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 1mhz_1_B DATA FIRST_RESID 11 DATA SEQUENCE KRGLTDPERA AIIAAAVPDH ALDTQRKYHY FIQPRWKPLS EYEQLSCYAQ DATA SEQUENCE PNPDWIAGGL DWGDWTQKFH GGRPSWGNES TELRTTDWYR HRDPARRWHH DATA SEQUENCE PYVKDKSEEA RYTQRFLAAY SSEGSIRTID PYWRDEILNK YFGALLYSEY DATA SEQUENCE GLFNAHSSVG RDCLSDTIRQ TAVFAALDKV DNAQMIQMER LFIAKLVPGF DATA SEQUENCE DASTDVPKKI WTTDPIYSGA RATVQEIWQG VQDWNEILWA GHAVYDATFG DATA SEQUENCE QFARREFFQR LATVYGDTLT PFFTAQSQTY FQTTRGAIDD LFVYCLANDS DATA SEQUENCE EFGAHNRTFL NAWTEHYLAS SVAALKDFVG LYAKVEKVAG ATDSAGVSEA DATA SEQUENCE LQRVFGDWKI DYADKIGFRV DVDQKVDAVL AGY 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 11 K HA 0.000 nan 4.320 nan 0.000 0.191 11 K C 0.000 176.601 176.600 0.002 0.000 0.988 11 K CA 0.000 56.288 56.287 0.002 0.000 0.838 11 K CB 0.000 32.501 32.500 0.002 0.000 1.064 12 R N 2.216 122.717 120.500 0.002 0.000 2.457 12 R HA 0.253 nan 4.340 nan 0.000 0.284 12 R C 0.890 177.191 176.300 0.002 0.000 1.024 12 R CA -0.480 55.621 56.100 0.002 0.000 1.025 12 R CB 1.742 32.043 30.300 0.002 0.000 1.063 12 R HN 0.221 8.492 8.270 0.002 0.000 0.493 13 G N 2.069 110.871 108.800 0.002 0.000 2.484 13 G HA2 -0.162 nan 3.960 nan 0.000 0.218 13 G HA3 -0.162 nan 3.960 nan 0.000 0.218 13 G C 0.199 175.100 174.900 0.002 0.000 1.130 13 G CA 1.280 46.381 45.100 0.002 0.000 0.784 13 G HN 0.529 8.820 8.290 0.002 0.000 0.543 14 L N -1.338 119.886 121.223 0.002 0.000 2.072 14 L HA 0.035 nan 4.340 nan 0.000 0.205 14 L C 1.024 177.895 176.870 0.002 0.000 1.079 14 L CA 2.197 57.038 54.840 0.002 0.000 0.752 14 L CB 0.235 42.295 42.059 0.001 0.000 0.906 14 L HN -0.457 7.747 8.230 0.002 0.027 0.436 15 T N -8.522 106.033 114.554 0.002 0.000 3.085 15 T HA 0.047 nan 4.350 nan 0.000 0.264 15 T C -0.424 174.277 174.700 0.002 0.000 1.019 15 T CA -0.483 61.618 62.100 0.002 0.000 0.910 15 T CB -0.281 68.588 68.868 0.002 0.000 1.059 15 T HN -0.361 7.880 8.240 0.002 0.000 0.542 16 D N 3.095 123.497 120.400 0.002 0.000 2.317 16 D HA 0.429 nan 4.640 nan 0.000 0.234 16 D C -1.244 175.057 176.300 0.002 0.000 1.112 16 D CA -2.863 51.138 54.000 0.002 0.000 0.840 16 D CB 1.883 42.685 40.800 0.002 0.000 1.078 16 D HN -0.658 7.713 8.370 0.002 0.000 0.486 17 P HA -0.328 nan 4.420 nan 0.000 0.218 17 P C 0.794 178.095 177.300 0.003 0.000 1.165 17 P CA 2.972 66.074 63.100 0.003 0.000 0.922 17 P CB -0.005 31.696 31.700 0.002 0.000 0.794 18 E N -3.786 116.415 120.200 0.003 0.000 2.150 18 E HA -0.260 nan 4.350 nan 0.000 0.193 18 E C 2.461 179.063 176.600 0.003 0.000 0.985 18 E CA 2.773 59.174 56.400 0.003 0.000 0.814 18 E CB -0.852 28.850 29.700 0.003 0.000 0.752 18 E HN 0.502 8.864 8.360 0.003 0.000 0.466 19 R N -0.489 120.013 120.500 0.003 0.000 2.075 19 R HA -0.158 nan 4.340 nan 0.000 0.226 19 R C 2.258 178.560 176.300 0.003 0.000 1.114 19 R CA 2.673 58.775 56.100 0.003 0.000 0.972 19 R CB 0.082 30.384 30.300 0.003 0.000 0.869 19 R HN -0.477 8.026 8.270 0.003 -0.231 0.437 20 A N -0.676 122.146 122.820 0.003 0.000 1.940 20 A HA -0.228 nan 4.320 nan 0.000 0.219 20 A C 1.917 179.502 177.584 0.003 0.000 1.176 20 A CA 3.039 55.078 52.037 0.003 0.000 0.631 20 A CB -0.944 18.058 19.000 0.003 0.000 0.814 20 A HN 0.543 8.695 8.150 0.003 0.000 0.446 21 A N -1.473 121.349 122.820 0.003 0.000 1.877 21 A HA -0.307 nan 4.320 nan 0.000 0.216 21 A C 1.948 179.535 177.584 0.004 0.000 1.186 21 A CA 3.000 55.039 52.037 0.004 0.000 0.620 21 A CB -0.796 18.206 19.000 0.004 0.000 0.822 21 A HN -0.169 7.978 8.150 0.003 0.005 0.443 22 I N -1.177 119.395 120.570 0.004 0.000 2.226 22 I HA -0.553 nan 4.170 nan 0.000 0.245 22 I C 2.021 178.140 176.117 0.003 0.000 1.100 22 I CA 4.028 65.331 61.300 0.004 0.000 1.374 22 I CB 0.096 38.098 38.000 0.003 0.000 1.057 22 I HN -0.701 7.438 8.210 0.003 0.073 0.413 23 I N -0.895 119.677 120.570 0.003 0.000 2.315 23 I HA -0.549 nan 4.170 nan 0.000 0.248 23 I C 1.351 177.469 176.117 0.002 0.000 1.117 23 I CA 3.863 65.164 61.300 0.002 0.000 1.404 23 I CB -0.416 37.585 38.000 0.001 0.000 1.071 23 I HN 0.242 8.453 8.210 0.003 0.000 0.419 24 A N -0.177 122.644 122.820 0.003 0.000 1.908 24 A HA -0.317 nan 4.320 nan 0.000 0.218 24 A C 1.524 179.111 177.584 0.005 0.000 1.181 24 A CA 3.013 55.052 52.037 0.004 0.000 0.627 24 A CB -0.944 18.058 19.000 0.005 0.000 0.818 24 A HN 0.078 8.033 8.150 0.003 0.196 0.445 25 A N -2.365 120.459 122.820 0.006 0.000 1.930 25 A HA -0.171 nan 4.320 nan 0.000 0.217 25 A C 1.670 179.259 177.584 0.008 0.000 1.175 25 A CA 2.021 54.062 52.037 0.007 0.000 0.627 25 A CB 0.086 19.091 19.000 0.007 0.000 0.815 25 A HN -0.279 7.874 8.150 0.005 0.000 0.443 26 A N -1.687 121.136 122.820 0.005 0.000 1.969 26 A HA -0.116 nan 4.320 nan 0.000 0.218 26 A C 0.425 178.009 177.584 -0.000 0.000 1.169 26 A CA 1.264 53.303 52.037 0.004 0.000 0.635 26 A CB 0.506 19.508 19.000 0.002 0.000 0.810 26 A HN -0.531 7.533 8.150 0.004 0.088 0.445 27 V N 1.061 120.974 119.914 -0.002 0.000 2.655 27 V HA -0.012 nan 4.120 nan 0.000 0.300 27 V C -1.861 174.228 176.094 -0.008 0.000 1.044 27 V CA -1.062 61.232 62.300 -0.011 0.000 1.095 27 V CB -0.367 31.450 31.823 -0.010 0.000 0.952 27 V HN -0.424 7.766 8.190 -0.000 0.000 0.485 28 P HA 0.205 nan 4.420 nan 0.000 0.274 28 P C -1.093 176.206 177.300 -0.003 0.000 1.231 28 P CA -0.500 62.585 63.100 -0.025 0.000 0.790 28 P CB 0.906 32.521 31.700 -0.141 0.000 0.951 29 D N -0.822 119.636 120.400 0.098 0.000 2.312 29 D HA -0.148 nan 4.640 nan 0.000 0.211 29 D C -0.095 176.292 176.300 0.145 0.000 0.964 29 D CA 1.697 55.765 54.000 0.113 0.000 0.877 29 D CB -0.207 40.664 40.800 0.119 0.000 0.924 29 D HN 0.529 8.988 8.370 0.149 0.000 0.515 30 H N -1.866 117.204 119.070 0.001 0.000 2.834 30 H HA 0.172 nan 4.556 nan 0.000 0.369 30 H C -1.744 173.585 175.328 0.000 0.000 1.174 30 H CA -1.949 54.099 56.048 -0.000 0.000 1.165 30 H CB 1.374 31.135 29.762 -0.001 0.000 1.820 30 H HN -0.563 7.710 8.280 0.072 0.050 0.558 31 A N 0.027 122.797 122.820 -0.083 0.000 2.407 31 A HA 0.145 nan 4.320 nan 0.000 0.248 31 A C -0.075 177.414 177.584 -0.159 0.000 1.082 31 A CA -0.325 51.641 52.037 -0.120 0.000 0.785 31 A CB 0.961 19.945 19.000 -0.028 0.000 1.020 31 A HN 0.439 8.622 8.150 0.055 0.000 0.489 32 L N -0.300 120.835 121.223 -0.147 0.000 2.653 32 L HA 0.160 nan 4.340 nan 0.000 0.231 32 L C -0.471 176.385 176.870 -0.023 0.000 1.153 32 L CA 0.280 55.067 54.840 -0.089 0.000 0.933 32 L CB 0.358 42.357 42.059 -0.100 0.000 1.175 32 L HN 0.145 8.298 8.230 -0.128 0.000 0.473 33 D N -2.921 117.468 120.400 -0.019 0.000 2.842 33 D HA -0.048 nan 4.640 nan 0.000 0.248 33 D C -0.754 175.531 176.300 -0.024 0.000 1.140 33 D CA 0.194 54.181 54.000 -0.020 0.000 0.728 33 D CB 1.812 42.594 40.800 -0.031 0.000 1.595 33 D HN -0.581 7.693 8.370 -0.026 0.080 0.450 34 T N -2.533 112.000 114.554 -0.035 0.000 3.040 34 T HA 0.130 nan 4.350 nan 0.000 0.250 34 T C -0.166 174.499 174.700 -0.059 0.000 1.058 34 T CA 0.018 62.098 62.100 -0.034 0.000 0.988 34 T CB 0.347 69.199 68.868 -0.027 0.000 0.993 34 T HN -0.168 8.046 8.240 -0.044 0.000 0.519 35 Q N 1.764 121.501 119.800 -0.104 0.000 2.307 35 Q HA -0.060 nan 4.340 nan 0.000 0.261 35 Q C 0.088 176.040 176.000 -0.079 0.000 1.051 35 Q CA 0.063 55.764 55.803 -0.170 0.000 0.911 35 Q CB -0.417 28.085 28.738 -0.392 0.000 1.227 35 Q HN -0.530 7.849 8.270 -0.106 -0.172 0.418 36 R N 5.088 125.574 120.500 -0.023 0.000 2.437 36 R HA 0.134 nan 4.340 nan 0.000 0.257 36 R C -0.465 175.892 176.300 0.095 0.000 0.927 36 R CA -0.548 55.575 56.100 0.038 0.000 1.078 36 R CB 0.877 31.195 30.300 0.029 0.000 1.161 36 R HN 0.373 8.623 8.270 -0.033 0.000 0.529 37 K N 2.291 122.757 120.400 0.111 0.000 2.312 37 K HA -0.078 nan 4.320 nan 0.000 0.287 37 K C -1.041 175.727 176.600 0.280 0.000 1.062 37 K CA -0.555 55.840 56.287 0.180 0.000 0.934 37 K CB 0.782 33.383 32.500 0.169 0.000 1.027 37 K HN -0.257 8.380 8.250 0.054 -0.355 0.478 38 Y N 6.608 126.973 120.300 0.107 0.000 2.537 38 Y HA -0.209 nan 4.550 nan 0.000 0.339 38 Y C -0.923 175.023 175.900 0.077 0.000 1.066 38 Y CA 0.882 59.045 58.100 0.105 0.000 1.357 38 Y CB 0.101 38.620 38.460 0.098 0.000 1.175 38 Y HN 0.365 8.834 8.280 0.315 0.000 0.525 39 H N 4.003 122.779 119.070 -0.490 0.000 2.756 39 H HA -0.459 nan 4.556 nan 0.000 0.315 39 H C 0.152 174.977 175.328 -0.839 0.000 1.210 39 H CA 0.888 56.404 56.048 -0.888 0.000 1.150 39 H CB -2.917 26.218 29.762 -1.045 0.000 1.463 39 H HN 0.694 8.620 8.280 -0.589 0.000 0.427 40 Y N -2.423 117.735 120.300 -0.237 0.000 2.365 40 Y HA -0.453 nan 4.550 nan 0.000 0.287 40 Y C -0.583 175.263 175.900 -0.091 0.000 1.162 40 Y CA 2.171 60.209 58.100 -0.102 0.000 1.260 40 Y CB -1.336 37.121 38.460 -0.006 0.000 0.976 40 Y HN -0.763 7.429 8.280 -0.148 0.000 0.548 41 F N -4.893 114.717 119.950 -0.566 0.000 2.802 41 F HA -0.046 nan 4.527 nan 0.000 0.300 41 F C -0.110 175.626 175.800 -0.106 0.000 1.168 41 F CA -1.517 56.319 58.000 -0.272 0.000 1.433 41 F CB -0.260 38.498 39.000 -0.403 0.000 1.115 41 F HN -0.774 6.622 8.300 -1.416 0.055 0.582 42 I N 1.252 121.512 120.570 -0.516 0.000 2.588 42 I HA -0.240 nan 4.170 nan 0.000 0.283 42 I C 0.217 176.279 176.117 -0.091 0.000 1.119 42 I CA 0.624 61.776 61.300 -0.246 0.000 1.419 42 I CB 0.615 38.428 38.000 -0.312 0.000 1.394 42 I HN -0.212 7.444 8.210 -0.644 0.168 0.562 43 Q N 9.865 129.648 119.800 -0.028 0.000 2.307 43 Q HA 0.268 nan 4.340 nan 0.000 0.261 43 Q C -2.197 173.752 176.000 -0.085 0.000 1.051 43 Q CA -2.476 53.313 55.803 -0.023 0.000 0.911 43 Q CB 0.169 28.912 28.738 0.009 0.000 1.227 43 Q HN 0.219 8.497 8.270 0.014 0.000 0.418 44 P HA 0.033 nan 4.420 nan 0.000 0.271 44 P C -1.629 175.546 177.300 -0.209 0.000 1.218 44 P CA 0.170 63.204 63.100 -0.110 0.000 0.780 44 P CB 0.877 32.569 31.700 -0.015 0.000 0.901 45 R N 3.522 123.744 120.500 -0.464 0.000 2.087 45 R HA -0.006 nan 4.340 nan 0.000 0.216 45 R C 0.202 176.149 176.300 -0.588 0.000 1.114 45 R CA 0.831 56.514 56.100 -0.696 0.000 1.002 45 R CB 0.761 30.254 30.300 -1.344 0.000 0.903 45 R HN 0.092 8.210 8.270 -0.530 -0.166 0.445 46 W N -1.875 119.429 121.300 0.007 0.000 1.746 46 W HA 0.136 nan 4.660 nan 0.000 0.569 46 W C 1.067 177.598 176.519 0.021 0.000 2.047 46 W CA -0.858 56.494 57.345 0.012 0.000 2.328 46 W CB -0.302 29.165 29.460 0.013 0.000 2.372 46 W HN -0.453 7.352 8.180 -0.626 0.000 0.797 47 K N -0.573 119.996 120.400 0.281 0.000 2.031 47 K HA -0.069 nan 4.320 nan 0.000 0.205 47 K C -1.220 175.457 176.600 0.129 0.000 1.049 47 K CA 2.456 58.836 56.287 0.156 0.000 0.939 47 K CB -1.456 31.120 32.500 0.127 0.000 0.717 47 K HN 0.101 8.564 8.250 0.354 0.000 0.438 48 P HA 0.186 nan 4.420 nan 0.000 0.312 48 P C -2.009 175.385 177.300 0.156 0.000 1.326 48 P CA -1.270 61.904 63.100 0.124 0.000 1.203 48 P CB 1.890 33.652 31.700 0.104 0.000 1.832 49 L N 0.676 121.968 121.223 0.115 0.000 2.540 49 L HA -0.143 nan 4.340 nan 0.000 0.276 49 L C 0.385 177.349 176.870 0.158 0.000 1.212 49 L CA 0.744 55.652 54.840 0.113 0.000 0.893 49 L CB 0.472 42.569 42.059 0.063 0.000 1.138 49 L HN 0.203 8.489 8.230 0.093 0.000 0.491 50 S N 5.651 121.485 115.700 0.223 0.000 2.713 50 S HA 0.213 nan 4.470 nan 0.000 0.283 50 S C 0.155 174.847 174.600 0.154 0.000 1.161 50 S CA -1.092 57.251 58.200 0.238 0.000 0.999 50 S CB 2.031 65.472 63.200 0.401 0.000 1.039 50 S HN 0.306 9.080 8.310 0.244 -0.317 0.548 51 E N 1.751 122.032 120.200 0.135 0.000 2.112 51 E HA -0.197 nan 4.350 nan 0.000 0.190 51 E C 1.666 178.221 176.600 -0.075 0.000 0.979 51 E CA 2.718 59.130 56.400 0.019 0.000 0.814 51 E CB -0.151 29.569 29.700 0.033 0.000 0.762 51 E HN 0.630 9.087 8.360 0.163 0.000 0.460 52 Y N -1.057 119.233 120.300 -0.016 0.000 2.165 52 Y HA -0.405 nan 4.550 nan 0.000 0.286 52 Y C 1.188 177.087 175.900 -0.002 0.000 1.155 52 Y CA 2.808 60.926 58.100 0.029 0.000 1.164 52 Y CB -0.294 38.309 38.460 0.237 0.000 0.978 52 Y HN -0.080 8.398 8.280 0.331 0.000 0.513 53 E N -2.050 118.070 120.200 -0.133 0.000 2.016 53 E HA -0.408 nan 4.350 nan 0.000 0.190 53 E C 2.361 178.799 176.600 -0.271 0.000 0.985 53 E CA 2.704 58.921 56.400 -0.305 0.000 0.802 53 E CB -0.169 29.470 29.700 -0.102 0.000 0.762 53 E HN -0.540 7.816 8.360 0.164 0.102 0.448 54 Q N -0.477 119.244 119.800 -0.132 0.000 2.197 54 Q HA -0.306 nan 4.340 nan 0.000 0.207 54 Q C 2.437 178.428 176.000 -0.015 0.000 0.984 54 Q CA 3.031 58.804 55.803 -0.050 0.000 0.869 54 Q CB 0.000 28.806 28.738 0.113 0.000 0.906 54 Q HN -0.220 8.016 8.270 -0.057 0.000 0.426 55 L N -3.617 117.506 121.223 -0.167 0.000 2.567 55 L HA -0.035 nan 4.340 nan 0.000 0.225 55 L C 0.793 177.538 176.870 -0.207 0.000 1.119 55 L CA 1.202 55.924 54.840 -0.196 0.000 0.871 55 L CB 0.397 42.160 42.059 -0.493 0.000 1.036 55 L HN 0.040 8.101 8.230 -0.252 0.018 0.459 56 S N -0.474 115.055 115.700 -0.285 0.000 2.691 56 S HA 0.117 nan 4.470 nan 0.000 0.241 56 S C -0.045 174.374 174.600 -0.302 0.000 1.077 56 S CA 1.050 59.082 58.200 -0.279 0.000 0.900 56 S CB 2.291 65.248 63.200 -0.405 0.000 0.805 56 S HN -0.300 7.635 8.310 -0.336 0.173 0.529 57 C N 3.070 122.128 119.300 -0.403 0.000 2.592 57 C HA -0.204 nan 4.460 nan 0.000 0.408 57 C C -0.393 174.285 174.990 -0.520 0.000 1.436 57 C CA 2.817 61.516 59.018 -0.532 0.000 1.595 57 C CB -2.152 25.206 27.740 -0.637 0.000 2.487 57 C HN 0.111 8.086 8.230 -0.425 0.000 0.610 58 Y N 0.295 120.401 120.300 -0.323 0.000 4.912 58 Y HA -0.465 nan 4.550 nan 0.000 0.252 58 Y C -0.127 175.672 175.900 -0.169 0.000 0.965 58 Y CA 0.393 58.283 58.100 -0.349 0.000 