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 1gvy_1_A DATA FIRST_RESID 43 DATA SEQUENCE KPVTVKLVDS QATMETRSLF AFMQEQRRHS IMFGHQHETT QGLTITRTDG DATA SEQUENCE TQSDTFNAVG DFAAVYGWDT LSIVAPKAEG DIVAQVKKAY ARGGIITVSS DATA SEQUENCE HFDNPKTDTQ KGVWPVGTSW DQTPAVVDSL PGGAYNPVLN GYLDQVAEWA DATA SEQUENCE NNLKDEQGRL IPVIFRLYHA NTGSWFWWGD KQSTPEQYKQ LFRYSVEYLR DATA SEQUENCE DVKGVRNFLY AYSPNNFWDV TEANYLERYP GDEWVDVLGF DTYGPVADNA DATA SEQUENCE DWFRNVVANA ALVARMAEAR GKIPVISEIG IRAPDIEAGL YDNQWYRKLI DATA SEQUENCE SGLKADPDAR EIAFLLVWRN APQGVPGXXX TQVPHYWVPA NRPENINNGT DATA SEQUENCE LEDFQAFYAD EFTAFNRDIE QVYQRPTLI 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 43 K HA 0.000 nan 4.320 nan 0.000 0.191 43 K C 0.000 176.623 176.600 0.039 0.000 0.988 43 K CA 0.000 56.305 56.287 0.031 0.000 0.838 43 K CB 0.000 32.516 32.500 0.026 0.000 1.064 44 P HA 0.539 nan 4.420 nan 0.000 0.271 44 P C -0.665 176.665 177.300 0.049 0.000 1.216 44 P CA -0.607 62.521 63.100 0.046 0.000 0.776 44 P CB 1.472 33.195 31.700 0.040 0.000 0.881 45 V N 2.094 122.045 119.914 0.062 0.000 2.914 45 V HA 0.473 4.593 4.120 -0.000 0.000 0.314 45 V C -0.487 175.652 176.094 0.074 0.000 1.084 45 V CA -0.428 61.913 62.300 0.068 0.000 0.963 45 V CB 2.411 34.283 31.823 0.080 0.000 1.025 45 V HN 0.576 nan 8.190 nan 0.000 0.432 46 T N 5.027 119.623 114.554 0.069 0.000 2.806 46 T HA 0.598 4.948 4.350 -0.000 0.000 0.290 46 T C -0.464 174.283 174.700 0.079 0.000 0.966 46 T CA -0.082 62.053 62.100 0.059 0.000 1.060 46 T CB 1.056 69.950 68.868 0.044 0.000 0.927 46 T HN 1.068 nan 8.240 nan 0.000 0.485 47 V N 1.153 121.097 119.914 0.050 0.000 2.823 47 V HA 0.751 4.871 4.120 -0.000 0.000 0.312 47 V C -0.708 175.329 176.094 -0.096 0.000 1.072 47 V CA -1.187 61.121 62.300 0.013 0.000 0.937 47 V CB 2.044 33.875 31.823 0.013 0.000 1.013 47 V HN 0.788 nan 8.190 nan 0.000 0.430 48 K N 4.148 124.441 120.400 -0.177 0.000 2.507 48 K HA 0.661 4.981 4.320 -0.000 0.000 0.253 48 K C -1.409 175.014 176.600 -0.294 0.000 0.969 48 K CA -0.624 55.565 56.287 -0.164 0.000 0.908 48 K CB 1.233 33.691 32.500 -0.071 0.000 1.127 48 K HN 0.873 nan 8.250 nan 0.000 0.437 49 L N 3.664 124.729 121.223 -0.263 0.000 2.352 49 L HA 0.333 4.673 4.340 -0.000 0.000 0.269 49 L C 1.693 178.517 176.870 -0.077 0.000 1.034 49 L CA -0.928 53.778 54.840 -0.223 0.000 0.806 49 L CB 1.649 43.606 42.059 -0.170 0.000 1.244 49 L HN 0.387 nan 8.230 nan 0.000 0.447 50 V N -0.383 119.545 119.914 0.024 0.000 2.324 50 V HA -0.231 3.889 4.120 -0.000 0.000 0.250 50 V C 0.700 176.798 176.094 0.008 0.000 1.060 50 V CA 1.717 64.030 62.300 0.022 0.000 1.042 50 V CB -0.507 31.430 31.823 0.190 0.000 0.650 50 V HN 0.821 nan 8.190 nan 0.000 0.450 51 D N -0.435 120.027 120.400 0.103 0.000 2.411 51 D HA 0.134 4.773 4.640 -0.000 0.000 0.225 51 D C 1.257 177.567 176.300 0.016 0.000 1.156 51 D CA 0.521 54.570 54.000 0.082 0.000 0.874 51 D CB 1.250 42.150 40.800 0.166 0.000 1.034 51 D HN 0.285 nan 8.370 nan 0.000 0.502 52 S N 2.712 118.399 115.700 -0.021 0.000 2.555 52 S HA -0.120 4.350 4.470 -0.000 0.000 0.230 52 S C 0.957 175.547 174.600 -0.017 0.000 0.978 52 S CA 0.540 58.721 58.200 -0.032 0.000 0.934 52 S CB -0.124 63.048 63.200 -0.047 0.000 0.766 52 S HN 0.608 nan 8.310 nan 0.000 0.533 53 Q N 0.717 120.514 119.800 -0.005 0.000 2.155 53 Q HA 0.508 4.847 4.340 -0.000 0.000 0.220 53 Q C 0.319 176.323 176.000 0.006 0.000 0.819 53 Q CA -0.207 55.594 55.803 -0.004 0.000 1.032 53 Q CB 0.874 29.605 28.738 -0.011 0.000 1.151 53 Q HN 0.634 nan 8.270 nan 0.000 0.487 54 A N 1.543 124.375 122.820 0.020 0.000 2.492 54 A HA 0.205 4.524 4.320 -0.000 0.000 0.236 54 A C 0.807 178.408 177.584 0.029 0.000 1.078 54 A CA 0.015 52.073 52.037 0.035 0.000 0.773 54 A CB 0.115 19.151 19.000 0.060 0.000 1.023 54 A HN 0.346 nan 8.150 nan 0.000 0.504 55 T N 0.196 114.767 114.554 0.029 0.000 2.856 55 T HA 0.226 4.576 4.350 -0.000 0.000 0.306 55 T C 1.309 176.043 174.700 0.058 0.000 1.062 55 T CA -0.171 61.946 62.100 0.027 0.000 1.083 55 T CB 0.277 69.150 68.868 0.009 0.000 0.984 55 T HN 0.460 nan 8.240 nan 0.000 0.542 56 M N 0.616 120.250 119.600 0.057 0.000 2.213 56 M HA -0.056 4.424 4.480 -0.000 0.000 0.263 56 M C 2.061 178.439 176.300 0.130 0.000 1.062 56 M CA 1.568 56.917 55.300 0.082 0.000 1.105 56 M CB -1.367 31.273 32.600 0.067 0.000 1.385 56 M HN 0.739 nan 8.290 nan 0.000 0.417 57 E N -0.114 120.172 120.200 0.143 0.000 2.150 57 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 57 E C 2.000 178.784 176.600 0.306 0.000 0.985 57 E CA 1.540 58.086 56.400 0.243 0.000 0.814 57 E CB -0.405 29.409 29.700 0.190 0.000 0.752 57 E HN 0.426 nan 8.360 nan 0.000 0.466 58 T N 0.281 114.958 114.554 0.205 0.000 2.777 58 T HA -0.071 4.278 4.350 -0.000 0.000 0.266 58 T C 1.770 176.610 174.700 0.235 0.000 1.040 58 T CA 1.103 63.334 62.100 0.218 0.000 1.141 58 T CB -0.116 68.842 68.868 0.149 0.000 0.868 58 T HN 0.083 nan 8.240 nan 0.000 0.444 59 R N 0.958 121.566 120.500 0.179 0.000 2.081 59 R HA -0.028 4.312 4.340 -0.000 0.000 0.235 59 R C 2.921 179.363 176.300 0.238 0.000 1.131 59 R CA 1.398 57.601 56.100 0.172 0.000 0.960 59 R CB -0.522 29.842 30.300 0.106 0.000 0.856 59 R HN 0.244 nan 8.270 nan 0.000 0.436 60 S N 0.916 116.749 115.700 0.222 0.000 2.370 60 S HA -0.135 4.335 4.470 -0.000 0.000 0.226 60 S C 1.887 176.624 174.600 0.228 0.000 1.033 60 S CA 1.135 59.464 58.200 0.215 0.000 1.011 60 S CB -0.195 63.124 63.200 0.199 0.000 0.852 60 S HN 0.245 nan 8.310 nan 0.000 0.457 61 L N 0.806 122.180 121.223 0.252 0.000 2.012 61 L HA 0.006 4.346 4.340 -0.000 0.000 0.210 61 L C 1.943 178.989 176.870 0.293 0.000 1.073 61 L CA 2.160 57.123 54.840 0.206 0.000 0.748 61 L CB -1.174 41.065 42.059 0.300 0.000 0.891 61 L HN 0.468 nan 8.230 nan 0.000 0.431 62 F N 0.345 120.404 119.950 0.180 0.000 2.069 62 F HA -0.234 4.293 4.527 -0.001 0.000 0.298 62 F C 2.338 178.219 175.800 0.135 0.000 1.113 62 F CA 2.023 60.120 58.000 0.161 0.000 1.214 62 F CB -0.556 38.530 39.000 0.144 0.000 0.978 62 F HN 0.180 nan 8.300 nan 0.000 0.474 63 A N -0.147 122.883 122.820 0.350 0.000 1.933 63 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 63 A C 2.100 179.735 177.584 0.084 0.000 1.175 63 A CA 1.589 53.749 52.037 0.205 0.000 0.628 63 A CB -1.588 17.540 19.000 0.213 0.000 0.814 63 A HN 0.581 nan 8.150 nan 0.000 0.444 64 F N 0.329 120.285 119.950 0.010 0.000 2.102 64 F HA -0.186 4.341 4.527 -0.000 0.000 0.298 64 F C 2.277 178.051 175.800 -0.044 0.000 1.105 64 F CA 2.192 60.172 58.000 -0.034 0.000 1.239 64 F CB -0.292 38.655 39.000 -0.088 0.000 0.991 64 F HN 0.154 nan 8.300 nan 0.000 0.474 65 M N -0.314 119.243 119.600 -0.072 0.000 2.229 65 M HA -0.197 4.283 4.480 -0.000 0.000 0.264 65 M C 2.201 178.343 176.300 -0.264 0.000 1.063 65 M CA 1.181 56.377 55.300 -0.173 0.000 1.114 65 M CB -0.537 32.059 32.600 -0.007 0.000 1.387 65 M HN 0.211 nan 8.290 nan 0.000 0.420 66 Q N 0.250 119.888 119.800 -0.270 0.000 2.096 66 Q HA -0.221 4.119 4.340 -0.000 0.000 0.204 66 Q C 1.885 177.790 176.000 -0.158 0.000 0.982 66 Q CA 1.763 57.432 55.803 -0.222 0.000 0.850 66 Q CB -0.246 28.388 28.738 -0.173 0.000 0.901 66 Q HN 0.487 nan 8.270 nan 0.000 0.422 67 E N 0.674 120.764 120.200 -0.184 0.000 2.033 67 E HA -0.151 4.199 4.350 -0.000 0.000 0.189 67 E C 1.882 178.400 176.600 -0.137 0.000 0.979 67 E CA 1.205 57.525 56.400 -0.135 0.000 0.802 67 E CB -0.265 29.349 29.700 -0.145 0.000 0.763 67 E HN 0.169 nan 8.360 nan 0.000 0.449 68 Q N 1.406 120.962 119.800 -0.407 0.000 2.135 68 Q HA -0.246 4.094 4.340 -0.000 0.000 0.204 68 Q C 2.092 177.981 176.000 -0.185 0.000 0.981 68 Q CA 2.187 57.753 55.803 -0.395 0.000 0.856 68 Q CB -0.402 27.810 28.738 -0.877 0.000 0.902 68 Q HN 0.479 nan 8.270 nan 0.000 0.425 69 R N -0.293 120.100 120.500 -0.179 0.000 2.193 69 R HA -0.057 4.283 4.340 -0.000 0.000 0.229 69 R C 1.468 177.708 176.300 -0.099 0.000 1.110 69 R CA 1.057 57.081 56.100 -0.127 0.000 0.988 69 R CB -0.323 29.911 30.300 -0.111 0.000 0.871 69 R HN 0.120 nan 8.270 nan 0.000 0.458 70 R N -0.062 120.373 120.500 -0.109 0.000 2.388 70 R HA 0.135 4.475 4.340 -0.000 0.000 0.247 70 R C 0.411 176.496 176.300 -0.358 0.000 0.931 70 R CA 0.091 56.084 56.100 -0.179 0.000 1.082 70 R CB 0.302 30.469 30.300 -0.222 0.000 1.135 70 R HN 0.460 nan 8.270 nan 0.000 0.525 71 H N -1.600 117.429 119.070 -0.067 0.000 3.440 71 H HA 0.191 4.747 4.556 -0.000 0.000 0.259 71 H C 0.357 175.440 175.328 -0.409 0.000 1.120 71 H CA 0.362 56.370 56.048 -0.066 0.000 1.191 71 H CB 1.209 30.920 29.762 -0.084 0.000 1.537 71 H HN 0.129 nan 8.280 nan 0.000 0.547 72 S N 0.167 115.434 115.700 -0.721 0.000 2.636 72 S HA 0.505 4.975 4.470 -0.000 0.000 0.266 72 S C -1.333 172.749 174.600 -0.862 0.000 1.147 72 S CA -0.906 56.596 58.200 -1.163 0.000 0.815 72 S CB 1.715 64.648 63.200 -0.446 0.000 1.119 72 S HN 0.072 nan 8.310 nan 0.000 0.470 73 I N 1.350 121.560 120.570 -0.599 0.000 2.439 73 I HA 0.339 4.509 4.170 -0.000 0.000 0.285 73 I C -0.280 175.823 176.117 -0.023 0.000 1.021 73 I CA -0.672 60.536 61.300 -0.154 0.000 1.091 73 I CB 1.775 39.793 38.000 0.029 0.000 1.242 73 I HN 0.581 nan 8.210 nan 0.000 0.439 74 M N 5.216 124.862 119.600 0.077 0.000 2.238 74 M HA 0.200 4.680 4.480 -0.000 0.000 0.347 74 M C -0.504 175.889 176.300 0.156 0.000 1.173 74 M CA 0.071 55.435 55.300 0.106 0.000 1.147 74 M CB 0.683 33.369 32.600 0.143 0.000 1.547 74 M HN 0.375 nan 8.290 nan 0.000 0.455 75 F N 1.544 121.396 119.950 -0.164 0.000 2.411 75 F HA 0.618 5.145 4.527 -0.001 0.000 0.350 75 F C 0.265 175.976 175.800 -0.147 0.000 1.114 75 F CA -0.532 57.379 58.000 -0.149 0.000 1.135 75 F CB 0.721 39.361 39.000 -0.599 0.000 1.120 75 F HN 0.478 nan 8.300 nan 0.000 0.495 76 G N 4.365 112.666 108.800 -0.833 0.000 2.432 76 G HA2 0.428 4.387 3.960 -0.000 0.000 0.331 76 G HA3 0.428 4.387 3.960 -0.000 0.000 0.331 76 G C -2.076 172.289 174.900 -0.891 0.000 1.170 76 G CA -0.568 44.076 45.100 -0.761 0.000 0.943 76 G HN 0.865 nan 8.290 nan 0.000 0.483 77 H N 0.617 119.275 119.070 -0.687 0.000 3.042 77 H HA 0.303 4.858 4.556 -0.000 0.000 0.345 77 H C -0.961 174.098 175.328 -0.448 0.000 1.052 77 H CA -0.700 55.073 56.048 -0.458 0.000 1.311 77 H CB 2.271 31.866 29.762 -0.278 0.000 1.810 77 H HN 0.482 nan 8.280 nan 0.000 0.505 78 Q N 2.463 121.938 119.800 -0.542 0.000 2.364 78 Q HA 0.060 4.400 4.340 -0.000 0.000 0.267 78 Q C -0.289 175.162 176.000 -0.915 0.000 0.999 78 Q CA 0.707 56.006 55.803 -0.840 0.000 0.886 78 Q CB 0.019 28.051 28.738 -1.177 0.000 1.243 78 Q HN 0.853 nan 8.270 nan 0.000 0.415 79 H N 1.172 119.671 119.070 -0.952 0.000 2.741 79 H HA -0.233 4.323 4.556 -0.000 0.000 0.305 79 H C 0.771 175.800 175.328 -0.499 0.000 1.169 79 H CA 0.724 56.408 56.048 -0.606 0.000 1.144 79 H CB -0.591 28.990 29.762 -0.301 0.000 1.397 79 H HN 0.794 nan 8.280 nan 0.000 0.409 80 E N 0.554 120.399 120.200 -0.592 0.000 2.049 80 E HA -0.163 4.187 4.350 -0.000 0.000 0.198 80 E C 2.057 178.742 176.600 0.143 0.000 1.007 80 E CA 2.379 58.642 56.400 -0.229 0.000 0.809 80 E CB 0.005 29.538 29.700 -0.278 0.000 0.749 80 E HN 0.616 nan 8.360 nan 0.000 0.450 81 T N -3.435 111.285 114.554 0.277 0.000 3.134 81 T HA 0.173 4.522 4.350 -0.000 0.000 0.260 81 T C 1.106 176.022 174.700 0.361 0.000 1.027 81 T CA 0.357 62.685 62.100 0.380 0.000 0.913 81 T CB 0.105 69.226 68.868 0.422 0.000 1.046 81 T HN 0.217 nan 8.240 nan 0.000 0.553 82 T N -1.605 113.190 114.554 0.401 0.000 2.971 82 T HA 0.337 4.687 4.350 -0.000 0.000 0.252 82 T C 0.383 175.223 174.700 0.233 0.000 1.022 82 T CA -0.296 62.034 62.100 0.383 0.000 0.980 82 T CB 0.143 69.395 68.868 0.641 0.000 1.044 82 T HN 0.400 nan 8.240 nan 0.000 0.501 83 Q N 0.123 120.028 119.800 0.175 0.000 2.289 83 Q HA 0.651 4.991 4.340 -0.000 0.000 0.270 83 Q C -1.081 174.981 176.000 0.103 0.000 1.038 83 Q CA -1.015 54.831 55.803 0.072 0.000 0.812 83 Q CB 2.545 31.256 28.738 -0.045 0.000 1.300 83 Q HN 0.481 nan 8.270 nan 0.000 0.427 84 G N 0.797 109.648 108.800 0.085 0.000 2.667 84 G HA2 0.344 4.304 3.960 -0.000 0.000 0.294 84 G HA3 0.344 4.304 3.960 -0.000 0.000 0.294 84 G C -0.200 174.717 174.900 0.028 0.000 1.467 84 G CA -0.743 44.411 45.100 0.090 0.000 0.852 84 G HN 0.578 nan 8.290 nan 0.000 0.521 85 L N 0.257 121.467 121.223 -0.021 0.000 2.291 85 L HA 0.078 4.417 4.340 -0.000 0.000 0.214 85 L C 2.598 179.433 176.870 -0.058 0.000 1.120 85 L CA 1.836 56.626 54.840 -0.085 0.000 0.799 85 L CB 0.047 41.978 42.059 -0.214 0.000 0.925 85 L HN 0.722 nan 8.230 nan 0.000 0.446 86 T N -3.146 111.392 114.554 -0.026 0.000 3.084 86 T HA 0.293 4.643 4.350 -0.000 0.000 0.270 86 T C 0.452 175.163 174.700 0.019 0.000 1.008 86 T CA -0.501 61.592 62.100 -0.011 0.000 0.900 86 T CB -0.329 68.531 68.868 -0.015 0.000 1.084 86 T HN 0.177 nan 8.240 nan 0.000 0.538 87 I N 0.044 120.636 120.570 0.037 0.000 2.499 87 I HA 0.629 4.799 4.170 -0.000 0.000 0.296 87 I C 1.039 177.180 176.117 0.039 0.000 0.992 87 I CA -0.850 60.483 61.300 0.054 0.000 1.297 87 I CB 1.841 39.895 38.000 0.090 0.000 1.410 87 I HN 0.056 nan 8.210 nan 0.000 0.507 88 T N 1.369 115.946 114.554 0.038 0.000 3.054 88 T HA 0.380 4.730 4.350 -0.000 0.000 0.255 88 T C 0.642 175.362 174.700 0.033 0.000 1.035 88 T CA -0.283 61.834 62.100 0.028 0.000 0.941 88 T CB 0.006 68.886 68.868 0.020 0.000 1.026 88 T HN 0.732 nan 8.240 nan 0.000 0.533 89 R N 1.041 121.569 120.500 0.047 0.000 2.621 89 R HA 0.460 4.799 4.340 -0.000 0.000 0.284 89 R C -0.167 176.178 176.300 0.074 0.000 0.998 89 R CA -0.302 55.829 56.100 0.051 0.000 0.895 89 R CB 1.709 32.036 30.300 0.045 0.000 1.195 89 R HN 0.258 nan 8.270 nan 0.000 0.450 90 T N -2.964 111.634 114.554 0.074 0.000 3.243 90 T HA -0.005 4.345 4.350 -0.000 0.000 0.264 90 T C 0.583 175.343 174.700 0.100 0.000 1.000 90 T CA -0.360 61.802 62.100 0.103 0.000 0.901 90 T CB -0.161 68.763 68.868 0.093 0.000 1.083 90 T HN 0.590 nan 8.240 nan 0.000 0.559 91 D N 0.931 121.378 120.400 0.078 0.000 2.349 91 D HA 0.195 4.835 4.640 -0.000 0.000 0.224 91 D C 1.625 177.960 176.300 0.059 0.000 1.029 91 D CA 0.453 54.485 54.000 0.054 0.000 0.879 91 D CB -0.611 40.209 40.800 0.034 0.000 0.906 91 D HN 0.571 nan 8.370 nan 0.000 0.528 92 G N -0.078 108.789 108.800 0.112 0.000 2.179 92 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.220 92 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.220 92 G C 0.993 175.949 174.900 0.093 0.000 0.990 92 G CA 0.606 45.780 45.100 0.124 0.000 0.646 92 G HN 0.584 nan 8.290 nan 0.000 0.517 93 T N -2.527 112.094 114.554 0.111 0.000 3.040 93 T HA 0.517 4.867 4.350 -0.000 0.000 0.250 93 T C 0.687 175.532 174.700 0.241 0.000 1.058 93 T CA 0.898 63.070 62.100 0.120 0.000 0.988 93 T CB 0.532 69.438 68.868 0.062 0.000 0.993 93 T HN 0.524 nan 8.240 nan 0.000 0.519 94 Q N 0.974 120.939 119.800 0.274 0.000 2.451 94 Q HA 0.686 5.026 4.340 -0.000 0.000 0.281 94 Q C -1.189 175.033 176.000 0.370 0.000 1.099 94 Q CA -0.970 54.980 55.803 0.245 0.000 0.806 94 Q CB 2.514 31.324 28.738 0.118 0.000 1.419 94 Q HN 0.419 nan 8.270 nan 0.000 0.427 95 S N -0.856 115.022 115.700 0.296 0.000 2.570 95 S HA 0.291 4.760 4.470 -0.000 0.000 0.270 95 S C -0.490 174.243 174.600 0.222 0.000 1.149 95 S CA -0.698 57.693 58.200 0.318 0.000 0.837 95 S CB 1.382 64.870 63.200 0.480 0.000 1.124 95 S HN 0.530 nan 8.310 nan 0.000 0.465 96 D N 1.679 122.202 120.400 0.204 0.000 2.178 96 D HA 0.005 4.644 4.640 -0.000 0.000 0.202 96 D C 1.732 178.080 176.300 0.080 0.000 0.974 96 D CA 1.782 55.849 54.000 0.112 0.000 0.841 96 D CB -0.501 40.352 40.800 0.089 0.000 0.953 96 D HN 0.702 nan 8.370 nan 0.000 0.478 97 T N 0.201 114.851 114.554 0.160 0.000 2.708 97 T HA -0.163 4.187 4.350 -0.000 0.000 0.266 97 T C 1.767 176.528 174.700 0.102 0.000 1.037 97 T CA 0.689 62.900 62.100 0.185 0.000 1.146 97 T CB -0.506 68.617 68.868 0.425 0.000 0.865 97 T HN 0.152 nan 8.240 nan 0.000 0.435 98 F N 2.609 122.509 119.950 -0.083 0.000 2.134 98 F HA -0.124 4.403 4.527 -0.000 0.000 0.299 98 F C 2.057 177.739 175.800 -0.196 0.000 1.097 98 F CA 1.088 58.913 58.000 -0.291 0.000 1.264 98 F CB -0.235 38.382 39.000 -0.638 0.000 1.001 98 F HN 0.048 nan 8.300 nan 0.000 0.479 99 N N 0.429 119.201 118.700 0.120 0.000 2.381 99 N HA -0.076 4.664 4.740 -0.000 0.000 0.182 99 N C 1.749 177.224 175.510 -0.058 0.000 1.025 99 N CA 1.116 54.198 53.050 0.054 0.000 0.888 99 N CB -0.487 38.041 38.487 0.069 0.000 0.965 99 N HN 0.427 nan 8.380 nan 0.000 0.438 100 A N -0.013 122.760 122.820 -0.078 0.000 1.903 100 A HA 0.057 4.377 4.320 -0.000 0.000 0.213 100 A C 1.906 179.384 177.584 -0.177 0.000 1.185 100 A CA 1.465 53.454 52.037 -0.080 0.000 0.628 100 A CB 0.011 19.002 19.000 -0.015 0.000 0.830 100 A HN 0.179 nan 8.150 nan 0.000 0.446 101 V N -5.764 113.944 119.914 -0.343 0.000 3.451 101 V HA 0.583 4.703 4.120 -0.000 0.000 0.288 101 V C 1.162 176.716 176.094 -0.901 0.000 1.502 101 V CA 0.755 62.644 62.300 -0.685 0.000 1.026 101 V CB -0.325 30.865 31.823 -1.055 0.000 0.840 101 V HN 1.536 nan 8.190 nan 0.000 0.437 102 G N 0.189 108.456 108.800 -0.888 0.000 2.157 102 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.248 102 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.248 102 G C -0.240 173.894 174.900 -1.277 0.000 0.979 102 G CA 0.434 44.849 45.100 -1.142 0.000 0.650 102 G HN 0.798 nan 8.290 nan 0.000 0.529 103 D N -1.157 118.679 120.400 -0.940 0.000 2.602 103 D HA 0.634 5.273 4.640 -0.000 0.000 0.236 103 D C -0.121 176.228 176.300 0.081 0.000 1.209 103 D CA -0.707 53.131 54.000 -0.271 0.000 0.831 103 D CB 0.971 41.825 40.800 0.090 0.000 1.478 103 D HN -0.076 nan 8.370 nan 0.000 0.438 104 F N 0.995 121.260 119.950 0.524 0.000 2.406 104 F HA 0.550 5.076 4.527 -0.001 0.000 0.327 104 F C 1.413 177.476 175.800 0.439 0.000 1.153 104 F CA -0.561 57.719 58.000 0.468 0.000 1.218 104 F CB 0.582 39.842 39.000 0.432 0.000 1.215 104 F HN 0.300 nan 8.300 nan 0.000 0.570 105 A N 1.108 124.204 122.820 0.461 0.000 2.507 105 A HA 0.369 4.688 4.320 -0.000 0.000 0.235 105 A C 1.117 178.674 177.584 -0.046 0.000 1.070 105 A CA 0.227 52.353 52.037 0.150 0.000 0.768 105 A CB -0.291 18.617 19.000 -0.153 0.000 1.011 105 A HN 1.014 nan 8.150 nan 0.000 0.502 106 A N 1.712 124.508 122.820 -0.042 0.000 1.970 106 A HA 0.339 4.659 4.320 -0.000 0.000 0.216 106 A C 0.767 178.349 177.584 -0.004 0.000 1.170 106 A CA 1.307 53.374 52.037 0.050 0.000 0.645 106 A CB -0.173 18.867 19.000 0.066 0.000 0.816 106 A HN 0.861 nan 8.150 nan 0.000 0.447 107 V N 0.176 119.945 119.914 -0.241 0.000 2.448 107 V HA 0.382 4.502 4.120 -0.000 0.000 0.295 107 V C -1.437 174.417 176.094 -0.399 0.000 1.025 107 V CA -0.595 61.530 62.300 -0.291 0.000 0.859 107 V CB 0.978 32.406 31.823 -0.657 0.000 0.988 107 V HN 0.365 nan 8.190 nan 0.000 0.431 108 Y N 2.669 122.786 120.300 -0.304 0.000 2.369 108 Y HA 0.665 5.215 4.550 -0.000 0.000 0.337 108 Y C 0.845 176.400 175.900 -0.575 0.000 0.961 108 Y CA -0.566 57.245 58.100 -0.483 0.000 1.186 108 Y CB 1.791 40.022 38.460 -0.383 0.000 1.139 108 Y HN 0.694 nan 8.280 nan 0.000 0.494 109 G N 3.410 111.834 108.800 -0.627 0.000 2.348 109 G HA2 0.462 4.421 3.960 -0.000 0.000 0.312 109 G HA3 0.462 4.421 3.960 -0.000 0.000 0.312 109 G C -1.048 173.358 174.900 -0.822 0.000 1.126 109 G CA -0.285 44.503 45.100 -0.519 0.000 0.865 109 G HN 0.550 nan 8.290 nan 0.000 0.474 110 W N -0.493 120.655 121.300 -0.253 0.000 3.179 110 W HA 0.548 5.207 4.660 -0.000 0.000 0.372 110 W C -0.823 175.557 176.519 -0.232 0.000 1.137 110 W CA -0.499 56.629 57.345 -0.362 0.000 1.100 110 W CB 1.969 31.256 29.460 -0.287 0.000 1.503 110 W HN 0.440 nan 8.180 nan 0.000 0.601 111 D N -1.089 119.353 120.400 0.071 0.000 2.596 111 D HA 0.113 4.752 4.640 -0.000 0.000 0.262 111 D C 0.848 177.108 176.300 -0.066 0.000 1.210 111 D CA -0.060 53.952 54.000 0.021 0.000 0.873 111 D CB 2.341 43.230 40.800 0.149 0.000 1.408 111 D HN 0.277 nan 8.370 nan 0.000 0.441 112 T N -0.610 113.881 114.554 -0.106 0.000 3.051 112 T HA -0.039 4.311 4.350 -0.000 0.000 0.269 112 T C 2.062 176.741 174.700 -0.035 0.000 1.127 112 T CA 0.568 62.593 62.100 -0.125 0.000 1.107 112 T CB -0.261 68.520 68.868 -0.144 0.000 0.898 112 T HN 0.356 nan 8.240 nan 0.000 0.517 113 L N 0.880 122.129 121.223 0.043 0.000 2.450 113 L HA 0.024 4.364 4.340 -0.000 0.000 0.224 113 L C 2.223 179.129 176.870 0.060 0.000 1.149 113 L CA 0.724 55.624 54.840 0.100 0.000 0.816 113 L CB -0.360 41.807 42.059 0.180 0.000 0.932 113 L HN 0.281 nan 8.230 nan 0.000 0.449 114 S N -1.218 114.473 115.700 -0.016 0.000 2.554 114 S HA 0.324 4.793 4.470 -0.000 0.000 0.226 114 S C 1.400 175.897 174.600 -0.171 0.000 0.980 114 S CA -0.103 58.060 58.200 -0.062 0.000 0.939 114 S CB 0.486 63.630 63.200 -0.093 0.000 0.832 114 S HN 0.284 nan 8.310 nan 0.000 0.486 115 I N -0.631 119.813 120.570 -0.211 0.000 4.046 115 I HA 0.190 4.360 4.170 -0.000 0.000 0.285 115 I C -0.236 175.832 176.117 -0.081 0.000 1.183 115 I CA 0.298 61.410 61.300 -0.313 0.000 1.337 115 I CB 0.504 38.107 38.000 -0.662 0.000 1.478 115 I HN -0.046 nan 8.210 nan 0.000 0.452 116 V N 2.800 122.708 119.914 -0.010 0.000 2.465 116 V HA 0.503 4.623 4.120 -0.000 0.000 0.279 116 V C 0.529 176.661 176.094 0.063 0.000 1.045 116 V CA -1.024 61.316 62.300 0.067 0.000 0.938 116 V CB 1.155 33.042 31.823 0.107 0.000 0.986 116 V HN 0.285 nan 8.190 nan 0.000 0.467 117 A N 7.488 130.358 122.820 0.084 0.000 2.561 117 A HA 0.306 4.626 4.320 -0.000 0.000 0.234 117 A C -0.825 176.810 177.584 0.084 0.000 1.055 117 A CA -0.478 51.609 52.037 0.083 0.000 0.756 117 A CB -0.127 18.929 19.000 0.092 0.000 0.986 117 A HN 0.797 nan 8.150 nan 0.000 0.505 118 P HA 0.114 nan 4.420 nan 0.000 0.256 118 P C -0.495 176.848 177.300 0.072 0.000 1.384 118 P CA -0.174 62.973 63.100 0.079 0.000 0.879 118 P CB -0.170 31.581 31.700 0.085 0.000 1.403 119 K N -0.110 120.331 120.400 0.068 0.000 3.257 119 K HA -0.195 4.125 4.320 -0.000 0.000 0.270 119 K C 1.130 177.772 176.600 0.071 0.000 0.984 119 K CA 0.131 56.453 56.287 0.058 0.000 0.739 119 K CB -1.742 30.783 32.500 0.042 0.000 1.351 119 K HN 0.235 nan 8.250 nan 0.000 0.463 120 A N 0.914 123.789 122.820 0.092 0.000 1.986 120 A HA -0.228 4.091 4.320 -0.000 0.000 0.220 120 A C 1.738 179.375 177.584 0.089 0.000 1.171 120 A CA 1.692 53.786 52.037 0.094 0.000 0.640 120 A CB -0.105 18.968 19.000 0.123 0.000 0.811 120 A HN 0.616 nan 8.150 nan 0.000 0.451 121 E N -1.116 119.151 120.200 0.112 0.000 2.489 121 E HA 0.352 4.701 4.350 -0.000 0.000 0.193 121 E C 0.755 177.433 176.600 0.131 0.000 1.057 121 E CA 0.127 56.612 56.400 0.141 0.000 0.866 121 E CB -0.126 29.725 29.700 0.252 0.000 0.916 121 E HN 0.735 nan 8.360 nan 0.000 0.500 122 G N 1.855 110.703 108.800 0.079 0.000 2.733 122 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.686 122 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.686 122 G C -0.695 174.217 174.900 0.021 0.000 1.373 122 G CA -0.750 44.381 45.100 0.051 0.000 0.838 122 G HN 0.098 nan 8.290 nan 0.000 0.588 123 D N -0.364 120.041 120.400 0.010 0.000 2.419 123 D HA 0.269 4.909 4.640 -0.000 0.000 0.236 123 D C 1.744 177.997 176.300 -0.079 0.000 1.165 123 D CA 1.153 55.149 54.000 -0.006 0.000 0.882 123 D CB 0.680 41.493 40.800 0.021 0.000 1.201 123 D HN 0.838 nan 8.370 nan 0.000 0.443 124 I N -1.548 118.948 120.570 -0.123 0.000 4.310 124 I HA 0.055 4.224 4.170 -0.000 0.000 0.328 124 I C 1.305 177.257 176.117 -0.274 0.000 1.406 124 I CA -0.354 60.725 61.300 -0.367 0.000 1.174 124 I CB 0.373 37.878 38.000 -0.825 0.000 1.279 124 I HN 0.047 nan 8.210 nan 0.000 0.471 125 V N 2.319 122.190 119.914 -0.072 0.000 2.282 125 V HA -0.317 3.803 4.120 -0.000 0.000 0.249 125 V C 3.119 179.105 176.094 -0.181 0.000 1.057 125 V CA 2.720 64.944 62.300 -0.126 0.000 1.032 125 V CB -0.930 30.825 31.823 -0.114 0.000 0.645 125 V HN 0.653 nan 8.190 nan 0.000 0.447 126 A N -0.754 121.981 122.820 -0.143 0.000 1.902 126 A HA -0.279 4.041 4.320 -0.000 0.000 0.217 126 A C 2.124 179.625 177.584 -0.140 0.000 1.181 126 A CA 2.050 54.015 52.037 -0.121 0.000 0.623 126 A CB -0.469 18.484 19.000 -0.079 0.000 0.818 126 A HN 0.598 nan 8.150 nan 0.000 0.443 127 Q N -0.626 119.059 119.800 -0.191 0.000 2.123 127 Q HA -0.004 4.335 4.340 -0.000 0.000 0.199 127 Q C 2.025 177.899 176.000 -0.210 0.000 0.966 127 Q CA 1.347 57.053 55.803 -0.162 0.000 0.845 127 Q CB -0.436 28.219 28.738 -0.138 0.000 0.907 127 Q HN 0.422 nan 8.270 nan 0.000 0.439 128 V N 0.962 120.645 119.914 -0.385 0.000 2.343 128 V HA -0.287 3.833 4.120 -0.000 0.000 0.247 128 V C 1.929 177.936 176.094 -0.146 0.000 1.051 128 V CA 1.840 63.998 62.300 -0.237 0.000 1.036 128 V CB -0.393 31.293 31.823 -0.228 0.000 0.654 128 V HN 0.318 nan 8.190 nan 0.000 0.451 129 K N -0.087 120.216 120.400 -0.160 0.000 2.063 129 K HA -0.195 4.124 4.320 -0.000 0.000 0.208 129 K C 2.246 178.804 176.600 -0.069 0.000 1.048 129 K CA 1.482 57.708 56.287 -0.103 0.000 0.928 129 K CB -0.206 32.225 32.500 -0.115 0.000 0.713 129 K HN 0.420 nan 8.250 nan 0.000 0.442 130 K N 0.315 120.653 120.400 -0.102 0.000 2.057 130 K HA -0.095 4.225 4.320 -0.000 0.000 0.206 130 K C 2.232 178.719 176.600 -0.189 0.000 1.050 130 K CA 1.187 57.405 56.287 -0.116 0.000 0.935 130 K CB -0.128 32.312 32.500 -0.101 0.000 0.715 130 K HN 0.121 nan 8.250 nan 0.000 0.439 131 A N 0.773 123.429 122.820 -0.272 0.000 1.902 131 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 131 A C 2.072 179.487 177.584 -0.282 0.000 1.181 131 A CA 1.358 53.061 52.037 -0.557 0.000 0.623 131 A CB -0.764 17.612 19.000 -1.039 0.000 0.818 131 A HN 0.397 nan 8.150 nan 0.000 0.443 132 Y N 0.631 120.771 120.300 -0.266 0.000 2.200 132 Y HA -0.040 4.510 4.550 -0.000 0.000 0.290 132 Y C 2.619 178.431 175.900 -0.146 0.000 1.137 132 Y CA 0.912 58.895 58.100 -0.195 0.000 1.163 132 Y CB -0.575 37.742 38.460 -0.238 0.000 0.988 132 Y HN 0.300 nan 8.280 nan 0.000 0.518 133 A N 0.968 123.708 122.820 -0.133 0.000 2.019 133 A HA -0.191 4.128 4.320 -0.000 0.000 0.219 133 A C 2.161 179.657 177.584 -0.147 0.000 1.164 133 A CA 1.673 53.609 52.037 -0.169 0.000 0.644 133 A CB -0.745 18.201 19.000 -0.090 0.000 0.805 133 A HN 0.624 nan 8.150 nan 0.000 0.449 134 R N -1.188 119.238 120.500 -0.124 0.000 2.334 134 R HA 0.338 4.677 4.340 -0.000 0.000 0.220 134 R C 0.992 177.281 176.300 -0.018 0.000 0.917 134 R CA 0.780 56.849 56.100 -0.053 0.000 1.073 134 R CB -0.569 29.705 30.300 -0.043 0.000 1.056 134 R HN 0.714 nan 8.270 nan 0.000 0.506 135 G N 