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 1cq8_1_A DATA FIRST_RESID 5 DATA SEQUENCE MFENITAAPA DPILGLADLF RADERPGKIN LGIGVYKDET GKTPVLTSVK DATA SEQUENCE KAEQYLLENE XTTKNYLGID GIPEFGRCTQ ELLFGKGSAL INDKRARTAQ DATA SEQUENCE TPGGTGALRV AADFLAKNTS VKXXRXXXVW VSNPSWPNHK SVFNSAGLXE DATA SEQUENCE VREYAYYDAE NHTLDFDALI NSLNEAQAGD VVLFHGCCHN PTGIDPTLEQ DATA SEQUENCE WQTLAQLSVE KGWLPLFDFA YQGFARGXLE EDAEGLRAFA AMHKELIVAS DATA SEQUENCE SYSKNFGLYN ERVGACTLVA ADSETVDRAF SQMKAAIRAN YSNPPAHGAS DATA SEQUENCE VVATILSNDA LRAIWEQELT DMRQRIQRMR QLFVNTLQEK GANRDFSFII DATA SEQUENCE KQNGMFSFSG LTKEQVLRLR EEFGVYAVAS GRVNVAGMTP DNMAPLCEAI DATA SEQUENCE VAXVL 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.157 176.300 -0.239 0.000 1.140 5 M CA 0.000 55.056 55.300 -0.406 0.000 0.988 5 M CB 0.000 32.157 32.600 -0.739 0.000 1.302 6 F N 1.755 121.705 119.950 -0.001 0.000 2.727 6 F HA 0.296 4.838 4.527 0.026 0.000 0.302 6 F C 1.743 177.542 175.800 -0.001 0.000 1.097 6 F CA 0.196 58.195 58.000 -0.001 0.000 1.330 6 F CB -0.716 38.284 39.000 -0.000 0.000 1.084 6 F HN 0.175 nan 8.300 nan 0.000 0.578 7 E N 0.660 120.926 120.200 0.109 0.000 2.153 7 E HA -0.191 4.174 4.350 0.025 0.000 0.194 7 E C 1.084 177.719 176.600 0.059 0.000 0.988 7 E CA 1.480 57.921 56.400 0.068 0.000 0.811 7 E CB -0.480 29.235 29.700 0.024 0.000 0.746 7 E HN 0.499 nan 8.360 nan 0.000 0.466 8 N N -0.044 118.691 118.700 0.059 0.000 2.280 8 N HA 0.153 4.908 4.740 0.025 0.000 0.192 8 N C -0.381 175.160 175.510 0.052 0.000 1.109 8 N CA -0.235 52.842 53.050 0.045 0.000 0.855 8 N CB 0.451 38.957 38.487 0.031 0.000 0.974 8 N HN 0.052 nan 8.380 nan 0.000 0.482 9 I N 1.310 121.927 120.570 0.079 0.000 2.662 9 I HA -0.069 4.116 4.170 0.025 0.000 0.285 9 I C 0.813 176.950 176.117 0.033 0.000 1.161 9 I CA 0.427 61.765 61.300 0.063 0.000 1.415 9 I CB 0.494 38.540 38.000 0.077 0.000 1.385 9 I HN 0.008 nan 8.210 nan 0.000 0.552 10 T N 5.906 120.472 114.554 0.020 0.000 2.889 10 T HA 0.473 4.838 4.350 0.025 0.000 0.291 10 T C 0.240 174.940 174.700 0.001 0.000 0.995 10 T CA -0.705 61.401 62.100 0.010 0.000 1.092 10 T CB 0.673 69.545 68.868 0.007 0.000 0.954 10 T HN 0.684 nan 8.240 nan 0.000 0.506 11 A N 3.685 126.504 122.820 -0.002 0.000 2.524 11 A HA 0.560 4.895 4.320 0.025 0.000 0.250 11 A C 0.843 178.420 177.584 -0.011 0.000 1.078 11 A CA -0.104 51.928 52.037 -0.008 0.000 0.761 11 A CB -0.512 18.485 19.000 -0.005 0.000 1.012 11 A HN 1.185 nan 8.150 nan 0.000 0.500 12 A N 4.674 127.484 122.820 -0.016 0.000 2.407 12 A HA 0.585 4.920 4.320 0.025 0.000 0.248 12 A C -1.327 176.247 177.584 -0.016 0.000 1.082 12 A CA -0.962 51.064 52.037 -0.019 0.000 0.785 12 A CB -0.419 18.565 19.000 -0.025 0.000 1.020 12 A HN 0.822 nan 8.150 nan 0.000 0.489 13 P HA 0.460 nan 4.420 nan 0.000 0.278 13 P C -0.282 177.008 177.300 -0.016 0.000 1.238 13 P CA -0.150 62.941 63.100 -0.015 0.000 0.794 13 P CB 1.096 32.786 31.700 -0.017 0.000 0.955 14 A N 1.826 124.641 122.820 -0.008 0.000 2.407 14 A HA 0.118 4.453 4.320 0.025 0.000 0.248 14 A C 0.257 177.835 177.584 -0.011 0.000 1.082 14 A CA -0.245 51.789 52.037 -0.004 0.000 0.785 14 A CB -0.413 18.593 19.000 0.010 0.000 1.020 14 A HN 0.649 nan 8.150 nan 0.000 0.489 15 D N 1.815 122.208 120.400 -0.012 0.000 2.425 15 D HA 0.209 4.864 4.640 0.025 0.000 0.247 15 D C -0.985 175.314 176.300 -0.002 0.000 1.147 15 D CA -0.986 53.000 54.000 -0.023 0.000 0.879 15 D CB 0.876 41.664 40.800 -0.019 0.000 1.179 15 D HN 0.256 nan 8.370 nan 0.000 0.456 16 P HA -0.149 nan 4.420 nan 0.000 0.219 16 P C 1.224 178.541 177.300 0.029 0.000 1.146 16 P CA 1.168 64.273 63.100 0.009 0.000 0.808 16 P CB 0.359 32.058 31.700 -0.001 0.000 0.779 17 I N -1.087 119.504 120.570 0.034 0.000 2.499 17 I HA -0.083 4.102 4.170 0.025 0.000 0.243 17 I C 2.648 178.801 176.117 0.060 0.000 1.085 17 I CA 0.632 61.967 61.300 0.058 0.000 1.422 17 I CB -0.518 37.547 38.000 0.108 0.000 1.165 17 I HN -0.208 nan 8.210 nan 0.000 0.440 18 L N 0.635 121.893 121.223 0.058 0.000 2.156 18 L HA -0.053 4.302 4.340 0.025 0.000 0.208 18 L C 2.542 179.441 176.870 0.048 0.000 1.095 18 L CA 1.304 56.174 54.840 0.050 0.000 0.770 18 L CB -0.938 41.149 42.059 0.046 0.000 0.914 18 L HN 0.324 nan 8.230 nan 0.000 0.439 19 G N -0.187 108.639 108.800 0.045 0.000 2.498 19 G HA2 -0.217 3.758 3.960 0.025 0.000 0.219 19 G HA3 -0.217 3.758 3.960 0.025 0.000 0.219 19 G C 1.526 176.478 174.900 0.086 0.000 1.119 19 G CA 0.194 45.325 45.100 0.052 0.000 0.766 19 G HN 0.144 nan 8.290 nan 0.000 0.552 20 L N 1.023 122.307 121.223 0.101 0.000 2.109 20 L HA 0.213 4.568 4.340 0.025 0.000 0.207 20 L C 3.084 180.060 176.870 0.176 0.000 1.086 20 L CA 1.602 56.544 54.840 0.169 0.000 0.760 20 L CB -0.611 41.537 42.059 0.148 0.000 0.910 20 L HN 0.235 nan 8.230 nan 0.000 0.437 21 A N -0.851 122.028 122.820 0.099 0.000 1.933 21 A HA -0.247 4.089 4.320 0.025 0.000 0.218 21 A C 1.935 179.584 177.584 0.109 0.000 1.175 21 A CA 2.031 54.117 52.037 0.082 0.000 0.628 21 A CB -0.779 18.244 19.000 0.039 