1.978 58 Y CB -2.869 35.389 38.460 -0.336 0.000 1.477 58 Y HN 0.213 8.438 8.280 -0.561 -0.281 0.606 59 A N -0.641 122.153 122.820 -0.043 0.000 1.969 59 A HA -0.226 nan 4.320 nan 0.000 0.218 59 A C -0.029 177.581 177.584 0.043 0.000 1.169 59 A CA 1.629 53.654 52.037 -0.019 0.000 0.635 59 A CB 0.291 19.261 19.000 -0.050 0.000 0.810 59 A HN -0.407 7.702 8.150 -0.111 -0.026 0.445 60 Q N -0.031 119.802 119.800 0.055 0.000 2.293 60 Q HA 0.122 nan 4.340 nan 0.000 0.263 60 Q C -1.119 174.984 176.000 0.172 0.000 1.002 60 Q CA -2.979 52.836 55.803 0.020 0.000 0.910 60 Q CB 0.542 29.146 28.738 -0.223 0.000 1.185 60 Q HN -0.505 8.068 8.270 0.070 -0.261 0.401 61 P HA 0.024 nan 4.420 nan 0.000 0.261 61 P C -1.365 176.119 177.300 0.307 0.000 1.650 61 P CA -0.517 62.749 63.100 0.277 0.000 0.846 61 P CB -1.117 30.763 31.700 0.300 0.000 1.758 62 N N 2.506 121.373 118.700 0.277 0.000 2.407 62 N HA 0.091 nan 4.740 nan 0.000 0.250 62 N C -1.843 173.596 175.510 -0.117 0.000 1.236 62 N CA -1.050 52.074 53.050 0.122 0.000 0.879 62 N CB -0.519 38.054 38.487 0.143 0.000 1.088 62 N HN -0.190 8.273 8.380 0.293 0.092 0.450 63 P HA 0.355 nan 4.420 nan 0.000 0.283 63 P C 0.247 177.350 177.300 -0.328 0.000 1.278 63 P CA -1.223 61.595 63.100 -0.470 0.000 0.834 63 P CB 1.795 32.972 31.700 -0.872 0.000 1.150 64 D N 0.652 121.003 120.400 -0.082 0.000 2.265 64 D HA -0.319 nan 4.640 nan 0.000 0.208 64 D C 0.573 176.949 176.300 0.126 0.000 0.977 64 D CA 2.836 56.869 54.000 0.055 0.000 0.871 64 D CB -0.644 40.232 40.800 0.127 0.000 0.925 64 D HN 0.510 8.795 8.370 -0.002 0.084 0.485 65 W N -4.316 117.014 121.300 0.050 0.000 3.077 65 W HA 0.049 nan 4.660 nan 0.000 0.245 65 W C -0.710 175.869 176.519 0.099 0.000 1.316 65 W CA -1.686 55.694 57.345 0.058 0.000 1.537 65 W CB -0.534 28.943 29.460 0.028 0.000 1.131 65 W HN -0.510 7.559 8.180 -0.119 0.040 0.695 66 I N 2.398 122.951 120.570 -0.027 0.000 2.390 66 I HA 0.118 nan 4.170 nan 0.000 0.283 66 I C -1.054 175.164 176.117 0.168 0.000 1.016 66 I CA -1.128 60.211 61.300 0.065 0.000 1.151 66 I CB 0.516 38.458 38.000 -0.098 0.000 1.293 66 I HN -0.267 7.644 8.210 -0.202 0.177 0.458 67 A N 8.117 131.079 122.820 0.237 0.000 2.573 67 A HA -0.303 nan 4.320 nan 0.000 0.266 67 A C 0.639 178.362 177.584 0.232 0.000 1.007 67 A CA 2.196 54.346 52.037 0.187 0.000 0.878 67 A CB -0.463 18.577 19.000 0.067 0.000 0.886 67 A HN 0.962 9.265 8.150 0.256 0.000 0.507 68 G N 2.424 111.375 108.800 0.252 0.000 2.376 68 G HA2 -0.352 nan 3.960 nan 0.000 0.208 68 G HA3 -0.352 nan 3.960 nan 0.000 0.208 68 G C 0.359 175.564 174.900 0.509 0.000 1.032 68 G CA -0.601 44.751 45.100 0.420 0.000 0.641 68 G HN 0.222 8.631 8.290 0.198 0.000 0.503 69 G N 1.073 110.156 108.800 0.471 0.000 2.559 69 G HA2 -0.152 nan 3.960 nan 0.000 0.235 69 G HA3 -0.152 nan 3.960 nan 0.000 0.235 69 G C -0.703 174.255 174.900 0.097 0.000 1.266 69 G CA 0.133 45.438 45.100 0.341 0.000 0.847 69 G HN -0.471 7.965 8.290 0.356 0.067 0.583 70 L N 0.638 121.850 121.223 -0.018 0.000 2.693 70 L HA 0.311 nan 4.340 nan 0.000 0.235 70 L C 0.414 177.260 176.870 -0.039 0.000 1.127 70 L CA -0.236 54.545 54.840 -0.098 0.000 0.914 70 L CB 0.421 42.309 42.059 -0.286 0.000 1.193 70 L HN 0.114 8.341 8.230 -0.004 0.000 0.502 71 D N 0.273 120.649 120.400 -0.040 0.000 2.478 71 D HA 0.128 nan 4.640 nan 0.000 0.269 71 D C -1.712 174.611 176.300 0.038 0.000 1.232 71 D CA -0.634 53.328 54.000 -0.063 0.000 1.059 71 D CB 2.443 43.140 40.800 -0.171 0.000 1.104 71 D HN -0.197 8.146 8.370 -0.045 0.000 0.566 72 W N -4.112 117.152 121.300 -0.060 0.000 3.118 72 W HA 0.272 nan 4.660 nan 0.000 0.328 72 W C -1.250 175.281 176.519 0.021 0.000 1.239 72 W CA -1.123 56.218 57.345 -0.006 0.000 1.176 72 W CB 2.853 32.318 29.460 0.007 0.000 1.433 72 W HN 0.003 7.852 8.180 -0.551 0.000 0.562 73 G N 0.423 109.498 108.800 0.458 0.000 2.757 73 G HA2 -0.425 nan 3.960 nan 0.000 0.638 73 G HA3 -0.425 nan 3.960 nan 0.000 0.638 73 G C -2.047 172.986 174.900 0.222 0.000 1.344 73 G CA -0.510 44.767 45.100 0.295 0.000 0.855 73 G HN 0.162 8.805 8.290 0.588 0.000 0.537 74 D N -0.917 119.561 120.400 0.130 0.000 2.411 74 D HA 0.113 nan 4.640 nan 0.000 0.251 74 D C 0.239 176.567 176.300 0.046 0.000 1.201 74 D CA -1.540 52.532 54.000 0.121 0.000 0.996 74 D CB 1.114 41.955 40.800 0.069 0.000 1.101 74 D HN 0.066 8.500 8.370 0.106 0.000 0.504 75 W N -1.287 120.151 121.300 0.230 0.000 1.924 75 W HA -0.012 nan 4.660 nan 0.000 0.363 75 W C 1.055 177.590 176.519 0.026 0.000 1.435 75 W CA -0.079 57.323 57.345 0.095 0.000 1.497 75 W CB 0.719 30.232 29.460 0.088 0.000 1.263 75 W HN -0.072 8.283 8.180 0.292 0.000 0.667 76 T N -5.550 109.161 114.554 0.262 0.000 3.023 76 T HA -0.006 nan 4.350 nan 0.000 0.253 76 T C -0.493 174.242 174.700 0.058 0.000 1.038 76 T CA 0.212 62.378 62.100 0.111 0.000 0.962 76 T CB 0.185 69.089 68.868 0.059 0.000 1.018 76 T HN 0.229 8.658 8.240 0.316 0.000 0.521 77 Q N -0.806 119.026 119.800 0.054 0.000 2.443 77 Q HA 0.101 nan 4.340 nan 0.000 0.241 77 Q C -2.152 173.812 176.000 -0.059 0.000 0.880 77 Q CA 0.339 56.122 55.803 -0.034 0.000 0.974 77 Q CB 1.819 30.496 28.738 -0.102 0.000 1.482 77 Q HN -0.342 7.998 8.270 0.117 0.000 0.448 78 K N 2.658 123.046 120.400 -0.019 0.000 2.450 78 K HA 0.582 nan 4.320 nan 0.000 0.248 78 K C -0.964 175.623 176.600 -0.022 0.000 1.056 78 K CA -1.157 55.155 56.287 0.040 0.000 0.974 78 K CB 1.627 34.225 32.500 0.163 0.000 1.334 78 K HN -0.038 8.203 8.250 -0.014 0.000 0.516 79 F N -0.375 119.536 119.950 -0.064 0.000 2.368 79 F HA 0.069 nan 4.527 nan 0.000 0.308 79 F C 0.739 176.519 175.800 -0.034 0.000 1.198 79 F CA 0.568 58.546 58.000 -0.036 0.000 1.130 79 F CB 0.809 39.810 39.000 0.002 0.000 1.300 79 F HN 0.068 8.698 8.300 0.550 0.000 0.537 80 H N 0.597 119.785 119.070 0.197 0.000 2.929 80 H HA -0.107 nan 4.556 nan 0.000 0.317 80 H C 1.526 176.913 175.328 0.097 0.000 1.031 80 H CA 2.061 58.173 56.048 0.106 0.000 1.466 80 H CB -0.014 29.794 29.762 0.076 0.000 1.482 80 H HN 0.310 8.882 8.280 0.486 0.000 0.561 81 G N 4.295 113.189 108.800 0.156 0.000 2.234 81 G HA2 -0.288 nan 3.960 nan 0.000 0.235 81 G HA3 -0.288 nan 3.960 nan 0.000 0.235 81 G C -0.118 174.831 174.900 0.082 0.000 0.997 81 G CA -0.335 44.828 45.100 0.105 0.000 0.623 81 G HN 0.641 9.001 8.290 0.117 0.000 0.514 82 G N -0.673 108.190 108.800 0.104 0.000 2.163 82 G HA2 -0.382 nan 3.960 nan 0.000 0.213 82 G HA3 -0.382 nan 3.960 nan 0.000 0.213 82 G C -0.767 174.212 174.900 0.132 0.000 0.991 82 G CA -0.465 44.699 45.100 0.106 0.000 0.653 82 G HN -0.034 8.153 8.290 0.128 0.180 0.518 83 R N 1.271 121.840 120.500 0.115 0.000 2.484 83 R HA 0.171 nan 4.340 nan 0.000 0.293 83 R C -1.817 174.621 176.300 0.230 0.000 1.023 83 R CA -1.858 54.270 56.100 0.047 0.000 1.037 83 R CB 0.310 30.431 30.300 -0.299 0.000 0.951 83 R HN -0.083 8.258 8.270 0.118 0.000 0.418 84 P HA 0.047 nan 4.420 nan 0.000 0.272 84 P C 0.400 177.793 177.300 0.155 0.000 1.223 84 P CA -0.487 62.867 63.100 0.423 0.000 0.784 84 P CB 0.485 32.608 31.700 0.704 0.000 0.923 85 S N 1.549 117.023 115.700 -0.377 0.000 2.374 85 S HA -0.239 nan 4.470 nan 0.000 0.227 85 S C -0.846 173.269 174.600 -0.807 0.000 1.037 85 S CA 3.579 61.247 58.200 -0.887 0.000 1.024 85 S CB 0.382 62.476 63.200 -1.844 0.000 0.861 85 S HN 0.538 8.531 8.310 -0.529 0.000 0.456 86 W N -4.041 117.110 121.300 -0.249 0.000 3.129 86 W HA 0.184 nan 4.660 nan 0.000 0.333 86 W C -1.549 175.165 176.519 0.326 0.000 1.141 86 W CA 0.016 57.371 57.345 0.017 0.000 1.224 86 W CB 4.233 33.674 29.460 -0.031 0.000 1.393 86 W HN -0.708 7.329 8.180 -0.243 -0.002 0.499 87 G N 0.754 109.815 108.800 0.435 0.000 2.649 87 G HA2 0.159 nan 3.960 nan 0.000 0.290 87 G HA3 0.159 nan 3.960 nan 0.000 0.290 87 G C -0.912 174.164 174.900 0.293 0.000 1.426 87 G CA -0.958 44.398 45.100 0.426 0.000 0.794 87 G HN 0.175 8.678 8.290 0.355 0.000 0.483 88 N N -0.815 118.069 118.700 0.305 0.000 2.521 88 N HA -0.213 nan 4.740 nan 0.000 0.188 88 N C 1.149 176.758 175.510 0.165 0.000 1.146 88 N CA 1.717 54.908 53.050 0.234 0.000 0.893 88 N CB 0.213 38.850 38.487 0.249 0.000 0.975 88 N HN 0.468 9.081 8.380 0.389 0.000 0.451 89 E N -2.037 118.255 120.200 0.155 0.000 2.478 89 E HA 0.005 nan 4.350 nan 0.000 0.194 89 E C 0.366 177.009 176.600 0.073 0.000 1.045 89 E CA 1.478 57.934 56.400 0.095 0.000 0.868 89 E CB -0.609 29.139 29.700 0.079 0.000 0.885 89 E HN 0.305 8.697 8.360 0.192 0.083 0.505 90 S N -1.548 114.224 115.700 0.121 0.000 2.447 90 S HA -0.182 nan 4.470 nan 0.000 0.233 90 S C -0.570 174.032 174.600 0.003 0.000 1.006 90 S CA 1.829 60.121 58.200 0.154 0.000 0.957 90 S CB 0.734 64.148 63.200 0.357 0.000 0.773 90 S HN -0.420 7.936 8.310 0.162 0.051 0.507 91 T N -1.423 113.076 114.554 -0.092 0.000 2.843 91 T HA 0.211 nan 4.350 nan 0.000 0.302 91 T C -1.751 172.866 174.700 -0.137 0.000 1.232 91 T CA -0.721 61.226 62.100 -0.254 0.000 1.009 91 T CB 2.263 70.739 68.868 -0.652 0.000 1.254 91 T HN -0.914 7.282 8.240 -0.008 0.040 0.504 92 E N 0.183 120.271 120.200 -0.186 0.000 2.400 92 E HA 0.164 nan 4.350 nan 0.000 0.195 92 E C 0.159 176.627 176.600 -0.221 0.000 1.012 92 E CA 0.633 56.819 56.400 -0.357 0.000 0.875 92 E CB 1.080 30.201 29.700 -0.964 0.000 0.859 92 E HN -0.134 8.373 8.360 -0.135 -0.229 0.498 93 L N 0.044 121.218 121.223 -0.081 0.000 2.380 93 L HA -0.087 nan 4.340 nan 0.000 0.273 93 L C -0.322 176.596 176.870 0.080 0.000 1.138 93 L CA 0.395 55.273 54.840 0.064 0.000 0.832 93 L CB 0.371 42.499 42.059 0.114 0.000 1.124 93 L HN -0.968 7.165 8.230 -0.080 0.050 0.454 94 R N 1.293 121.703 120.500 -0.149 0.000 2.873 94 R HA 0.350 nan 4.340 nan 0.000 0.264 94 R C -1.383 174.539 176.300 -0.630 0.000 1.026 94 R CA -1.842 53.940 56.100 -0.530 0.000 1.002 94 R CB 3.263 32.828 30.300 -1.224 0.000 1.174 94 R HN 0.251 8.812 8.270 -0.047 -0.319 0.488 95 T N -1.745 112.396 114.554 -0.690 0.000 2.786 95 T HA 0.203 nan 4.350 nan 0.000 0.316 95 T C -0.671 173.889 174.700 -0.233 0.000 1.503 95 T CA -0.610 61.219 62.100 -0.452 0.000 1.019 95 T CB 2.163 70.502 68.868 -0.882 0.000 1.415 95 T HN -0.304 7.542 8.240 -0.656 0.000 0.496 96 T N 3.388 117.904 114.554 -0.062 0.000 2.904 96 T HA -0.064 nan 4.350 nan 0.000 0.267 96 T C -1.178 173.502 174.700 -0.033 0.000 1.059 96 T CA 2.453 64.556 62.100 0.005 0.000 1.137 96 T CB 0.411 69.287 68.868 0.013 0.000 0.879 96 T HN 0.221 8.849 8.240 -0.057 -0.422 0.467 97 D N -3.637 116.696 120.400 -0.112 0.000 2.861 97 D HA 0.174 nan 4.640 nan 0.000 0.216 97 D C 0.190 176.435 176.300 -0.092 0.000 1.323 97 D CA -0.693 53.304 54.000 -0.004 0.000 0.917 97 D CB 1.865 42.735 40.800 0.117 0.000 1.582 97 D HN -0.857 7.394 8.370 -0.199 0.000 0.576 98 W N 4.491 125.772 121.300 -0.032 0.000 2.595 98 W HA -0.205 nan 4.660 nan 0.000 0.257 98 W C 1.667 178.051 176.519 -0.225 0.000 1.267 98 W CA 1.878 59.129 57.345 -0.156 0.000 1.300 98 W CB 0.539 29.840 29.460 -0.264 0.000 1.120 98 W HN 0.841 8.988 8.180 0.113 0.101 0.618 99 Y N -1.524 118.860 120.300 0.140 0.000 2.457 99 Y HA -0.361 nan 4.550 nan 0.000 0.292 99 Y C 1.240 177.127 175.900 -0.021 0.000 1.125 99 Y CA 2.860 60.947 58.100 -0.022 0.000 1.254 99 Y CB -1.003 37.340 38.460 -0.196 0.000 1.012 99 Y HN 0.160 8.785 8.280 0.142 -0.260 0.555 100 R N -0.084 120.509 120.500 0.155 0.000 2.198 100 R HA -0.461 nan 4.340 nan 0.000 0.258 100 R C 0.132 176.507 176.300 0.125 0.000 1.173 100 R CA 2.364 58.538 56.100 0.124 0.000 0.991 100 R CB -0.305 30.072 30.300 0.129 0.000 0.879 100 R HN -0.697 7.620 8.270 0.151 0.044 0.460 101 H N -0.906 118.202 119.070 0.063 0.000 3.001 101 H HA -0.066 nan 4.556 nan 0.000 0.334 101 H C -0.476 174.875 175.328 0.039 0.000 1.034 101 H CA 1.557 57.639 56.048 0.056 0.000 1.420 101 H CB 0.319 30.123 29.762 0.070 0.000 1.405 101 H HN -0.594 7.795 8.280 0.254 0.042 0.593 102 R N 6.748 126.921 120.500 -0.545 0.000 2.538 102 R HA 0.155 nan 4.340 nan 0.000 0.292 102 R C -1.636 174.469 176.300 -0.324 0.000 1.008 102 R CA -2.248 53.681 56.100 -0.285 0.000 0.896 102 R CB 2.855 33.040 30.300 -0.192 0.000 1.187 102 R HN 0.395 8.798 8.270 -0.395 -0.370 0.440 103 D N 4.770 125.092 120.400 -0.131 0.000 2.348 103 D HA 0.204 nan 4.640 nan 0.000 0.253 103 D C 0.168 176.444 176.300 -0.040 0.000 1.161 103 D CA -2.753 51.201 54.000 -0.075 0.000 0.876 103 D CB 1.839 42.627 40.800 -0.021 0.000 1.160 103 D HN 0.173 8.659 8.370 0.193 0.000 0.459 104 P HA -0.178 nan 4.420 nan 0.000 0.221 104 P C -0.703 176.519 177.300 -0.130 0.000 1.145 104 P CA 1.794 64.906 63.100 0.020 0.000 0.795 104 P CB 0.117 31.838 31.700 0.036 0.000 0.775 105 A N -5.645 117.086 122.820 -0.148 0.000 2.218 105 A HA 0.025 nan 4.320 nan 0.000 0.209 105 A C -0.232 177.172 177.584 -0.299 0.000 1.168 105 A CA -0.780 51.150 52.037 -0.180 0.000 0.804 105 A CB -0.215 18.727 19.000 -0.095 0.000 0.834 105 A HN -0.561 7.786 8.150 -0.100 -0.257 0.482 106 R N -4.436 115.740 120.500 -0.541 0.000 3.610 106 R HA -0.482 nan 4.340 nan 0.000 0.274 106 R C -0.468 175.472 176.300 -0.599 0.000 1.123 106 R CA 0.820 56.313 56.100 -1.011 0.000 0.747 106 R CB -2.849 27.187 30.300 -0.439 0.000 1.149 106 R HN -0.270 7.521 8.270 -0.464 0.200 0.471 107 R N -0.443 119.857 120.500 -0.333 0.000 2.370 107 R HA -0.113 nan 4.340 nan 0.000 0.309 107 R C -0.551 176.080 176.300 0.552 0.000 1.059 107 R CA 0.523 56.678 56.100 0.092 0.000 0.981 107 R CB 0.170 30.541 30.300 0.118 0.000 0.972 107 R HN -0.504 7.762 8.270 -0.373 -0.220 0.437 108 W N 1.867 123.383 121.300 0.360 0.000 2.941 108 W HA 0.269 nan 4.660 