0.047 108.802 108.800 -0.075 0.000 2.143 135 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.249 135 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.249 135 G C 0.336 175.289 174.900 0.088 0.000 0.981 135 G CA -0.147 44.943 45.100 -0.015 0.000 0.665 135 G HN 0.688 nan 8.290 nan 0.000 0.528 136 G N -0.841 108.025 108.800 0.109 0.000 2.634 136 G HA2 0.568 4.528 3.960 -0.000 0.000 0.255 136 G HA3 0.568 4.528 3.960 -0.000 0.000 0.255 136 G C 0.066 175.137 174.900 0.285 0.000 1.205 136 G CA -0.489 44.751 45.100 0.234 0.000 0.884 136 G HN 0.657 nan 8.290 nan 0.000 0.549 137 I N 0.472 121.218 120.570 0.293 0.000 2.441 137 I HA 0.286 4.456 4.170 -0.000 0.000 0.295 137 I C -0.559 175.692 176.117 0.223 0.000 0.994 137 I CA -0.756 60.697 61.300 0.256 0.000 1.144 137 I CB 1.949 40.015 38.000 0.109 0.000 1.314 137 I HN 0.076 nan 8.210 nan 0.000 0.445 138 I N 4.272 124.969 120.570 0.211 0.000 2.404 138 I HA 0.398 4.567 4.170 -0.000 0.000 0.293 138 I C 0.112 176.313 176.117 0.141 0.000 0.992 138 I CA -0.321 61.106 61.300 0.211 0.000 1.149 138 I CB 1.358 39.498 38.000 0.233 0.000 1.315 138 I HN 0.481 nan 8.210 nan 0.000 0.446 139 T N 5.614 120.224 114.554 0.094 0.000 2.893 139 T HA 0.716 5.066 4.350 -0.000 0.000 0.293 139 T C -1.235 173.507 174.700 0.071 0.000 1.027 139 T CA -0.356 61.778 62.100 0.057 0.000 0.988 139 T CB 1.541 70.409 68.868 0.001 0.000 1.043 139 T HN 0.265 nan 8.240 nan 0.000 0.461 140 V N 4.798 124.740 119.914 0.047 0.000 2.525 140 V HA 0.565 4.684 4.120 -0.000 0.000 0.299 140 V C 0.329 176.341 176.094 -0.136 0.000 1.034 140 V CA -0.818 61.498 62.300 0.028 0.000 0.863 140 V CB 1.818 33.693 31.823 0.088 0.000 0.999 140 V HN 1.104 nan 8.190 nan 0.000 0.423 141 S N 2.908 118.506 115.700 -0.170 0.000 2.707 141 S HA 0.673 5.143 4.470 -0.000 0.000 0.276 141 S C 0.186 174.493 174.600 -0.487 0.000 1.179 141 S CA -0.306 57.660 58.200 -0.391 0.000 0.992 141 S CB 1.655 64.683 63.200 -0.288 0.000 1.030 141 S HN 1.084 nan 8.310 nan 0.000 0.554 142 S N -0.235 114.991 115.700 -0.790 0.000 2.399 142 S HA 0.328 4.798 4.470 -0.000 0.000 0.215 142 S C -1.232 172.852 174.600 -0.859 0.000 1.456 142 S CA -0.728 56.875 58.200 -0.995 0.000 1.199 142 S CB -0.589 61.654 63.200 -1.594 0.000 1.063 142 S HN 0.707 nan 8.310 nan 0.000 0.476 143 H N 2.685 121.506 119.070 -0.415 0.000 2.799 143 H HA 0.355 4.911 4.556 -0.000 0.000 0.225 143 H C -0.532 174.795 175.328 -0.001 0.000 1.904 143 H CA -0.448 55.490 56.048 -0.184 0.000 1.344 143 H CB -0.544 29.197 29.762 -0.036 0.000 1.744 143 H HN 0.485 nan 8.280 nan 0.000 0.542 144 F N 1.139 121.172 119.950 0.139 0.000 2.518 144 F HA -0.007 4.519 4.527 -0.000 0.000 0.359 144 F C 1.151 177.183 175.800 0.388 0.000 1.118 144 F CA -0.512 57.586 58.000 0.164 0.000 1.287 144 F CB 0.297 39.526 39.000 0.381 0.000 1.132 144 F HN 0.372 nan 8.300 nan 0.000 0.587 145 D N 0.980 121.543 120.400 0.272 0.000 2.354 145 D HA -0.100 4.540 4.640 -0.000 0.000 0.238 145 D C 0.263 176.801 176.300 0.397 0.000 1.250 145 D CA 0.099 54.277 54.000 0.296 0.000 0.911 145 D CB 0.347 41.210 40.800 0.105 0.000 1.163 145 D HN 0.315 nan 8.370 nan 0.000 0.456 146 N N 1.075 119.813 118.700 0.063 0.000 2.401 146 N HA 0.075 4.815 4.740 -0.000 0.000 0.255 146 N C -2.028 173.222 175.510 -0.434 0.000 1.110 146 N CA -1.590 51.088 53.050 -0.619 0.000 0.949 146 N CB 1.364 39.631 38.487 -0.368 0.000 1.110 146 N HN -0.042 nan 8.380 nan 0.000 0.490 147 P HA -0.081 nan 4.420 nan 0.000 0.222 147 P C 0.942 177.953 177.300 -0.481 0.000 1.147 147 P CA 1.116 63.989 63.100 -0.379 0.000 0.790 147 P CB 0.389 31.829 31.700 -0.434 0.000 0.780 148 K N -0.183 119.797 120.400 -0.700 0.000 2.243 148 K HA -0.012 4.308 4.320 -0.000 0.000 0.201 148 K C 1.069 177.211 176.600 -0.763 0.000 1.051 148 K CA 1.541 57.147 56.287 -1.135 0.000 0.970 148 K CB 0.030 32.071 32.500 -0.765 0.000 0.755 148 K HN 0.163 nan 8.250 nan 0.000 0.465 149 T N -1.904 112.401 114.554 -0.414 0.000 3.209 149 T HA 0.031 4.381 4.350 -0.000 0.000 0.295 149 T C 0.714 175.350 174.700 -0.106 0.000 0.977 149 T CA -0.060 61.908 62.100 -0.220 0.000 0.922 149 T CB 0.185 68.954 68.868 -0.165 0.000 1.152 149 T HN 0.211 nan 8.240 nan 0.000 0.527 150 D N 2.357 122.711 120.400 -0.077 0.000 2.310 150 D HA -0.141 4.498 4.640 -0.000 0.000 0.212 150 D C 1.789 178.115 176.300 0.043 0.000 0.965 150 D CA 1.503 55.519 54.000 0.026 0.000 0.879 150 D CB -0.825 40.046 40.800 0.119 0.000 0.921 150 D HN 0.552 nan 8.370 nan 0.000 0.510 151 T N -3.181 111.387 114.554 0.024 0.000 3.118 151 T HA -0.041 4.309 4.350 -0.000 0.000 0.260 151 T C 1.359 176.077 174.700 0.030 0.000 1.139 151 T CA 0.365 62.487 62.100 0.038 0.000 1.085 151 T CB -0.029 68.863 68.868 0.040 0.000 0.934 151 T HN -0.005 nan 8.240 nan 0.000 0.518 152 Q N 0.669 120.478 119.800 0.015 0.000 2.280 152 Q HA 0.273 4.613 4.340 -0.000 0.000 0.201 152 Q C 0.138 176.154 176.000 0.027 0.000 0.890 152 Q CA 0.035 55.846 55.803 0.014 0.000 0.947 152 Q CB 0.296 29.029 28.738 -0.007 0.000 1.081 152 Q HN 0.614 nan 8.270 nan 0.000 0.502 153 K N 0.016 120.442 120.400 0.043 0.000 2.527 153 K HA 0.124 4.443 4.320 -0.000 0.000 0.278 153 K C 0.859 177.499 176.600 0.066 0.000 0.981 153 K CA 0.940 57.266 56.287 0.064 0.000 1.009 153 K CB 0.428 32.982 32.500 0.089 0.000 0.895 153 K HN 0.272 nan 8.250 nan 0.000 0.493 154 G N 0.944 109.792 108.800 0.080 0.000 4.338 154 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.195 154 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.195 154 G C -0.814 174.144 174.900 0.096 0.000 1.164 154 G CA -0.559 44.587 45.100 0.078 0.000 0.872 154 G HN 0.387 nan 8.290 nan 0.000 0.301 155 V N 2.137 122.103 119.914 0.087 0.000 2.294 155 V HA 0.435 4.555 4.120 -0.000 0.000 0.272 155 V C -0.071 176.101 176.094 0.131 0.000 1.027 155 V CA -0.793 61.570 62.300 0.105 0.000 0.823 155 V CB 0.671 32.535 31.823 0.070 0.000 1.030 155 V HN 0.408 nan 8.190 nan 0.000 0.457 156 W N 9.114 130.435 121.300 0.035 0.000 2.314 156 W HA 0.168 4.828 4.660 -0.001 0.000 0.339 156 W C -1.059 175.486 176.519 0.044 0.000 1.293 156 W CA -0.733 56.639 57.345 0.044 0.000 1.288 156 W CB 0.845 30.308 29.460 0.005 0.000 1.186 156 W HN 0.441 nan 8.180 nan 0.000 0.566 157 P HA 0.047 nan 4.420 nan 0.000 0.263 157 P C -0.461 176.560 177.300 -0.465 0.000 1.448 157 P CA -0.023 62.258 63.100 -1.364 0.000 0.983 157 P CB -0.021 30.780 31.700 -1.498 0.000 1.481 158 V N 1.254 121.043 119.914 -0.209 0.000 2.644 158 V HA 0.167 4.287 4.120 -0.000 0.000 0.305 158 V C 1.873 177.949 176.094 -0.030 0.000 1.053 158 V CA 1.867 64.116 62.300 -0.084 0.000 1.186 158 V CB -0.410 31.392 31.823 -0.034 0.000 0.895 158 V HN 0.591 nan 8.190 nan 0.000 0.490 159 G N 3.457 112.248 108.800 -0.014 0.000 2.205 159 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.261 159 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.261 159 G C 0.387 175.349 174.900 0.103 0.000 0.980 159 G CA 0.662 45.776 45.100 0.023 0.000 0.632 159 G HN 1.215 nan 8.290 nan 0.000 0.533 160 T N -2.722 111.919 114.554 0.146 0.000 2.880 160 T HA 0.685 5.034 4.350 -0.000 0.000 0.279 160 T C 1.601 176.534 174.700 0.388 0.000 0.990 160 T CA 0.833 63.120 62.100 0.312 0.000 0.938 160 T CB 1.300 70.445 68.868 0.460 0.000 1.206 160 T HN 0.337 nan 8.240 nan 0.000 0.573 161 S N -0.384 115.538 115.700 0.370 0.000 2.402 161 S HA -0.088 4.381 4.470 -0.000 0.000 0.233 161 S C 1.411 176.071 174.600 0.099 0.000 1.030 161 S CA 1.174 59.440 58.200 0.110 0.000 1.003 161 S CB -0.460 62.430 63.200 -0.517 0.000 0.813 161 S HN 0.720 nan 8.310 nan 0.000 0.477 162 W N 1.700 123.190 121.300 0.317 0.000 3.180 162 W HA 0.218 4.877 4.660 -0.000 0.000 0.254 162 W C 0.435 176.926 176.519 -0.046 0.000 1.318 162 W CA -0.460 56.971 57.345 0.143 0.000 1.608 162 W CB -0.376 29.107 29.460 0.038 0.000 1.124 162 W HN 0.221 nan 8.180 nan 0.000 0.694 163 D N 1.324 121.820 120.400 0.160 0.000 2.344 163 D HA 0.005 4.645 4.640 -0.000 0.000 0.253 163 D C 0.983 177.353 176.300 0.116 0.000 1.255 163 D CA 0.505 54.542 54.000 0.062 0.000 0.894 163 D CB 0.907 41.725 40.800 0.030 0.000 1.067 163 D HN 0.141 nan 8.370 nan 0.000 0.492 164 Q N 1.720 121.559 119.800 0.066 0.000 2.482 164 Q HA 0.000 4.340 4.340 -0.000 0.000 0.209 164 Q C 0.292 176.329 176.000 0.062 0.000 0.961 164 Q CA 0.363 56.201 55.803 0.058 0.000 0.945 164 Q CB 0.139 28.893 28.738 0.027 0.000 1.012 164 Q HN 0.452 nan 8.270 nan 0.000 0.515 165 T N 3.909 118.490 114.554 0.045 0.000 2.778 165 T HA 0.025 4.375 4.350 -0.000 0.000 0.282 165 T C -2.369 172.361 174.700 0.051 0.000 0.983 165 T CA -0.763 61.347 62.100 0.017 0.000 1.193 165 T CB 0.219 69.066 68.868 -0.036 0.000 0.938 165 T HN 0.037 nan 8.240 nan 0.000 0.523 166 P HA 0.245 nan 4.420 nan 0.000 0.264 166 P C -0.327 177.014 177.300 0.068 0.000 1.193 166 P CA -0.010 63.148 63.100 0.096 0.000 0.763 166 P CB 0.525 32.263 31.700 0.065 0.000 0.810 167 A N 2.947 125.862 122.820 0.157 0.000 2.630 167 A HA 0.180 4.499 4.320 -0.000 0.000 0.287 167 A C 1.282 178.940 177.584 0.124 0.000 1.040 167 A CA 0.003 52.038 52.037 -0.005 0.000 0.971 167 A CB -0.342 18.440 19.000 -0.363 0.000 1.241 167 A HN 0.301 nan 8.150 nan 0.000 0.558 168 V N -0.536 119.529 119.914 0.251 0.000 2.273 168 V HA -0.158 3.962 4.120 -0.000 0.000 0.242 168 V C 2.456 178.593 176.094 0.071 0.000 1.035 168 V CA 2.200 64.624 62.300 0.208 0.000 1.013 168 V CB -0.831 31.109 31.823 0.195 0.000 0.652 168 V HN 0.309 nan 8.190 nan 0.000 0.452 169 V N 0.646 120.592 119.914 0.054 0.000 2.332 169 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 169 V C 1.973 178.065 176.094 -0.004 0.000 1.055 169 V CA 2.273 64.581 62.300 0.013 0.000 1.038 169 V CB -0.679 31.155 31.823 0.019 0.000 0.651 169 V HN 0.571 nan 8.190 nan 0.000 0.450 170 D N -0.863 119.550 120.400 0.021 0.000 2.349 170 D HA 0.022 4.662 4.640 -0.000 0.000 0.224 170 D C 2.001 178.316 176.300 0.025 0.000 1.029 170 D CA 0.618 54.646 54.000 0.047 0.000 0.879 170 D CB 0.373 41.270 40.800 0.162 0.000 0.906 170 D HN 0.366 nan 8.370 nan 0.000 0.528 171 S N -0.521 115.161 115.700 -0.030 0.000 2.512 171 S HA 0.201 4.670 4.470 -0.000 0.000 0.216 171 S C 0.979 175.471 174.600 -0.179 0.000 1.006 171 S CA -0.329 57.823 58.200 -0.081 0.000 0.915 171 S CB 1.013 64.169 63.200 -0.073 0.000 0.824 171 S HN 0.135 nan 8.310 nan 0.000 0.497 172 L N 2.284 123.384 121.223 -0.206 0.000 2.472 172 L HA 0.272 4.612 4.340 -0.000 0.000 0.260 172 L C -2.421 174.234 176.870 -0.359 0.000 1.209 172 L CA -2.244 52.367 54.840 -0.382 0.000 0.817 172 L CB -0.260 41.639 42.059 -0.266 0.000 1.106 172 L HN -0.102 nan 8.230 nan 0.000 0.479 173 P HA 0.010 nan 4.420 nan 0.000 0.262 173 P C 0.589 177.797 177.300 -0.155 0.000 1.182 173 P CA 1.102 64.050 63.100 -0.253 0.000 0.761 173 P CB 0.613 32.198 31.700 -0.193 0.000 0.795 174 G N 1.877 110.607 108.800 -0.116 0.000 2.279 174 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.223 174 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.223 174 G C 0.607 175.449 174.900 -0.097 0.000 1.015 174 G CA -0.200 44.846 45.100 -0.089 0.000 0.621 174 G HN 0.881 nan 8.290 nan 0.000 0.506 175 G N 0.033 108.765 108.800 -0.113 0.000 2.503 175 G HA2 0.639 4.599 3.960 -0.000 0.000 0.257 175 G HA3 0.639 4.599 3.960 -0.000 0.000 0.257 175 G C 1.228 176.038 174.900 -0.151 0.000 1.214 175 G CA 0.833 45.872 45.100 -0.102 0.000 0.839 175 G HN 1.321 nan 8.290 nan 0.000 0.559 176 A N 1.023 123.717 122.820 -0.210 0.000 2.019 176 A HA -0.033 4.286 4.320 -0.000 0.000 0.219 176 A C 1.492 178.701 177.584 -0.626 0.000 1.164 176 A CA 1.150 52.923 52.037 -0.439 0.000 0.644 176 A CB -0.337 18.305 19.000 -0.598 0.000 0.805 176 A HN 0.718 nan 8.150 nan 0.000 0.449 177 Y N -0.809 119.414 120.300 -0.128 0.000 2.507 177 Y HA 0.111 4.661 4.550 -0.000 0.000 0.254 177 Y C 1.927 177.708 175.900 -0.198 0.000 1.171 177 Y CA -0.059 57.942 58.100 -0.164 0.000 1.238 177 Y CB -0.187 38.162 38.460 -0.185 0.000 1.148 177 Y HN 0.417 nan 8.280 nan 0.000 0.525 178 N N 1.705 120.337 118.700 -0.113 0.000 2.094 178 N HA -0.169 4.571 4.740 -0.000 0.000 0.191 178 N C -1.137 174.287 175.510 -0.143 0.000 1.023 178 N CA 1.516 54.478 53.050 -0.146 0.000 0.857 178 N CB -0.585 37.802 38.487 -0.166 0.000 1.013 178 N HN 0.211 nan 8.380 nan 0.000 0.426 179 P HA -0.054 nan 4.420 nan 0.000 0.218 179 P C 1.732 178.927 177.300 -0.175 0.000 1.149 179 P CA 0.654 63.685 63.100 -0.115 0.000 0.817 179 P CB 0.068 31.714 31.700 -0.090 0.000 0.785 180 V N -0.321 119.469 119.914 -0.207 0.000 2.307 180 V HA -0.197 3.922 4.120 -0.000 0.000 0.245 180 V C 2.370 178.010 176.094 -0.755 0.000 1.045 180 V CA 1.474 63.562 62.300 -0.354 0.000 1.024 180 V CB -1.308 30.379 31.823 -0.226 0.000 0.651 180 V HN 0.054 nan 8.190 nan 0.000 0.449 181 L N 1.200 122.051 121.223 -0.621 0.000 2.042 181 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 181 L C 2.153 178.720 176.870 -0.505 0.000 1.076 181 L CA 2.003 56.465 54.840 -0.630 0.000 0.749 181 L CB -1.084 40.826 42.059 -0.249 0.000 0.893 181 L HN 0.310 nan 8.230 nan 0.000 0.432 182 N N 0.239 118.708 118.700 -0.384 0.000 2.223 182 N HA -0.113 4.627 4.740 -0.000 0.000 0.185 182 N C 1.811 177.184 175.510 -0.229 0.000 1.016 182 N CA 1.336 