0.000 0.814 21 A HN 0.473 nan 8.150 nan 0.000 0.444 22 D N 0.054 120.509 120.400 0.090 0.000 2.084 22 D HA -0.121 4.534 4.640 0.025 0.000 0.194 22 D C 1.909 178.262 176.300 0.088 0.000 0.990 22 D CA 1.383 55.426 54.000 0.072 0.000 0.826 22 D CB -0.285 40.548 40.800 0.056 0.000 0.971 22 D HN 0.424 nan 8.370 nan 0.000 0.453 23 L N -0.302 121.007 121.223 0.144 0.000 2.013 23 L HA -0.183 4.172 4.340 0.025 0.000 0.212 23 L C 2.250 179.221 176.870 0.168 0.000 1.073 23 L CA 0.954 55.917 54.840 0.204 0.000 0.753 23 L CB -0.567 41.698 42.059 0.342 0.000 0.890 23 L HN 0.052 nan 8.230 nan 0.000 0.432 24 F N 1.595 121.495 119.950 -0.084 0.000 2.095 24 F HA -0.298 4.243 4.527 0.024 0.000 0.298 24 F C 2.801 178.442 175.800 -0.265 0.000 1.104 24 F CA 2.155 59.838 58.000 -0.529 0.000 1.232 24 F CB -0.192 38.433 39.000 -0.625 0.000 0.987 24 F HN 0.028 nan 8.300 nan 0.000 0.475 25 R N 0.863 121.299 120.500 -0.107 0.000 2.090 25 R HA 0.081 4.436 4.340 0.025 0.000 0.228 25 R C 2.023 178.236 176.300 -0.146 0.000 1.110 25 R CA 1.460 57.473 56.100 -0.144 0.000 0.973 25 R CB -1.594 28.702 30.300 -0.007 0.000 0.869 25 R HN 0.159 nan 8.270 nan 0.000 0.440 26 A N 0.770 123.544 122.820 -0.076 0.000 2.121 26 A HA -0.069 4.266 4.320 0.025 0.000 0.218 26 A C 0.361 177.903 177.584 -0.070 0.000 1.154 26 A CA 0.879 52.886 52.037 -0.050 0.000 0.679 26 A CB -0.648 18.348 19.000 -0.006 0.000 0.795 26 A HN 0.500 nan 8.150 nan 0.000 0.458 27 D N -0.291 120.039 120.400 -0.117 0.000 2.312 27 D HA 0.358 5.013 4.640 0.025 0.000 0.252 27 D C 0.518 176.710 176.300 -0.180 0.000 1.150 27 D CA -0.151 53.785 54.000 -0.107 0.000 0.870 27 D CB 0.770 41.534 40.800 -0.059 0.000 1.153 27 D HN 0.260 nan 8.370 nan 0.000 0.457 28 E N 2.323 122.459 120.200 -0.108 0.000 4.337 28 E HA 0.413 4.778 4.350 0.025 0.000 0.516 28 E C -0.237 176.298 176.600 -0.110 0.000 0.822 28 E CA -0.086 56.250 56.400 -0.107 0.000 3.237 28 E CB 0.334 29.996 29.700 -0.062 0.000 2.124 28 E HN 0.468 nan 8.360 nan 0.000 0.580 29 R N -1.021 119.439 120.500 -0.066 0.000 1.654 29 R HA -0.123 4.232 4.340 0.025 0.000 0.396 29 R C -2.320 173.947 176.300 -0.055 0.000 1.258 29 R CA 0.152 56.227 56.100 -0.041 0.000 1.036 29 R CB -1.212 29.081 30.300 -0.012 0.000 3.126 29 R HN 0.412 nan 8.270 nan 0.000 0.490 30 P HA -0.172 nan 4.420 nan 0.000 0.214 30 P C 1.382 178.684 177.300 0.003 0.000 1.163 30 P CA 1.849 64.936 63.100 -0.022 0.000 0.889 30 P CB 0.085 31.781 31.700 -0.007 0.000 0.790 31 G N 0.301 109.118 108.800 0.028 