nan 0.000 0.352 108 W C -0.441 176.319 176.519 0.400 0.000 1.368 108 W CA -2.731 54.900 57.345 0.477 0.000 1.232 108 W CB 0.388 30.081 29.460 0.389 0.000 1.586 108 W HN -0.133 8.215 8.180 0.280 0.000 0.649 109 H N 2.146 121.582 119.070 0.611 0.000 2.353 109 H HA -0.550 nan 4.556 nan 0.000 0.298 109 H C 1.665 176.944 175.328 -0.082 0.000 1.103 109 H CA 5.629 61.858 56.048 0.301 0.000 1.293 109 H CB 0.158 30.145 29.762 0.375 0.000 1.372 109 H HN 0.411 9.304 8.280 1.022 0.000 0.501 110 H N -0.569 118.194 119.070 -0.512 0.000 2.256 110 H HA -0.098 nan 4.556 nan 0.000 0.299 110 H C -0.333 174.612 175.328 -0.639 0.000 1.071 110 H CA 5.342 60.957 56.048 -0.721 0.000 1.280 110 H CB -1.921 27.071 29.762 -1.284 0.000 1.370 110 H HN 0.415 8.376 8.280 -0.532 0.000 0.490 111 P HA -0.352 nan 4.420 nan 0.000 0.216 111 P C 1.214 178.196 177.300 -0.529 0.000 1.153 111 P CA 3.097 65.791 63.100 -0.676 0.000 0.858 111 P CB -0.425 30.990 31.700 -0.474 0.000 0.789 112 Y N -1.643 118.275 120.300 -0.636 0.000 2.128 112 Y HA -0.444 nan 4.550 nan 0.000 0.284 112 Y C 1.914 177.453 175.900 -0.603 0.000 1.154 112 Y CA 3.963 61.638 58.100 -0.708 0.000 1.149 112 Y CB 0.257 37.992 38.460 -1.208 0.000 0.976 112 Y HN -0.454 7.567 8.280 -0.419 0.007 0.505 113 V N -5.296 114.219 119.914 -0.666 0.000 2.649 113 V HA -0.295 nan 4.120 nan 0.000 0.248 113 V C 1.713 177.548 176.094 -0.432 0.000 1.054 113 V CA 2.686 64.656 62.300 -0.550 0.000 1.073 113 V CB -1.042 30.582 31.823 -0.332 0.000 0.699 113 V HN -0.346 7.504 8.190 -0.566 0.000 0.463 114 K N 1.303 121.426 120.400 -0.461 0.000 2.009 114 K HA -0.452 nan 4.320 nan 0.000 0.210 114 K C 1.786 178.189 176.600 -0.329 0.000 1.049 114 K CA 4.063 60.111 56.287 -0.397 0.000 0.929 114 K CB -0.392 31.765 32.500 -0.571 0.000 0.714 114 K HN 0.145 8.068 8.250 -0.545 0.000 0.440 115 D N -1.429 118.744 120.400 -0.378 0.000 2.104 115 D HA -0.252 nan 4.640 nan 0.000 0.194 115 D C 2.433 178.570 176.300 -0.272 0.000 0.994 115 D CA 3.423 57.242 54.000 -0.302 0.000 0.830 115 D CB -0.392 40.219 40.800 -0.314 0.000 0.959 115 D HN -0.294 7.807 8.370 -0.449 0.000 0.452 116 K N -0.627 119.541 120.400 -0.387 0.000 2.097 116 K HA -0.293 nan 4.320 nan 0.000 0.205 116 K C 2.212 178.694 176.600 -0.197 0.000 1.050 116 K CA 2.972 59.067 56.287 -0.320 0.000 0.938 116 K CB 0.056 32.253 32.500 -0.504 0.000 0.718 116 K HN -0.737 7.191 8.250 -0.536 0.000 0.442 117 S N -0.401 115.175 115.700 -0.206 0.000 2.383 117 S HA -0.331 nan 4.470 nan 0.000 0.229 117 S C 2.005 176.557 174.600 -0.081 0.000 1.030 117 S CA 3.553 61.676 58.200 -0.128 0.000 1.002 117 S CB -0.433 62.689 63.200 -0.130 0.000 0.829 117 S HN 0.160 8.186 8.310 -0.272 0.121 0.467 118 E N 0.909 121.052 120.200 -0.094 0.000 2.031 118 E HA -0.419 nan 4.350 nan 0.000 0.193 118 E C 2.289 178.900 176.600 0.018 0.000 0.994 118 E CA 3.372 59.743 56.400 -0.048 0.000 0.800 118 E CB -0.188 29.463 29.700 -0.082 0.000 0.752 118 E HN -0.463 7.726 8.360 -0.140 0.087 0.447 119 E N -0.295 119.900 120.200 -0.007 0.000 2.118 119 E HA -0.349 nan 4.350 nan 0.000 0.195 119 E C 2.468 179.084 176.600 0.026 0.000 0.992 119 E CA 2.831 59.247 56.400 0.027 0.000 0.804 119 E CB -0.416 29.285 29.700 0.002 0.000 0.741 119 E HN -0.543 7.717 8.360 -0.058 0.066 0.458 120 A N -0.343 122.476 122.820 -0.003 0.000 1.851 120 A HA -0.308 nan 4.320 nan 0.000 0.216 120 A C 2.176 179.769 177.584 0.015 0.000 1.195 120 A CA 3.165 55.199 52.037 -0.004 0.000 0.622 120 A CB -0.733 18.251 19.000 -0.027 0.000 0.831 120 A HN 0.387 8.315 8.150 -0.029 0.205 0.444 121 R N -2.159 118.360 120.500 0.031 0.000 2.066 121 R HA -0.305 nan 4.340 nan 0.000 0.232 121 R C 2.284 178.649 176.300 0.108 0.000 1.131 121 R CA 3.065 59.195 56.100 0.049 0.000 0.955 121 R CB 0.039 30.363 30.300 0.040 0.000 0.851 121 R HN -0.457 7.824 8.270 0.020 0.000 0.432 122 Y N 0.370 120.676 120.300 0.010 0.000 2.165 122 Y HA -0.385 nan 4.550 nan 0.000 0.286 122 Y C 1.602 177.573 175.900 0.117 0.000 1.155 122 Y CA 2.417 60.548 58.100 0.051 0.000 1.164 122 Y CB -0.298 38.184 38.460 0.038 0.000 0.978 122 Y HN 0.361 8.768 8.280 0.211 0.000 0.513 123 T N 1.021 115.532 114.554 -0.071 0.000 2.759 123 T HA -0.391 nan 4.350 nan 0.000 0.269 123 T C 2.399 177.035 174.700 -0.107 0.000 1.042 123 T CA 5.035 67.091 62.100 -0.073 0.000 1.140 123 T CB -0.751 68.111 68.868 -0.009 0.000 0.864 123 T HN 0.135 8.391 8.240 0.025 0.000 0.455 124 Q N 0.418 120.173 119.800 -0.074 0.000 2.230 124 Q HA -0.171 nan 4.340 nan 0.000 0.202 124 Q C 2.409 178.341 176.000 -0.113 0.000 0.963 124 Q CA 2.757 58.503 55.803 -0.094 0.000 0.866 124 Q CB -0.882 27.828 28.738 -0.047 0.000 0.931 124 Q HN -0.491 7.745 8.270 -0.033 0.014 0.452 125 R N 0.332 120.793 120.500 -0.065 0.000 2.061 125 R HA -0.292 nan 4.340 nan 0.000 0.230 125 R C 2.157 178.378 176.300 -0.133 0.000 1.140 125 R CA 3.541 59.618 56.100 -0.039 0.000 0.940 125 R CB -0.031 30.324 30.300 0.091 0.000 0.839 125 R HN -0.456 7.707 8.270 -0.029 0.090 0.429 126 F N 1.068 120.788 119.950 -0.384 0.000 2.091 126 F HA -0.382 nan 4.527 nan 0.000 0.299 126 F C 1.376 176.876 175.800 -0.499 0.000 1.103 126 F CA 3.396 61.058 58.000 -0.562 0.000 1.228 126 F CB -0.081 38.213 39.000 -1.176 0.000 0.984 126 F HN 0.005 8.198 8.300 -0.178 0.000 0.477 127 L N -2.209 118.541 121.223 -0.788 0.000 2.017 127 L HA -0.520 nan 4.340 nan 0.000 0.208 127 L C 1.965 178.523 176.870 -0.518 0.000 1.073 127 L CA 2.978 57.242 54.840 -0.960 0.000 0.745 127 L CB -0.629 40.906 42.059 -0.873 0.000 0.894 127 L HN -0.076 7.895 8.230 -0.432 0.000 0.432 128 A N -1.763 120.880 122.820 -0.295 0.000 1.972 128 A HA -0.384 nan 4.320 nan 0.000 0.219 128 A C 1.587 179.103 177.584 -0.113 0.000 1.169 128 A CA 3.013 54.974 52.037 -0.127 0.000 0.635 128 A CB -1.023 17.924 19.000 -0.087 0.000 0.810 128 A HN -0.147 7.832 8.150 -0.284 0.000 0.446 129 A N -1.228 121.476 122.820 -0.194 0.000 1.874 129 A HA -0.189 nan 4.320 nan 0.000 0.214 129 A C 1.572 179.053 177.584 -0.172 0.000 1.189 129 A CA 2.543 54.484 52.037 -0.160 0.000 0.615 129 A CB -0.666 18.243 19.000 -0.150 0.000 0.830 129 A HN -0.316 7.556 8.150 -0.278 0.111 0.443 130 Y N -0.161 119.876 120.300 -0.439 0.000 2.151 130 Y HA -0.520 nan 4.550 nan 0.000 0.284 130 Y C 1.537 177.387 175.900 -0.082 0.000 1.166 130 Y CA 3.449 61.335 58.100 -0.356 0.000 1.163 130 Y CB 0.112 38.142 38.460 -0.716 0.000 0.974 130 Y HN 0.038 8.035 8.280 -0.472 0.000 0.511 131 S N -2.753 113.114 115.700 0.278 0.000 2.368 131 S HA -0.326 nan 4.470 nan 0.000 0.224 131 S C 2.707 177.310 174.600 0.005 0.000 1.029 131 S CA 3.603 61.917 58.200 0.190 0.000 0.988 131 S CB -0.647 62.701 63.200 0.246 0.000 0.838 131 S HN -0.240 8.230 8.310 0.267 0.000 0.462 132 S N 2.807 118.494 115.700 -0.022 0.000 2.447 132 S HA -0.200 nan 4.470 nan 0.000 0.233 132 S C 0.941 175.487 174.600 -0.090 0.000 1.006 132 S CA 3.035 61.205 58.200 -0.051 0.000 0.957 132 S CB -0.245 62.926 63.200 -0.049 0.000 0.773 132 S HN -0.524 7.715 8.310 -0.011 0.065 0.507 133 E N -2.486 117.626 120.200 -0.147 0.000 2.358 133 E HA 0.037 nan 4.350 nan 0.000 0.195 133 E C 0.778 177.249 176.600 -0.215 0.000 1.010 133 E CA 0.108 56.387 56.400 -0.201 0.000 0.856 133 E CB 0.638 30.157 29.700 -0.301 0.000 0.795 133 E HN -0.244 7.774 8.360 -0.152 0.251 0.504 134 G N -1.234 107.446 108.800 -0.200 0.000 2.212 134 G HA2 -0.397 nan 3.960 nan 0.000 0.267 134 G HA3 -0.397 nan 3.960 nan 0.000 0.267 134 G C 1.444 176.222 174.900 -0.203 0.000 1.002 134 G CA 1.067 46.072 45.100 -0.157 0.000 0.729 134 G HN -0.344 7.675 8.290 -0.170 0.168 0.517 135 S N 0.928 116.380 115.700 -0.413 0.000 2.465 135 S HA -0.341 nan 4.470 nan 0.000 0.241 135 S C 1.492 176.008 174.600 -0.139 0.000 1.000 135 S CA 3.656 61.611 58.200 -0.408 0.000 0.964 135 S CB -0.532 62.175 63.200 -0.822 0.000 0.763 135 S HN -0.571 7.332 8.310 -0.583 0.057 0.512 136 I N 2.571 123.130 120.570 -0.019 0.000 2.394 136 I HA -0.329 nan 4.170 nan 0.000 0.251 136 I C 0.499 176.656 176.117 0.067 0.000 1.136 136 I CA 0.522 61.909 61.300 0.145 0.000 1.425 136 I CB -0.309 37.759 38.000 0.112 0.000 1.079 136 I HN -0.049 8.033 8.210 -0.100 0.068 0.425 137 R N -2.284 118.223 120.500 0.011 0.000 2.178 137 R HA -0.383 nan 4.340 nan 0.000 0.257 137 R C 1.034 177.357 176.300 0.038 0.000 1.163 137 R CA 3.048 59.156 56.100 0.013 0.000 0.981 137 R CB -0.296 29.997 30.300 -0.012 0.000 0.878 137 R HN -0.162 8.074 8.270 -0.024 0.020 0.454 138 T N -6.726 107.857 114.554 0.047 0.000 3.186 138 T HA 0.150 nan 4.350 nan 0.000 0.257 138 T C 0.320 175.079 174.700 0.098 0.000 1.029 138 T CA -1.252 60.885 62.100 0.061 0.000 0.916 138 T CB -0.070 68.823 68.868 0.041 0.000 1.041 138 T HN -0.701 7.536 8.240 0.041 0.028 0.562 139 I N 2.318 122.967 120.570 0.131 0.000 2.662 139 I HA -0.039 nan 4.170 nan 0.000 0.291 139 I C -1.542 174.690 176.117 0.192 0.000 1.046 139 I CA 0.059 61.469 61.300 0.183 0.000 1.361 139 I CB 1.809 39.949 38.000 0.234 0.000 1.429 139 I HN -0.259 7.969 8.210 0.122 0.054 0.558 140 D N 7.687 128.231 120.400 0.241 0.000 2.417 140 D HA 0.116 nan 4.640 nan 0.000 0.250 140 D C -0.589 175.876 176.300 0.276 0.000 1.166 140 D CA -1.386 52.765 54.000 0.252 0.000 0.881 140 D CB 1.307 42.285 40.800 0.296 0.000 1.164 140 D HN -0.333 8.188 8.370 0.252 0.000 0.467 141 P HA -0.187 nan 4.420 nan 0.000 0.217 141 P C 0.407 177.827 177.300 0.200 0.000 1.150 141 P CA 2.128 65.342 63.100 0.190 0.000 0.832 141 P CB 0.076 31.869 31.700 0.155 0.000 0.787 142 Y N -1.800 118.568 120.300 0.114 0.000 2.163 142 Y HA -0.322 nan 4.550 nan 0.000 0.288 142 Y C 1.405 177.361 175.900 0.094 0.000 1.136 142 Y CA 3.391 61.539 58.100 0.081 0.000 1.147 142 Y CB 0.136 38.624 38.460 0.047 0.000 0.987 142 Y HN -0.705 7.817 8.280 0.336 -0.041 0.509 143 W N -0.886 120.436 121.300 0.037 0.000 2.335 143 W HA -0.563 nan 4.660 nan 0.000 0.311 143 W C 1.591 178.132 176.519 0.037 0.000 1.213 143 W CA 3.506 60.832 57.345 -0.032 0.000 1.274 143 W CB 0.276 29.731 29.460 -0.009 0.000 1.148 143 W HN 0.298 9.087 8.180 0.440 -0.345 0.498 144 R N -1.602 118.969 120.500 0.120 0.000 2.075 144 R HA -0.509 nan 4.340 nan 0.000 0.230 144 R C 1.893 178.261 176.300 0.114 0.000 1.140 144 R CA 4.092 60.261 56.100 0.115 0.000 0.928 144 R CB -0.219 30.202 30.300 0.201 0.000 0.834 144 R HN -0.021 8.419 8.270 0.284 0.000 0.429 145 D N -2.254 118.186 120.400 0.066 0.000 2.097 145 D HA -0.203 nan 4.640 nan 0.000 0.197 145 D C 1.650 177.838 176.300 -0.188 0.000 0.984 145 D CA 2.879 56.863 54.000 -0.026 0.000 0.826 145 D CB -0.282 40.513 40.800 -0.008 0.000 0.973 145 D HN 0.231 8.531 8.370 0.071 0.112 0.460 146 E N -2.366 117.632 120.200 -0.336 0.000 2.060 146 E HA 0.033 nan 4.350 nan 0.000 0.189 146 E C 1.892 178.353 176.600 -0.232 0.000 0.974 146 E CA 1.401 57.561 56.400 -0.400 0.000 0.808 146 E CB 0.927 30.096 29.700 -0.885 0.000 0.768 146 E HN -0.160 7.850 8.360 -0.408 0.105 0.453 147 I N -0.952 119.422 120.570 -0.326 0.000 2.272 147 I HA -0.189 nan 4.170 nan 0.000 0.235 147 I C 2.303 178.375 176.117 -0.076 0.000 1.071 147 I CA 0.982 62.188 61.300 -0.157 0.000 1.374 147 I CB -0.470 37.252 38.000 -0.464 0.000 1.121 147 I HN -0.730 7.185 8.210 -0.492 0.000 0.420 148 L N 0.419 121.399 121.223 -0.405 0.000 1.956 148 L HA -0.504 nan 4.340 nan 0.000 0.216 148 L C 1.844 178.752 176.870 0.063 0.000 1.073 148 L CA 3.716 58.445 54.840 -0.185 0.000 0.762 148 L CB -0.475 41.415 42.059 -0.281 0.000 0.889 148 L HN 0.455 8.140 8.230 -0.733 0.105 0.433 149 N N -3.316 115.401 118.700 0.029 0.000 2.137 149 N HA -0.382 nan 4.740 nan 0.000 0.190 149 N C 2.282 177.723 175.510 -0.116 0.000 1.017 149 N CA 3.538 56.557 53.050 -0.050 0.000 0.859 149 N CB 0.220 38.483 38.487 -0.374 0.000 1.002 149 N HN -0.318 8.060 8.380 -0.003 0.000 0.428 150 K N -1.269 119.072 120.400 -0.098 0.000 2.157 150 K HA -0.073 nan 4.320 nan 0.000 0.207 150 K C 2.399 178.897 176.600 -0.169 0.000 1.030 150 K CA 2.848 59.021 56.287 -0.191 0.000 0.965 150 K CB 0.460 32.781 32.500 -0.298 0.000 0.877 150 K HN -0.716 7.483 8.250 -0.057 0.018 0.460 151 Y N -1.263 119.143 120.300 0.177 0.000 2.373 151 Y HA -0.269 nan 4.550 nan 0.000 0.293 151 Y C 2.566 178.666 175.900 0.333 0.000 1.129 151 Y CA 3.361 61.712 58.100 0.420 0.000 1.226 151 Y CB 0.034 38.803 38.460 0.514 0.000 1.000 151 Y HN -0.344 8.150 8.280 0.356 0.000 0.549 152 F N 0.834 120.759 119.950 -0.042 0.000 2.206 152 F HA -0.246 nan 4.527 nan 0.000 0.298 152 F C 1.607 177.220 175.800 -0.311 0.000 1.090 152 F CA 1.918 59.550 58.000 -0.615 0.000 1.323 152 F CB 0.100 38.694 39.000 -0.676 0.000 1.028 152 F HN -0.690 7.810 8.300 0.333 0.000 0.492 153 G N -1.875 106.776 108.800 -0.248 0.000 2.433 153 G HA2 -0.460 nan 3.960 nan 0.000 0.216 153 G HA3 -0.460 nan 3.960 nan 0.000 0.216 153 G C 1.068 175.823 174.900 -0.241 0.000 1.186 153 G CA 1.572 46.498 45.100 -0.290 0.000 0.779 153 G HN -0.545 7.704 8.290 -0.068 0.000 0.543 154 A N 2.872 125.597 122.820 -0.159 0.000 1.903 154 A HA -0.289 nan 4.320 nan 0.000 0.219 154 A C 1.957 179.315 177.584 -0.377 0.000 1.191 154 A CA 2.884 54.808 52.037 -0.188 0.000 0.638 154 A CB -0.770 18.099 19.000 -0.219 0.000 0.823 154 A HN 0.270 8.238 8.150 -0.120 0.109 0.451 155 L N -1.639 119.328 121.223 -0.427 0.000 2.189 155 L HA -0.312 nan 4.340 nan 0.000 0.214 155 L C 1.495 178.123 176.870 -0.404 0.000 1.097 155 L CA 2.494 57.115 54.840 -0.365 0.000 0.764 155 L CB -0.154 41.838 42.059 -0.110 0.000 0.900 155 L HN -0.660 7.405 8.230 -0.275 0.000 0.436 156 L N -2.663 118.277 121.223 -0.471 0.000 2.127 156 L HA -0.371 nan 4.340 nan 0.000 0.211 156 L C 1.349 177.898 176.870 -0.536 0.000 1.089 156 L CA 3.241 57.783 54.840 -0.496 0.000 0.757 156 L CB -1.520 40.191 42.059 -0.579 0.000 0.899 156 L HN -0.242 7.554 8.230 -0.467 0.155 0.434 157 Y N -2.307 117.593 120.300 -0.665 0.000 2.352 157 Y HA -0.387 nan 4.550 nan 0.000 0.292 157 Y C 2.398 177.794 175.900 -0.840 0.000 1.136 157 Y CA 3.795 61.377 58.100 -0.863 0.000 1.227 157 Y CB -1.084 36.395 38.460 -1.634 0.000 0.991 157 Y HN 0.123 7.993 8.280 -0.487 0.118 0.545 158 S N -1.234 114.061 115.700 -0.675 0.000 2.357 158 S HA -0.270 nan 4.470 nan 0.000 0.221 158 S C 1.948 176.559 174.600 0.018 0.000 1.031 158 S CA 3.341 61.443 58.200 -0.164 0.000 0.982 158 S CB -0.349 62.974 63.200 0.205 0.000 0.853 158 S HN -0.081 7.654 8.310 -0.683 0.165 0.458 159 E N 1.785 121.965 120.200 -0.034 0.000 2.051 159 E HA -0.347 nan 4.350 nan 0.000 0.192 159 E C 2.327 178.938 176.600 0.019 0.000 0.991 159 E CA 2.803 59.218 56.400 0.025 0.000 0.799 159 E CB -0.368 29.326 29.700 -0.009 0.000 0.748 159 E HN -0.665 7.620 8.360 -0.125 0.000 0.449 160 Y N 0.485 120.686 120.300 -0.165 0.000 2.207 160 Y HA -0.407 nan 4.550 nan 0.000 0.287 160 Y C 1.911 177.737 175.900 -0.122 0.000 1.156 160 Y CA 3.098 61.123 58.100 -0.126 0.000 1.182 160 Y CB -0.144 38.162 38.460 -0.256 0.000 0.979 160 Y HN 0.526 8.673 8.280 -0.041 0.109 0.521 161 G N -1.355 107.343 108.800 -0.169 0.000 2.421 161 G HA2 -0.409 nan 3.960 nan 0.000 0.216 161 G HA3 -0.409 nan 3.960 nan 0.000 0.216 161 G C 0.968 175.598 174.900 -0.450 0.000 1.171 161 G CA 1.967 46.881 45.100 -0.309 0.000 0.775 161 G HN -0.312 7.875 8.290 -0.019 0.092 0.543 162 L N 1.462 122.571 121.223 -0.189 0.000 2.083 162 L HA -0.401 nan 4.340 nan 0.000 0.209 162 L C 1.707 178.519 176.870 -0.097 0.000 1.083 162 L CA 2.464 57.228 54.840 -0.127 0.000 0.752 162 L CB -0.220 41.840 42.059 0.002 0.000 0.899 162 L HN -0.342 7.841 8.230 -0.078 0.000 0.433 163 F N -0.456 119.326 119.950 -0.279 0.000 2.095 163 F HA -0.512 nan 4.527 nan 0.000 0.298 163 F C 1.968 177.533 175.800 -0.393 0.000 1.104 163 F CA 3.701 61.497 58.000 -0.340 0.000 1.232 163 F CB -0.210 38.565 39.000 -0.374 0.000 0.987 163 F HN 0.305 8.573 8.300 -0.052 0.000 0.475 164 N N -0.024 117.886 118.700 -1.318 0.000 2.244 164 N HA -0.294 nan 4.740 nan 0.000 0.183 164 N C 2.061 176.958 175.510 -1.020 0.000 1.016 164 N CA 2.800 54.944 53.050 -1.511 0.000 0.866 164 N CB -0.240 37.082 38.487 -1.942 0.000 0.980 164 N HN -0.180 7.517 8.380 -1.010 0.077 0.430 165 A N -1.966 120.381 122.820 -0.788 0.000 2.272 165 A HA -0.169 nan 4.320 nan 0.000 0.213 165 A C 0.865 178.293 177.584 -0.260 0.000 1.183 165 A CA 1.934 53.772 52.037 -0.332 0.000 0.719 165 A CB -0.675 18.187 19.000 -0.230 0.000 0.771 165 A HN -0.258 7.411 8.150 -0.801 0.000 0.484 166 H N -3.156 115.698 119.070 -0.359 0.000 2.592 166 H HA 0.148 nan 4.556 nan 0.000 0.265 166 H C 1.920 177.121 175.328 -0.212 0.000 0.955 166 H CA 1.306 57.214 56.048 -0.235 0.000 1.175 166 H CB 0.248 29.865 29.762 -0.242 0.000 1.433 166 H HN -0.625 7.409 8.280 -0.243 0.101 0.537 167 S N 1.025 116.638 115.700 -0.146 0.000 2.353 167 S HA -0.384 nan 4.470 nan 0.000 0.222 167 S C 1.947 176.530 174.600 -0.030 0.000 1.035 167 S CA 4.496 62.639 58.200 -0.095 0.000 1.025 167 S CB -0.531 62.620 63.200 -0.082 0.000 0.902 167 S HN 0.058 8.220 8.310 -0.248 0.000 0.440 168 S N 1.584 117.280 115.700 -0.006 0.000 2.383 168 S HA -0.196 nan 4.470 nan 0.000 0.227 168 S C 1.829 176.429 174.600 0.000 0.000 1.026 168 S CA 2.904 61.112 58.200 0.013 0.000 0.981 168 S CB -0.534 62.686 63.200 0.034 0.000 0.818 168 S HN 0.198 8.508 8.310 -0.000 0.000 0.472 169 V N 2.899 122.808 119.914 -0.008 0.000 2.255 169 V HA -0.369 nan 4.120 nan 0.000 0.247 169 V C 2.076 178.104 176.094 -0.110 0.000 1.051 169 V CA 3.991 66.279 62.300 -0.019 0.000 1.018 169 V CB -0.832 30.988 31.823 -0.005 0.000 0.641 169 V HN -0.099 8.076 8.190 -0.017 0.005 0.445 170 G N -2.373 106.387 108.800 -0.067 0.000 2.469 170 G HA2 -0.401 nan 3.960 nan 0.000 0.220 170 G HA3 -0.401 nan 3.960 nan 0.000 0.220 170 G C 0.194 175.051 174.900 -0.070 0.000 1.136 170 G CA 2.622 47.673 45.100 -0.081 0.000 0.759 170 G HN 0.464 8.625 8.290 -0.034 0.108 0.562 171 R N -0.258 120.222 120.500 -0.034 0.000 2.140 171 R HA 0.026 nan 4.340 nan 0.000 0.213 171 R C 1.376 177.712 176.300 0.061 0.000 1.059 171 R CA 1.920 58.033 56.100 0.022 0.000 1.000 171 R CB -0.176 30.135 30.300 0.018 0.000 0.910 171 R HN -0.796 7.333 8.270 -0.033 0.122 0.455 172 D N -1.565 118.804 120.400 -0.052 0.000 2.367 172 D HA 0.182 nan 4.640 nan 0.000 0.207 172 D C -0.070 175.871 176.300 -0.597 0.000 1.034 172 D CA 1.029 54.970 54.000 -0.098 0.000 0.861 172 D CB 0.954 41.772 40.800 0.030 0.000 0.943 172 D HN 0.138 8.261 8.370 -0.084 0.196 0.515 173 C N -2.045 116.637 119.300 -1.030 0.000 2.689 173 C HA -0.038 nan 4.460 nan 0.000 0.409 173 C C 1.231 175.407 174.990 -1.357 0.000 1.293 173 C CA -0.932 56.913 59.018 -1.955 0.000 2.136 173 C CB 0.557 27.325 27.740 -1.620 0.000 2.719 173 C HN -0.182 7.647 8.230 -0.668 0.000 0.644 174 L N -0.673 119.713 121.223 -1.395 0.000 2.629 174 L HA -0.041 nan 4.340 nan 0.000 0.230 174 L C -0.345 176.002 176.870 -0.873 0.000 1.151 174 L CA 0.495 54.721 54.840 -1.024 0.000 0.924 174 L CB -0.406 41.047 42.059 -1.011 0.000 1.137 174 L HN 0.376 7.474 8.230 -1.887 0.000 0.457 175 S N -3.338 111.887 115.700 -0.791 0.000 2.550 175 S HA 0.110 nan 4.470 nan 0.000 0.270 175 S C -0.099 174.241 174.600 -0.434 0.000 1.145 175 S CA -2.041 55.790 58.200 -0.614 0.000 0.852 175 S CB 2.328 65.255 63.200 -0.455 0.000 1.119 175 S HN -0.760 6.980 8.310 -0.850 0.060 0.465 176 D N 4.690 124.928 120.400 -0.269 0.000 2.084 176 D HA -0.295 nan 4.640 nan 0.000 0.194 176 D C 1.429 177.639 176.300 -0.149 0.000 0.990 176 D CA 3.068 56.951 54.000 -0.195 0.000 0.826 176 D CB -0.589 40.139 40.800 -0.120 0.000 0.971 176 D HN 0.506 8.755 8.370 -0.201 0.000 0.453 177 T N -3.094 111.412 114.554 -0.080 0.000 2.684 177 T HA -0.276 nan 4.350 nan 0.000 0.267 177 T C 1.818 176.608 174.700 0.150 0.000 1.036 177 T CA 3.196 65.315 62.100 0.030 0.000 1.148 177 T CB -0.583 68.312 68.868 0.045 0.000 0.863 177 T HN -0.448 7.749 8.240 -0.072 0.000 0.436 178 I N 1.731 122.368 120.570 0.111 0.000 2.286 178 I HA -0.510 nan 4.170 nan 0.000 0.248 178 I C 1.634 177.652 176.117 -0.166 0.000 1.115 178 I CA 3.558 64.831 61.300 -0.046 0.000 1.392 178 I CB -0.468 37.418 38.000 -0.189 0.000 1.065 178 I HN -0.755 7.475 8.210 0.034 0.000 0.418 179 R N -0.228 120.125 120.500 -0.245 0.000 2.080 179 R HA -0.461 nan 4.340 nan 0.000 0.236 179 R C 2.176 178.303 176.300 -0.288 0.000 1.137 179 R CA 4.014 59.945 56.100 -0.281 0.000 0.943 179 R CB -0.404 29.719 30.300 -0.294 0.000 0.846 179 R HN -0.386 7.640 8.270 -0.253 0.093 0.431 180 Q N -2.035 117.568 119.800 -0.329 0.000 2.119 180 Q HA -0.289 nan 4.340 nan 0.000 0.201 180 Q C 2.723 178.293 176.000 -0.716 0.000 0.972 180 Q CA 3.522 58.922 55.803 -0.672 0.000 0.847 180 Q CB -0.133 28.293 28.738 -0.520 0.000 0.903 180 Q HN 0.047 8.176 8.270 -0.236 0.000 0.433 181 T N 2.191 116.600 114.554 -0.243 0.000 2.788 181 T HA -0.275 nan 4.350 nan 0.000 0.268 181 T C 1.753 176.399 174.700 -0.090 0.000 1.044 181 T CA 4.742 66.809 62.100 -0.055 0.000 1.139 181 T CB -0.537 68.434 68.868 0.172 0.000 0.867 181 T HN 0.152 8.319 8.240 -0.122 0.000 0.454 182 A N 0.947 123.702 122.820 -0.109 0.000 1.898 182 A HA -0.135 nan 4.320 nan 0.000 0.216 182 A C 1.881 179.452 177.584 -0.022 0.000 1.181 182 A CA 3.196 55.234 52.037 0.003 0.000 0.620 182 A CB -0.725 18.261 19.000 -0.023 0.000 0.819 182 A HN 0.021 7.871 8.150 -0.152 0.209 0.442 183 V N -0.415 119.388 119.914 -0.186 0.000 2.379 183 V HA -0.333 nan 4.120 nan 0.000 0.245 183 V C 2.017 178.061 176.094 -0.084 0.000 1.044 183 V CA 4.265 66.469 62.300 -0.161 0.000 1.036 183 V CB -0.941 30.761 31.823 -0.202 0.000 0.664 183 V HN 0.183 8.025 8.190 -0.288 0.176 0.453 184 F N -1.560 118.218 119.950 -0.286 0.000 2.293 184 F HA -0.251 nan 4.527 nan 0.000 0.300 184 F C 1.827 177.500 175.800 -0.211 0.000 1.086 184 F CA 0.836 58.541 58.000 -0.493 0.000 1.375 184 F CB -2.032 36.520 39.000 -0.747 0.000 1.045 184 F HN 0.191 8.178 8.300 -0.523 0.000 0.516 185 A N -0.377 122.450 122.820 0.011 0.000 1.873 185 A HA -0.340 nan 4.320 nan 0.000 0.215 185 A C 1.716 179.223 177.584 -0.129 0.000 1.186 185 A CA 2.974 54.995 52.037 -0.027 0.000 0.616 185 A CB -1.158 17.838 19.000 -0.007 0.000 0.823 185 A HN -0.404 7.631 8.150 -0.018 0.104 0.442 186 A N -0.978 121.636 122.820 -0.342 0.000 1.877 186 A HA -0.254 nan 4.320 nan 0.000 0.216 186 A C 1.759 179.382 177.584 0.065 0.000 1.186 186 A CA 2.867 54.659 52.037 -0.409 0.000 0.620 186 A CB -0.700 18.063 19.000 -0.395 0.000 0.822 186 A HN -0.542 7.377 8.150 -0.254 0.079 0.443 187 L N -2.625 118.650 121.223 0.086 0.000 2.131 187 L HA -0.351 nan 4.340 nan 0.000 0.210 187 L C 1.732 178.615 176.870 0.023 0.000 1.092 187 L CA 2.926 57.825 54.840 0.099 0.000 0.759 187 L CB -0.280 41.874 42.059 0.160 0.000 0.903 187 L HN -0.109 8.153 8.230 0.055 0.000 0.435 188 D N -1.889 118.513 120.400 0.003 0.000 2.178 188 D HA -0.241 nan 4.640 nan 0.000 0.202 188 D C 2.489 178.819 176.300 0.049 0.000 0.974 188 D CA 3.419 57.362 54.000 -0.094 0.000 0.841 188 D CB -0.783 39.930 40.800 -0.145 0.000 0.953 188 D HN -0.230 8.151 8.370 0.032 0.008 0.478 189 K N -0.243 120.205 120.400 0.079 0.000 2.103 189 K HA -0.071 nan 4.320 nan 0.000 0.204 189 K C 2.319 178.945 176.600 0.044 0.000 1.052 189 K CA 1.951 58.305 56.287 0.111 0.000 0.945 189 K CB -0.288 32.288 32.500 0.126 0.000 0.722 189 K HN -0.641 7.524 8.250 0.057 0.119 0.443 190 V N 0.847 120.729 119.914 -0.054 0.000 2.809 190 V HA -0.286 nan 4.120 nan 0.000 0.256 190 V C 1.293 177.290 176.094 -0.161 0.000 1.080 190 V CA 3.221 65.347 62.300 -0.289 0.000 1.102 190 V CB -0.524 30.752 31.823 -0.911 0.000 0.705 190 V HN -0.106 8.088 8.190 0.008 0.000 0.475 191 D N -0.266 120.093 120.400 -0.067 0.000 2.097 191 D HA -0.248 nan 4.640 nan 0.000 0.197 191 D C 1.853 178.186 176.300 0.054 0.000 0.984 191 D CA 3.639 57.640 54.000 0.001 0.000 0.826 191 D CB -0.303 40.522 40.800 0.041 0.000 0.973 191 D HN -0.117 8.108 8.370 -0.051 0.115 0.460 192 N N -0.206 118.552 118.700 0.097 0.000 2.043 192 N HA -0.355 nan 4.740 nan 0.000 0.193 192 N C 2.137 177.617 175.510 -0.050 0.000 1.037 192 N CA 3.041 56.139 53.050 0.080 0.000 0.851 192 N CB -0.503 38.050 38.487 0.110 0.000 1.027 192 N HN -0.429 7.945 8.380 0.113 0.074 0.422 193 A N -0.314 122.449 122.820 -0.096 0.000 1.865 193 A HA -0.354 nan 4.320 nan 0.000 0.217 193 A C 2.370 179.818 177.584 -0.227 0.000 1.191 193 A CA 3.244 55.158 52.037 -0.206 0.000 0.623 193 A CB -0.825 18.068 19.000 -0.178 0.000 0.826 193 A HN -0.338 7.779 8.150 -0.054 0.000 0.444 194 Q N -1.845 117.857 119.800 -0.164 0.000 2.124 194 Q HA -0.353 nan 4.340 nan 0.000 0.202 194 Q C 2.882 178.827 176.000 -0.092 0.000 0.977 194 Q CA 3.030 58.748 55.803 -0.141 0.000 0.850 194 Q CB -0.031 28.641 28.738 -0.110 0.000 0.901 194 Q HN -0.075 8.004 8.270 -0.139 0.108 0.429 195 M N -0.844 118.739 119.600 -0.029 0.000 2.200 195 M HA -0.233 nan 4.480 nan 0.000 0.265 195 M C 2.470 178.691 176.300 -0.131 0.000 1.066 195 M CA 1.885 57.225 55.300 0.068 0.000 1.127 195 M CB -0.662 32.077 32.600 0.231 0.000 1.379 195 M HN 0.427 8.515 8.290 -0.020 0.190 0.420 196 I N -0.264 120.161 120.570 -0.243 0.000 2.286 196 I HA -0.571 nan 4.170 nan 0.000 0.248 196 I C 2.071 177.940 176.117 -0.412 0.000 1.115 196 I CA 4.154 65.169 61.300 -0.475 0.000 1.392 196 I CB -0.573 36.992 38.000 -0.725 0.000 1.065 196 I HN 0.231 8.322 8.210 -0.199 0.000 0.418 197 Q N -0.519 119.096 119.800 -0.308 0.000 2.123 197 Q HA -0.290 nan 4.340 nan 0.000 0.199 197 Q C 2.078 177.984 176.000 -0.156 0.000 0.966 197 Q CA 2.599 58.268 55.803 -0.224 0.000 0.845 197 Q CB -0.486 28.126 28.738 -0.210 0.000 0.907 197 Q HN -0.563 7.527 8.270 -0.292 0.005 0.439 198 M N 0.554 120.072 119.600 -0.137 0.000 2.108 198 M HA -0.474 nan 4.480 nan 0.000 0.261 198 M C 1.631 177.876 176.300 -0.092 0.000 1.066 198 M CA 4.159 59.433 55.300 -0.043 0.000 1.107 198 M CB -0.121 32.532 32.600 0.089 0.000 1.356 198 M HN -0.219 7.902 8.290 -0.140 0.085 0.406 199 E N -0.844 119.079 120.200 -0.461 0.000 2.077 199 E HA -0.417 nan 4.350 nan 0.000 0.193 199 E C 2.151 178.675 176.600 -0.127 0.000 0.989 199 E CA 3.495 59.581 56.400 -0.523 0.000 0.800 199 E CB -0.299 28.779 29.700 -1.038 0.000 0.746 199 E HN -0.166 7.819 8.360 -0.625 0.000 0.452 200 R N -1.327 119.116 120.500 -0.095 0.000 2.081 200 R HA -0.290 nan 4.340 nan 0.000 0.235 200 R C 2.831 179.184 176.300 0.088 0.000 1.131 200 R CA 3.242 59.385 56.100 0.070 0.000 0.960 200 R CB -0.087 30.248 30.300 0.058 0.000 0.856 200 R HN -0.552 7.525 8.270 -0.181 0.085 0.436 201 L N -1.302 119.949 121.223 0.045 0.000 2.109 201 L HA -0.312 nan 4.340 nan 0.000 0.207 201 L C 2.104 179.020 176.870 0.077 0.000 1.086 201 L CA 2.776 57.655 54.840 0.064 0.000 0.760 201 L CB -0.293 41.795 42.059 0.049 0.000 0.910 201 L HN 0.271 8.425 8.230 0.005 0.080 0.437 202 F N 0.958 120.866 119.950 -0.071 0.000 2.134 202 F HA -0.405 nan 4.527 nan 0.000 0.299 202 F C 1.657 177.366 175.800 -0.151 0.000 1.097 202 F CA 3.117 61.071 58.000 -0.076 0.000 1.264 202 F CB 0.082 39.060 39.000 -0.037 0.000 1.001 202 F HN 0.056 8.474 8.300 0.197 0.000 0.479 203 I N -1.768 118.604 120.570 -0.331 0.000 2.179 203 