 31.823 0.263 0.000 1.031 333 V HN 0.601 nan 8.190 nan 0.000 0.448 334 Y N 0.857 120.892 120.300 -0.443 0.000 2.330 334 Y HA 0.751 5.276 4.550 -0.041 0.000 0.324 334 Y C -3.081 172.612 175.900 -0.344 0.000 1.093 334 Y CA -2.376 55.345 58.100 -0.632 0.000 1.103 334 Y CB 2.350 40.366 38.460 -0.741 0.000 1.183 334 Y HN 0.070 nan 8.280 nan 0.000 0.433 335 P HA 0.222 nan 4.420 nan 0.000 0.274 335 P C -2.476 174.542 177.300 -0.470 0.000 1.264 335 P CA -0.634 61.911 63.100 -0.924 0.000 0.795 335 P CB 0.131 31.441 31.700 -0.650 0.000 1.064 345 D N -0.384 120.025 120.400 0.014 0.000 3.054 345 D HA 0.654 5.251 4.640 -0.072 0.000 0.209 345 D C 2.296 178.605 176.300 0.015 0.000 1.527 345 D CA 1.543 55.551 54.000 0.014 0.000 1.427 345 D CB -0.790 40.016 40.800 0.010 0.000 1.059 345 D HN 1.070 nan 8.370 nan 0.000 0.243 346 A N 0.186 123.013 122.820 0.012 0.000 2.042 346 A HA -0.005 4.271 4.320 -0.072 0.000 0.222 346 A C 2.352 179.946 177.584 0.017 0.000 1.167 346 A CA 1.586 53.630 52.037 0.013 0.000 0.649 346 A CB -0.884 18.122 19.000 0.010 0.000 0.809 346 A HN 0.537 nan 8.150 nan 0.000 0.457 347 L N -1.347 119.888 121.223 0.020 0.000 1.955 347 L HA -0.284 4.012 4.340 -0.072 0.000 0.213 347 L C 3.332 180.224 176.870 0.038 0.000 1.072 347 L CA 2.115 56.972 54.840 0.029 0.000 0.755 347 L CB -1.036 41.041 42.059 0.029 0.000 0.888 347 L HN 0.557 nan 8.230 nan 0.000 0.432 348 R N 0.324 120.847 120.500 0.038 0.000 2.153 348 R HA -0.212 4.085 4.340 -0.072 0.000 0.252 348 R C 2.202 178.517 176.300 0.025 0.000 1.158 348 R CA 1.926 58.049 56.100 0.038 0.000 0.975 348 R CB -1.928 28.392 30.300 0.034 0.000 0.871 348 R HN 0.590 nan 8.270 nan 0.000 0.450 349 A N 0.209 123.042 122.820 0.022 0.000 2.070 349 A HA 0.268 4.544 4.320 -0.072 0.000 0.220 349 A C 2.750 180.349 177.584 0.025 0.000 1.159 349 A CA 1.774 53.821 52.037 0.016 0.000 0.656 349 A CB -0.582 18.426 19.000 0.014 0.000 0.800 349 A HN 0.986 nan 8.150 nan 0.000 0.453 350 A N -0.674 122.167 122.820 0.036 0.000 1.903 350 A HA 0.129 4.406 4.320 -0.072 0.000 0.213 350 A C 2.117 179.752 177.584 0.084 0.000 1.185 350 A CA 1.327 53.394 52.037 0.050 0.000 0.628 350 A CB -0.756 18.270 19.000 0.042 0.000 0.830 350 A HN 0.366 nan 8.150 nan 0.000 0.446 351 V N 0.273 120.237 119.914 0.082 0.000 2.469 351 V HA -0.256 3.820 4.120 -0.072 0.000 0.251 351 V C 2.962 179.061 176.094 0.007 0.000 1.064 351 V CA 1.884 64.239 62.300 0.092 0.000 1.066 351 V CB -1.322 30.533 31.823 0.053 0.000 0.667 351 V HN 0.595 nan 8.190 nan 0.000 0.461 352 A N -0.407 122.405 122.820 -0.014 0.000 1.841 352 A HA -0.167 4.110 4.320 -0.072 0.000 0.214 352 A C 2.245 179.819 177.584 -0.018 0.000 1.195 352 A CA 1.453 53.462 52.037 -0.046 0.000 0.611 