54.135 53.050 -0.419 0.000 0.863 182 N CB -0.848 37.484 38.487 -0.258 0.000 0.983 182 N HN 0.556 nan 8.380 nan 0.000 0.429 183 G N -0.077 108.601 108.800 -0.202 0.000 2.418 183 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.217 183 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.217 183 G C 1.356 176.288 174.900 0.053 0.000 1.158 183 G CA 0.401 45.467 45.100 -0.056 0.000 0.771 183 G HN 0.402 nan 8.290 nan 0.000 0.545 184 Y N 0.382 120.615 120.300 -0.112 0.000 2.128 184 Y HA -0.079 4.471 4.550 -0.000 0.000 0.284 184 Y C 2.827 178.684 175.900 -0.072 0.000 1.154 184 Y CA 0.340 58.356 58.100 -0.140 0.000 1.149 184 Y CB -0.306 37.864 38.460 -0.483 0.000 0.976 184 Y HN 0.057 nan 8.280 nan 0.000 0.505 185 L N -0.182 121.048 121.223 0.011 0.000 2.093 185 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 185 L C 1.861 178.849 176.870 0.196 0.000 1.085 185 L CA 0.929 55.821 54.840 0.088 0.000 0.755 185 L CB -0.522 41.481 42.059 -0.092 0.000 0.904 185 L HN 0.240 nan 8.230 nan 0.000 0.435 186 D N -0.003 120.512 120.400 0.192 0.000 2.123 186 D HA -0.216 4.424 4.640 -0.000 0.000 0.196 186 D C 2.293 178.683 176.300 0.150 0.000 0.992 186 D CA 1.262 55.382 54.000 0.200 0.000 0.833 186 D CB -0.139 40.757 40.800 0.161 0.000 0.954 186 D HN 0.414 nan 8.370 nan 0.000 0.455 187 Q N 0.063 119.955 119.800 0.153 0.000 2.079 187 Q HA -0.071 4.269 4.340 -0.000 0.000 0.200 187 Q C 2.425 178.527 176.000 0.170 0.000 0.974 187 Q CA 0.683 56.577 55.803 0.152 0.000 0.840 187 Q CB 0.074 28.903 28.738 0.152 0.000 0.898 187 Q HN 0.141 nan 8.270 nan 0.000 0.430 188 V N 1.049 121.067 119.914 0.174 0.000 2.332 188 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 188 V C 2.254 178.437 176.094 0.148 0.000 1.055 188 V CA 1.945 64.335 62.300 0.151 0.000 1.038 188 V CB -0.987 30.924 31.823 0.146 0.000 0.651 188 V HN 0.413 nan 8.190 nan 0.000 0.450 189 A N -0.265 122.609 122.820 0.090 0.000 1.898 189 A HA -0.229 4.091 4.320 -0.000 0.000 0.216 189 A C 2.194 179.778 177.584 0.001 0.000 1.181 189 A CA 1.918 53.948 52.037 -0.012 0.000 0.620 189 A CB -0.508 18.493 19.000 0.001 0.000 0.819 189 A HN 0.529 nan 8.150 nan 0.000 0.442 190 E N -0.970 119.269 120.200 0.065 0.000 2.077 190 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 190 E C 1.646 178.290 176.600 0.073 0.000 0.989 190 E CA 1.526 57.955 56.400 0.049 0.000 0.800 190 E CB -0.428 29.313 29.700 0.068 0.000 0.746 190 E HN 0.723 nan 8.360 nan 0.000 0.452 191 W N 0.677 121.943 121.300 -0.055 0.000 2.355 191 W HA -0.172 4.487 4.660 -0.001 0.000 0.309 191 W C 2.206 178.666 176.519 -0.099 0.000 1.206 191 W CA 2.584 59.893 57.345 -0.059 0.000 1.284 191 W CB -0.613 28.833 29.460 -0.024 0.000 1.145 191 W HN 0.133 nan 8.180 nan 0.000 0.502 192 A N 0.735 123.622 122.820 0.112 0.000 1.877 192 A HA -0.263 4.057 4.320 -0.000 0.000 0.216 192 A C 1.766 179.160 177.584 -0.318 0.000 1.186 192 A CA 2.027 53.942 52.037 -0.204 0.000 0.620 192 A CB -1.150 17.587 19.000 -0.439 0.000 0.822 192 A HN 0.434 nan 8.150 nan 0.000 0.443 193 N N 0.535 119.096 118.700 -0.232 0.000 2.443 193 N HA -0.071 4.668 4.740 -0.000 0.000 0.184 193 N C 0.723 176.111 175.510 -0.202 0.000 1.037 193 N CA 0.896 53.824 53.050 -0.203 0.000 0.896 193 N CB -0.306 38.093 38.487 -0.146 0.000 0.959 193 N HN 0.527 nan 8.380 nan 0.000 0.442 194 N N 0.064 118.620 118.700 -0.240 0.000 2.184 194 N HA 0.038 4.778 4.740 -0.000 0.000 0.206 194 N C -0.284 175.025 175.510 -0.334 0.000 1.151 194 N CA -0.166 52.742 53.050 -0.236 0.000 0.878 194 N CB 0.811 39.189 38.487 -0.183 0.000 1.014 194 N HN 0.099 nan 8.380 nan 0.000 0.512 195 L N 2.229 123.174 121.223 -0.463 0.000 2.404 195 L HA 0.188 4.528 4.340 -0.000 0.000 0.277 195 L C -0.365 176.255 176.870 -0.417 0.000 1.184 195 L CA 0.365 54.861 54.840 -0.574 0.000 1.013 195 L CB -0.415 41.127 42.059 -0.862 0.000 1.318 195 L HN -0.184 nan 8.230 nan 0.000 0.435 196 K N 2.298 122.503 120.400 -0.324 0.000 2.318 196 K HA 0.414 4.734 4.320 -0.000 0.000 0.249 196 K C -0.718 175.763 176.600 -0.198 0.000 0.942 196 K CA -0.924 55.215 56.287 -0.246 0.000 0.808 196 K CB 1.655 34.045 32.500 -0.183 0.000 1.189 196 K HN 0.534 nan 8.250 nan 0.000 0.428 197 D N 0.354 120.665 120.400 -0.149 0.000 2.414 197 D HA -0.014 4.626 4.640 -0.000 0.000 0.259 197 D C 0.463 176.733 176.300 -0.051 0.000 1.269 197 D CA -0.168 53.801 54.000 -0.052 0.000 1.028 197 D CB 0.496 41.347 40.800 0.086 0.000 1.093 197 D HN 0.502 nan 8.370 nan 0.000 0.545 198 E N -1.495 118.687 120.200 -0.029 0.000 2.338 198 E HA -0.122 4.228 4.350 -0.000 0.000 0.197 198 E C 1.230 177.810 176.600 -0.034 0.000 1.007 198 E CA 0.631 57.009 56.400 -0.036 0.000 0.849 198 E CB 0.090 29.771 29.700 -0.031 0.000 0.774 198 E HN 0.358 nan 8.360 nan 0.000 0.506 199 Q N -0.911 118.872 119.800 -0.027 0.000 2.320 199 Q HA 0.126 4.466 4.340 -0.000 0.000 0.201 199 Q C 1.108 177.086 176.000 -0.036 0.000 0.910 199 Q CA 0.669 56.456 55.803 -0.026 0.000 0.946 199 Q CB 1.188 29.917 28.738 -0.016 0.000 1.062 199 Q HN 0.333 nan 8.270 nan 0.000 0.503 200 G N 1.773 110.542 108.800 -0.051 0.000 2.143 200 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.249 200 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.249 200 G C 0.020 174.874 174.900 -0.076 0.000 0.981 200 G CA -0.068 44.992 45.100 -0.066 0.000 0.665 200 G HN 0.260 nan 8.290 nan 0.000 0.528 201 R N -0.375 120.083 120.500 -0.070 0.000 2.428 201 R HA 0.589 4.929 4.340 -0.000 0.000 0.294 201 R C 0.773 176.989 176.300 -0.141 0.000 1.000 201 R CA -0.840 55.213 56.100 -0.078 0.000 0.960 201 R CB 1.069 31.349 30.300 -0.035 0.000 1.076 201 R HN 0.223 nan 8.270 nan 0.000 0.475 202 L N 3.485 124.613 121.223 -0.157 0.000 2.485 202 L HA 0.084 4.424 4.340 -0.000 0.000 0.275 202 L C 0.415 177.083 176.870 -0.336 0.000 1.207 202 L CA 0.381 55.083 54.840 -0.230 0.000 0.855 202 L CB 0.190 42.137 42.059 -0.186 0.000 1.114 202 L HN 0.410 nan 8.230 nan 0.000 0.485 203 I N 4.557 124.835 120.570 -0.487 0.000 2.325 203 I HA 0.225 4.394 4.170 -0.000 0.000 0.291 203 I C -2.032 173.824 176.117 -0.435 0.000 1.019 203 I CA -1.904 58.919 61.300 -0.794 0.000 1.302 203 I CB 1.126 38.586 38.000 -0.900 0.000 1.401 203 I HN 0.323 nan 8.210 nan 0.000 0.485 204 P HA 0.180 nan 4.420 nan 0.000 0.271 204 P C -0.966 176.375 177.300 0.069 0.000 1.218 204 P CA -0.120 62.982 63.100 0.003 0.000 0.780 204 P CB 0.911 32.722 31.700 0.186 0.000 0.901 205 V N 3.755 123.774 119.914 0.174 0.000 2.808 205 V HA 0.325 4.445 4.120 -0.000 0.000 0.308 205 V C -0.057 176.071 176.094 0.056 0.000 1.099 205 V CA -0.532 61.858 62.300 0.150 0.000 0.920 205 V CB 2.151 34.104 31.823 0.216 0.000 1.014 205 V HN 0.369 nan 8.190 nan 0.000 0.425 206 I N 4.794 125.402 120.570 0.063 0.000 2.281 206 I HA 0.261 4.430 4.170 -0.000 0.000 0.293 206 I C -0.700 175.385 176.117 -0.053 0.000 1.085 206 I CA -0.011 61.320 61.300 0.051 0.000 1.257 206 I CB 0.275 38.378 38.000 0.170 0.000 1.430 206 I HN 0.481 nan 8.210 nan 0.000 0.489 207 F N 7.399 127.073 119.950 -0.460 0.000 2.391 207 F HA 0.405 4.932 4.527 -0.000 0.000 0.359 207 F C 0.431 176.067 175.800 -0.273 0.000 1.122 207 F CA -0.726 56.915 58.000 -0.598 0.000 1.120 207 F CB 0.586 38.815 39.000 -1.285 0.000 1.142 207 F HN 0.338 nan 8.300 nan 0.000 0.483 208 R N 7.589 127.688 120.500 -0.669 0.000 2.247 208 R HA 0.469 4.808 4.340 -0.000 0.000 0.329 208 R C -1.537 174.306 176.300 -0.761 0.000 1.014 208 R CA -0.484 55.354 56.100 -0.437 0.000 0.907 208 R CB 0.422 30.593 30.300 -0.214 0.000 1.146 208 R HN 0.789 nan 8.270 nan 0.000 0.499 209 L N 4.991 125.831 121.223 -0.638 0.000 2.334 209 L HA 0.315 4.655 4.340 -0.000 0.000 0.277 209 L C -0.204 176.356 176.870 -0.517 0.000 1.075 209 L CA -0.568 53.721 54.840 -0.918 0.000 0.804 209 L CB 0.765 42.179 42.059 -1.075 0.000 1.174 209 L HN 0.741 nan 8.230 nan 0.000 0.438 210 Y N 1.142 120.975 120.300 -0.778 0.000 3.001 210 Y HA -0.290 4.259 4.550 -0.000 0.000 0.199 210 Y C 0.852 176.604 175.900 -0.246 0.000 1.320 210 Y CA 0.269 57.685 58.100 -1.140 0.000 0.974 210 Y CB -2.040 35.902 38.460 -0.865 0.000 1.291 210 Y HN 0.684 nan 8.280 nan 0.000 0.465 211 H N -1.131 117.841 119.070 -0.163 0.000 2.660 211 H HA 0.600 5.156 4.556 -0.000 0.000 0.374 211 H C 1.142 176.663 175.328 0.321 0.000 1.291 211 H CA -0.625 55.463 56.048 0.066 0.000 1.437 211 H CB 1.118 30.863 29.762 -0.029 0.000 1.509 211 H HN 0.617 nan 8.280 nan 0.000 0.614 212 A N 1.625 124.456 122.820 0.017 0.000 2.822 212 A HA -0.305 4.015 4.320 -0.000 0.000 0.287 212 A C 1.334 178.761 177.584 -0.261 0.000 1.479 212 A CA 0.962 52.917 52.037 -0.135 0.000 0.779 212 A CB -2.522 16.405 19.000 -0.121 0.000 1.022 212 A HN 0.956 nan 8.150 nan 0.000 0.532 213 N N -0.422 118.191 118.700 -0.145 0.000 2.467 213 N HA -0.078 4.662 4.740 -0.000 0.000 0.184 213 N C 1.017 176.312 175.510 -0.357 0.000 1.106 213 N CA 1.339 54.284 53.050 -0.176 0.000 0.892 213 N CB -0.769 37.560 38.487 -0.262 0.000 0.969 213 N HN 0.978 nan 8.380 nan 0.000 0.454 214 T N -3.613 110.719 114.554 -0.369 0.000 3.169 214 T HA 0.316 4.666 4.350 -0.000 0.000 0.250 214 T C 0.915 175.388 174.700 -0.378 0.000 1.111 214 T CA -0.175 61.730 62.100 -0.325 0.000 1.010 214 T CB -0.002 68.669 68.868 -0.329 0.000 0.984 214 T HN 0.216 nan 8.240 nan 0.000 0.537 215 G N 0.693 109.108 108.800 -0.640 0.000 2.667 215 G HA2 0.496 4.456 3.960 -0.000 0.000 0.310 215 G HA3 0.496 4.456 3.960 -0.000 0.000 0.310 215 G C 0.209 174.615 174.900 -0.823 0.000 1.259 215 G CA -0.379 44.208 45.100 -0.855 0.000 1.019 215 G HN 0.301 nan 8.290 nan 0.000 0.496 216 S N -1.896 113.438 115.700 -0.610 0.000 2.754 216 S HA 0.059 4.529 4.470 -0.000 0.000 0.247 216 S C 0.941 175.370 174.600 -0.286 0.000 1.031 216 S CA -0.184 57.791 58.200 -0.375 0.000 1.014 216 S CB -0.426 62.681 63.200 -0.156 0.000 0.918 216 S HN 0.833 nan 8.310 nan 0.000 0.519 217 W N 0.318 121.398 121.300 -0.366 0.000 2.905 217 W HA 0.545 5.205 4.660 -0.001 0.000 0.251 217 W C 0.013 176.196 176.519 -0.560 0.000 1.305 217 W CA -0.858 56.232 57.345 -0.425 0.000 1.465 217 W CB -0.537 28.640 29.460 -0.471 0.000 1.122 217 W HN 0.094 nan 8.180 nan 0.000 0.659 218 F N 0.804 120.344 119.950 -0.683 0.000 2.541 218 F HA 0.227 4.754 4.527 -0.000 0.000 0.331 218 F C 1.546 176.824 175.800 -0.870 0.000 1.057 218 F CA -1.629 55.739 58.000 -1.054 0.000 0.975 218 F CB 0.700 38.450 39.000 -2.082 0.000 1.246 218 F HN -0.090 nan 8.300 nan 0.000 0.484 219 W N 0.351 121.362 121.300 -0.482 0.000 2.825 219 W HA -0.056 4.604 4.660 -0.000 0.000 0.243 219 W C 0.419 176.912 176.519 -0.043 0.000 1.293 219 W CA 0.015 57.251 57.345 -0.181 0.000 1.403 219 W CB -0.930 28.511 29.460 -0.032 0.000 1.134 219 W HN 0.789 nan 8.180 nan 0.000 0.666 220 W N 1.658 122.823 121.300 -0.225 0.000 3.123 220 W HA 0.686 5.346 4.660 -0.000 0.000 0.383 220 W C 0.675 177.165 176.519 -0.047 0.000 1.102 220 W CA -1.121 56.127 57.345 -0.163 0.000 1.865 220 W CB -0.843 28.313 29.460 -0.506 0.000 1.111 220 W HN -0.171 nan 8.180 nan 0.000 0.621 221 G N 1.527 110.192 108.800 -0.224 0.000 2.516 221 G HA2 0.070 4.030 3.960 -0.000 0.000 0.276 221 G HA3 0.070 4.030 3.960 -0.000 0.000 0.276 221 G C 0.688 175.508 174.900 -0.134 0.000 1.390 221 G CA 0.358 45.302 45.100 -0.260 0.000 1.050 221 G HN 0.242 nan 8.290 nan 0.000 0.519 222 D N -1.331 118.956 120.400 -0.188 0.000 2.323 222 D HA -0.039 4.601 4.640 -0.000 0.000 0.209 222 D C 1.521 177.783 176.300 -0.064 0.000 0.973 222 D CA 0.640 54.571 54.000 -0.115 0.000 0.874 222 D CB 0.073 40.793 40.800 -0.134 0.000 0.930 222 D HN 0.438 nan 8.370 nan 0.000 0.521 223 K N -0.559 119.798 120.400 -0.072 0.000 2.393 223 K HA 0.094 4.414 4.320 -0.000 0.000 0.193 223 K C 1.167 177.762 176.600 -0.008 0.000 1.026 223 K CA 0.229 56.496 56.287 -0.033 0.000 1.064 223 K CB 0.424 32.904 32.500 -0.034 0.000 0.833 223 K HN 0.009 nan 8.250 nan 0.000 0.521 224 Q N 0.064 119.863 119.800 -0.001 0.000 2.319 224 Q HA 0.077 4.417 4.340 -0.000 0.000 0.209 224 Q C -0.397 175.650 176.000 0.079 0.000 0.884 224 Q CA -0.057 55.774 55.803 0.046 0.000 0.938 224 Q CB 1.309 30.089 28.738 0.070 0.000 1.098 224 Q HN 0.146 nan 8.270 nan 0.000 0.517 225 S N -1.794 113.946 115.700 0.067 0.000 2.543 225 S HA 0.483 4.953 4.470 -0.000 0.000 0.274 225 S C -0.173 174.467 174.600 0.067 0.000 1.149 225 S CA -0.854 57.399 58.200 0.089 0.000 0.866 225 S CB 1.126 64.419 63.200 0.156 0.000 1.111 225 S HN 0.139 nan 8.310 nan 0.000 0.457 226 T N -0.558 114.032 114.554 0.060 0.000 2.813 226 T HA 0.431 4.781 4.350 -0.000 0.000 0.297 226 T C -1.889 172.856 174.700 0.075 0.000 1.036 226 T CA -1.067 61.063 62.100 0.051 0.000 1.044 226 T CB -0.120 68.770 68.868 0.038 0.000 0.993 226 T HN 0.326 nan 8.240 nan 0.000 0.535 227 P HA -0.132 nan 4.420 nan 0.000 0.216 227 P C 1.544 178.900 177.300 0.094 0.000 1.153 227 P CA 1.155 64.304 63.100 0.081 0.000 0.858 227 P CB 0.067 31.798 31.700 0.052 0.000 0.789 228 E N 0.024 120.256 120.200 0.053 0.000 2.077 228 E HA -0.227 4.122 4.350 -0.000 0.000 0.193 228 E C 2.064 178.676 176.600 0.020 0.000 0.989 228 E CA 1.645 58.061 56.400 0.027 0.000 0.800 228 E CB -0.831 28.877 29.700 0.014 0.000 0.746 228 E HN 0.234 nan 8.360 nan 0.000 0.452 229 Q N -1.260 118.564 