I HA -0.694 nan 4.170 nan 0.000 0.242 203 I C 1.399 177.134 176.117 -0.636 0.000 1.088 203 I CA 4.062 64.950 61.300 -0.686 0.000 1.357 203 I CB -0.493 36.837 38.000 -1.117 0.000 1.051 203 I HN -0.035 8.080 8.210 -0.148 0.006 0.409 204 A N -0.627 121.981 122.820 -0.355 0.000 1.892 204 A HA -0.369 nan 4.320 nan 0.000 0.218 204 A C 1.738 179.263 177.584 -0.098 0.000 1.188 204 A CA 3.108 55.126 52.037 -0.033 0.000 0.631 204 A CB -0.897 18.193 19.000 0.149 0.000 0.822 204 A HN -0.428 7.578 8.150 -0.240 0.000 0.447 205 K N -3.620 116.702 120.400 -0.129 0.000 2.281 205 K HA -0.277 nan 4.320 nan 0.000 0.203 205 K C 1.147 177.637 176.600 -0.184 0.000 1.046 205 K CA 2.196 58.411 56.287 -0.120 0.000 0.938 205 K CB 0.000 32.450 32.500 -0.083 0.000 0.737 205 K HN -0.603 7.576 8.250 -0.119 0.000 0.458 206 L N -2.782 118.263 121.223 -0.297 0.000 2.362 206 L HA 0.024 nan 4.340 nan 0.000 0.204 206 L C 0.362 177.126 176.870 -0.178 0.000 1.060 206 L CA 1.199 55.871 54.840 -0.280 0.000 0.827 206 L CB 1.284 43.081 42.059 -0.436 0.000 1.027 206 L HN -0.488 7.330 8.230 -0.364 0.194 0.474 207 V N -0.234 119.570 119.914 -0.183 0.000 2.293 207 V HA 0.388 nan 4.120 nan 0.000 0.275 207 V C -2.250 173.846 176.094 0.005 0.000 1.021 207 V CA -2.803 59.448 62.300 -0.082 0.000 0.815 207 V CB 0.554 32.322 31.823 -0.092 0.000 1.025 207 V HN 0.111 8.141 8.190 -0.266 0.000 0.448 208 P HA -0.098 nan 4.420 nan 0.000 0.260 208 P C 0.244 177.582 177.300 0.063 0.000 1.172 208 P CA 1.632 64.750 63.100 0.030 0.000 0.760 208 P CB 0.086 31.793 31.700 0.013 0.000 0.773 209 G N 2.778 111.620 108.800 0.069 0.000 2.213 209 G HA2 -0.385 nan 3.960 nan 0.000 0.236 209 G HA3 -0.385 nan 3.960 nan 0.000 0.236 209 G C -0.784 174.169 174.900 0.089 0.000 0.991 209 G CA -0.445 44.691 45.100 0.059 0.000 0.629 209 G HN 0.318 8.645 8.290 0.062 0.000 0.517 210 F N 3.212 123.143 119.950 -0.032 0.000 2.502 210 F HA -0.169 nan 4.527 nan 0.000 0.371 210 F C -1.178 174.598 175.800 -0.039 0.000 1.083 210 F CA 0.345 58.322 58.000 -0.037 0.000 1.174 210 F CB 0.656 39.630 39.000 -0.044 0.000 1.096 210 F HN -0.589 7.793 8.300 0.254 0.071 0.545 211 D N 8.768 129.021 120.400 -0.246 0.000 2.393 211 D HA 0.004 nan 4.640 nan 0.000 0.232 211 D C -0.836 175.360 176.300 -0.174 0.000 1.192 211 D CA -1.015 52.895 54.000 -0.150 0.000 0.882 211 D CB 0.275 40.977 40.800 -0.164 0.000 1.038 211 D HN 0.187 8.285 8.370 -0.453 0.000 0.499 212 A N 4.929 127.786 122.820 0.060 0.000 2.235 212 A HA -0.051 nan 4.320 nan 0.000 0.208 212 A C 0.193 177.777 177.584 -0.000 0.000 1.172 212 A CA 0.426 52.528 52.037 0.108 0.000 0.786 212 A CB 0.058 19.172 19.000 0.189 0.000 0.804 212 A HN 0.057 8.283 8.150 0.127 0.000 0.479 213 S N -1.116 114.562 115.700 -0.036 0.000 2.596 213 S HA -0.040 nan 4.470 nan 0.000 0.260 213 S C 0.930 175.496 174.600 -0.057 0.000 1.336 213 S CA 0.409 58.583 58.200 -0.043 0.000 0.993 213 S CB 1.216 64.391 63.200 -0.042 0.000 0.923 213 S HN -0.525 7.974 8.310 -0.044 -0.215 0.567 214 T N -4.160 110.369 114.554 -0.041 0.000 3.100 214 T HA 0.194 nan 4.350 nan 0.000 0.253 214 T C 1.865 176.563 174.700 -0.003 0.000 1.118 214 T CA 1.460 63.553 62.100 -0.011 0.000 1.058 214 T CB -0.494 68.389 68.868 0.026 0.000 0.953 214 T HN 0.280 8.498 8.240 -0.037 0.000 0.515 215 D N 3.377 123.758 120.400 -0.031 0.000 2.154 215 D HA -0.360 nan 4.640 nan 0.000 0.190 215 D C 1.708 177.968 176.300 -0.066 0.000 1.003 215 D CA 3.457 57.431 54.000 -0.042 0.000 0.849 215 D CB -0.744 40.028 40.800 -0.046 0.000 0.942 215 D HN -0.445 7.846 8.370 -0.036 0.057 0.446 216 V N -1.348 118.512 119.914 -0.089 0.000 2.283 216 V HA -0.108 nan 4.120 nan 0.000 0.243 216 V C -0.917 175.099 176.094 -0.130 0.000 1.039 216 V CA 5.572 67.803 62.300 -0.114 0.000 1.016 216 V CB -2.322 29.415 31.823 -0.143 0.000 0.650 216 V HN 0.379 8.513 8.190 -0.093 0.000 0.449 217 P HA -0.178 nan 4.420 nan 0.000 0.218 217 P C 1.681 178.904 177.300 -0.127 0.000 1.148 217 P CA 2.662 65.697 63.100 -0.109 0.000 0.822 217 P CB -0.598 31.065 31.700 -0.060 0.000 0.784 218 K N -0.660 119.653 120.400 -0.146 0.000 2.002 218 K HA -0.286 nan 4.320 nan 0.000 0.209 218 K C 2.220 178.675 176.600 -0.242 0.000 1.048 218 K CA 2.939 58.986 56.287 -0.401 0.000 0.930 218 K CB -0.377 32.017 32.500 -0.175 0.000 0.714 218 K HN 0.383 8.477 8.250 -0.062 0.119 0.438 219 K N -0.323 119.998 120.400 -0.132 0.000 2.032 219 K HA -0.289 nan 4.320 nan 0.000 0.209 219 K C 2.317 178.881 176.600 -0.061 0.000 1.048 219 K CA 3.227 59.462 56.287 -0.086 0.000 0.927 219 K CB -0.143 32.314 32.500 -0.071 0.000 0.712 219 K HN -0.529 7.651 8.250 -0.117 0.000 0.441 220 I N -1.184 119.345 120.570 -0.070 0.000 2.118 220 I HA -0.555 nan 4.170 nan 0.000 0.241 220 I C 1.687 177.879 176.117 0.125 0.000 1.070 220 I CA 4.077 65.367 61.300 -0.017 0.000 1.327 220 I CB -0.392 37.513 38.000 -0.158 0.000 1.034 220 I HN 0.070 8.216 8.210 -0.108 0.000 0.405 221 W N 0.067 121.262 121.300 -0.174 0.000 2.301 221 W HA -0.562 nan 4.660 nan 0.000 0.325 221 W C 2.069 178.553 176.519 -0.058 0.000 1.250 221 W CA 3.239 60.485 57.345 -0.165 0.000 1.261 221 W CB 0.231 29.438 29.460 -0.422 0.000 1.157 221 W HN -0.116 8.095 8.180 0.051 0.000 0.473 222 T N -5.497 108.991 114.554 -0.110 0.000 2.995 222 T HA -0.176 nan 4.350 nan 0.000 0.269 222 T C 1.097 175.711 174.700 -0.143 0.000 1.091 222 T CA 2.665 64.630 62.100 -0.225 0.000 1.128 222 T CB -0.006 68.792 68.868 -0.117 0.000 0.891 222 T HN -0.375 7.873 8.240 0.012 0.000 0.492 223 T N -5.101 109.412 114.554 -0.069 0.000 2.969 223 T HA 0.249 nan 4.350 nan 0.000 0.258 223 T C -0.234 174.467 174.700 0.002 0.000 0.962 223 T CA -0.516 61.560 62.100 -0.041 0.000 0.903 223 T CB 1.887 70.735 68.868 -0.033 0.000 1.177 223 T HN -0.225 7.991 8.240 -0.039 0.000 0.511 224 D N 4.414 124.845 120.400 0.051 0.000 2.325 224 D HA 0.379 nan 4.640 nan 0.000 0.251 224 D C -0.463 175.910 176.300 0.122 0.000 1.196 224 D CA -2.621 51.446 54.000 0.112 0.000 0.866 224 D CB 1.744 42.660 40.800 0.192 0.000 1.101 224 D HN 0.093 8.391 8.370 0.053 0.104 0.476 225 P HA -0.193 nan 4.420 nan 0.000 0.221 225 P C 1.531 178.859 177.300 0.046 0.000 1.141 225 P CA 1.850 64.974 63.100 0.041 0.000 0.794 225 P CB 0.135 31.847 31.700 0.021 0.000 0.764 226 I N -0.788 119.819 120.570 0.063 0.000 2.315 226 I HA -0.375 nan 4.170 nan 0.000 0.248 226 I C 0.755 176.873 176.117 0.003 0.000 1.117 226 I CA 3.259 64.530 61.300 -0.049 0.000 1.404 226 I CB 0.306 38.194 38.000 -0.186 0.000 1.071 226 I HN -0.276 8.257 8.210 0.120 -0.251 0.419 227 Y N -4.791 115.669 120.300 0.266 0.000 2.571 227 Y HA 0.150 nan 4.550 nan 0.000 0.275 227 Y C 0.229 176.098 175.900 -0.052 0.000 1.179 227 Y CA -0.643 57.624 58.100 0.279 0.000 1.242 227 Y CB -0.854 37.902 38.460 0.495 0.000 1.126 227 Y HN -0.102 8.363 8.280 0.324 0.010 0.524 228 S N 1.650 117.382 115.700 0.052 0.000 2.343 228 S HA -0.337 nan 4.470 nan 0.000 0.219 228 S C 2.349 176.893 174.600 -0.094 0.000 1.033 228 S CA 4.712 62.872 58.200 -0.067 0.000 1.014 228 S CB -0.347 62.833 63.200 -0.033 0.000 0.915 228 S HN -0.576 7.584 8.310 0.088 0.202 0.435 229 G N -1.064 107.709 108.800 -0.046 0.000 2.422 229 G HA2 -0.271 nan 3.960 nan 0.000 0.218 229 G HA3 -0.271 nan 3.960 nan 0.000 0.218 229 G C 0.138 174.988 174.900 -0.083 0.000 1.146 229 G CA 2.053 47.119 45.100 -0.057 0.000 0.769 229 G HN -0.330 8.139 8.290 -0.009 -0.185 0.547 230 A N 2.081 124.830 122.820 -0.119 0.000 1.858 230 A HA -0.281 nan 4.320 nan 0.000 0.216 230 A C 1.785 179.371 177.584 0.004 0.000 1.190 230 A CA 2.794 54.788 52.037 -0.071 0.000 0.617 230 A CB -0.743 18.255 19.000 -0.004 0.000 0.827 230 A HN -0.162 7.926 8.150 -0.081 0.013 0.443 231 R N -1.126 119.160 120.500 -0.357 0.000 2.127 231 R HA -0.385 nan 4.340 nan 0.000 0.238 231 R C 1.941 178.126 176.300 -0.191 0.000 1.134 231 R CA 3.260 59.010 56.100 -0.584 0.000 0.975 231 R CB -0.095 29.535 30.300 -1.117 0.000 0.865 231 R HN 0.011 8.023 8.270 -0.429 0.000 0.447 232 A N -1.770 120.961 122.820 -0.148 0.000 1.845 232 A HA -0.269 nan 4.320 nan 0.000 0.215 232 A C 1.992 179.557 177.584 -0.031 0.000 1.195 232 A CA 3.356 55.347 52.037 -0.077 0.000 0.616 232 A CB -1.007 17.956 19.000 -0.062 0.000 0.832 232 A HN -0.269 7.672 8.150 -0.170 0.108 0.443 233 T N 2.226 116.767 114.554 -0.022 0.000 2.635 233 T HA -0.408 nan 4.350 nan 0.000 0.267 233 T C 2.007 176.633 174.700 -0.123 0.000 1.040 233 T CA 4.614 66.697 62.100 -0.027 0.000 1.156 233 T CB -0.513 68.372 68.868 0.028 0.000 0.863 233 T HN -0.152 8.077 8.240 -0.018 0.000 0.430 234 V N 2.308 122.122 119.914 -0.166 0.000 2.282 234 V HA -0.519 nan 4.120 nan 0.000 0.249 234 V C 1.792 177.958 176.094 0.120 0.000 1.057 234 V CA 4.566 66.814 62.300 -0.087 0.000 1.032 234 V CB -0.858 31.061 31.823 0.161 0.000 0.645 234 V HN 0.517 8.647 8.190 -0.100 0.000 0.447 235 Q N -2.102 117.774 119.800 0.127 0.000 2.170 235 Q HA -0.413 nan 4.340 nan 0.000 0.203 235 Q C 2.345 178.365 176.000 0.033 0.000 0.976 235 Q CA 3.538 59.393 55.803 0.087 0.000 0.858 235 Q CB -0.301 28.434 28.738 -0.004 0.000 0.907 235 Q HN 0.036 8.355 8.270 0.083 0.000 0.433 236 E N 0.526 120.751 120.200 0.043 0.000 2.107 236 E HA -0.253 nan 4.350 nan 0.000 0.191 236 E C 2.282 178.935 176.600 0.088 0.000 0.982 236 E CA 2.686 59.128 56.400 0.070 0.000 0.809 236 E CB 0.028 29.804 29.700 0.127 0.000 0.756 236 E HN -0.633 7.637 8.360 0.036 0.112 0.459 237 I N -1.191 119.405 120.570 0.044 0.000 2.233 237 I HA -0.362 nan 4.170 nan 0.000 0.243 237 I C 2.235 178.372 176.117 0.034 0.000 1.093 237 I CA 3.381 64.649 61.300 -0.053 0.000 1.380 237 I CB 0.072 37.942 38.000 -0.217 0.000 1.067 237 I HN -0.027 8.108 8.210 0.019 0.087 0.413 238 W N 0.483 121.703 121.300 -0.133 0.000 2.348 238 W HA -0.373 nan 4.660 nan 0.000 0.324 238 W C 0.436 176.905 176.519 -0.083 0.000 1.209 238 W CA 2.837 60.114 57.345 -0.114 0.000 1.275 238 W CB -0.229 29.182 29.460 -0.082 0.000 1.175 238 W HN 0.015 8.323 8.180 0.212 0.000 0.461 239 Q N -4.514 115.262 119.800 -0.041 0.000 2.376 239 Q HA 0.054 nan 4.340 nan 0.000 0.206 239 Q C 2.445 178.400 176.000 -0.075 0.000 0.921 239 Q CA 0.689 56.382 55.803 -0.184 0.000 0.911 239 Q CB 0.497 29.003 28.738 -0.388 0.000 1.032 239 Q HN -0.233 7.915 8.270 -0.034 0.102 0.510 240 G N 0.361 109.146 108.800 -0.025 0.000 2.440 240 G HA2 -0.221 nan 3.960 nan 0.000 0.218 240 G HA3 -0.221 nan 3.960 nan 0.000 0.218 240 G C -0.904 173.989 174.900 -0.011 0.000 1.154 240 G CA 1.044 46.141 45.100 -0.005 0.000 0.767 240 G HN -0.055 8.132 8.290 0.001 0.103 0.552 241 V N -6.274 113.631 119.914 -0.016 0.000 3.156 241 V HA 0.387 nan 4.120 nan 0.000 0.311 241 V C -1.582 174.486 176.094 -0.044 0.000 1.208 241 V CA -1.716 60.557 62.300 -0.045 0.000 1.063 241 V CB 2.250 34.021 31.823 -0.085 0.000 1.098 241 V HN -0.825 7.360 8.190 -0.007 0.000 0.452 242 Q N -1.406 118.361 119.800 -0.055 0.000 2.126 242 Q HA 0.072 nan 4.340 nan 0.000 0.233 242 Q C -0.946 175.045 176.000 -0.016 0.000 0.788 242 Q CA -0.217 55.574 55.803 -0.020 0.000 0.968 242 Q CB 1.803 30.536 28.738 -0.008 0.000 1.163 242 Q HN 0.217 8.443 8.270 -0.072 0.000 0.471 243 D N 2.150 122.487 120.400 -0.105 0.000 2.349 243 D HA -0.100 nan 4.640 nan 0.000 0.266 243 D C 0.955 177.165 176.300 -0.151 0.000 1.293 243 D CA -0.044 53.848 54.000 -0.180 0.000 0.926 243 D CB -0.151 40.464 40.800 -0.308 0.000 1.090 243 D HN -0.250 8.038 8.370 -0.137 0.000 0.502 244 W N 5.089 126.341 121.300 -0.081 0.000 2.341 244 W HA -0.430 nan 4.660 nan 0.000 0.283 244 W C 0.418 176.956 176.519 0.032 0.000 1.215 244 W CA 2.119 59.427 57.345 -0.061 0.000 1.211 244 W CB -1.213 28.199 29.460 -0.081 0.000 1.131 244 W HN -0.192 8.056 8.180 0.114 0.000 0.552 245 N N 0.665 119.235 118.700 -0.216 0.000 2.300 245 N HA -0.178 nan 4.740 nan 0.000 0.179 245 N C 1.496 177.141 175.510 0.225 0.000 1.016 245 N CA 3.518 56.685 53.050 0.194 0.000 0.876 245 N CB -0.234 38.330 38.487 0.128 0.000 0.979 245 N HN -0.414 7.702 8.380 -0.697 -0.154 0.432 246 E N 1.777 121.773 120.200 -0.340 0.000 2.106 246 E HA -0.224 nan 4.350 nan 0.000 0.192 246 E C 2.297 178.671 176.600 -0.377 0.000 0.984 246 E CA 2.934 58.832 56.400 -0.837 0.000 0.806 246 E CB -0.005 28.842 29.700 -1.421 0.000 0.750 246 E HN -0.797 7.402 8.360 -0.405 -0.082 0.458 247 I N -0.393 120.035 120.570 -0.237 0.000 2.163 247 I HA -0.481 nan 4.170 nan 0.000 0.240 247 I C 1.886 177.920 176.117 -0.139 0.000 1.081 247 I CA 4.019 65.193 61.300 -0.211 0.000 1.353 247 I CB -0.140 37.771 38.000 -0.150 0.000 1.054 247 I HN -0.211 7.881 8.210 -0.196 0.000 0.407 248 L N -1.694 119.574 121.223 0.074 0.000 1.990 248 L HA -0.481 nan 4.340 nan 0.000 0.213 248 L C 2.087 179.106 176.870 0.249 0.000 1.072 248 L CA 3.220 58.235 54.840 0.292 0.000 0.755 248 L CB -0.437 41.987 42.059 0.608 0.000 0.889 248 L HN -0.566 7.747 8.230 0.138 0.000 0.432 249 W N -0.765 120.462 121.300 -0.122 0.000 2.352 249 W HA -0.536 nan 4.660 nan 0.000 0.322 249 W C 1.330 177.722 176.519 -0.211 0.000 1.208 249 W CA 3.376 60.503 57.345 -0.363 0.000 1.286 249 W CB 0.259 29.416 29.460 -0.504 0.000 1.167 249 W HN 0.290 8.614 8.180 0.241 0.000 0.469 250 A N -2.861 119.809 122.820 -0.249 0.000 1.917 250 A HA -0.430 nan 4.320 nan 0.000 0.219 250 A C 2.097 179.454 177.584 -0.378 0.000 1.182 250 A CA 3.171 54.926 52.037 -0.469 0.000 0.633 250 A CB -0.923 17.426 19.000 -1.085 0.000 0.819 250 A HN -0.091 7.999 8.150 -0.100 0.000 0.448 251 G N -3.024 105.567 108.800 -0.347 0.000 2.394 251 G HA2 -0.298 nan 3.960 nan 0.000 0.214 251 