352 A CB -0.491 18.488 19.000 -0.035 0.000 0.835 352 A HN 0.452 nan 8.150 nan 0.000 0.443 353 E N -0.637 119.575 120.200 0.021 0.000 2.118 353 E HA -0.242 4.064 4.350 -0.072 0.000 0.195 353 E C 1.850 178.496 176.600 0.077 0.000 0.992 353 E CA 1.742 58.163 56.400 0.036 0.000 0.804 353 E CB -0.443 29.282 29.700 0.043 0.000 0.741 353 E HN 0.844 nan 8.360 nan 0.000 0.458 354 H N 0.182 119.253 119.070 0.001 0.000 2.363 354 H HA -0.017 4.496 4.556 -0.073 0.000 0.301 354 H C 1.693 177.029 175.328 0.013 0.000 1.074 354 H CA 0.994 57.054 56.048 0.022 0.000 1.354 354 H CB -0.282 29.511 29.762 0.051 0.000 1.397 354 H HN 0.013 nan 8.280 nan 0.000 0.516 355 L N 0.514 121.648 121.223 -0.149 0.000 2.675 355 L HA 0.073 4.370 4.340 -0.072 0.000 0.238 355 L C 1.357 178.135 176.870 -0.154 0.000 1.155 355 L CA 0.912 55.612 54.840 -0.233 0.000 0.881 355 L CB -0.064 41.850 42.059 -0.242 0.000 1.008 355 L HN 0.238 nan 8.230 nan 0.000 0.443 356 R N -1.508 118.932 120.500 -0.100 0.000 2.508 356 R HA 0.294 4.591 4.340 -0.072 0.000 0.300 356 R C 0.820 177.092 176.300 -0.047 0.000 0.970 356 R CA 0.148 56.205 56.100 -0.072 0.000 1.102 356 R CB 0.666 30.936 30.300 -0.051 0.000 1.246 356 R HN 0.267 nan 8.270 nan 0.000 0.539 357 G N 0.110 108.880 108.800 -0.049 0.000 2.537 357 G HA2 0.066 3.982 3.960 -0.072 0.000 0.297 357 G HA3 0.066 3.982 3.960 -0.072 0.000 0.297 357 G C -0.048 174.844 174.900 -0.014 0.000 1.310 357 G CA -0.394 44.700 45.100 -0.010 0.000 1.027 357 G HN -0.146 nan 8.290 nan 0.000 0.505 358 D N -0.180 120.227 120.400 0.011 0.000 2.117 358 D HA -0.008 4.588 4.640 -0.072 0.000 0.198 358 D C 0.690 177.001 176.300 0.017 0.000 0.982 358 D CA 1.125 55.134 54.000 0.014 0.000 0.828 358 D CB 0.215 41.026 40.800 0.018 0.000 0.967 358 D HN 0.599 nan 8.370 nan 0.000 0.464 359 E N 0.587 120.807 120.200 0.033 0.000 2.182 359 E HA 0.413 4.720 4.350 -0.072 0.000 0.258 359 E C -0.794 175.843 176.600 0.061 0.000 0.879 359 E CA -0.490 55.943 56.400 0.054 0.000 0.754 359 E CB 2.593 32.337 29.700 0.074 0.000 1.162 359 E HN -0.196 nan 8.360 nan 0.000 0.419 360 V N 2.500 122.407 119.914 -0.011 0.000 2.785 360 V HA 0.284 4.361 4.120 -0.072 0.000 0.300 360 V C 0.042 176.227 176.094 0.152 0.000 1.062 360 V CA -0.702 61.522 62.300 -0.127 0.000 1.029 360 V CB 1.800 33.556 31.823 -0.112 0.000 1.024 360 V HN 0.485 nan 8.190 nan 0.000 0.477 361 V N 4.717 124.855 119.914 0.373 0.000 2.482 361 V HA 0.476 4.552 4.120 -0.072 0.000 0.295 361 V C -0.458 175.767 176.094 0.219 0.000 1.026 361 V CA -0.285 62.197 62.300 0.303 0.000 0.856 361 V CB 1.692 33.682 31.823 0.278 0.000 1.001 361 V HN 0.649 nan 8.190 nan 0.000 0.424 362 I N 4.193 124.807 120.570 0.074 0.000 2.354 362 I HA 0.642 