119.800 0.039 0.000 2.084 229 Q HA -0.183 4.156 4.340 -0.000 0.000 0.202 229 Q C 1.963 177.981 176.000 0.029 0.000 0.978 229 Q CA 1.698 57.516 55.803 0.026 0.000 0.844 229 Q CB -0.386 28.378 28.738 0.044 0.000 0.898 229 Q HN 0.448 nan 8.270 nan 0.000 0.426 230 Y N 1.504 121.797 120.300 -0.011 0.000 2.145 230 Y HA -0.246 4.303 4.550 -0.000 0.000 0.286 230 Y C 1.792 177.677 175.900 -0.024 0.000 1.145 230 Y CA 1.654 59.751 58.100 -0.006 0.000 1.148 230 Y CB 0.113 38.591 38.460 0.030 0.000 0.981 230 Y HN -0.101 nan 8.280 nan 0.000 0.507 231 K N -0.397 119.997 120.400 -0.009 0.000 2.063 231 K HA -0.217 4.102 4.320 -0.000 0.000 0.208 231 K C 2.113 178.573 176.600 -0.234 0.000 1.048 231 K CA 1.551 57.743 56.287 -0.159 0.000 0.928 231 K CB -0.178 32.256 32.500 -0.110 0.000 0.713 231 K HN 0.344 nan 8.250 nan 0.000 0.442 232 Q N 0.739 120.439 119.800 -0.167 0.000 2.084 232 Q HA -0.140 4.199 4.340 -0.000 0.000 0.202 232 Q C 2.252 178.167 176.000 -0.141 0.000 0.978 232 Q CA 1.061 56.770 55.803 -0.157 0.000 0.844 232 Q CB -0.403 28.273 28.738 -0.103 0.000 0.898 232 Q HN 0.233 nan 8.270 nan 0.000 0.426 233 L N -0.058 121.056 121.223 -0.183 0.000 2.012 233 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 233 L C 2.170 178.977 176.870 -0.105 0.000 1.073 233 L CA 1.615 56.340 54.840 -0.191 0.000 0.748 233 L CB -0.696 41.123 42.059 -0.399 0.000 0.891 233 L HN 0.142 nan 8.230 nan 0.000 0.431 234 F N -0.039 119.674 119.950 -0.394 0.000 2.113 234 F HA -0.200 4.327 4.527 -0.000 0.000 0.297 234 F C 2.573 178.224 175.800 -0.248 0.000 1.103 234 F CA 1.558 59.436 58.000 -0.204 0.000 1.248 234 F CB -0.093 38.701 39.000 -0.344 0.000 0.999 234 F HN -0.029 nan 8.300 nan 0.000 0.475 235 R N -1.162 119.200 120.500 -0.232 0.000 2.075 235 R HA -0.218 4.121 4.340 -0.000 0.000 0.232 235 R C 2.157 178.172 176.300 -0.476 0.000 1.126 235 R CA 1.785 57.382 56.100 -0.839 0.000 0.963 235 R CB -1.083 28.422 30.300 -1.326 0.000 0.858 235 R HN 0.435 nan 8.270 nan 0.000 0.435 236 Y N 1.657 121.780 120.300 -0.296 0.000 2.165 236 Y HA -0.255 4.295 4.550 -0.000 0.000 0.286 236 Y C 2.216 178.113 175.900 -0.005 0.000 1.155 236 Y CA 1.730 59.760 58.100 -0.117 0.000 1.164 236 Y CB -0.236 38.174 38.460 -0.083 0.000 0.978 236 Y HN -0.080 nan 8.280 nan 0.000 0.513 237 S N -0.616 115.025 115.700 -0.098 0.000 2.355 237 S HA -0.153 4.316 4.470 -0.000 0.000 0.222 237 S C 2.140 176.716 174.600 -0.039 0.000 1.031 237 S CA 1.287 59.444 58.200 -0.072 0.000 0.993 237 S CB -0.691 62.601 63.200 0.154 0.000 0.859 237 S HN 0.330 nan 8.310 nan 0.000 0.453 238 V N 1.991 121.846 119.914 -0.098 0.000 2.295 238 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 238 V C 2.515 178.626 176.094 0.029 0.000 1.049 238 V CA 2.057 64.281 62.300 -0.126 0.000 1.024 238 V CB -0.636 31.100 31.823 -0.146 0.000 0.648 238 V HN 0.546 nan 8.190 nan 0.000 0.447 239 E N -0.813 119.444 120.200 0.096 0.000 2.085 239 E HA -0.304 4.046 4.350 -0.000 0.000 0.194 239 E C 2.176 178.779 176.600 0.005 0.000 0.994 239 E CA 1.937 58.409 56.400 0.121 0.000 0.801 239 E CB -0.293 29.496 29.700 0.149 0.000 0.743 239 E HN 0.713 nan 8.360 nan 0.000 0.453 240 Y N 0.833 120.988 120.300 -0.242 0.000 2.145 240 Y HA -0.197 4.353 4.550 -0.000 0.000 0.286 240 Y C 2.029 177.868 175.900 -0.102 0.000 1.145 240 Y CA 1.764 59.712 58.100 -0.253 0.000 1.148 240 Y CB -0.100 38.078 38.460 -0.470 0.000 0.981 240 Y HN 0.025 nan 8.280 nan 0.000 0.507 241 L N -0.259 121.053 121.223 0.148 0.000 2.017 241 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 241 L C 2.747 179.633 176.870 0.027 0.000 1.073 241 L CA 1.838 56.749 54.840 0.118 0.000 0.745 241 L CB -0.569 41.637 42.059 0.244 0.000 0.894 241 L HN 0.131 nan 8.230 nan 0.000 0.432 242 R N -0.125 120.418 120.500 0.072 0.000 2.057 242 R HA -0.134 4.206 4.340 -0.000 0.000 0.229 242 R C 1.757 178.044 176.300 -0.021 0.000 1.136 242 R CA 1.840 57.971 56.100 0.051 0.000 0.952 242 R CB 0.003 30.358 30.300 0.092 0.000 0.848 242 R HN 0.323 nan 8.270 nan 0.000 0.430 243 D N -0.535 119.843 120.400 -0.037 0.000 2.259 243 D HA -0.041 4.598 4.640 -0.000 0.000 0.216 243 D C 1.967 178.192 176.300 -0.125 0.000 0.961 243 D CA 0.789 54.754 54.000 -0.060 0.000 0.878 243 D CB -0.043 40.743 40.800 -0.024 0.000 1.009 243 D HN 0.070 nan 8.370 nan 0.000 0.490 244 V N 1.247 121.026 119.914 -0.225 0.000 2.407 244 V HA -0.088 4.032 4.120 -0.000 0.000 0.245 244 V C 1.876 177.781 176.094 -0.314 0.000 1.041 244 V CA 1.276 63.372 62.300 -0.340 0.000 1.040 244 V CB -0.146 31.264 31.823 -0.689 0.000 0.671 244 V HN 0.081 nan 8.190 nan 0.000 0.455 245 K N -0.289 119.932 120.400 -0.297 0.000 2.353 245 K HA 0.313 4.633 4.320 -0.000 0.000 0.195 245 K C 1.425 177.943 176.600 -0.136 0.000 1.031 245 K CA 0.763 56.930 56.287 -0.200 0.000 1.079 245 K CB 0.567 32.968 32.500 -0.164 0.000 0.857 245 K HN 0.494 nan 8.250 nan 0.000 0.535 246 G N 1.873 110.602 108.800 -0.120 0.000 2.147 246 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.244 246 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.244 246 G C 0.155 174.987 174.900 -0.113 0.000 1.005 246 G CA 0.197 45.238 45.100 -0.098 0.000 0.713 246 G HN 0.101 nan 8.290 nan 0.000 0.515 247 V N 0.821 120.652 119.914 -0.138 0.000 2.540 247 V HA 0.257 4.377 4.120 -0.000 0.000 0.297 247 V C 1.441 177.448 176.094 -0.144 0.000 1.024 247 V CA 0.388 62.551 62.300 -0.230 0.000 1.105 247 V CB 1.167 32.747 31.823 -0.405 0.000 0.938 247 V HN 0.392 nan 8.190 nan 0.000 0.482 248 R N 3.314 123.721 120.500 -0.156 0.000 2.509 248 R HA 0.156 4.496 4.340 -0.000 0.000 0.297 248 R C 0.611 176.885 176.300 -0.044 0.000 0.951 248 R CA 0.039 56.098 56.100 -0.068 0.000 1.103 248 R CB 0.212 30.475 30.300 -0.061 0.000 1.283 248 R HN 0.883 nan 8.270 nan 0.000 0.534 249 N N -0.331 118.312 118.700 -0.094 0.000 2.351 249 N HA 0.083 4.823 4.740 -0.000 0.000 0.254 249 N C -0.324 175.310 175.510 0.207 0.000 1.241 249 N CA -0.197 52.851 53.050 -0.002 0.000 0.883 249 N CB 0.032 38.468 38.487 -0.085 0.000 1.202 249 N HN -0.010 nan 8.380 nan 0.000 0.512 250 F N 0.861 120.768 119.950 -0.071 0.000 2.469 250 F HA 0.490 5.016 4.527 -0.000 0.000 0.332 250 F C 0.198 175.898 175.800 -0.166 0.000 1.103 250 F CA -1.246 56.641 58.000 -0.188 0.000 0.979 250 F CB 2.073 40.781 39.000 -0.487 0.000 1.137 250 F HN -0.292 nan 8.300 nan 0.000 0.463 251 L N 3.267 124.514 121.223 0.039 0.000 2.334 251 L HA 0.387 4.727 4.340 -0.000 0.000 0.275 251 L C -1.212 175.609 176.870 -0.083 0.000 1.036 251 L CA -0.952 53.949 54.840 0.102 0.000 0.807 251 L CB 1.388 43.598 42.059 0.252 0.000 1.231 251 L HN 0.498 nan 8.230 nan 0.000 0.438 252 Y N 1.158 121.645 120.300 0.312 0.000 2.331 252 Y HA 0.607 5.157 4.550 -0.001 0.000 0.338 252 Y C 0.354 176.466 175.900 0.353 0.000 0.992 252 Y CA -0.597 57.693 58.100 0.317 0.000 1.121 252 Y CB 1.842 40.530 38.460 0.381 0.000 1.184 252 Y HN 0.575 nan 8.280 nan 0.000 0.469 253 A N 3.165 126.232 122.820 0.412 0.000 2.340 253 A HA 0.659 4.978 4.320 -0.000 0.000 0.331 253 A C -2.076 175.839 177.584 0.552 0.000 1.140 253 A CA -0.650 51.628 52.037 0.401 0.000 0.801 253 A CB 0.807 19.949 19.000 0.238 0.000 1.234 253 A HN 0.680 nan 8.150 nan 0.000 0.469 254 Y N 1.734 122.269 120.300 0.391 0.000 2.393 254 Y HA 0.565 5.115 4.550 -0.001 0.000 0.341 254 Y C -0.124 175.955 175.900 0.298 0.000 0.988 254 Y CA -0.789 57.524 58.100 0.354 0.000 1.078 254 Y CB 2.113 40.730 38.460 0.262 0.000 1.203 254 Y HN 0.798 nan 8.280 nan 0.000 0.453 255 S N 7.570 123.006 115.700 -0.439 0.000 2.385 255 S HA 0.446 4.916 4.470 -0.000 0.000 0.191 255 S C -3.393 170.991 174.600 -0.360 0.000 1.196 255 S CA -1.183 56.858 58.200 -0.266 0.000 1.178 255 S CB 1.412 64.614 63.200 0.004 0.000 1.258 255 S HN 0.471 nan 8.310 nan 0.000 0.430 256 P HA 0.332 nan 4.420 nan 0.000 0.279 256 P C -0.525 176.661 177.300 -0.191 0.000 1.282 256 P CA -0.558 62.308 63.100 -0.391 0.000 0.788 256 P CB 0.677 32.115 31.700 -0.436 0.000 1.139 257 N N 0.664 119.214 118.700 -0.249 0.000 2.424 257 N HA 0.043 4.783 4.740 -0.000 0.000 0.257 257 N C 0.394 175.722 175.510 -0.303 0.000 1.250 257 N CA -0.098 52.872 53.050 -0.133 0.000 0.946 257 N CB -0.102 38.331 38.487 -0.090 0.000 1.175 257 N HN 0.496 nan 8.380 nan 0.000 0.477 258 N N 0.410 119.051 118.700 -0.099 0.000 2.353 258 N HA -0.063 4.676 4.740 -0.000 0.000 0.248 258 N C -0.822 174.355 175.510 -0.555 0.000 1.240 258 N CA 0.491 53.360 53.050 -0.302 0.000 0.862 258 N CB 0.059 38.386 38.487 -0.268 0.000 1.086 258 N HN 0.263 nan 8.380 nan 0.000 0.453 259 F N 0.055 119.813 119.950 -0.320 0.000 2.399 259 F HA 0.291 4.818 4.527 -0.000 0.000 0.334 259 F C 0.853 176.442 175.800 -0.351 0.000 1.097 259 F CA -0.839 57.033 58.000 -0.213 0.000 1.076 259 F CB 0.825 39.753 39.000 -0.120 0.000 1.162 259 F HN 0.554 nan 8.300 nan 0.000 0.495 260 W N -0.298 121.089 121.300 0.145 0.000 2.812 260 W HA 0.026 4.686 4.660 -0.001 0.000 0.263 260 W C 0.443 177.010 176.519 0.081 0.000 1.284 260 W CA 0.068 57.465 57.345 0.088 0.000 1.430 260 W CB 0.254 29.758 29.460 0.074 0.000 1.088 260 W HN 0.257 nan 8.180 nan 0.000 0.623 261 D N 0.509 121.081 120.400 0.286 0.000 2.485 261 D HA 0.152 4.792 4.640 -0.000 0.000 0.221 261 D C -0.612 175.734 176.300 0.076 0.000 1.112 261 D CA -0.205 53.890 54.000 0.158 0.000 0.911 261 D CB 0.708 41.590 40.800 0.137 0.000 1.019 261 D HN -0.299 nan 8.370 nan 0.000 0.516 262 V N 4.677 124.602 119.914 0.018 0.000 2.287 262 V HA 0.259 4.379 4.120 -0.000 0.000 0.246 262 V C 0.769 176.792 176.094 -0.119 0.000 1.165 262 V CA -0.046 62.214 62.300 -0.068 0.000 1.088 262 V CB -0.372 31.392 31.823 -0.099 0.000 1.242 262 V HN 0.682 nan 8.190 nan 0.000 0.497 263 T N -0.672 113.771 114.554 -0.185 0.000 2.906 263 T HA 0.420 4.770 4.350 -0.000 0.000 0.295 263 T C 0.722 175.285 174.700 -0.228 0.000 1.061 263 T CA -0.601 61.396 62.100 -0.172 0.000 1.000 263 T CB 2.344 71.138 68.868 -0.123 0.000 1.103 263 T HN 0.444 nan 8.240 nan 0.000 0.486 264 E N 0.887 120.985 120.200 -0.170 0.000 2.110 264 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 264 E C 2.215 178.740 176.600 -0.125 0.000 0.988 264 E CA 1.321 57.627 56.400 -0.158 0.000 0.804 264 E CB -0.444 29.180 29.700 -0.128 0.000 0.745 264 E HN 0.796 nan 8.360 nan 0.000 0.458 265 A N 1.203 123.956 122.820 -0.111 0.000 1.902 265 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 265 A C 1.927 179.440 177.584 -0.118 0.000 1.181 265 A CA 1.645 53.634 52.037 -0.080 0.000 0.623 265 A CB -0.572 18.395 19.000 -0.056 0.000 0.818 265 A HN 0.259 nan 8.150 nan 0.000 0.443 266 N N -1.463 117.100 118.700 -0.230 0.000 2.142 266 N HA -0.154 4.586 4.740 -0.000 0.000 0.186 266 N C 1.568 176.753 175.510 -0.542 0.000 1.023 266 N CA 1.599 54.432 53.050 -0.361 0.000 0.852 266 N CB -0.647 37.543 38.487 -0.495 0.000 0.998 266 N HN 0.662 nan 8.380 nan 0.000 0.424 267 Y N 1.414 121.249 120.300 -0.775 0.000 2.224 267 Y HA -0.036 4.514 4.550 -0.000 0.000 0.289 267 Y C 2.020 177.885 175.900 -0.059 0.000 1.146 267 Y CA 1.207 59.052 58.100 -0.426 0.000 1.182 267 Y CB -0.136 38.132 38.460 -0.320 0.000 0.983 267 Y HN -0.003 nan 8.280 nan 0.000 0.524 268 L N -0.013 121.255 121.223 0.074 0.000 2.376 268 L HA -0.134 4.206 4.340 -0.000 0.000 0.219 268 L C 2.340 179.274 176.870 0.108 0.000 1.133 268 L CA 1.081 55.996 54.840 0.125 0.000 0.816 268 L CB -0.481 41.629 42.059 0.086 0.000 0.933 268 L HN 0.307 nan 8.230 nan 0.000 0.449 269 E N 1.084 121.317 120.200 0.055 0.000 2.070 269 E HA -0.231 4.119 4.350 -0.000 0.000 0.197 269 E C 1.761 178.398 176.600 0.062 0.000 1.004 269 E CA 1.368 57.800 56.400 0.054 0.000 0.805 269 E CB 0.188 29.917 29.700 0.048 0.000 0.744 269 E HN 0.427 nan 8.360 nan 0.000 0.451 270 R N -0.812 119.729 120.500 0.068 0.000 2.472 270 R HA 0.062 4.401 4.340 -0.000 0.000 0.279 270 R C -0.375 175.904 176.300 -0.035 0.000 0.953 270 R CA -0.419 55.711 56.100 0.049 0.000 1.088 270 R CB 0.326 30.595 30.300 -0.053 0.000 1.197 270 R HN 0.134 nan 8.270 nan 0.000 0.536 271 Y N 2.913 123.067 120.300 -0.243 0.000 2.632 271 Y HA 0.062 4.611 4.550 -0.000 0.000 0.329 271 Y C -1.740 173.894 175.900 -0.443 0.000 1.174 271 Y CA -2.384 55.384 58.100 -0.553 0.000 1.469 271 Y CB 0.946 39.305 38.460 -0.168 0.000 1.242 271 Y HN -0.064 nan 8.280 nan 0.000 0.540 272 P HA 0.115 nan 4.420 nan 0.000 0.223 272 P C -0.349 176.566 177.300 -0.641 0.000 1.151 272 P CA 1.632 64.242 63.100 -0.818 0.000 0.787 272 P CB 0.114 31.160 31.700 -1.090 0.000 0.788 273 G N -0.462 107.582 108.800 -1.260 0.000 2.576 273 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.686 273 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.686 273 G C -0.250 174.455 174.900 -0.325 0.000 1.242 273 G CA -0.415 44.323 45.100 -0.602 0.000 0.819 273 G HN -0.143 nan 8.290 nan 0.000 0.655 274 D N 0.070 120.499 120.400 0.050 0.000 2.263 274 D HA -0.040 4.600 4.640 -0.000 0.000 0.208 274 D C 2.094 178.397 176.300 0.004 0.000 0.971 274 D CA 1.175 55.264 54.000 0.149 0.000 0.867 274 D CB 0.253 41.151 40.800 0.163 0.000 0.929 274 D HN 0.483 nan 8.370 nan 0.000 0.492 275 E N -1.155 118.965 120.200 -0.133 0.000 2.482 275 E HA -0.073 4.277 4.350 -0.000 0.000 0.196 275 E C 1.024 177.223 176.600 -0.669 0.000 