G HA3 -0.298 nan 3.960 nan 0.000 0.214 251 G C 1.376 176.109 174.900 -0.278 0.000 1.176 251 G CA 2.065 46.975 45.100 -0.318 0.000 0.786 251 G HN -0.001 8.087 8.290 -0.336 0.000 0.533 252 H N 1.417 120.424 119.070 -0.105 0.000 2.320 252 H HA 0.042 nan 4.556 nan 0.000 0.309 252 H C 2.305 177.456 175.328 -0.296 0.000 1.057 252 H CA 3.214 59.197 56.048 -0.108 0.000 1.374 252 H CB 0.503 30.233 29.762 -0.053 0.000 1.421 252 H HN -0.359 7.810 8.280 -0.186 0.000 0.532 253 A N -1.513 120.998 122.820 -0.514 0.000 2.015 253 A HA -0.206 nan 4.320 nan 0.000 0.219 253 A C 1.519 178.534 177.584 -0.949 0.000 1.163 253 A CA 2.959 54.216 52.037 -1.301 0.000 0.646 253 A CB -0.354 17.367 19.000 -2.132 0.000 0.806 253 A HN -0.096 7.794 8.150 -0.433 0.000 0.448 254 V N -1.858 117.685 119.914 -0.617 0.000 3.050 254 V HA -0.016 nan 4.120 nan 0.000 0.223 254 V C 0.808 176.752 176.094 -0.250 0.000 1.162 254 V CA 2.769 64.824 62.300 -0.408 0.000 1.247 254 V CB 0.237 31.904 31.823 -0.261 0.000 1.125 254 V HN -0.602 7.205 8.190 -0.583 0.033 0.508 255 Y N 0.581 120.749 120.300 -0.221 0.000 2.081 255 Y HA -0.599 nan 4.550 nan 0.000 0.280 255 Y C 1.557 177.484 175.900 0.045 0.000 1.163 255 Y CA 4.623 62.678 58.100 -0.075 0.000 1.135 255 Y CB 0.186 38.613 38.460 -0.055 0.000 0.970 255 Y HN 0.424 8.682 8.280 -0.037 0.000 0.498 256 D N -1.396 119.097 120.400 0.156 0.000 2.137 256 D HA -0.253 nan 4.640 nan 0.000 0.202 256 D C 1.932 178.364 176.300 0.220 0.000 0.970 256 D CA 2.876 56.995 54.000 0.197 0.000 0.837 256 D CB -0.173 40.840 40.800 0.354 0.000 0.981 256 D HN -0.154 8.335 8.370 0.198 0.000 0.475 257 A N -2.739 120.237 122.820 0.259 0.000 1.986 257 A HA -0.313 nan 4.320 nan 0.000 0.220 257 A C 0.795 178.383 177.584 0.008 0.000 1.171 257 A CA 2.932 55.170 52.037 0.334 0.000 0.640 257 A CB -0.401 18.787 19.000 0.314 0.000 0.811 257 A HN -0.300 7.938 8.150 0.147 0.000 0.451 258 T N -4.548 109.895 114.554 -0.184 0.000 3.401 258 T HA 0.139 nan 4.350 nan 0.000 0.225 258 T C 1.312 175.879 174.700 -0.221 0.000 0.961 258 T CA 0.990 62.896 62.100 -0.323 0.000 1.429 258 T CB 0.864 69.426 68.868 -0.510 0.000 1.213 258 T HN -0.445 7.661 8.240 -0.194 0.017 0.440 259 F N 3.650 123.378 119.950 -0.370 0.000 2.069 259 F HA -0.350 nan 4.527 nan 0.000 0.298 259 F C 1.377 177.023 175.800 -0.256 0.000 1.113 259 F CA 2.944 60.742 58.000 -0.337 0.000 1.214 259 F CB 0.072 38.754 39.000 -0.530 0.000 0.978 259 F HN -0.572 7.616 8.300 -0.188 0.000 0.474 260 G N -1.965 106.553 108.800 -0.470 0.000 2.459 260 G HA2 -0.506 nan 3.960 nan 0.000 0.217 260 G HA3 -0.506 nan 3.960 nan 0.000 0.217 260 G C 0.902 175.643 174.900 -0.265 0.000 1.183 260 G CA 2.304 47.201 45.100 -0.338 0.000 0.776 260 G HN -0.344 7.746 8.290 -0.333 0.000 0.552 261 Q N 2.620 122.290 119.800 -0.217 0.000 2.124 261 Q HA -0.272 nan 4.340 nan 0.000 0.202 261 Q C 2.214 178.101 176.000 -0.188 0.000 0.977 261 Q CA 2.548 58.191 55.803 -0.266 0.000 0.850 261 Q CB -0.326 28.205 28.738 -0.346 0.000 0.901 261 Q HN 0.141 8.308 8.270 -0.173 0.000 0.429 262 F N 0.628 120.408 119.950 -0.282 0.000 2.113 262 F HA -0.412 nan 4.527 nan 0.000 0.297 262 F C 0.953 176.669 175.800 -0.141 0.000 1.103 262 F CA 3.137 61.029 58.000 -0.180 0.000 1.248 262 F CB 0.072 38.970 39.000 -0.171 0.000 0.999 262 F HN 0.032 8.090 8.300 -0.091 0.188 0.475 263 A N -1.525 121.136 122.820 -0.265 0.000 1.902 263 A HA -0.379 nan 4.320 nan 0.000 0.217 263 A C 2.050 179.760 177.584 0.209 0.000 1.181 263 A CA 3.324 55.222 52.037 -0.231 0.000 0.623 263 A CB -0.715 17.855 19.000 -0.716 0.000 0.818 263 A HN 0.610 8.386 8.150 -0.444 0.108 0.443 264 R N -2.861 117.691 120.500 0.087 0.000 2.048 264 R HA -0.182 nan 4.340 nan 0.000 0.224 264 R C 2.093 178.454 176.300 0.101 0.000 1.163 264 R CA 3.594 59.813 56.100 0.199 0.000 0.956 264 R CB 0.067 30.431 30.300 0.107 0.000 0.849 264 R HN 0.100 8.326 8.270 -0.074 0.000 0.435 265 R N -0.458 120.015 120.500 -0.045 0.000 2.055 265 R HA -0.292 nan 4.340 nan 0.000 0.228 265 R C 2.390 178.608 176.300 -0.138 0.000 1.143 265 R CA 3.471 59.519 56.100 -0.087 0.000 0.945 265 R CB -0.070 30.150 30.300 -0.134 0.000 0.841 265 R HN -0.216 7.996 8.270 -0.096 0.000 0.429 266 E N -2.627 117.411 120.200 -0.269 0.000 2.204 266 E HA -0.283 nan 4.350 nan 0.000 0.194 266 E C 2.205 178.601 176.600 -0.340 0.000 0.989 266 E CA 2.374 58.527 56.400 -0.412 0.000 0.824 266 E CB -0.279 28.914 29.700 -0.846 0.000 0.756 266 E HN -0.681 7.499 8.360 -0.300 0.000 0.477 267 F N -0.065 119.674 119.950 -0.352 0.000 2.350 267 F HA -0.099 nan 4.527 nan 0.000 0.253 267 F C 1.049 176.740 175.800 -0.183 0.000 1.088 267 F CA 2.935 60.771 58.000 -0.273 0.000 1.037 267 F CB 0.934 39.777 39.000 -0.262 0.000 1.107 267 F HN -0.440 7.794 8.300 -0.110 0.000 0.603 268 F N -1.418 118.748 119.950 0.360 0.000 2.091 268 F HA -0.509 nan 4.527 nan 0.000 0.299 268 F C 2.583 178.441 175.800 0.096 0.000 1.103 268 F CA 4.467 62.639 58.000 0.286 0.000 1.228 268 F CB -0.280 38.808 39.000 0.147 0.000 0.984 268 F HN -0.203 8.287 8.300 0.316 0.000 0.477 269 Q N -1.484 118.415 119.800 0.165 0.000 2.046 269 Q HA -0.349 nan 4.340 nan 0.000 0.200 269 Q C 2.369 178.336 176.000 -0.056 0.000 0.975 269 Q CA 3.133 58.966 55.803 0.051 0.000 0.836 269 Q CB 0.146 28.900 28.738 0.026 0.000 0.896 269 Q HN 0.200 8.585 8.270 0.192 0.000 0.428 270 R N -0.301 120.129 120.500 -0.116 0.000 2.070 270 R HA -0.239 nan 4.340 nan 0.000 0.232 270 R C 3.000 179.126 176.300 -0.290 0.000 1.138 270 R CA 2.545 58.535 56.100 -0.185 0.000 0.936 270 R CB -0.261 29.924 30.300 -0.193 0.000 0.839 270 R HN -0.382 7.828 8.270 -0.099 0.000 0.429 271 L N -2.996 117.990 121.223 -0.395 0.000 2.456 271 L HA -0.179 nan 4.340 nan 0.000 0.224 271 L C 1.177 177.576 176.870 -0.786 0.000 1.148 271 L CA 2.019 56.484 54.840 -0.626 0.000 0.825 271 L CB -0.894 40.764 42.059 -0.670 0.000 0.937 271 L HN 0.169 8.179 8.230 -0.367 0.000 0.450 272 A N -1.583 120.945 122.820 -0.486 0.000 1.968 272 A HA -0.132 nan 4.320 nan 0.000 0.217 272 A C 0.627 178.038 177.584 -0.288 0.000 1.169 272 A CA 3.002 54.818 52.037 -0.369 0.000 0.638 272 A CB -0.378 18.628 19.000 0.010 0.000 0.812 272 A HN -0.579 7.237 8.150 -0.282 0.165 0.446 273 T N -6.534 107.870 114.554 -0.250 0.000 3.324 273 T HA 0.136 nan 4.350 nan 0.000 0.250 273 T C 0.184 174.725 174.700 -0.265 0.000 1.059 273 T CA 0.952 62.938 62.100 -0.191 0.000 0.951 273 T CB -0.808 67.983 68.868 -0.129 0.000 1.030 273 T HN -0.400 7.576 8.240 -0.250 0.114 0.576 274 V N -1.462 118.197 119.914 -0.425 0.000 3.294 274 V HA 0.310 nan 4.120 nan 0.000 0.255 274 V C -0.390 175.358 176.094 -0.577 0.000 1.528 274 V CA 1.433 63.422 62.300 -0.518 0.000 1.086 274 V CB 1.880 33.303 31.823 -0.666 0.000 0.906 274 V HN -0.476 7.215 8.190 -0.508 0.194 0.433 275 Y N -0.584 119.482 120.300 -0.391 0.000 2.583 275 Y HA 0.133 nan 4.550 nan 0.000 0.294 275 Y C -0.154 175.631 175.900 -0.191 0.000 1.170 275 Y CA -2.128 55.779 58.100 -0.323 0.000 1.265 275 Y CB -0.105 38.019 38.460 -0.560 0.000 1.119 275 Y HN -0.517 7.365 8.280 -0.663 0.000 0.522 276 G N -0.297 108.462 108.800 -0.069 0.000 2.323 276 G HA2 -0.547 nan 3.960 nan 0.000 0.292 276 G HA3 -0.547 nan 3.960 nan 0.000 0.292 276 G C -0.587 174.348 174.900 0.059 0.000 1.040 276 G CA 0.352 45.453 45.100 0.001 0.000 0.942 276 G HN 0.049 8.151 8.290 -0.151 0.097 0.506 277 D N 0.130 120.549 120.400 0.031 0.000 2.443 277 D HA 0.125 nan 4.640 nan 0.000 0.221 277 D C 0.337 176.742 176.300 0.175 0.000 1.097 277 D CA -1.300 52.793 54.000 0.154 0.000 0.865 277 D CB 0.458 41.386 40.800 0.213 0.000 1.034 277 D HN -0.122 8.203 8.370 -0.074 0.000 0.511 278 T N 1.149 115.850 114.554 0.244 0.000 3.169 278 T HA 0.039 nan 4.350 nan 0.000 0.250 278 T C 0.209 175.157 174.700 0.413 0.000 1.111 278 T CA 0.119 62.398 62.100 0.298 0.000 1.010 278 T CB -0.219 68.832 68.868 0.306 0.000 0.984 278 T HN 0.315 8.714 8.240 0.264 0.000 0.537 279 L N 0.958 122.389 121.223 0.348 0.000 2.269 279 L HA 0.181 nan 4.340 nan 0.000 0.200 279 L C 1.530 178.628 176.870 0.379 0.000 1.069 279 L CA 2.393 57.396 54.840 0.271 0.000 0.804 279 L CB 0.783 42.913 42.059 0.119 0.000 0.987 279 L HN 0.087 8.729 8.230 0.326 -0.216 0.468 280 T N 2.228 116.975 114.554 0.321 0.000 2.720 280 T HA -0.076 nan 4.350 nan 0.000 0.268 280 T C -1.132 173.720 174.700 0.254 0.000 1.037 280 T CA 6.424 68.697 62.100 0.289 0.000 1.144 280 T CB -2.680 66.273 68.868 0.143 0.000 0.864 280 T HN -0.221 8.652 8.240 0.297 -0.455 0.444 281 P HA -0.168 nan 4.420 nan 0.000 0.221 281 P C 0.904 178.206 177.300 0.004 0.000 1.145 281 P CA 2.474 65.622 63.100 0.080 0.000 0.795 281 P CB -0.668 31.067 31.700 0.059 0.000 0.775 282 F N -0.743 119.139 119.950 -0.113 0.000 2.102 282 F HA -0.371 nan 4.527 nan 0.000 0.298 282 F C 1.271 176.810 175.800 -0.435 0.000 1.105 282 F CA 3.944 61.683 58.000 -0.435 0.000 1.239 282 F CB 0.084 38.569 39.000 -0.859 0.000 0.991 282 F HN -0.575 7.845 8.300 0.245 0.027 0.474 283 F N -3.249 116.641 119.950 -0.100 0.000 2.128 283 F HA -0.361 nan 4.527 nan 0.000 0.295 283 F C 1.889 177.605 175.800 -0.139 0.000 1.100 283 F CA 3.778 61.719 58.000 -0.098 0.000 1.260 283 F CB -0.143 38.920 39.000 0.106 0.000 1.009 283 F HN -0.669 7.767 8.300 0.367 0.085 0.476 284 T N -2.247 112.377 114.554 0.117 0.000 2.929 284 T HA -0.363 nan 4.350 nan 0.000 0.271 284 T C 1.770 176.407 174.700 -0.106 0.000 1.085 284 T CA 3.408 65.532 62.100 0.041 0.000 1.125 284 T CB -1.064 67.848 68.868 0.074 0.000 0.874 284 T HN 0.151 8.505 8.240 0.190 0.000 0.494 285 A N 1.766 124.457 122.820 -0.214 0.000 1.940 285 A HA -0.350 nan 4.320 nan 0.000 0.219 285 A C 2.125 179.497 177.584 -0.353 0.000 1.176 285 A CA 3.235 55.104 52.037 -0.281 0.000 0.631 285 A CB -1.000 17.765 19.000 -0.391 0.000 0.814 285 A HN 0.035 8.015 8.150 -0.234 0.030 0.446 286 Q N -1.665 117.847 119.800 -0.480 0.000 2.049 286 Q HA -0.326 nan 4.340 nan 0.000 0.198 286 Q C 2.553 177.992 176.000 -0.936 0.000 0.971 286 Q CA 3.196 58.528 55.803 -0.784 0.000 0.833 286 Q CB 0.036 28.320 28.738 -0.758 0.000 0.896 286 Q HN -0.169 7.717 8.270 -0.453 0.112 0.434 287 S N 0.183 115.625 115.700 -0.430 0.000 2.368 287 S HA -0.374 nan 4.470 nan 0.000 0.225 287 S C 2.440 177.036 174.600 -0.007 0.000 1.030 287 S CA 3.626 61.751 58.200 -0.126 0.000 0.999 287 S CB -0.471 62.759 63.200 0.050 0.000 0.844 287 S HN -0.491 7.649 8.310 -0.283 0.000 0.459 288 Q N 0.359 120.126 119.800 -0.056 0.000 2.119 288 Q HA -0.172 nan 4.340 nan 0.000 0.201 288 Q C 2.732 178.771 176.000 0.065 0.000 0.972 288 Q CA 2.488 58.296 55.803 0.008 0.000 0.847 288 Q CB -0.773 27.937 28.738 -0.046 0.000 0.903 288 Q HN 0.323 8.416 8.270 -0.110 0.111 0.433 289 T N 4.233 118.762 114.554 -0.041 0.000 2.701 289 T HA -0.212 nan 4.350 nan 0.000 0.263 289 T C 2.139 176.960 174.700 0.202 0.000 1.040 289 T CA 4.925 67.042 62.100 0.029 0.000 1.147 289 T CB -0.426 68.402 68.868 -0.066 0.000 0.865 289 T HN -0.190 7.948 8.240 -0.170 0.000 0.426 290 Y N 0.704 121.054 120.300 0.084 0.000 2.151 290 Y HA -0.370 nan 4.550 nan 0.000 0.284 290 Y C 1.751 177.746 175.900 0.159 0.000 1.166 290 Y CA 0.345 58.505 58.100 0.100 0.000 1.163 290 Y CB -1.507 37.010 38.460 0.095 0.000 0.974 290 Y HN 0.217 8.452 8.280 -0.075 0.000 0.511 291 F N 0.473 120.564 119.950 0.236 0.000 2.046 291 F HA -0.537 nan 4.527 nan 0.000 0.297 291 F C 1.623 177.524 175.800 0.169 0.000 1.123 291 F CA 3.990 62.108 58.000 0.196 0.000 1.199 291 F CB 0.185 39.279 39.000 0.157 0.000 0.972 291 F HN 0.043 8.611 8.300 0.458 0.006 0.474 292 Q N -3.176 116.909 119.800 0.474 0.000 2.248 292 Q HA -0.397 nan 4.340 nan 0.000 0.208 292 Q C 2.960 179.047 176.000 0.145 0.000 0.984 292 Q CA 2.952 58.941 55.803 0.311 0.000 0.875 292 Q CB -0.788 28.093 28.738 0.240 0.000 0.910 292 Q HN -0.294 8.266 8.270 0.484 0.000 0.433 293 T N 2.749 117.382 114.554 0.131 0.000 2.812 293 T HA -0.143 nan 4.350 nan 0.000 0.264 293 T C 2.118 176.847 174.700 0.049 0.000 1.042 293 T CA 4.596 66.748 62.100 0.086 0.000 1.140 293 T CB -0.348 68.580 68.868 0.101 0.000 0.870 293 T HN -0.212 8.022 8.240 0.182 0.115 0.445 294 T N 4.970 119.527 114.554 0.004 0.000 2.867 294 T HA -0.243 nan 4.350 nan 0.000 0.268 294 T C 1.453 176.109 174.700 -0.074 0.000 1.057 294 T CA 4.293 66.350 62.100 -0.073 0.000 1.136 294 T CB -0.774 67.982 68.868 -0.186 0.000 0.874 294 T HN -0.275 7.981 8.240 0.027 0.000 0.466 295 R N 1.692 122.135 120.500 -0.095 0.000 2.083 295 R HA -0.406 nan 4.340 nan 0.000 0.237 295 R C 1.884 178.234 176.300 0.083 0.000 1.137 295 R CA 3.757 59.853 56.100 -0.007 0.000 0.951 295 R CB -0.268 30.052 30.300 0.033 0.000 0.851 295 R HN 0.045 8.139 8.270 -0.126 0.101 0.434 296 G N -3.308 105.538 108.800 0.076 0.000 2.422 296 G HA2 -0.268 nan 3.960 nan 0.000 0.218 296 G HA3 -0.268 nan 3.960 nan 0.000 0.218 296 G C 0.645 175.629 174.900 0.139 0.000 1.146 296 G CA 1.719 46.875 45.100 0.093 0.000 0.769 296 G HN -0.529 7.798 8.290 0.061 0.000 0.547 297 A N 2.102 125.008 122.820 0.144 0.000 1.854 297 A HA -0.143 nan 4.320 nan 0.000 0.214 297 A C 1.933 179.670 177.584 0.256 0.000 1.192 297 A CA 2.844 55.023 52.037 0.238 0.000 0.611 297 A CB -0.513 18.600 19.000 0.189 0.000 0.832 297 A HN -0.748 7.359 8.150 0.100 0.102 0.442 298 I N -1.605 119.082 120.570 0.194 0.000 2.208 298 I HA -0.551 nan 4.170 nan 0.000 0.245 298 I C 1.900 178.287 176.117 0.450 0.000 1.097 298 I CA 2.533 64.022 61.300 0.316 0.000 1.363 298 I CB -1.765 36.428 38.000 0.322 0.000 1.051 298 I HN 0.496 8.784 8.210 0.129 0.000 0.413 