4.768 4.170 -0.072 0.000 0.292 362 I C 0.760 176.825 176.117 -0.087 0.000 0.989 362 I CA -0.174 61.071 61.300 -0.092 0.000 1.188 362 I CB 1.788 39.727 38.000 -0.102 0.000 1.342 362 I HN 0.688 nan 8.210 nan 0.000 0.457 363 G N 7.249 115.968 108.800 -0.136 0.000 2.416 363 G HA2 0.770 4.687 3.960 -0.072 0.000 0.324 363 G HA3 0.770 4.687 3.960 -0.072 0.000 0.324 363 G C -0.881 173.958 174.900 -0.101 0.000 1.194 363 G CA -0.361 44.688 45.100 -0.086 0.000 0.922 363 G HN 0.480 nan 8.290 nan 0.000 0.467 364 I N 1.980 122.510 120.570 -0.067 0.000 2.499 364 I HA 0.302 4.429 4.170 -0.072 0.000 0.288 364 I C -1.360 174.737 176.117 -0.033 0.000 1.048 364 I CA -0.714 60.552 61.300 -0.056 0.000 1.062 364 I CB 2.583 40.550 38.000 -0.056 0.000 1.238 364 I HN 0.339 nan 8.210 nan 0.000 0.426 365 D N 6.964 127.350 120.400 -0.023 0.000 2.481 365 D HA 0.327 4.923 4.640 -0.072 0.000 0.246 365 D C 0.445 176.742 176.300 -0.005 0.000 1.109 365 D CA -0.404 53.588 54.000 -0.013 0.000 0.845 365 D CB 2.015 42.807 40.800 -0.013 0.000 1.160 365 D HN 0.459 nan 8.370 nan 0.000 0.534 366 L N 2.882 124.102 121.223 -0.004 0.000 2.418 366 L HA 0.187 4.484 4.340 -0.072 0.000 0.218 366 L C 1.202 178.074 176.870 0.003 0.000 1.125 366 L CA 0.399 55.239 54.840 0.000 0.000 0.835 366 L CB -0.383 41.674 42.059 -0.004 0.000 0.953 366 L HN 0.653 nan 8.230 nan 0.000 0.454 367 A N 0.688 123.508 122.820 -0.000 0.000 2.301 367 A HA -0.184 4.093 4.320 -0.072 0.000 0.283 367 A C 0.574 178.157 177.584 -0.001 0.000 1.419 367 A CA 0.880 52.916 52.037 -0.001 0.000 0.730 367 A CB -1.910 17.089 19.000 -0.001 0.000 1.161 367 A HN 0.499 nan 8.150 nan 0.000 0.356 368 I N -2.075 118.495 120.570 -0.001 0.000 5.061 368 I HA 0.538 4.665 4.170 -0.072 0.000 0.336 368 I C 0.892 177.008 176.117 -0.001 0.000 1.247 368 I CA 0.646 61.945 61.300 -0.001 0.000 1.418 368 I CB 0.641 38.641 38.000 -0.000 0.000 1.467 368 I HN 1.231 nan 8.210 nan 0.000 0.510 369 A N 0.434 123.254 122.820 0.000 0.000 2.552 369 A HA 0.520 4.797 4.320 -0.072 0.000 0.308 369 A C -0.557 177.028 177.584 0.002 0.000 1.114 369 A CA 0.351 52.389 52.037 0.001 0.000 0.610 369 A CB -0.337 18.665 19.000 0.003 0.000 1.402 369 A HN 0.030 nan 8.150 nan 0.000 0.563 370 D N -0.047 120.355 120.400 0.003 0.000 2.325 370 D HA 0.449 5.045 4.640 -0.072 0.000 0.225 370 D C 0.836 177.142 176.300 0.010 0.000 1.096 370 D CA 0.679 54.681 54.000 0.003 0.000 0.844 370 D CB -0.202 40.599 40.800 0.001 0.000 0.925 370 D HN 1.354 nan 8.370 nan 0.000 0.513 371 G N -0.459 108.350 108.800 0.015 0.000 2.378 371 G HA2 0.563 4.480 3.960 -0.072 0.000 0.255 371 G HA3 0.563 4.480 3.960 -0.072 0.000 0.255 371 G C -0.043 174.879 174.900 0.036 0.000 1.270 371 G CA 0.649 45.766 