1.047 275 E CA 0.311 56.448 56.400 -0.438 0.000 0.869 275 E CB -0.079 29.235 29.700 -0.643 0.000 0.836 275 E HN 0.556 nan 8.360 nan 0.000 0.520 276 W N -0.365 120.921 121.300 -0.022 0.000 2.725 276 W HA 0.188 4.848 4.660 -0.000 0.000 0.336 276 W C -0.005 176.608 176.519 0.156 0.000 1.012 276 W CA -0.081 57.277 57.345 0.023 0.000 1.566 276 W CB 1.081 30.524 29.460 -0.028 0.000 1.068 276 W HN -0.323 nan 8.180 nan 0.000 0.546 277 V N 1.205 121.306 119.914 0.311 0.000 2.638 277 V HA 0.219 4.339 4.120 -0.000 0.000 0.306 277 V C -0.043 176.287 176.094 0.394 0.000 1.052 277 V CA -0.594 61.958 62.300 0.419 0.000 0.885 277 V CB 2.252 34.310 31.823 0.392 0.000 0.999 277 V HN -0.084 nan 8.190 nan 0.000 0.424 278 D N 1.910 122.581 120.400 0.451 0.000 2.324 278 D HA 0.129 4.769 4.640 -0.000 0.000 0.212 278 D C 0.172 176.747 176.300 0.457 0.000 0.984 278 D CA 1.001 55.277 54.000 0.459 0.000 0.885 278 D CB 1.485 42.572 40.800 0.477 0.000 0.996 278 D HN 0.313 nan 8.370 nan 0.000 0.505 279 V N 2.217 122.371 119.914 0.400 0.000 2.483 279 V HA 0.296 4.415 4.120 -0.000 0.000 0.297 279 V C -0.304 175.978 176.094 0.313 0.000 1.027 279 V CA -0.635 61.841 62.300 0.294 0.000 0.855 279 V CB 2.407 34.384 31.823 0.257 0.000 0.995 279 V HN -0.032 nan 8.190 nan 0.000 0.424 280 L N 5.142 126.507 121.223 0.237 0.000 2.262 280 L HA 0.775 5.115 4.340 -0.000 0.000 0.288 280 L C 0.778 177.773 176.870 0.208 0.000 1.035 280 L CA 0.077 55.088 54.840 0.285 0.000 0.820 280 L CB 1.082 43.218 42.059 0.129 0.000 1.204 280 L HN 0.782 nan 8.230 nan 0.000 0.424 281 G N 2.404 111.367 108.800 0.271 0.000 3.140 281 G HA2 0.833 4.792 3.960 -0.000 0.000 0.271 281 G HA3 0.833 4.792 3.960 -0.000 0.000 0.271 281 G C -1.341 173.762 174.900 0.337 0.000 1.370 281 G CA -0.485 44.716 45.100 0.168 0.000 1.014 281 G HN 0.485 nan 8.290 nan 0.000 0.541 282 F N -2.021 117.955 119.950 0.044 0.000 2.713 282 F HA 0.706 5.233 4.527 -0.000 0.000 0.311 282 F C -2.100 173.702 175.800 0.003 0.000 1.141 282 F CA -1.336 56.674 58.000 0.017 0.000 0.939 282 F CB 1.604 40.640 39.000 0.059 0.000 1.325 282 F HN 0.313 nan 8.300 nan 0.000 0.453 283 D N 0.691 121.120 120.400 0.048 0.000 2.362 283 D HA 0.589 5.229 4.640 -0.000 0.000 0.247 283 D C -1.121 175.252 176.300 0.122 0.000 1.050 283 D CA -0.098 53.904 54.000 0.003 0.000 0.839 283 D CB 2.161 43.044 40.800 0.139 0.000 1.283 283 D HN 0.819 nan 8.370 nan 0.000 0.477 284 T N 1.533 116.094 114.554 0.012 0.000 3.105 284 T HA 0.508 4.857 4.350 -0.000 0.000 0.321 284 T C -1.902 172.854 174.700 0.094 0.000 1.135 284 T CA -0.459 61.765 62.100 0.207 0.000 1.053 284 T CB 0.198 69.231 68.868 0.275 0.000 1.133 284 T HN 0.176 nan 8.240 nan 0.000 0.463 285 Y N 1.937 122.438 120.300 0.336 0.000 2.361 285 Y HA 0.680 5.230 4.550 -0.000 0.000 0.337 285 Y C 0.720 176.539 175.900 -0.135 0.000 0.965 285 Y CA -0.480 57.689 58.100 0.114 0.000 1.091 285 Y CB 2.510 40.963 38.460 -0.013 0.000 1.182 285 Y HN 0.885 nan 8.280 nan 0.000 0.450 286 G N 2.420 110.803 108.800 -0.694 0.000 2.788 286 G HA2 0.686 4.646 3.960 -0.000 0.000 0.293 286 G HA3 0.686 4.646 3.960 -0.000 0.000 0.293 286 G C -3.156 171.334 174.900 -0.684 0.000 1.305 286 G CA -2.267 42.004 45.100 -1.382 0.000 1.005 286 G HN 0.249 nan 8.290 nan 0.000 0.496 287 P HA 0.152 nan 4.420 nan 0.000 0.275 287 P C 0.865 178.061 177.300 -0.173 0.000 1.228 287 P CA -0.367 62.594 63.100 -0.232 0.000 0.786 287 P CB 1.928 33.568 31.700 -0.100 0.000 0.927 288 V N 1.434 121.271 119.914 -0.128 0.000 2.809 288 V HA 0.076 4.196 4.120 -0.000 0.000 0.256 288 V C 0.654 176.748 176.094 0.000 0.000 1.080 288 V CA 1.805 64.055 62.300 -0.083 0.000 1.102 288 V CB -0.736 31.002 31.823 -0.141 0.000 0.705 288 V HN 0.717 nan 8.190 nan 0.000 0.475 289 A N -0.731 122.087 122.820 -0.003 0.000 2.423 289 A HA 0.607 4.926 4.320 -0.000 0.000 0.304 289 A C 0.115 177.738 177.584 0.066 0.000 1.104 289 A CA 0.207 52.259 52.037 0.026 0.000 0.757 289 A CB 1.039 20.027 19.000 -0.020 0.000 1.313 289 A HN 0.359 nan 8.150 nan 0.000 0.423 290 D N 0.030 120.483 120.400 0.087 0.000 2.697 290 D HA -0.172 4.467 4.640 -0.000 0.000 0.235 290 D C 0.249 176.648 176.300 0.165 0.000 1.167 290 D CA 1.484 55.547 54.000 0.105 0.000 0.656 290 D CB -0.914 39.925 40.800 0.065 0.000 1.025 290 D HN 0.693 nan 8.370 nan 0.000 0.419 291 N N -0.937 117.913 118.700 0.251 0.000 2.238 291 N HA 0.363 5.103 4.740 -0.000 0.000 0.222 291 N C 1.483 177.312 175.510 0.533 0.000 1.133 291 N CA 0.192 53.473 53.050 0.385 0.000 0.854 291 N CB 0.219 38.950 38.487 0.405 0.000 1.041 291 N HN 0.211 nan 8.380 nan 0.000 0.510 292 A N 0.894 123.934 122.820 0.366 0.000 1.902 292 A HA -0.174 4.145 4.320 -0.000 0.000 0.217 292 A C 1.620 179.393 177.584 0.315 0.000 1.181 292 A CA 1.669 53.896 52.037 0.317 0.000 0.623 292 A CB -0.466 18.641 19.000 0.178 0.000 0.818 292 A HN 0.226 nan 8.150 nan 0.000 0.443 293 D N -1.642 118.934 120.400 0.293 0.000 2.117 293 D HA -0.160 4.480 4.640 -0.000 0.000 0.197 293 D C 1.542 178.072 176.300 0.382 0.000 0.987 293 D CA 1.182 55.357 54.000 0.291 0.000 0.829 293 D CB -0.444 40.520 40.800 0.273 0.000 0.961 293 D HN 0.743 nan 8.370 nan 0.000 0.460 294 W N 0.508 121.973 121.300 0.275 0.000 2.358 294 W HA -0.166 4.493 4.660 -0.000 0.000 0.303 294 W C 1.935 178.474 176.519 0.032 0.000 1.208 294 W CA 1.227 58.701 57.345 0.215 0.000 1.274 294 W CB -0.658 28.896 29.460 0.157 0.000 1.138 294 W HN -0.123 nan 8.180 nan 0.000 0.515 295 F N 0.443 120.456 119.950 0.106 0.000 2.186 295 F HA -0.129 4.397 4.527 -0.000 0.000 0.299 295 F C 2.624 178.290 175.800 -0.223 0.000 1.090 295 F CA 1.995 59.884 58.000 -0.185 0.000 1.307 295 F CB -0.651 38.344 39.000 -0.007 0.000 1.019 295 F HN -0.274 nan 8.300 nan 0.000 0.489 296 R N -0.125 120.432 120.500 0.094 0.000 2.091 296 R HA -0.226 4.114 4.340 -0.000 0.000 0.238 296 R C 1.887 178.119 176.300 -0.113 0.000 1.136 296 R CA 1.732 57.838 56.100 0.010 0.000 0.959 296 R CB -0.689 29.648 30.300 0.060 0.000 0.856 296 R HN 0.259 nan 8.270 nan 0.000 0.437 297 N N 0.139 118.719 118.700 -0.200 0.000 2.188 297 N HA -0.122 4.618 4.740 -0.000 0.000 0.184 297 N C 1.558 176.766 175.510 -0.505 0.000 1.018 297 N CA 0.854 53.667 53.050 -0.394 0.000 0.858 297 N CB 0.104 38.187 38.487 -0.673 0.000 0.989 297 N HN -0.059 nan 8.380 nan 0.000 0.426 298 V N -0.274 119.276 119.914 -0.607 0.000 2.255 298 V HA -0.215 3.905 4.120 -0.000 0.000 0.247 298 V C 2.238 178.217 176.094 -0.192 0.000 1.051 298 V CA 1.515 63.538 62.300 -0.462 0.000 1.018 298 V CB -0.573 30.848 31.823 -0.670 0.000 0.641 298 V HN 0.194 nan 8.190 nan 0.000 0.445 299 V N 0.309 120.125 119.914 -0.164 0.000 2.343 299 V HA -0.264 3.855 4.120 -0.000 0.000 0.247 299 V C 2.700 178.722 176.094 -0.121 0.000 1.051 299 V CA 2.037 64.284 62.300 -0.089 0.000 1.036 299 V CB -1.215 30.574 31.823 -0.057 0.000 0.654 299 V HN 0.564 nan 8.190 nan 0.000 0.451 300 A N 0.104 122.824 122.820 -0.167 0.000 1.902 300 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 300 A C 2.133 179.566 177.584 -0.252 0.000 1.181 300 A CA 1.986 53.916 52.037 -0.178 0.000 0.623 300 A CB -0.656 18.245 19.000 -0.165 0.000 0.818 300 A HN 0.620 nan 8.150 nan 0.000 0.443 301 N N 0.097 118.556 118.700 -0.401 0.000 2.188 301 N HA -0.101 4.639 4.740 -0.000 0.000 0.184 301 N C 1.989 177.184 175.510 -0.525 0.000 1.018 301 N CA 1.282 53.923 53.050 -0.682 0.000 0.858 301 N CB -0.259 37.374 38.487 -1.423 0.000 0.989 301 N HN 0.480 nan 8.380 nan 0.000 0.426 302 A N 1.294 123.999 122.820 -0.191 0.000 1.930 302 A HA 0.045 4.365 4.320 -0.000 0.000 0.217 302 A C 2.389 179.952 177.584 -0.036 0.000 1.175 302 A CA 1.626 53.721 52.037 0.097 0.000 0.627 302 A CB -0.594 18.500 19.000 0.157 0.000 0.815 302 A HN 0.320 nan 8.150 nan 0.000 0.443 303 A N -0.330 122.435 122.820 -0.090 0.000 1.902 303 A HA -0.036 4.284 4.320 -0.000 0.000 0.217 303 A C 2.142 179.649 177.584 -0.129 0.000 1.181 303 A CA 1.735 53.715 52.037 -0.095 0.000 0.623 303 A CB -0.656 18.287 19.000 -0.094 0.000 0.818 303 A HN 0.712 nan 8.150 nan 0.000 0.443 304 L N 0.690 121.806 121.223 -0.178 0.000 1.994 304 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 304 L C 2.555 179.268 176.870 -0.262 0.000 1.071 304 L CA 2.677 57.384 54.840 -0.221 0.000 0.745 304 L CB -0.661 41.241 42.059 -0.261 0.000 0.892 304 L HN 0.384 nan 8.230 nan 0.000 0.431 305 V N -2.216 117.539 119.914 -0.264 0.000 2.490 305 V HA -0.129 3.990 4.120 -0.000 0.000 0.250 305 V C 2.525 178.520 176.094 -0.166 0.000 1.061 305 V CA 1.444 63.581 62.300 -0.272 0.000 1.064 305 V CB -2.010 29.733 31.823 -0.133 0.000 0.670 305 V HN 0.473 nan 8.190 nan 0.000 0.461 306 A N 0.771 123.525 122.820 -0.111 0.000 1.898 306 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 306 A C 2.453 179.982 177.584 -0.092 0.000 1.181 306 A CA 1.790 53.777 52.037 -0.083 0.000 0.620 306 A CB -0.527 18.438 19.000 -0.058 0.000 0.819 306 A HN 0.558 nan 8.150 nan 0.000 0.442 307 R N -1.034 119.400 120.500 -0.109 0.000 2.075 307 R HA -0.017 4.323 4.340 -0.000 0.000 0.232 307 R C 2.265 178.500 176.300 -0.108 0.000 1.126 307 R CA 1.566 57.607 56.100 -0.099 0.000 0.963 307 R CB -0.405 29.835 30.300 -0.100 0.000 0.858 307 R HN 0.542 nan 8.270 nan 0.000 0.435 308 M N 0.174 119.679 119.600 -0.157 0.000 2.108 308 M HA -0.145 4.335 4.480 -0.000 0.000 0.261 308 M C 2.558 178.792 176.300 -0.111 0.000 1.066 308 M CA 1.834 57.031 55.300 -0.172 0.000 1.107 308 M CB -0.373 32.045 32.600 -0.304 0.000 1.356 308 M HN 0.228 nan 8.290 nan 0.000 0.406 309 A N 0.048 122.809 122.820 -0.098 0.000 1.902 309 A HA -0.207 4.112 4.320 -0.000 0.000 0.217 309 A C 1.953 179.529 177.584 -0.012 0.000 1.181 309 A CA 2.084 54.099 52.037 -0.036 0.000 0.623 309 A CB -0.675 18.301 19.000 -0.040 0.000 0.818 309 A HN 0.455 nan 8.150 nan 0.000 0.443 310 E N 0.488 120.669 120.200 -0.032 0.000 2.077 310 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 310 E C 1.939 178.537 176.600 -0.004 0.000 0.989 310 E CA 1.746 58.136 56.400 -0.017 0.000 0.800 310 E CB -0.522 29.160 29.700 -0.031 0.000 0.746 310 E HN 0.460 nan 8.360 nan 0.000 0.452 311 A N 0.159 122.969 122.820 -0.017 0.000 2.015 311 A HA -0.074 4.245 4.320 -0.000 0.000 0.219 311 A C 1.995 179.589 177.584 0.016 0.000 1.163 311 A CA 1.486 53.518 52.037 -0.008 0.000 0.646 311 A CB -0.243 18.741 19.000 -0.026 0.000 0.806 311 A HN 0.203 nan 8.150 nan 0.000 0.448 312 R N -1.843 118.675 120.500 0.030 0.000 2.397 312 R HA 0.293 4.633 4.340 -0.000 0.000 0.241 312 R C 0.941 177.305 176.300 0.107 0.000 0.914 312 R CA 0.479 56.619 56.100 0.068 0.000 1.071 312 R CB 0.333 30.679 30.300 0.077 0.000 1.116 312 R HN 0.583 nan 8.270 nan 0.000 0.524 313 G N 1.989 110.853 108.800 0.106 0.000 2.198 313 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.257 313 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.257 313 G C -0.222 174.848 174.900 0.284 0.000 1.042 313 G CA 0.245 45.447 45.100 0.170 0.000 0.791 313 G HN 0.049 nan 8.290 nan 0.000 0.502 314 K N -0.546 119.975 120.400 0.201 0.000 2.280 314 K HA 0.730 5.049 4.320 -0.000 0.000 0.234 314 K C 0.368 177.002 176.600 0.057 0.000 1.028 314 K CA -1.225 55.203 56.287 0.234 0.000 0.882 314 K CB 1.110 33.732 32.500 0.205 0.000 1.194 314 K HN 0.059 nan 8.250 nan 0.000 0.458 315 I N 3.548 124.127 120.570 0.016 0.000 2.321 315 I HA 0.263 4.433 4.170 -0.000 0.000 0.291 315 I C -2.232 173.858 176.117 -0.047 0.000 0.998 315 I CA -2.913 58.328 61.300 -0.099 0.000 1.227 315 I CB 0.853 38.758 38.000 -0.157 0.000 1.368 315 I HN 0.168 nan 8.210 nan 0.000 0.466 316 P HA 0.461 nan 4.420 nan 0.000 0.288 316 P C -0.761 176.438 177.300 -0.168 0.000 1.267 316 P CA -0.296 62.758 63.100 -0.077 0.000 0.815 316 P CB 2.033 33.694 31.700 -0.065 0.000 0.989 317 V N 0.287 120.079 119.914 -0.205 0.000 3.206 317 V HA 0.569 4.688 4.120 -0.000 0.000 0.305 317 V C -0.802 175.097 176.094 -0.326 0.000 1.257 317 V CA -1.158 60.876 62.300 -0.443 0.000 1.057 317 V CB 2.011 33.232 31.823 -1.004 0.000 1.075 317 V HN 0.283 nan 8.190 nan 0.000 0.443 318 I N 2.631 122.966 120.570 -0.392 0.000 2.306 318 I HA 0.319 4.489 4.170 -0.000 0.000 0.288 318 I C 1.342 177.273 176.117 -0.310 0.000 1.036 318 I CA -0.113 60.878 61.300 -0.515 0.000 1.221 318 I CB 1.896 39.640 38.000 -0.426 0.000 1.385 318 I HN 0.901 nan 8.210 nan 0.000 0.472 319 S N 3.760 119.303 115.700 -0.262 0.000 2.461 319 S HA 0.136 4.606 4.470 -0.000 0.000 0.228 319 S C 0.541 175.188 174.600 0.078 0.000 1.005 319 S CA 0.261 58.465 58.200 0.006 0.000 0.942 319 S CB 0.042 63.273 63.200 0.052 0.000 0.776 319 S HN 0.651 nan 8.310 nan 0.000 0.514 320 E N -0.055 120.116 120.200 -0.048 0.000 2.304 320 E HA 0.659 5.009 4.350 -0.000 0.000 0.277 320 E C -1.705 174.745 176.600 -0.250 0.000 0.898 320 E CA -0.391 55.989 56.400 -0.033 0.000 0.764 320 E CB 2.499 32.236 29.700 0.061 0.000 1.216 320 E HN 0.300 nan 8.360 nan 0.000 0.419 321 I N 1.338 121.758 120.570 -0.249 0.000 2.752 321 I HA 0.774 4.944 4.170 -0.000 0.000 0.295 321 I C -1.186 174.838 176.117 -0.155 0.000 1.219 321 I CA -0.215 60.951 61.300 -0.223 0.000 1.030 321 I CB 1.905 39.925 38.000 0.033 0.000 1.259 321 I HN 0.646 nan 8.210 nan 0.000 0.423 322 G N 6.273 114.985 108.800 -0.147 0.000 2.489 