299 D N -0.377 120.231 120.400 0.346 0.000 2.117 299 D HA -0.347 nan 4.640 nan 0.000 0.197 299 D C 2.322 178.811 176.300 0.315 0.000 0.987 299 D CA 4.214 58.401 54.000 0.311 0.000 0.829 299 D CB -0.011 40.874 40.800 0.142 0.000 0.961 299 D HN 0.168 8.581 8.370 0.262 0.115 0.460 300 D N 0.596 121.166 120.400 0.283 0.000 2.097 300 D HA -0.263 nan 4.640 nan 0.000 0.195 300 D C 1.946 178.453 176.300 0.344 0.000 0.989 300 D CA 3.111 57.293 54.000 0.303 0.000 0.827 300 D CB 0.217 41.173 40.800 0.260 0.000 0.966 300 D HN -0.590 7.938 8.370 0.263 0.000 0.456 301 L N -0.453 120.896 121.223 0.210 0.000 1.994 301 L HA -0.329 nan 4.340 nan 0.000 0.208 301 L C 1.624 178.428 176.870 -0.109 0.000 1.071 301 L CA 3.431 58.205 54.840 -0.109 0.000 0.745 301 L CB -0.287 41.406 42.059 -0.610 0.000 0.892 301 L HN -0.192 8.171 8.230 0.221 0.000 0.431 302 F N -3.369 116.756 119.950 0.290 0.000 2.219 302 F HA -0.179 nan 4.527 nan 0.000 0.294 302 F C 2.159 178.090 175.800 0.218 0.000 1.086 302 F CA 4.725 62.893 58.000 0.281 0.000 1.330 302 F CB -0.638 38.647 39.000 0.475 0.000 1.047 302 F HN 0.034 8.496 8.300 0.269 0.000 0.495 303 V N -0.317 119.852 119.914 0.425 0.000 2.331 303 V HA -0.368 nan 4.120 nan 0.000 0.242 303 V C 0.897 177.118 176.094 0.212 0.000 1.034 303 V CA 4.123 66.596 62.300 0.288 0.000 1.027 303 V CB -0.622 31.360 31.823 0.265 0.000 0.667 303 V HN 0.117 8.474 8.190 0.464 0.112 0.457 304 Y N -0.931 119.450 120.300 0.136 0.000 2.130 304 Y HA -0.367 nan 4.550 nan 0.000 0.287 304 Y C 1.443 177.384 175.900 0.068 0.000 1.124 304 Y CA 3.650 61.806 58.100 0.094 0.000 1.118 304 Y CB 0.478 38.999 38.460 0.101 0.000 0.994 304 Y HN -0.708 7.808 8.280 0.393 0.000 0.497 305 C N -2.065 117.394 119.300 0.265 0.000 2.489 305 C HA -0.202 nan 4.460 nan 0.000 0.279 305 C C 1.821 176.809 174.990 -0.004 0.000 1.266 305 C CA 3.291 62.387 59.018 0.130 0.000 1.707 305 C CB -0.369 27.495 27.740 0.206 0.000 2.059 305 C HN 0.020 8.492 8.230 0.402 0.000 0.481 306 L N -0.936 120.308 121.223 0.035 0.000 2.115 306 L HA -0.144 nan 4.340 nan 0.000 0.200 306 L C 2.489 179.384 176.870 0.041 0.000 1.094 306 L CA 2.541 57.397 54.840 0.027 0.000 0.769 306 L CB -0.288 41.826 42.059 0.092 0.000 0.931 306 L HN 0.028 8.310 8.230 0.086 0.000 0.455 307 A N -1.638 121.226 122.820 0.073 0.000 2.139 307 A HA -0.368 nan 4.320 nan 0.000 0.221 307 A C 0.564 178.152 177.584 0.008 0.000 1.159 307 A CA 2.920 54.976 52.037 0.033 0.000 0.662 307 A CB -0.618 18.412 19.000 0.050 0.000 0.796 307 A HN 0.669 8.788 8.150 0.137 0.113 0.463 308 N N -6.098 112.590 118.700 -0.019 0.000 2.351 308 N HA 0.044 nan 4.740 nan 0.000 0.254 308 N C -1.596 173.849 175.510 -0.107 0.000 1.241 308 N CA -0.559 52.449 53.050 -0.070 0.000 0.883 308 N CB 1.208 39.629 38.487 -0.110 0.000 1.202 308 N HN -0.468 7.844 8.380 -0.014 0.060 0.512 309 D N 0.998 121.360 120.400 -0.064 0.000 2.401 309 D HA -0.004 nan 4.640 nan 0.000 0.254 309 D C 1.189 177.447 176.300 -0.070 0.000 1.192 309 D CA 0.980 54.943 54.000 -0.062 0.000 0.885 309 D CB 1.589 42.391 40.800 0.004 0.000 1.147 309 D HN -0.578 7.688 8.370 -0.025 0.089 0.478 310 S N 7.406 123.048 115.700 -0.098 0.000 2.380 310 S HA -0.332 nan 4.470 nan 0.000 0.229 310 S C 1.152 175.654 174.600 -0.163 0.000 1.043 310 S CA 2.990 61.123 58.200 -0.111 0.000 1.038 310 S CB 0.001 63.141 63.200 -0.101 0.000 0.872 310 S HN 0.476 8.724 8.310 -0.102 0.000 0.456 311 E N -0.640 119.415 120.200 -0.242 0.000 2.216 311 E HA 0.031 nan 4.350 nan 0.000 0.192 311 E C 0.702 176.871 176.600 -0.719 0.000 0.973 311 E CA 1.220 57.295 56.400 -0.542 0.000 0.851 311 E CB 0.776 30.000 29.700 -0.792 0.000 0.804 311 E HN -0.582 7.812 8.360 -0.171 -0.137 0.477 312 F N -2.149 117.759 119.950 -0.071 0.000 2.698 312 F HA 0.332 nan 4.527 nan 0.000 0.304 312 F C 0.496 176.311 175.800 0.026 0.000 1.108 312 F CA -0.966 57.013 58.000 -0.036 0.000 1.263 312 F CB 0.825 39.753 39.000 -0.119 0.000 1.013 312 F HN -0.687 7.816 8.300 -0.019 -0.214 0.532 313 G N 1.951 110.807 108.800 0.093 0.000 2.514 313 G HA2 -0.440 nan 3.960 nan 0.000 0.217 313 G HA3 -0.440 nan 3.960 nan 0.000 0.217 313 G C 0.279 175.216 174.900 0.062 0.000 1.198 313 G CA 2.746 47.879 45.100 0.056 0.000 0.780 313 G HN 0.209 8.506 8.290 0.012 0.000 0.565 314 A N 0.969 123.818 122.820 0.048 0.000 1.978 314 A HA -0.331 nan 4.320 nan 0.000 0.220 314 A C 1.434 179.042 177.584 0.040 0.000 1.170 314 A CA 3.017 55.069 52.037 0.025 0.000 0.636 314 A CB -1.223 17.784 19.000 0.012 0.000 0.810 314 A HN 0.268 8.437 8.150 0.031 0.000 0.448 315 H N -0.699 118.399 119.070 0.046 0.000 2.299 315 H HA -0.250 nan 4.556 nan 0.000 0.302 315 H C 1.877 177.255 175.328 0.084 0.000 1.078 315 H CA 3.615 59.719 56.048 0.093 0.000 1.323 315 H CB 0.063 29.979 29.762 0.257 0.000 1.381 315 H HN -0.246 8.085 8.280 0.261 0.105 0.498 316 N N -0.741 118.082 118.700 0.206 0.000 2.244 316 N HA -0.234 nan 4.740 nan 0.000 0.183 316 N C 2.511 177.937 175.510 -0.140 0.000 1.016 316 N CA 2.783 55.877 53.050 0.074 0.000 0.866 316 N CB -0.417 38.132 38.487 0.104 0.000 0.980 316 N HN 0.188 8.759 8.380 0.319 0.000 0.430 317 R N -0.248 120.183 120.500 -0.115 0.000 2.148 317 R HA -0.214 nan 4.340 nan 0.000 0.227 317 R C 2.107 178.266 176.300 -0.234 0.000 1.103 317 R CA 3.916 59.915 56.100 -0.169 0.000 0.983 317 R CB -0.356 29.893 30.300 -0.084 0.000 0.874 317 R HN 0.367 8.600 8.270 -0.036 0.015 0.451 318 T N 2.936 117.319 114.554 -0.285 0.000 2.708 318 T HA -0.225 nan 4.350 nan 0.000 0.266 318 T C 2.160 176.537 174.700 -0.538 0.000 1.037 318 T CA 4.834 66.694 62.100 -0.400 0.000 1.146 318 T CB -0.667 67.878 68.868 -0.538 0.000 0.865 318 T HN -0.505 7.462 8.240 -0.248 0.124 0.435 319 F N 0.556 120.172 119.950 -0.557 0.000 2.259 319 F HA -0.174 nan 4.527 nan 0.000 0.298 319 F C 1.451 176.458 175.800 -1.322 0.000 1.088 319 F CA 3.430 60.876 58.000 -0.925 0.000 1.358 319 F CB -0.408 37.966 39.000 -1.042 0.000 1.040 319 F HN -0.807 7.215 8.300 -0.464 0.000 0.505 320 L N -0.490 120.235 121.223 -0.830 0.000 2.017 320 L HA -0.562 nan 4.340 nan 0.000 0.208 320 L C 2.060 178.678 176.870 -0.419 0.000 1.073 320 L CA 3.727 58.065 54.840 -0.837 0.000 0.745 320 L CB -0.601 40.980 42.059 -0.797 0.000 0.894 320 L HN 0.495 8.280 8.230 -0.612 0.077 0.432 321 N N -1.339 117.238 118.700 -0.204 0.000 2.309 321 N HA -0.289 nan 4.740 nan 0.000 0.182 321 N C 1.981 177.586 175.510 0.158 0.000 1.018 321 N CA 3.509 56.622 53.050 0.105 0.000 0.876 321 N CB 0.066 38.653 38.487 0.165 0.000 0.972 321 N HN 0.232 8.347 8.380 -0.263 0.107 0.434 322 A N 1.674 124.492 122.820 -0.002 0.000 1.841 322 A HA -0.171 nan 4.320 nan 0.000 0.214 322 A C 1.845 179.633 177.584 0.341 0.000 1.195 322 A CA 3.206 55.311 52.037 0.113 0.000 0.611 322 A CB -0.802 18.203 19.000 0.008 0.000 0.835 322 A HN -0.351 7.566 8.150 -0.190 0.120 0.443 323 W N -3.119 118.300 121.300 0.198 0.000 2.338 323 W HA -0.269 nan 4.660 nan 0.000 0.304 323 W C 2.586 179.368 176.519 0.438 0.000 1.212 323 W CA 1.037 58.606 57.345 0.374 0.000 1.264 323 W CB -1.484 28.193 29.460 0.362 0.000 1.142 323 W HN 0.514 8.601 8.180 0.024 0.107 0.512 324 T N 1.875 116.724 114.554 0.492 0.000 2.684 324 T HA -0.428 nan 4.350 nan 0.000 0.267 324 T C 2.098 176.862 174.700 0.107 0.000 1.036 324 T CA 5.355 67.606 62.100 0.251 0.000 1.148 324 T CB -0.597 68.150 68.868 -0.201 0.000 0.863 324 T HN 0.338 8.665 8.240 0.330 0.112 0.436 325 E N 0.976 121.340 120.200 0.273 0.000 2.077 325 E HA -0.302 nan 4.350 nan 0.000 0.193 325 E C 2.024 178.784 176.600 0.267 0.000 0.989 325 E CA 2.869 59.528 56.400 0.432 0.000 0.800 325 E CB -0.163 29.818 29.700 0.468 0.000 0.746 325 E HN -0.367 8.188 8.360 0.326 0.000 0.452 326 H N 1.404 120.553 119.070 0.132 0.000 2.256 326 H HA -0.277 nan 4.556 nan 0.000 0.299 326 H C 2.563 177.813 175.328 -0.129 0.000 1.071 326 H CA 3.662 59.670 56.048 -0.066 0.000 1.280 326 H CB 0.152 29.761 29.762 -0.255 0.000 1.370 326 H HN -0.331 8.163 8.280 0.356 0.000 0.490 327 Y N -2.346 117.900 120.300 -0.089 0.000 2.352 327 Y HA -0.287 nan 4.550 nan 0.000 0.292 327 Y C 2.270 178.108 175.900 -0.102 0.000 1.136 327 Y CA 3.542 61.547 58.100 -0.158 0.000 1.227 327 Y CB -0.453 38.016 38.460 0.015 0.000 0.991 327 Y HN 0.293 8.655 8.280 0.136 0.000 0.545 328 L N -0.177 121.085 121.223 0.066 0.000 2.072 328 L HA -0.372 nan 4.340 nan 0.000 0.205 328 L C 1.439 178.319 176.870 0.017 0.000 1.079 328 L CA 2.430 57.263 54.840 -0.013 0.000 0.752 328 L CB -0.608 41.449 42.059 -0.003 0.000 0.906 328 L HN 0.183 8.461 8.230 0.114 0.020 0.436 329 A N -1.517 121.317 122.820 0.023 0.000 1.892 329 A HA -0.459 nan 4.320 nan 0.000 0.218 329 A C 2.019 179.587 177.584 -0.028 0.000 1.188 329 A CA 3.490 55.533 52.037 0.010 0.000 0.631 329 A CB -1.287 17.717 19.000 0.007 0.000 0.822 329 A HN -0.436 7.740 8.150 0.042 0.000 0.447 330 S N -1.468 114.174 115.700 -0.096 0.000 2.359 330 S HA -0.397 nan 4.470 nan 0.000 0.224 330 S C 2.412 177.019 174.600 0.012 0.000 1.035 330 S CA 4.113 62.273 58.200 -0.067 0.000 1.018 330 S CB -0.476 62.661 63.200 -0.105 0.000 0.876 330 S HN -0.415 7.719 8.310 -0.181 0.068 0.448 331 S N 1.657 117.382 115.700 0.042 0.000 2.428 331 S HA -0.166 nan 4.470 nan 0.000 0.230 331 S C 2.009 176.641 174.600 0.053 0.000 1.014 331 S CA 3.135 61.361 58.200 0.043 0.000 0.957 331 S CB -0.479 62.728 63.200 0.011 0.000 0.784 331 S HN -0.284 7.971 8.310 0.035 0.076 0.499 332 V N 3.324 123.281 119.914 0.072 0.000 2.343 332 V HA -0.417 nan 4.120 nan 0.000 0.247 332 V C 1.818 177.953 176.094 0.069 0.000 1.051 332 V CA 4.473 66.838 62.300 0.108 0.000 1.036 332 V CB -1.593 30.269 31.823 0.066 0.000 0.654 332 V HN 0.412 8.548 8.190 0.052 0.085 0.451 333 A N -1.641 121.202 122.820 0.038 0.000 1.877 333 A HA -0.354 nan 4.320 nan 0.000 0.216 333 A C 1.651 179.252 177.584 0.030 0.000 1.186 333 A CA 3.357 55.409 52.037 0.026 0.000 0.620 333 A CB -0.893 18.112 19.000 0.008 0.000 0.822 333 A HN -0.224 7.944 8.150 0.029 -0.000 0.443 334 A N -0.925 121.898 122.820 0.005 0.000 1.873 334 A HA -0.360 nan 4.320 nan 0.000 0.218 334 A C 2.179 179.813 177.584 0.083 0.000 1.193 334 A CA 3.051 55.052 52.037 -0.061 0.000 0.629 334 A CB -0.908 17.943 19.000 -0.249 0.000 0.826 334 A HN -0.271 7.814 8.150 0.005 0.069 0.447 335 L N -2.175 119.140 121.223 0.154 0.000 2.017 335 L HA -0.488 nan 4.340 nan 0.000 0.208 335 L C 2.099 179.074 176.870 0.175 0.000 1.073 335 L CA 2.993 57.962 54.840 0.214 0.000 0.745 335 L CB -0.449 41.664 42.059 0.090 0.000 0.894 335 L HN 0.350 8.538 8.230 0.106 0.107 0.432 336 K N -0.358 120.107 120.400 0.110 0.000 2.113 336 K HA -0.368 nan 4.320 nan 0.000 0.208 336 K C 1.779 178.432 176.600 0.089 0.000 1.047 336 K CA 3.203 59.542 56.287 0.087 0.000 0.928 336 K CB -0.268 32.264 32.500 0.055 0.000 0.716 336 K HN -0.100 8.135 8.250 0.092 0.070 0.446 337 D N -1.591 118.864 120.400 0.093 0.000 2.123 337 D HA -0.152 nan 4.640 nan 0.000 0.200 337 D C 2.089 178.432 176.300 0.071 0.000 0.976 337 D CA 3.077 57.117 54.000 0.066 0.000 0.831 337 D CB -0.099 40.737 40.800 0.060 0.000 0.974 337 D HN -0.293 8.035 8.370 0.095 0.099 0.469 338 F N 1.615 121.573 119.950 0.014 0.000 2.126 338 F HA -0.314 nan 4.527 nan 0.000 0.299 338 F C 1.597 177.382 175.800 -0.024 0.000 1.096 338 F CA 3.356 61.342 58.000 -0.023 0.000 1.255 338 F CB 0.571 39.667 39.000 0.160 0.000 0.997 338 F HN -0.155 8.258 8.300 0.323 0.080 0.479 339 V N -6.502 113.501 119.914 0.149 0.000 3.330 339 V HA -0.179 nan 4.120 nan 0.000 0.273 339 V C 1.180 177.348 176.094 0.123 0.000 1.179 339 V CA 0.886 63.353 62.300 0.279 0.000 1.174 339 V CB -2.646 29.393 31.823 0.360 0.000 0.794 339 V HN 0.197 8.518 8.190 0.217 0.000 0.527 340 G N -0.496 108.248 108.800 -0.093 0.000 2.623 340 G HA2 -0.090 nan 3.960 nan 0.000 0.214 340 G HA3 -0.090 nan 3.960 nan 0.000 0.214 340 G C 0.819 175.575 174.900 -0.241 0.000 1.138 340 G CA 1.085 46.104 45.100 -0.135 0.000 0.794 340 G HN -0.328 7.690 8.290 -0.138 0.189 0.535 341 L N 1.545 122.481 121.223 -0.478 0.000 2.141 341 L HA -0.219 nan 4.340 nan 0.000 0.209 341 L C 1.364 178.047 176.870 -0.312 0.000 1.094 341 L CA 2.069 56.518 54.840 -0.651 0.000 0.763 341 L CB -0.396 40.888 42.059 -1.292 0.000 0.908 341 L HN 0.052 7.779 8.230 -0.605 0.140 0.437 342 Y N -2.115 118.135 120.300 -0.085 0.000 2.241 342 Y HA -0.485 nan 4.550 nan 0.000 0.286 342 Y C 1.530 177.419 175.900 -0.018 0.000 1.166 342 Y CA 4.006 62.169 58.100 0.105 0.000 1.203 342 Y CB -1.232 37.336 38.460 0.180 0.000 0.977 342 Y HN -0.535 7.687 8.280 -0.062 0.020 0.529 343 A N -2.100 120.718 122.820 -0.002 0.000 2.084 343 A HA -0.232 nan 4.320 nan 0.000 0.221 343 A C 0.848 178.430 177.584 -0.004 0.000 1.161 343 A CA 2.488 54.493 52.037 -0.054 0.000 0.653 343 A CB -0.854 18.085 19.000 -0.100 0.000 0.802 343 A HN -0.393 7.711 8.150 -0.049 0.017 0.457 344 K N -4.313 116.091 120.400 0.008 0.000 2.404 344 K HA 0.133 nan 4.320 nan 0.000 0.194 344 K C -1.088 175.620 176.600 0.180 0.000 1.023 344 K CA -0.357 55.980 56.287 0.084 0.000 1.094 344 K CB 0.372 32.902 32.500 0.049 0.000 0.841 344 K HN -0.063 7.993 8.250 -0.037 0.172 0.523 345 V N -5.472 114.533 119.914 0.152 0.000 2.994 345 V HA 0.321 nan 4.120 nan 0.000 0.318 345 V C -1.152 175.001 176.094 0.099 0.000 1.085 345 V CA -2.966 59.432 62.300 0.164 0.000 0.998 345 V CB 1.514 33.499 31.823 0.270 0.000 1.063 345 V HN -0.275 7.838 8.190 0.141 0.162 0.447 346 E N 0.415 120.666 120.200 0.085 0.000 2.344 346 E HA -0.075 nan 4.350 nan 0.000 0.270 346 E C -0.295 176.420 176.600 