45.100 0.028 0.000 0.876 371 G HN 1.118 nan 8.290 nan 0.000 0.521 372 A N 1.588 124.443 122.820 0.058 0.000 2.555 372 A HA 0.731 5.007 4.320 -0.072 0.000 0.297 372 A C -1.740 175.917 177.584 0.120 0.000 1.060 372 A CA -0.557 51.518 52.037 0.064 0.000 0.710 372 A CB 1.323 20.333 19.000 0.018 0.000 1.282 372 A HN 1.024 nan 8.150 nan 0.000 0.399 373 F N 0.377 120.297 119.950 -0.051 0.000 2.645 373 F HA 0.792 5.274 4.527 -0.075 0.000 0.310 373 F C -0.290 175.450 175.800 -0.101 0.000 1.102 373 F CA 0.022 57.983 58.000 -0.065 0.000 0.952 373 F CB 2.439 41.401 39.000 -0.064 0.000 1.326 373 F HN 0.574 nan 8.300 nan 0.000 0.456 374 T N 3.135 117.692 114.554 0.004 0.000 2.876 374 T HA 0.687 4.994 4.350 -0.072 0.000 0.289 374 T C -1.433 173.177 174.700 -0.149 0.000 1.014 374 T CA -0.588 61.448 62.100 -0.107 0.000 0.986 374 T CB 1.653 70.361 68.868 -0.268 0.000 1.021 374 T HN 0.647 nan 8.240 nan 0.000 0.458 375 V N 0.633 120.368 119.914 -0.297 0.000 2.760 375 V HA 0.729 4.805 4.120 -0.072 0.000 0.309 375 V C -1.811 174.020 176.094 -0.437 0.000 1.077 375 V CA -1.231 60.876 62.300 -0.322 0.000 0.910 375 V CB 1.209 32.982 31.823 -0.083 0.000 1.008 375 V HN 0.860 nan 8.190 nan 0.000 0.424 376 Y N 2.611 122.923 120.300 0.020 0.000 2.360 376 Y HA 0.922 5.429 4.550 -0.072 0.000 0.337 376 Y C 0.918 176.816 175.900 -0.004 0.000 1.039 376 Y CA 0.164 58.265 58.100 0.001 0.000 1.109 376 Y CB 2.323 40.769 38.460 -0.023 0.000 1.201 376 Y HN 1.098 nan 8.280 nan 0.000 0.458 377 G N 0.114 109.004 108.800 0.150 0.000 3.085 377 G HA2 0.653 4.570 3.960 -0.072 0.000 0.264 377 G HA3 0.653 4.570 3.960 -0.072 0.000 0.264 377 G C -1.305 173.632 174.900 0.061 0.000 1.206 377 G CA -0.460 44.685 45.100 0.075 0.000 0.809 377 G HN 1.014 nan 8.290 nan 0.000 0.592 378 C N -0.534 118.782 119.300 0.027 0.000 3.321 378 C HA 0.742 5.158 4.460 -0.072 0.000 0.329 378 C C -1.026 173.966 174.990 0.003 0.000 1.394 378 C CA -0.631 58.400 59.018 0.022 0.000 1.291 378 C CB 1.225 28.976 27.740 0.019 0.000 1.606 378 C HN 0.970 nan 8.230 nan 0.000 0.463 379 D N 0.545 120.957 120.400 0.021 0.000 2.360 379 D HA 0.399 4.996 4.640 -0.072 0.000 0.242 379 D C -0.589 175.679 176.300 -0.054 0.000 1.184 379 D CA -0.416 53.599 54.000 0.025 0.000 0.930 379 D CB 0.706 41.576 40.800 0.117 0.000 1.161 379 D HN 0.689 nan 8.370 nan 0.000 0.447 380 L N 1.273 122.438 121.223 -0.098 0.000 2.321 380 L HA 0.268 4.565 4.340 -0.072 0.000 0.272 380 L C 0.100 176.776 176.870 -0.324 0.000 1.050 380 L CA -0.190 54.538 54.840 -0.185 0.000 0.893 380 L CB 0.176 42.139 42.059 -0.160 0.000 1.272 380 L HN 0.638 nan 8.230 nan 0.000 0.435 381 T N -0.713 113.628 114.554 -0.355 0.000 2.874 381 T HA 0.279 4.586 4.350 -0.072 0.000 