322 G HA2 0.357 4.317 3.960 -0.000 0.000 0.291 322 G HA3 0.357 4.317 3.960 -0.000 0.000 0.291 322 G C -1.413 173.515 174.900 0.045 0.000 1.487 322 G CA -0.886 44.203 45.100 -0.019 0.000 0.795 322 G HN 0.655 nan 8.290 nan 0.000 0.513 323 I N 1.494 121.904 120.570 -0.266 0.000 2.775 323 I HA 0.089 4.258 4.170 -0.000 0.000 0.290 323 I C 1.641 177.840 176.117 0.136 0.000 1.203 323 I CA -0.249 60.889 61.300 -0.269 0.000 1.433 323 I CB 0.570 38.251 38.000 -0.532 0.000 1.354 323 I HN 0.577 nan 8.210 nan 0.000 0.579 324 R N 5.865 126.382 120.500 0.027 0.000 2.583 324 R HA 0.091 4.431 4.340 -0.000 0.000 0.274 324 R C 0.927 177.232 176.300 0.009 0.000 0.998 324 R CA 0.230 56.372 56.100 0.070 0.000 1.081 324 R CB 0.246 30.512 30.300 -0.057 0.000 0.940 324 R HN 0.770 nan 8.270 nan 0.000 0.413 325 A N 5.154 128.003 122.820 0.048 0.000 1.903 325 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 325 A C -0.486 177.043 177.584 -0.091 0.000 1.191 325 A CA 1.346 53.385 52.037 0.004 0.000 0.638 325 A CB -1.367 17.703 19.000 0.116 0.000 0.823 325 A HN 0.753 nan 8.150 nan 0.000 0.451 326 P HA -0.117 nan 4.420 nan 0.000 0.216 326 P C 0.450 177.682 177.300 -0.113 0.000 1.150 326 P CA 1.506 64.551 63.100 -0.091 0.000 0.837 326 P CB -0.091 31.553 31.700 -0.094 0.000 0.786 327 D N -0.967 119.350 120.400 -0.137 0.000 2.117 327 D HA -0.074 4.566 4.640 -0.000 0.000 0.198 327 D C 1.952 178.138 176.300 -0.189 0.000 0.982 327 D CA 0.926 54.835 54.000 -0.152 0.000 0.828 327 D CB -0.704 39.998 40.800 -0.164 0.000 0.967 327 D HN 0.183 nan 8.370 nan 0.000 0.464 328 I N 0.894 121.299 120.570 -0.275 0.000 2.315 328 I HA -0.206 3.964 4.170 -0.000 0.000 0.248 328 I C 2.037 178.016 176.117 -0.230 0.000 1.117 328 I CA 1.066 62.147 61.300 -0.364 0.000 1.404 328 I CB -0.124 37.458 38.000 -0.697 0.000 1.071 328 I HN -0.039 nan 8.210 nan 0.000 0.419 329 E N 0.727 120.828 120.200 -0.166 0.000 2.204 329 E HA -0.133 4.217 4.350 -0.000 0.000 0.194 329 E C 2.000 178.560 176.600 -0.066 0.000 0.989 329 E CA 0.978 57.329 56.400 -0.080 0.000 0.824 329 E CB -0.084 29.591 29.700 -0.041 0.000 0.756 329 E HN 0.487 nan 8.360 nan 0.000 0.477 330 A N 0.057 122.830 122.820 -0.079 0.000 2.238 330 A HA 0.271 4.591 4.320 -0.000 0.000 0.208 330 A C 1.644 179.201 177.584 -0.046 0.000 1.177 330 A CA 0.718 52.718 52.037 -0.061 0.000 0.804 330 A CB -0.309 18.650 19.000 -0.069 0.000 0.823 330 A HN 0.312 nan 8.150 nan 0.000 0.482 331 G N -1.308 107.466 108.800 -0.043 0.000 2.143 331 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.249 331 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.249 331 G C 0.073 174.992 174.900 0.031 0.000 0.981 331 G CA 0.340 45.442 45.100 0.003 0.000 0.665 331 G HN 0.442 nan 8.290 nan 0.000 0.528 332 L N -0.105 121.091 121.223 -0.046 0.000 2.399 332 L HA 0.775 5.114 4.340 -0.000 0.000 0.266 332 L C 0.513 177.348 176.870 -0.058 0.000 1.114 332 L CA -1.346 53.436 54.840 -0.097 0.000 0.804 332 L CB 0.976 42.944 42.059 -0.151 0.000 1.146 332 L HN 0.370 nan 8.230 nan 0.000 0.451 333 Y N -1.120 119.125 120.300 -0.091 0.000 2.571 333 Y HA 0.603 5.152 4.550 -0.000 0.000 0.341 333 Y C -1.402 174.483 175.900 -0.025 0.000 1.076 333 Y CA -1.602 56.443 58.100 -0.092 0.000 1.029 333 Y CB 1.421 39.847 38.460 -0.056 0.000 1.308 333 Y HN 0.399 nan 8.280 nan 0.000 0.461 334 D N 2.078 122.566 120.400 0.146 0.000 2.462 334 D HA 0.172 4.812 4.640 -0.000 0.000 0.245 334 D C -0.429 176.078 176.300 0.345 0.000 1.122 334 D CA -0.617 53.510 54.000 0.212 0.000 0.864 334 D CB 0.636 41.599 40.800 0.271 0.000 1.098 334 D HN 0.755 nan 8.370 nan 0.000 0.541 335 N N 2.349 121.270 118.700 0.368 0.000 2.370 335 N HA -0.050 4.690 4.740 -0.000 0.000 0.198 335 N C 0.351 176.025 175.510 0.275 0.000 1.156 335 N CA 0.349 53.593 53.050 0.324 0.000 0.839 335 N CB 0.120 38.777 38.487 0.283 0.000 0.989 335 N HN 0.463 nan 8.380 nan 0.000 0.468 336 Q N -1.757 118.210 119.800 0.279 0.000 2.149 336 Q HA 0.127 4.467 4.340 -0.000 0.000 0.221 336 Q C 0.343 176.504 176.000 0.269 0.000 0.807 336 Q CA -0.527 55.411 55.803 0.225 0.000 1.000 336 Q CB 0.033 28.849 28.738 0.129 0.000 1.157 336 Q HN 0.396 nan 8.270 nan 0.000 0.487 337 W N 0.377 121.791 121.300 0.190 0.000 2.333 337 W HA -0.252 4.407 4.660 -0.000 0.000 0.316 337 W C 1.193 177.828 176.519 0.194 0.000 1.215 337 W CA 1.831 59.311 57.345 0.226 0.000 1.278 337 W CB -0.134 29.428 29.460 0.170 0.000 1.154 337 W HN 0.177 nan 8.180 nan 0.000 0.486 338 Y N -0.133 120.452 120.300 0.476 0.000 2.242 338 Y HA -0.159 4.391 4.550 -0.001 0.000 0.291 338 Y C 2.617 178.655 175.900 0.230 0.000 1.137 338 Y CA 2.041 60.297 58.100 0.261 0.000 1.181 338 Y CB -0.702 37.856 38.460 0.162 0.000 0.989 338 Y HN -0.140 nan 8.280 nan 0.000 0.527 339 R N 0.231 120.925 120.500 0.324 0.000 2.075 339 R HA -0.136 4.204 4.340 -0.000 0.000 0.232 339 R C 2.135 178.447 176.300 0.020 0.000 1.126 339 R CA 1.391 57.603 56.100 0.187 0.000 0.963 339 R CB -0.188 30.193 30.300 0.135 0.000 0.858 339 R HN 0.296 nan 8.270 nan 0.000 0.435 340 K N 0.400 120.705 120.400 -0.158 0.000 2.063 340 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 340 K C 2.033 178.357 176.600 -0.460 0.000 1.048 340 K CA 1.128 57.117 56.287 -0.496 0.000 0.928 340 K CB -0.243 31.610 32.500 -1.078 0.000 0.713 340 K HN 0.032 nan 8.250 nan 0.000 0.442 341 L N 1.294 122.356 121.223 -0.268 0.000 1.994 341 L HA -0.150 4.189 4.340 -0.000 0.000 0.208 341 L C 2.148 179.089 176.870 0.119 0.000 1.071 341 L CA 1.391 56.238 54.840 0.012 0.000 0.745 341 L CB -0.526 41.500 42.059 -0.056 0.000 0.892 341 L HN 0.078 nan 8.230 nan 0.000 0.431 342 I N -1.158 119.560 120.570 0.246 0.000 2.226 342 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 342 I C 2.735 178.896 176.117 0.073 0.000 1.100 342 I CA 1.777 63.209 61.300 0.219 0.000 1.374 342 I CB -0.551 37.576 38.000 0.211 0.000 1.057 342 I HN 0.498 nan 8.210 nan 0.000 0.413 343 S N 0.148 115.860 115.700 0.020 0.000 2.356 343 S HA -0.117 4.353 4.470 -0.000 0.000 0.223 343 S C 2.288 176.855 174.600 -0.055 0.000 1.032 343 S CA 1.483 59.660 58.200 -0.037 0.000 1.005 343 S CB -1.197 61.969 63.200 -0.057 0.000 0.867 343 S HN 0.573 nan 8.310 nan 0.000 0.449 344 G N 1.547 110.309 108.800 -0.063 0.000 2.421 344 G HA2 -0.068 3.891 3.960 -0.000 0.000 0.216 344 G HA3 -0.068 3.891 3.960 -0.000 0.000 0.216 344 G C 1.507 176.393 174.900 -0.024 0.000 1.171 344 G CA 0.941 46.011 45.100 -0.050 0.000 0.775 344 G HN 0.516 nan 8.290 nan 0.000 0.543 345 L N 0.886 122.117 121.223 0.013 0.000 2.017 345 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 345 L C 2.966 179.830 176.870 -0.010 0.000 1.073 345 L CA 1.930 56.789 54.840 0.031 0.000 0.745 345 L CB -0.327 41.792 42.059 0.100 0.000 0.894 345 L HN 0.386 nan 8.230 nan 0.000 0.432 346 K N 0.272 120.641 120.400 -0.052 0.000 2.366 346 K HA 0.009 4.329 4.320 -0.000 0.000 0.198 346 K C 1.911 178.361 176.600 -0.251 0.000 1.044 346 K CA 0.997 57.140 56.287 -0.240 0.000 0.973 346 K CB -0.125 32.122 32.500 -0.422 0.000 0.767 346 K HN 0.166 nan 8.250 nan 0.000 0.475 347 A N 1.566 124.295 122.820 -0.152 0.000 2.014 347 A HA -0.091 4.228 4.320 -0.000 0.000 0.218 347 A C 0.791 178.310 177.584 -0.109 0.000 1.163 347 A CA 0.841 52.800 52.037 -0.131 0.000 0.652 347 A CB -0.273 18.670 19.000 -0.095 0.000 0.808 347 A HN 0.475 nan 8.150 nan 0.000 0.449 348 D N -0.131 120.215 120.400 -0.091 0.000 2.277 348 D HA 0.180 4.820 4.640 -0.000 0.000 0.249 348 D C -1.768 174.486 176.300 -0.077 0.000 1.134 348 D CA -1.690 52.267 54.000 -0.072 0.000 0.863 348 D CB 1.524 42.291 40.800 -0.055 0.000 1.143 348 D HN 0.064 nan 8.370 nan 0.000 0.458 349 P HA -0.057 nan 4.420 nan 0.000 0.226 349 P C 0.389 177.654 177.300 -0.057 0.000 1.153 349 P CA 0.719 63.776 63.100 -0.072 0.000 0.777 349 P CB 0.755 32.415 31.700 -0.065 0.000 0.794 350 D N 0.071 120.439 120.400 -0.053 0.000 2.290 350 D HA 0.052 4.691 4.640 -0.000 0.000 0.224 350 D C 2.146 178.426 176.300 -0.033 0.000 0.967 350 D CA 0.979 54.950 54.000 -0.049 0.000 0.893 350 D CB -0.691 40.072 40.800 -0.061 0.000 1.037 350 D HN 0.022 nan 8.370 nan 0.000 0.477 351 A N 2.064 124.867 122.820 -0.029 0.000 1.972 351 A HA -0.216 4.103 4.320 -0.000 0.000 0.219 351 A C 2.110 179.715 177.584 0.036 0.000 1.169 351 A CA 1.651 53.687 52.037 -0.001 0.000 0.635 351 A CB -0.717 18.279 19.000 -0.005 0.000 0.810 351 A HN 0.312 nan 8.150 nan 0.000 0.446 352 R N 0.066 120.586 120.500 0.032 0.000 2.241 352 R HA -0.075 4.264 4.340 -0.000 0.000 0.224 352 R C 0.999 177.410 176.300 0.184 0.000 1.101 352 R CA 1.538 57.712 56.100 0.123 0.000 0.995 352 R CB -0.480 29.816 30.300 -0.006 0.000 0.870 352 R HN 0.573 nan 8.270 nan 0.000 0.463 353 E N 1.820 122.061 120.200 0.068 0.000 2.511 353 E HA 0.035 4.384 4.350 -0.000 0.000 0.196 353 E C 0.615 177.210 176.600 -0.008 0.000 1.066 353 E CA 0.034 56.448 56.400 0.024 0.000 0.871 353 E CB -0.096 29.593 29.700 -0.018 0.000 0.863 353 E HN 0.564 nan 8.360 nan 0.000 0.520 354 I N -2.179 118.394 120.570 0.006 0.000 2.754 354 I HA 0.114 4.284 4.170 -0.000 0.000 0.285 354 I C 1.242 177.325 176.117 -0.055 0.000 1.166 354 I CA -0.300 60.974 61.300 -0.043 0.000 1.417 354 I CB 1.085 39.063 38.000 -0.036 0.000 1.382 354 I HN -0.221 nan 8.210 nan 0.000 0.588 355 A N 5.727 128.481 122.820 -0.109 0.000 1.929 355 A HA 0.187 4.506 4.320 -0.000 0.000 0.216 355 A C 0.644 178.296 177.584 0.113 0.000 1.176 355 A CA 1.167 53.186 52.037 -0.030 0.000 0.628 355 A CB -0.432 18.566 19.000 -0.003 0.000 0.816 355 A HN 0.908 nan 8.150 nan 0.000 0.444 356 F N -2.849 117.107 119.950 0.010 0.000 2.713 356 F HA 0.639 5.166 4.527 -0.000 0.000 0.311 356 F C -1.413 174.405 175.800 0.029 0.000 1.141 356 F CA -2.225 55.789 58.000 0.023 0.000 0.939 356 F CB 0.868 39.875 39.000 0.012 0.000 1.325 356 F HN 0.136 nan 8.300 nan 0.000 0.453 357 L N 1.529 122.977 121.223 0.374 0.000 2.370 357 L HA 0.907 5.247 4.340 -0.000 0.000 0.266 357 L C -1.795 175.249 176.870 0.291 0.000 1.002 357 L CA -1.048 53.956 54.840 0.273 0.000 0.818 357 L CB 1.975 44.179 42.059 0.241 0.000 1.325 357 L HN 1.018 nan 8.230 nan 0.000 0.418 358 L N 3.661 125.010 121.223 0.210 0.000 2.386 358 L HA 0.901 5.241 4.340 -0.000 0.000 0.271 358 L C -0.670 176.264 176.870 0.107 0.000 0.993 358 L CA -0.834 54.043 54.840 0.062 0.000 0.819 358 L CB 2.074 44.188 42.059 0.092 0.000 1.294 358 L HN 0.825 nan 8.230 nan 0.000 0.414 359 V N 1.702 121.681 119.914 0.108 0.000 2.850 359 V HA 0.515 4.635 4.120 -0.000 0.000 0.315 359 V C -0.092 176.140 176.094 0.231 0.000 1.064 359 V CA -0.644 61.773 62.300 0.195 0.000 0.979 359 V CB 1.671 33.741 31.823 0.412 0.000 1.039 359 V HN 0.940 nan 8.190 nan 0.000 0.452 360 W N 3.154 124.266 121.300 -0.312 0.000 1.833 360 W HA 0.389 5.049 4.660 -0.001 0.000 0.390 360 W C 0.938 177.594 176.519 0.228 0.000 1.680 360 W CA -0.466 56.702 57.345 -0.295 0.000 1.828 360 W CB 1.021 29.943 29.460 -0.896 0.000 1.357 360 W HN 0.930 nan 8.180 nan 0.000 0.720 361 R N 1.982 122.380 120.500 -0.171 0.000 2.694 361 R HA 0.069 4.409 4.340 -0.000 0.000 0.268 361 R C -0.504 176.098 176.300 0.504 0.000 1.061 361 R CA 0.107 56.220 56.100 0.021 0.000 1.133 361 R CB 0.140 30.337 30.300 -0.172 0.000 1.020 361 R HN 0.397 nan 8.270 nan 0.000 0.475 362 N N 1.313 120.250 118.700 0.395 0.000 2.767 362 N HA 0.117 4.857 4.740 -0.000 0.000 0.238 362 N C -0.776 174.877 175.510 0.239 0.000 1.083 362 N CA -0.288 53.008 53.050 0.409 0.000 0.964 362 N CB 1.353 40.063 38.487 0.373 0.000 1.252 362 N HN 0.661 nan 8.380 nan 0.000 0.512 363 A N 3.271 126.260 122.820 0.280 0.000 2.545 363 A HA 0.106 4.425 4.320 -0.000 0.000 0.253 363 A C -0.925 176.702 177.584 0.073 0.000 1.074 363 A CA -0.872 51.259 52.037 0.157 0.000 0.760 363 A CB 0.249 19.369 19.000 0.200 0.000 1.005 363 A HN 0.455 nan 8.150 nan 0.000 0.506 364 P HA -0.121 nan 4.420 nan 0.000 0.220 364 P C 0.365 177.653 177.300 -0.020 0.000 1.148 364 P CA 1.300 64.397 63.100 -0.005 0.000 0.803 364 P CB 0.354 32.052 31.700 -0.003 0.000 0.782 365 Q N -0.593 119.199 119.800 -0.014 0.000 2.141 365 Q HA 0.308 4.648 4.340 -0.000 0.000 0.248 365 Q C 1.132 177.123 176.000 -0.014 0.000 0.834 365 Q CA 0.170 55.960 55.803 -0.022 0.000 1.096 365 Q CB 0.827 29.548 28.738 -0.028 0.000 1.189 365 Q HN 0.198 nan 8.270 nan 0.000 0.471 366 G N 1.239 110.050 108.800 0.019 0.000 2.564 366 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.273 366 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.273 366 G C -0.042 174.843 174.900 -0.026 0.000 1.242 366 G CA 0.179 45.309 45.100 0.050 0.000 0.951 366 G HN 0.618 nan 8.290 nan 0.000 0.564 367 V N -3.639 116.236 119.914 -0.064 0.000 3.040 367 V HA 0.809 4.929 4.120 -0.000 0.000 0.312 367 V C -2.646 173.372 176.094 -0.127 0.000 1.115 367 V CA -2.156 60.049 62.300 -0.159 0.000 0.998 367 V CB 1.999 33.640 31.823 -0.303 0.000 1.042 367 V HN 0.740 nan 8.190 nan 0.000 0.433 368 P HA 0.272 nan 4.420 nan 0.000 0.261 368 P C 0.255 177.488 177.300 -0.113 0.000 1.183 368 P CA 1.031 64.057 63.100 -0.124 0.000 0.761 368 P CB 0.327 31.939 31.700 -0.148 0.000 0.785 374 Q N 0.529 120.307 119.800 -0.037 0.000 2.365 374 Q HA 0.691 5.031 4.340 -0.000 0.000 0.269 374 Q C -0.456 175.527 