0.193 0.000 1.021 346 E CA -0.181 56.284 56.400 0.107 0.000 0.887 346 E CB 0.626 30.419 29.700 0.156 0.000 0.997 346 E HN 0.140 8.517 8.360 0.028 0.000 0.429 347 K N 5.110 125.584 120.400 0.123 0.000 2.095 347 K HA -0.049 nan 4.320 nan 0.000 0.258 347 K C -0.756 175.893 176.600 0.083 0.000 1.120 347 K CA 0.103 56.463 56.287 0.121 0.000 1.026 347 K CB -0.498 32.058 32.500 0.093 0.000 1.256 347 K HN 0.259 8.557 8.250 0.081 0.000 0.360 348 V N 5.038 124.993 119.914 0.069 0.000 2.470 348 V HA -0.105 nan 4.120 nan 0.000 0.276 348 V C -0.329 175.761 176.094 -0.006 0.000 1.040 348 V CA -0.299 61.997 62.300 -0.007 0.000 1.008 348 V CB 0.327 32.081 31.823 -0.114 0.000 0.990 348 V HN 0.367 8.594 8.190 0.115 0.032 0.477 349 A N 8.512 131.327 122.820 -0.009 0.000 2.526 349 A HA -0.146 nan 4.320 nan 0.000 0.287 349 A C 0.339 177.909 177.584 -0.024 0.000 1.232 349 A CA 1.246 53.277 52.037 -0.009 0.000 0.900 349 A CB -1.176 17.819 19.000 -0.009 0.000 1.077 349 A HN 0.602 8.746 8.150 -0.010 0.000 0.535 350 G N 1.146 109.933 108.800 -0.022 0.000 2.183 350 G HA2 -0.317 nan 3.960 nan 0.000 0.168 350 G HA3 -0.317 nan 3.960 nan 0.000 0.168 350 G C -1.539 173.336 174.900 -0.041 0.000 1.008 350 G CA -0.039 45.040 45.100 -0.034 0.000 0.677 350 G HN -0.083 8.456 8.290 -0.009 -0.254 0.498 351 A N -0.779 122.022 122.820 -0.033 0.000 1.773 351 A HA 0.425 nan 4.320 nan 0.000 0.210 351 A C -0.700 176.911 177.584 0.045 0.000 1.775 351 A CA 1.551 53.570 52.037 -0.030 0.000 1.157 351 A CB 0.865 19.805 19.000 -0.100 0.000 1.119 351 A HN -0.324 7.842 8.150 -0.019 -0.027 0.501 352 T N -3.519 111.093 114.554 0.096 0.000 3.105 352 T HA 0.248 nan 4.350 nan 0.000 0.253 352 T C 0.359 175.174 174.700 0.193 0.000 1.047 352 T CA -0.468 61.783 62.100 0.252 0.000 0.944 352 T CB 0.063 69.134 68.868 0.338 0.000 1.016 352 T HN -0.478 7.795 8.240 0.055 0.000 0.544 353 D N 0.585 121.035 120.400 0.084 0.000 2.437 353 D HA 0.123 nan 4.640 nan 0.000 0.259 353 D C 0.843 177.079 176.300 -0.107 0.000 1.118 353 D CA -1.718 52.335 54.000 0.089 0.000 1.017 353 D CB 1.124 41.949 40.800 0.042 0.000 1.120 353 D HN -0.526 7.784 8.370 0.037 0.083 0.541 354 S N 1.117 116.682 115.700 -0.226 0.000 2.368 354 S HA -0.459 nan 4.470 nan 0.000 0.226 354 S C 1.458 175.848 174.600 -0.350 0.000 1.044 354 S CA 4.543 62.391 58.200 -0.587 0.000 1.062 354 S CB -0.320 62.630 63.200 -0.417 0.000 0.931 354 S HN 0.523 8.810 8.310 -0.038 0.000 0.440 355 A N -0.429 122.282 122.820 -0.182 0.000 1.898 355 A HA -0.120 nan 4.320 nan 0.000 0.216 355 A C 2.079 179.608 177.584 -0.091 0.000 1.181 355 A CA 2.340 54.308 52.037 -0.115 0.000 0.620 355 A CB -0.811 18.148 19.000 -0.069 0.000 0.819 355 A HN 0.134 8.199 8.150 -0.141 0.000 0.442 356 G N -0.951 107.799 108.800 -0.084 0.000 2.514 356 G HA2 -0.361 nan 3.960 nan 0.000 0.217 356 G HA3 -0.361 nan 3.960 nan 0.000 0.217 356 G C 1.398 176.267 174.900 -0.051 0.000 1.198 356 G CA 2.211 47.279 45.100 -0.054 0.000 0.780 356 G HN -0.642 7.771 8.290 -0.085 -0.174 0.565 357 V N 1.730 121.562 119.914 -0.137 0.000 2.469 357 V HA -0.386 nan 4.120 nan 0.000 0.251 357 V C 2.227 178.318 176.094 -0.006 0.000 1.064 357 V CA 3.582 65.802 62.300 -0.133 0.000 1.066 357 V CB -1.003 30.532 31.823 -0.482 0.000 0.667 357 V HN 0.297 8.369 8.190 -0.197 0.000 0.461 358 S N -0.320 115.331 115.700 -0.083 0.000 2.383 358 S HA -0.307 nan 4.470 nan 0.000 0.227 358 S C 2.193 176.829 174.600 0.060 0.000 1.026 358 S CA 4.060 62.244 58.200 -0.027 0.000 0.981 358 S CB -0.481 62.672 63.200 -0.078 0.000 0.818 358 S HN 0.081 8.180 8.310 -0.155 0.119 0.472 359 E N 0.718 120.948 120.200 0.050 0.000 2.208 359 E HA -0.229 nan 4.350 nan 0.000 0.193 359 E C 2.073 178.750 176.600 0.130 0.000 0.988 359 E CA 2.587 59.032 56.400 0.075 0.000 0.828 359 E CB -0.248 29.474 29.700 0.037 0.000 0.763 359 E HN -0.275 8.093 8.360 0.013 0.000 0.478 360 A N 0.618 123.541 122.820 0.172 0.000 1.877 360 A HA -0.243 nan 4.320 nan 0.000 0.216 360 A C 1.900 179.740 177.584 0.427 0.000 1.186 360 A CA 3.253 55.439 52.037 0.247 0.000 0.620 360 A CB -0.826 18.365 19.000 0.318 0.000 0.822 360 A HN -0.463 7.658 8.150 0.142 0.114 0.443 361 L N -2.505 119.003 121.223 0.475 0.000 2.017 361 L HA -0.498 nan 4.340 nan 0.000 0.208 361 L C 2.431 179.556 176.870 0.425 0.000 1.073 361 L CA 2.941 58.055 54.840 0.456 0.000 0.745 361 L CB -0.637 41.619 42.059 0.327 0.000 0.894 361 L HN -0.455 8.012 8.230 0.395 0.000 0.432 362 Q N -1.697 118.273 119.800 0.284 0.000 2.062 362 Q HA -0.439 nan 4.340 nan 0.000 0.209 362 Q C 2.873 179.014 176.000 0.235 0.000 0.996 362 Q CA 3.477 59.419 55.803 0.231 0.000 0.859 362 Q CB -0.505 28.317 28.738 0.141 0.000 0.920 362 Q HN 0.029 8.275 8.270 0.230 0.162 0.415 363 R N -1.126 119.488 120.500 0.191 0.000 2.082 363 R HA -0.368 nan 4.340 nan 0.000 0.234 363 R C 2.383 178.779 176.300 0.161 0.000 1.136 363 R CA 3.533 59.722 56.100 0.148 0.000 0.935 363 R CB -0.106 30.253 30.300 0.098 0.000 0.842 363 R HN -0.081 8.196 8.270 0.184 0.103 0.430 364 V N -0.172 119.838 119.914 0.160 0.000 2.214 364 V HA -0.442 nan 4.120 nan 0.000 0.247 364 V C 1.954 178.081 176.094 0.054 0.000 1.051 364 V CA 4.396 66.728 62.300 0.052 0.000 1.003 364 V CB -0.764 31.038 31.823 -0.034 0.000 0.635 364 V HN -0.273 8.043 8.190 0.210 0.000 0.447 365 F N -1.903 118.189 119.950 0.235 0.000 2.202 365 F HA -0.373 nan 4.527 nan 0.000 0.301 365 F C 2.377 178.378 175.800 0.337 0.000 1.082 365 F CA 3.790 61.970 58.000 0.299 0.000 1.313 365 F CB -1.006 38.126 39.000 0.219 0.000 1.024 365 F HN 0.068 8.477 8.300 0.182 0.000 0.495 366 G N -1.079 107.952 108.800 0.386 0.000 2.402 366 G HA2 -0.373 nan 3.960 nan 0.000 0.216 366 G HA3 -0.373 nan 3.960 nan 0.000 0.216 366 G C 0.968 176.011 174.900 0.239 0.000 1.162 366 G CA 1.752 47.019 45.100 0.279 0.000 0.777 366 G HN 0.109 8.507 8.290 0.349 0.102 0.539 367 D N 2.478 123.014 120.400 0.227 0.000 2.097 367 D HA -0.151 nan 4.640 nan 0.000 0.197 367 D C 1.824 178.272 176.300 0.246 0.000 0.984 367 D CA 2.728 56.845 54.000 0.195 0.000 0.826 367 D CB -0.373 40.528 40.800 0.169 0.000 0.973 367 D HN 0.073 8.576 8.370 0.222 0.000 0.460 368 W N 0.846 122.253 121.300 0.178 0.000 2.325 368 W HA -0.470 nan 4.660 nan 0.000 0.299 368 W C 1.597 178.290 176.519 0.291 0.000 1.215 368 W CA 4.127 61.626 57.345 0.257 0.000 1.244 368 W CB 0.118 29.680 29.460 0.170 0.000 1.140 368 W HN -0.060 8.382 8.180 0.437 0.000 0.523 369 K N -0.691 119.814 120.400 0.176 0.000 2.097 369 K HA -0.430 nan 4.320 nan 0.000 0.206 369 K C 1.945 178.522 176.600 -0.038 0.000 1.049 369 K CA 3.620 59.920 56.287 0.022 0.000 0.933 369 K CB -0.040 32.583 32.500 0.204 0.000 0.717 369 K HN -0.365 8.113 8.250 0.397 0.011 0.442 370 I N -6.975 113.607 120.570 0.020 0.000 2.852 370 I HA -0.066 nan 4.170 nan 0.000 0.264 370 I C 1.196 177.289 176.117 -0.039 0.000 1.179 370 I CA 2.108 63.412 61.300 0.007 0.000 1.480 370 I CB -0.033 37.991 38.000 0.040 0.000 1.111 370 I HN -0.324 7.832 8.210 0.077 0.101 0.441 371 D N -0.574 119.791 120.400 -0.059 0.000 2.162 371 D HA -0.097 nan 4.640 nan 0.000 0.203 371 D C 0.658 176.701 176.300 -0.430 0.000 0.967 371 D CA 3.170 57.063 54.000 -0.178 0.000 0.840 371 D CB 1.162 41.928 40.800 -0.057 0.000 0.972 371 D HN 0.412 8.672 8.370 -0.004 0.107 0.482 372 Y N -2.824 117.345 120.300 -0.218 0.000 2.846 372 Y HA -0.008 nan 4.550 nan 0.000 0.258 372 Y C 1.038 176.797 175.900 -0.236 0.000 1.077 372 Y CA 1.627 59.597 58.100 -0.217 0.000 1.270 372 Y CB 1.976 40.197 38.460 -0.398 0.000 1.476 372 Y HN -0.163 7.865 8.280 -0.248 0.103 0.460 373 A N 0.893 123.445 122.820 -0.447 0.000 1.842 373 A HA -0.424 nan 4.320 nan 0.000 0.217 373 A C 2.215 179.813 177.584 0.023 0.000 1.206 373 A CA 3.320 55.205 52.037 -0.253 0.000 0.630 373 A CB -0.775 18.018 19.000 -0.346 0.000 0.839 373 A HN -0.070 7.591 8.150 -0.815 0.000 0.447 374 D N -1.546 118.852 120.400 -0.004 0.000 2.221 374 D HA -0.226 nan 4.640 nan 0.000 0.204 374 D C 2.597 178.927 176.300 0.050 0.000 0.982 374 D CA 2.685 56.707 54.000 0.036 0.000 0.857 374 D CB -0.665 40.150 40.800 0.025 0.000 0.934 374 D HN 0.341 8.569 8.370 -0.057 0.108 0.475 375 K N -3.089 117.342 120.400 0.052 0.000 2.217 375 K HA -0.150 nan 4.320 nan 0.000 0.202 375 K C 0.937 177.597 176.600 0.100 0.000 1.051 375 K CA 2.462 58.795 56.287 0.077 0.000 0.952 375 K CB 0.364 32.916 32.500 0.086 0.000 0.736 375 K HN 0.155 8.307 8.250 0.029 0.116 0.453 376 I N -9.441 111.204 120.570 0.125 0.000 4.018 376 I HA 0.143 nan 4.170 nan 0.000 0.337 376 I C -0.125 176.051 176.117 0.098 0.000 1.327 376 I CA -0.858 60.501 61.300 0.098 0.000 1.100 376 I CB 0.637 38.688 38.000 0.084 0.000 1.025 376 I HN -0.496 7.659 8.210 0.138 0.138 0.396 377 G N -0.813 108.054 108.800 0.112 0.000 2.137 377 G HA2 -0.364 nan 3.960 nan 0.000 0.237 377 G HA3 -0.364 nan 3.960 nan 0.000 0.237 377 G C -1.049 173.948 174.900 0.162 0.000 1.002 377 G CA 0.086 45.246 45.100 0.099 0.000 0.702 377 G HN -0.537 7.707 8.290 0.106 0.109 0.515 378 F N 1.350 121.331 119.950 0.051 0.000 2.411 378 F HA 0.034 nan 4.527 nan 0.000 0.350 378 F C -1.157 174.699 175.800 0.094 0.000 1.114 378 F CA -0.944 57.114 58.000 0.097 0.000 1.135 378 F CB 1.129 40.233 39.000 0.174 0.000 1.120 378 F HN -0.748 7.709 8.300 0.311 0.029 0.495 379 R N 6.903 127.170 120.500 -0.387 0.000 2.265 379 R HA 0.130 nan 4.340 nan 0.000 0.314 379 R C -1.560 174.537 176.300 -0.339 0.000 1.053 379 R CA -0.479 55.465 56.100 -0.259 0.000 0.931 379 R CB 0.275 30.444 30.300 -0.218 0.000 1.024 379 R HN 0.260 8.175 8.270 -0.591 0.000 0.457 380 V N 3.989 123.891 119.914 -0.019 0.000 2.668 380 V HA 0.217 nan 4.120 nan 0.000 0.304 380 V C -1.495 174.675 176.094 0.128 0.000 1.071 380 V CA -0.738 61.648 62.300 0.144 0.000 0.894 380 V CB 2.993 35.131 31.823 0.525 0.000 1.008 380 V HN 0.228 8.441 8.190 0.039 0.000 0.425 381 D N 8.170 128.619 120.400 0.081 0.000 2.500 381 D HA 0.107 nan 4.640 nan 0.000 0.219 381 D C 0.678 177.010 176.300 0.053 0.000 1.137 381 D CA -1.397 52.636 54.000 0.056 0.000 0.946 381 D CB -0.294 40.515 40.800 0.016 0.000 1.022 381 D HN 0.072 8.480 8.370 0.062 0.000 0.518 382 V N 5.028 125.008 119.914 0.109 0.000 2.311 382 V HA -0.594 nan 4.120 nan 0.000 0.259 382 V C 1.487 177.572 176.094 -0.016 0.000 1.086 382 V CA 3.216 65.580 62.300 0.105 0.000 1.078 382 V CB -0.434 31.504 31.823 0.192 0.000 0.668 382 V HN 0.175 8.450 8.190 0.142 0.000 0.452 383 D N -1.570 118.829 120.400 -0.001 0.000 2.104 383 D HA -0.370 nan 4.640 nan 0.000 0.194 383 D C 2.237 178.492 176.300 -0.076 0.000 0.994 383 D CA 3.553 57.536 54.000 -0.028 0.000 0.830 383 D CB -0.638 40.157 40.800 -0.009 0.000 0.959 383 D HN -0.460 8.034 8.370 0.026 -0.108 0.452 384 Q N -0.017 119.738 119.800 -0.074 0.000 2.084 384 Q HA -0.354 nan 4.340 nan 0.000 0.202 384 Q C 2.150 178.052 176.000 -0.162 0.000 0.978 384 Q CA 3.256 59.007 55.803 -0.087 0.000 0.844 384 Q CB -0.055 28.650 28.738 -0.054 0.000 0.898 384 Q HN -0.165 8.349 8.270 -0.047 -0.272 0.426 385 K N -1.430 118.803 120.400 -0.278 0.000 2.148 385 K HA -0.196 nan 4.320 nan 0.000 0.204 385 K C 2.545 178.771 176.600 -0.623 0.000 1.050 385 K CA 2.092 58.051 56.287 -0.545 0.000 0.942 385 K CB -0.612 31.300 32.500 -0.979 0.000 0.724 385 K HN -0.670 7.429 8.250 -0.231 0.012 0.446 386 V N 1.379 121.023 119.914 -0.450 0.000 2.323 386 V HA -0.385 nan 4.120 nan 0.000 0.244 386 V C 1.797 177.808 176.094 -0.139 0.000 1.041 386 V CA 4.691 66.852 62.300 -0.233 0.000 1.025 386 V CB -0.867 30.911 31.823 -0.075 0.000 0.656 386 V HN -0.269 7.595 8.190 -0.356 0.113 0.451 387 D N -0.412 119.915 120.400 -0.121 0.000 2.106 387 D HA -0.383 nan 4.640 nan 0.000 0.191 387 D C 2.128 178.387 176.300 -0.068 0.000 0.997 387 D CA 3.558 57.511 54.000 -0.078 0.000 0.834 387 D CB -0.668 40.093 40.800 -0.064 0.000 0.956 387 D HN -0.278 8.013 8.370 -0.132 0.000 0.448 388 A N -0.893 121.872 122.820 -0.091 0.000 1.869 388 A HA -0.307 nan 4.320 nan 0.000 0.218 388 A C 2.912 180.473 177.584 -0.038 0.000 1.203 388 A CA 3.063 55.061 52.037 -0.065 0.000 0.638 388 A CB -0.570 18.376 19.000 -0.090 0.000 0.831 388 A HN -0.059 8.016 8.150 -0.124 0.000 0.450 389 V N 0.199 120.082 119.914 -0.052 0.000 2.295 389 V HA -0.401 nan 4.120 nan 0.000 0.246 389 V C 2.068 178.177 176.094 0.025 0.000 1.049 389 V CA 4.060 66.362 62.300 0.004 0.000 1.024 389 V CB -0.598 31.239 31.823 0.023 0.000 0.648 389 V HN -0.448 7.672 8.190 -0.115 0.000 0.447 390 L N -1.942 119.280 121.223 -0.003 0.000 2.187 390 L HA -0.450 nan 4.340 nan 0.000 0.213 390 L C 2.139 179.047 176.870 0.063 0.000 1.100 390 L CA 2.864 57.709 54.840 0.008 0.000 0.765 390 L CB -1.164 40.853 42.059 -0.070 0.000 0.904 390 L HN 0.407 8.615 8.230 -0.035 0.000 0.437 391 A N -0.347 122.496 122.820 0.039 0.000 1.948 391 A HA -0.210 nan 4.320 nan 0.000 0.220 391 A C 1.610 179.242 177.584 0.080 0.000 1.177 391 A CA 2.372 54.438 52.037 0.050 0.000 0.636 391 A CB -0.722 18.293 19.000 0.025 0.000 0.815 391 A HN -0.348 7.668 8.150 0.014 0.143 0.449 392 G N -1.781 107.070 108.800 0.086 0.000 3.279 392 G HA2 -0.035 nan 3.960 nan 0.000 0.230 392 G HA3 -0.035 nan 3.960 nan 0.000 0.230 392 G C -0.811 174.161 174.900 0.119 0.000 1.230 392 G CA -0.262 44.888 45.100 0.082 0.000 0.891 392 G HN -0.521 7.805 8.290 0.077 0.011 0.518 393 Y N 0.000 120.310 120.300 0.017 0.000 2.660 393 Y HA 0.000 nan 4.550 nan 0.000 0.201 393 Y CA 0.000 58.114 58.100 0.024 0.000 1.940 393 Y CB 0.000 38.459 38.460 -0.003 0.000 1.050 393 Y HN 0.000 8.244 8.280 0.246 0.183 0.758