0.281 381 T C 0.867 175.437 174.700 -0.216 0.000 0.994 381 T CA -0.499 61.271 62.100 -0.550 0.000 1.015 381 T CB 0.906 69.579 68.868 -0.325 0.000 1.028 381 T HN 0.595 nan 8.240 nan 0.000 0.523 382 E N 0.681 120.779 120.200 -0.170 0.000 2.472 382 E HA 0.030 4.337 4.350 -0.072 0.000 0.200 382 E C 2.058 178.652 176.600 -0.009 0.000 1.046 382 E CA 0.572 56.945 56.400 -0.046 0.000 0.871 382 E CB -0.453 29.239 29.700 -0.012 0.000 0.806 382 E HN 0.892 nan 8.360 nan 0.000 0.533 383 G N 0.479 109.273 108.800 -0.009 0.000 2.394 383 G HA2 -0.289 3.627 3.960 -0.072 0.000 0.214 383 G HA3 -0.289 3.627 3.960 -0.072 0.000 0.214 383 G C 1.315 176.233 174.900 0.031 0.000 1.176 383 G CA 0.399 45.506 45.100 0.013 0.000 0.786 383 G HN 0.297 nan 8.290 nan 0.000 0.533 384 Y N 1.391 121.656 120.300 -0.059 0.000 2.128 384 Y HA -0.168 4.339 4.550 -0.071 0.000 0.284 384 Y C 2.855 178.731 175.900 -0.040 0.000 1.154 384 Y CA 1.764 59.837 58.100 -0.046 0.000 1.149 384 Y CB -0.279 38.149 38.460 -0.053 0.000 0.976 384 Y HN 0.036 nan 8.280 nan 0.000 0.505 385 V N 0.690 120.703 119.914 0.164 0.000 2.343 385 V HA -0.319 3.757 4.120 -0.072 0.000 0.247 385 V C 2.485 178.565 176.094 -0.023 0.000 1.051 385 V CA 2.347 64.696 62.300 0.081 0.000 1.036 385 V CB -0.795 31.070 31.823 0.069 0.000 0.654 385 V HN 0.336 nan 8.190 nan 0.000 0.451 386 R N -0.385 120.100 120.500 -0.025 0.000 2.066 386 R HA -0.125 4.171 4.340 -0.072 0.000 0.232 386 R C 2.194 178.451 176.300 -0.072 0.000 1.131 386 R CA 1.547 57.624 56.100 -0.038 0.000 0.955 386 R CB -0.303 29.984 30.300 -0.022 0.000 0.851 386 R HN 0.365 nan 8.270 nan 0.000 0.432 387 L N 1.104 122.263 121.223 -0.106 0.000 2.201 387 L HA -0.099 4.198 4.340 -0.072 0.000 0.212 387 L C 1.265 178.029 176.870 -0.177 0.000 1.105 387 L CA 1.424 56.185 54.840 -0.132 0.000 0.775 387 L CB -0.237 41.736 42.059 -0.142 0.000 0.913 387 L HN 0.227 nan 8.230 nan 0.000 0.440 388 N N -1.221 117.328 118.700 -0.252 0.000 2.230 388 N HA 0.142 4.839 4.740 -0.072 0.000 0.202 388 N C 0.893 176.322 175.510 -0.135 0.000 1.119 388 N CA 0.744 53.646 53.050 -0.246 0.000 0.851 388 N CB 0.450 38.675 38.487 -0.438 0.000 0.990 388 N HN 0.285 nan 8.380 nan 0.000 0.497 389 S N 0.149 115.791 115.700 -0.096 0.000 2.484 389 S HA 0.497 4.923 4.470 -0.072 0.000 0.242 389 S C 0.527 175.098 174.600 -0.048 0.000 1.158 389 S CA -0.273 57.893 58.200 -0.057 0.000 1.162 389 S CB -0.023 63.155 63.200 -0.038 0.000 0.850 389 S HN 0.342 nan 8.310 nan 0.000 0.477 390 E N 0.000 120.167 120.200 -0.054 0.000 2.725 390 E HA 0.000 4.307 4.350 -0.072 0.000 0.291 390 E CA 0.000 56.375 56.400 -0.042 0.000 0.976 390 E CB 0.000 29.674 29.700 -0.043 0.000 0.812 390 E HN 0.000 nan 8.360 nan 0.000 0.440