176.000 -0.029 0.000 1.061 374 Q CA -0.772 55.007 55.803 -0.040 0.000 0.816 374 Q CB 2.370 31.086 28.738 -0.037 0.000 1.325 374 Q HN 1.017 nan 8.270 nan 0.000 0.446 375 V N -1.145 118.754 119.914 -0.026 0.000 2.960 375 V HA 0.734 4.854 4.120 -0.000 0.000 0.315 375 V C -2.692 173.417 176.094 0.025 0.000 1.087 375 V CA -2.872 59.422 62.300 -0.009 0.000 0.982 375 V CB 1.712 33.521 31.823 -0.023 0.000 1.039 375 V HN 0.508 nan 8.190 nan 0.000 0.437 376 P HA 0.360 nan 4.420 nan 0.000 0.271 376 P C -1.042 176.321 177.300 0.105 0.000 1.218 376 P CA 0.498 63.672 63.100 0.123 0.000 0.780 376 P CB 0.086 31.888 31.700 0.170 0.000 0.901 377 H N 1.952 121.053 119.070 0.051 0.000 2.809 377 H HA 0.418 4.973 4.556 -0.000 0.000 0.268 377 H C -1.535 173.809 175.328 0.026 0.000 1.403 377 H CA -0.477 55.516 56.048 -0.091 0.000 1.564 377 H CB -0.191 29.595 29.762 0.040 0.000 1.834 377 H HN 0.386 nan 8.280 nan 0.000 0.613 378 Y N 0.376 120.345 120.300 -0.552 0.000 2.624 378 Y HA 0.339 4.889 4.550 -0.000 0.000 0.334 378 Y C -1.026 174.587 175.900 -0.478 0.000 1.155 378 Y CA -1.288 56.690 58.100 -0.202 0.000 1.046 378 Y CB 0.710 39.145 38.460 -0.041 0.000 1.316 378 Y HN 0.315 nan 8.280 nan 0.000 0.457 379 W N 0.365 121.687 121.300 0.037 0.000 3.097 379 W HA 0.334 4.993 4.660 -0.000 0.000 0.245 379 W C -0.675 175.842 176.519 -0.004 0.000 1.120 379 W CA 0.012 57.308 57.345 -0.081 0.000 1.468 379 W CB 1.093 30.579 29.460 0.044 0.000 0.851 379 W HN 0.269 nan 8.180 nan 0.000 0.692 380 V N 3.483 123.491 119.914 0.157 0.000 2.455 380 V HA 0.131 4.251 4.120 -0.000 0.000 0.273 380 V C -2.004 174.009 176.094 -0.136 0.000 1.045 380 V CA -1.312 60.828 62.300 -0.266 0.000 0.976 380 V CB 0.670 32.162 31.823 -0.552 0.000 0.993 380 V HN -0.296 nan 8.190 nan 0.000 0.475 381 P HA 0.168 nan 4.420 nan 0.000 0.263 381 P C -0.355 176.876 177.300 -0.115 0.000 1.195 381 P CA 0.290 63.371 63.100 -0.031 0.000 0.762 381 P CB 0.546 32.237 31.700 -0.016 0.000 0.799 382 A N 3.566 126.340 122.820 -0.077 0.000 2.302 382 A HA 0.266 4.585 4.320 -0.000 0.000 0.285 382 A C 0.540 178.074 177.584 -0.083 0.000 1.105 382 A CA -0.442 51.526 52.037 -0.116 0.000 0.816 382 A CB 0.071 18.956 19.000 -0.190 0.000 1.067 382 A HN 0.468 nan 8.150 nan 0.000 0.489 383 N N 1.480 120.140 118.700 -0.067 0.000 2.549 383 N HA 0.161 4.900 4.740 -0.000 0.000 0.267 383 N C -0.290 175.186 175.510 -0.056 0.000 1.182 383 N CA 0.058 53.076 53.050 -0.052 0.000 1.019 383 N CB -0.575 37.886 38.487 -0.044 0.000 1.380 383 N HN 0.722 nan 8.380 nan 0.000 0.505 384 R N 1.407 121.870 120.500 -0.063 0.000 2.692 384 R HA 0.443 4.782 4.340 -0.000 0.000 0.269 384 R C -2.497 173.767 176.300 -0.061 0.000 1.030 384 R CA -1.211 54.851 56.100 -0.064 0.000 0.882 384 R CB 0.474 30.722 30.300 -0.087 0.000 1.250 384 R HN -0.114 nan 8.270 nan 0.000 0.465 385 P HA -0.259 nan 4.420 nan 0.000 0.216 385 P C 0.879 178.143 177.300 -0.060 0.000 1.153 385 P CA 1.602 64.672 63.100 -0.049 0.000 0.858 385 P CB 0.157 31.832 31.700 -0.042 0.000 0.789 386 E N -0.519 119.640 120.200 -0.068 0.000 2.085 386 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 386 E C 1.644 178.187 176.600 -0.096 0.000 0.994 386 E CA 1.221 57.575 56.400 -0.076 0.000 0.801 386 E CB -0.350 29.309 29.700 -0.068 0.000 0.743 386 E HN 0.227 nan 8.360 nan 0.000 0.453 387 N N 0.026 118.680 118.700 -0.078 0.000 2.416 387 N HA -0.018 4.722 4.740 -0.000 0.000 0.177 387 N C 1.924 177.395 175.510 -0.065 0.000 1.036 387 N CA 0.533 53.542 53.050 -0.067 0.000 0.901 387 N CB 0.165 38.638 38.487 -0.024 0.000 0.976 387 N HN 0.273 nan 8.380 nan 0.000 0.444 388 I N 1.734 122.269 120.570 -0.058 0.000 2.163 388 I HA -0.229 3.941 4.170 -0.000 0.000 0.240 388 I C 1.694 177.778 176.117 -0.055 0.000 1.081 388 I CA 0.984 62.258 61.300 -0.044 0.000 1.353 388 I CB -0.164 37.813 38.000 -0.038 0.000 1.054 388 I HN 0.032 nan 8.210 nan 0.000 0.407 389 N N 1.202 119.858 118.700 -0.072 0.000 2.188 389 N HA -0.177 4.563 4.740 -0.000 0.000 0.184 389 N C 1.260 176.699 175.510 -0.118 0.000 1.018 389 N CA 1.604 54.609 53.050 -0.075 0.000 0.858 389 N CB -0.817 37.631 38.487 -0.065 0.000 0.989 389 N HN 0.616 nan 8.380 nan 0.000 0.426 390 N N -0.763 117.803 118.700 -0.223 0.000 2.398 390 N HA 0.052 4.792 4.740 -0.000 0.000 0.188 390 N C 0.980 176.325 175.510 -0.275 0.000 1.122 390 N CA 0.604 53.388 53.050 -0.444 0.000 0.866 390 N CB 0.373 38.219 38.487 -1.068 0.000 0.970 390 N HN 0.106 nan 8.380 nan 0.000 0.462 391 G N 0.724 109.457 108.800 -0.111 0.000 2.199 391 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.254 391 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.254 391 G C 1.034 175.960 174.900 0.044 0.000 0.982 391 G CA 0.875 45.972 45.100 -0.005 0.000 0.632 391 G HN 0.555 nan 8.290 nan 0.000 0.529 392 T N -1.087 113.474 114.554 0.012 0.000 2.821 392 T HA 0.055 4.405 4.350 -0.000 0.000 0.267 392 T C 2.321 177.096 174.700 0.124 0.000 1.046 392 T CA 1.735 63.899 62.100 0.107 0.000 1.139 392 T CB -0.131 68.788 68.868 0.085 0.000 0.871 392 T HN 0.812 nan 8.240 nan 0.000 0.454 393 L N 1.754 123.014 121.223 0.062 0.000 2.012 393 L HA -0.027 4.312 4.340 -0.000 0.000 0.210 393 L C 2.628 179.555 176.870 0.094 0.000 1.073 393 L CA 2.156 57.036 54.840 0.067 0.000 0.748 393 L CB -0.935 41.133 42.059 0.015 0.000 0.891 393 L HN 0.424 nan 8.230 nan 0.000 0.431 394 E N -0.919 119.324 120.200 0.071 0.000 2.085 394 E HA -0.306 4.044 4.350 -0.000 0.000 0.194 394 E C 1.849 178.512 176.600 0.104 0.000 0.994 394 E CA 1.495 57.935 56.400 0.067 0.000 0.801 394 E CB -0.135 29.598 29.700 0.054 0.000 0.743 394 E HN 0.693 nan 8.360 nan 0.000 0.453 395 D N -0.438 120.055 120.400 0.155 0.000 2.092 395 D HA -0.213 4.427 4.640 -0.000 0.000 0.193 395 D C 1.772 178.210 176.300 0.231 0.000 0.994 395 D CA 1.255 55.390 54.000 0.225 0.000 0.828 395 D CB -0.361 40.627 40.800 0.313 0.000 0.963 395 D HN 0.222 nan 8.370 nan 0.000 0.450 396 F N 0.865 120.825 119.950 0.016 0.000 2.171 396 F HA -0.081 4.446 4.527 -0.000 0.000 0.300 396 F C 2.358 178.134 175.800 -0.040 0.000 1.090 396 F CA 1.374 59.257 58.000 -0.196 0.000 1.293 396 F CB -0.243 38.520 39.000 -0.395 0.000 1.013 396 F HN 0.037 nan 8.300 nan 0.000 0.486 397 Q N -0.424 119.379 119.800 0.006 0.000 2.167 397 Q HA -0.118 4.221 4.340 -0.000 0.000 0.202 397 Q C 2.435 178.415 176.000 -0.032 0.000 0.970 397 Q CA 1.208 56.975 55.803 -0.060 0.000 0.855 397 Q CB -0.362 28.364 28.738 -0.020 0.000 0.911 397 Q HN 0.509 nan 8.270 nan 0.000 0.438 398 A N 0.445 123.276 122.820 0.018 0.000 1.898 398 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 398 A C 1.832 179.435 177.584 0.031 0.000 1.181 398 A CA 0.959 53.015 52.037 0.032 0.000 0.620 398 A CB -0.789 18.254 19.000 0.072 0.000 0.819 398 A HN 0.475 nan 8.150 nan 0.000 0.442 399 F N -0.678 119.202 119.950 -0.118 0.000 2.091 399 F HA -0.270 4.257 4.527 -0.000 0.000 0.299 399 F C 2.148 177.829 175.800 -0.198 0.000 1.103 399 F CA 2.248 60.172 58.000 -0.127 0.000 1.228 399 F CB -0.485 38.415 39.000 -0.168 0.000 0.984 399 F HN 0.394 nan 8.300 nan 0.000 0.477 400 Y N 0.837 120.908 120.300 -0.382 0.000 2.181 400 Y HA -0.171 4.379 4.550 -0.000 0.000 0.288 400 Y C 2.297 177.950 175.900 -0.411 0.000 1.146 400 Y CA 1.657 59.380 58.100 -0.629 0.000 1.164 400 Y CB -0.933 36.998 38.460 -0.881 0.000 0.982 400 Y HN 0.088 nan 8.280 nan 0.000 0.515 401 A N -0.191 122.454 122.820 -0.291 0.000 2.015 401 A HA -0.130 4.189 4.320 -0.000 0.000 0.219 401 A C 1.060 178.490 177.584 -0.256 0.000 1.163 401 A CA 0.784 52.657 52.037 -0.272 0.000 0.646 401 A CB -0.834 18.107 19.000 -0.099 0.000 0.806 401 A HN 0.531 nan 8.150 nan 0.000 0.448 402 D N 0.377 120.640 120.400 -0.229 0.000 2.533 402 D HA -0.086 4.554 4.640 -0.000 0.000 0.236 402 D C 0.985 177.192 176.300 -0.156 0.000 1.137 402 D CA 0.196 54.098 54.000 -0.164 0.000 0.867 402 D CB 0.482 41.182 40.800 -0.167 0.000 1.170 402 D HN 0.402 nan 8.370 nan 0.000 0.474 403 E N 3.780 123.937 120.200 -0.072 0.000 2.209 403 E HA -0.220 4.130 4.350 -0.000 0.000 0.196 403 E C 1.259 177.887 176.600 0.047 0.000 0.993 403 E CA 0.784 57.167 56.400 -0.028 0.000 0.819 403 E CB -0.111 29.596 29.700 0.013 0.000 0.745 403 E HN 0.568 nan 8.360 nan 0.000 0.477 404 F N 1.309 121.186 119.950 -0.122 0.000 2.754 404 F HA 0.053 4.580 4.527 -0.000 0.000 0.297 404 F C 0.806 176.545 175.800 -0.102 0.000 1.122 404 F CA 0.668 58.614 58.000 -0.090 0.000 1.400 404 F CB 0.125 39.078 39.000 -0.079 0.000 1.117 404 F HN -0.172 nan 8.300 nan 0.000 0.587 405 T N -0.347 114.128 114.554 -0.131 0.000 2.909 405 T HA 0.707 5.056 4.350 -0.000 0.000 0.289 405 T C -0.220 174.458 174.700 -0.036 0.000 1.005 405 T CA -0.421 61.572 62.100 -0.178 0.000 1.084 405 T CB 1.761 70.399 68.868 -0.383 0.000 0.975 405 T HN 0.191 nan 8.240 nan 0.000 0.509 406 A N 2.502 125.351 122.820 0.048 0.000 2.335 406 A HA 0.740 5.059 4.320 -0.000 0.000 0.304 406 A C -0.951 176.764 177.584 0.219 0.000 1.118 406 A CA -0.836 51.281 52.037 0.133 0.000 0.757 406 A CB 0.530 19.564 19.000 0.058 0.000 1.188 406 A HN 0.697 nan 8.150 nan 0.000 0.460 407 F N 0.704 120.739 119.950 0.141 0.000 2.535 407 F HA 0.417 4.944 4.527 -0.001 0.000 0.367 407 F C 1.728 177.674 175.800 0.243 0.000 1.096 407 F CA -0.744 57.416 58.000 0.267 0.000 1.088 407 F CB 0.846 40.073 39.000 0.378 0.000 1.387 407 F HN 0.610 nan 8.300 nan 0.000 0.494 408 N N 0.490 119.474 118.700 0.473 0.000 2.104 408 N HA -0.146 4.594 4.740 -0.000 0.000 0.190 408 N C 1.614 177.300 175.510 0.293 0.000 1.024 408 N CA 1.454 54.726 53.050 0.370 0.000 0.853 408 N CB -0.030 38.741 38.487 0.474 0.000 1.008 408 N HN 0.422 nan 8.380 nan 0.000 0.424 409 R N 0.034 120.721 120.500 0.313 0.000 2.280 409 R HA -0.003 4.337 4.340 -0.000 0.000 0.207 409 R C 0.516 176.916 176.300 0.166 0.000 1.043 409 R CA 0.725 56.957 56.100 0.220 0.000 1.006 409 R CB 0.050 30.477 30.300 0.212 0.000 0.885 409 R HN 0.313 nan 8.270 nan 0.000 0.467 410 D N 0.993 121.504 120.400 0.185 0.000 2.355 410 D HA 0.007 4.647 4.640 -0.000 0.000 0.218 410 D C 0.825 177.208 176.300 0.138 0.000 1.004 410 D CA 0.545 54.627 54.000 0.135 0.000 0.880 410 D CB 0.236 41.114 40.800 0.131 0.000 0.911 410 D HN 0.332 nan 8.370 nan 0.000 0.528 411 I N -1.299 119.356 120.570 0.142 0.000 2.377 411 I HA 0.503 4.673 4.170 -0.000 0.000 0.293 411 I C -0.532 175.588 176.117 0.006 0.000 0.987 411 I CA -0.676 60.698 61.300 0.124 0.000 1.185 411 I CB 1.811 39.861 38.000 0.083 0.000 1.341 411 I HN -0.349 nan 8.210 nan 0.000 0.455 412 E N 4.047 124.254 120.200 0.013 0.000 2.367 412 E HA 0.354 4.704 4.350 -0.000 0.000 0.273 412 E C -1.192 175.372 176.600 -0.060 0.000 0.903 412 E CA -0.861 55.523 56.400 -0.027 0.000 0.764 412 E CB 1.979 31.701 29.700 0.037 0.000 1.252 412 E HN 0.676 nan 8.360 nan 0.000 0.446 413 Q N -0.133 119.622 119.800 -0.076 0.000 2.487 413 Q HA -0.202 4.137 4.340 -0.000 0.000 0.279 413 Q C 0.684 176.605 176.000 -0.132 0.000 1.228 413 Q CA 0.158 55.937 55.803 -0.041 0.000 0.873 413 Q CB -1.625 27.138 28.738 0.041 0.000 1.260 413 Q HN 0.408 nan 8.270 nan 0.000 0.471 414 V N -1.394 118.262 119.914 -0.430 0.000 2.548 414 V HA -0.202 3.918 4.120 -0.000 0.000 0.249 414 V C 1.191 176.950 176.094 -0.558 0.000 1.055 414 V CA 2.189 63.973 62.300 -0.859 0.000 1.065 414 V CB -0.271 30.693 31.823 -1.431 0.000 0.681 414 V HN 0.484 nan 8.190 nan 0.000 0.462 415 Y N -1.559 118.710 120.300 -0.051 0.000 2.481 415 Y HA 0.281 4.831 4.550 -0.000 0.000 0.247 415 Y C 1.968 177.898 175.900 0.050 0.000 1.151 415 Y CA -0.073 58.048 58.100 0.036 0.000 1.238 415 Y CB 0.592 39.076 38.460 0.041 0.000 1.179 415 Y HN 0.166 nan 8.280 nan 0.000 0.524 416 Q N 0.641 120.527 119.800 0.143 0.000 2.172 416 Q HA 0.192 4.532 4.340 -0.000 0.000 0.217 416 Q C -0.208 175.846 176.000 0.091 0.000 0.832 416 Q CA -0.134 55.733 55.803 0.107 0.000 1.010 416 Q CB 0.582 29.364 28.738 0.074 0.000 1.133 416 Q HN 0.357 nan 8.270 nan 0.000 0.489 417 R N 2.561 123.123 120.500 0.104 0.000 2.389 417 R HA 0.201 4.541 4.340 -0.000 0.000 0.295 417 R C -2.244 174.113 176.300 0.096 0.000 1.075 417 R CA -1.420 54.740 56.100 0.100 0.000 1.005 417 R CB 0.111 30.485 30.300 0.124 0.000 0.987 417 R HN 0.006 nan 8.270 nan 0.000 0.452 418 P HA 0.022 nan 4.420 nan 0.000 0.276 418 P C -0.649 176.695 177.300 0.074 0.000 1.230 418 P CA -0.112 63.029 63.100 0.069 0.000 0.776 418 P CB 1.297 33.029 31.700 0.053 0.000 0.888 419 T N 0.513 115.110 114.554 0.072 0.000 2.896 419 T HA 0.721 5.070 4.350 -0.000 0.000 0.297 419 T C -0.513 174.219 174.700 0.053 0.000 1.108 419 T CA -0.881 61.262 62.100 0.072 0.000 1.004 419 T CB 1.169 70.092 68.868 0.091 0.000 1.159 419 T HN 0.205 nan 8.240 nan 0.000 0.499 420 L N 1.669 122.920 121.223 0.047 0.000 2.341 420 L HA 0.786 5.126 4.340 -0.000 0.000 0.267 420 L C -0.289 176.595 176.870 0.024 0.000 1.009 420 L CA -1.408 53.451 54.840 0.032 0.000 0.819 420 L CB 1.969 44.046 42.059 0.030 0.000 1.323 420 L HN 0.859 nan 8.230 nan 0.000 0.425 421 I N 0.000 120.577 120.570 0.012 0.000 2.984 421 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 421 I CA 0.000 61.299 61.300 -0.002 0.000 1.566 421 I CB 0.000 37.993 38.000 -0.012 0.000 1.214 421 I HN 0.000 nan 8.210 nan 0.000 0.494