0.000 2.653 31 G HA2 -0.187 3.788 3.960 0.025 0.000 0.212 31 G HA3 -0.187 3.788 3.960 0.025 0.000 0.212 31 G C 0.228 175.187 174.900 0.098 0.000 1.138 31 G CA -0.143 44.993 45.100 0.059 0.000 0.782 31 G HN 0.403 nan 8.290 nan 0.000 0.535 32 K N 0.346 120.797 120.400 0.085 0.000 2.511 32 K HA 0.191 4.526 4.320 0.025 0.000 0.280 32 K C -0.590 176.201 176.600 0.319 0.000 1.008 32 K CA 0.235 56.624 56.287 0.170 0.000 1.050 32 K CB 0.651 33.113 32.500 -0.064 0.000 0.889 32 K HN 0.092 nan 8.250 nan 0.000 0.484 33 I N 2.353 123.155 120.570 0.386 0.000 2.433 33 I HA 0.108 4.293 4.170 0.025 0.000 0.292 33 I C -0.487 175.740 176.117 0.183 0.000 1.001 33 I CA -1.076 60.378 61.300 0.257 0.000 1.119 33 I CB 1.700 39.785 38.000 0.141 0.000 1.289 33 I HN 0.679 nan 8.210 nan 0.000 0.438 34 N N 7.102 125.659 118.700 -0.239 0.000 2.501 34 N HA 0.285 5.040 4.740 0.025 0.000 0.245 34 N C -0.589 174.746 175.510 -0.291 0.000 0.974 34 N CA -0.373 52.297 53.050 -0.634 0.000 0.941 34 N CB 1.028 38.567 38.487 -1.580 0.000 1.122 34 N HN 0.417 nan 8.380 nan 0.000 0.507 35 L N 3.010 124.161 121.223 -0.119 0.000 3.110 35 L HA 0.435 4.790 4.340 0.025 0.000 0.266 35 L C 1.559 178.419 176.870 -0.016 0.000 1.257 35 L CA -0.111 54.689 54.840 -0.066 0.000 1.038 35 L CB -0.062 41.973 42.059 -0.040 0.000 1.395 35 L HN 0.637 nan 8.230 nan 0.000 0.566 36 G N 0.249 109.022 108.800 -0.045 0.000 2.629 36 G HA2 0.091 4.067 3.960 0.025 0.000 0.213 36 G HA3 0.091 4.067 3.960 0.025 0.000 0.213 36 G C 0.831 175.748 174.900 0.028 0.000 1.425 36 G CA -0.294 44.806 45.100 -0.001 0.000 0.929 36 G HN 0.174 nan 8.290 nan 0.000 0.527 37 I N 1.991 122.562 120.570 0.002 0.000 2.948 37 I HA 0.163 4.348 4.170 0.025 0.000 0.290 37 I C 1.260 177.452 176.117 0.125 0.000 1.226 37 I CA 0.263 61.589 61.300 0.043 0.000 1.413 37 I CB 0.281 38.264 38.000 -0.028 0.000 1.352 37 I HN 0.233 nan 8.210 nan 0.000 0.597 38 G N 5.567 114.520 108.800 0.253 0.000 2.985 38 G HA2 0.420 4.395 3.960 0.025 0.000 0.282 38 G HA3 0.420 4.395 3.960 0.025 0.000 0.282 38 G C -0.413 174.490 174.900 0.006 0.000 0.791 38 G CA -0.127 45.124 45.100 0.252 0.000 1.934 38 G HN 0.325 nan 8.290 nan 0.000 0.563 39 V N 2.526 122.374 119.914 -0.109 0.000 2.588 39 V HA 0.295 4.430 4.120 0.025 0.000 0.304 39 V C -0.506 175.544 176.094 -0.074 0.000 1.042 39 V CA -1.219 60.909 62.300 -0.287 0.000 0.877 39 V CB 1.633 33.161 31.823 -0.491 0.000 0.996 39 V HN 0.623 nan 8.190 nan 0.000 0.425 40 Y N 5.272 125.591 120.300 0.030 0.000 2.457 40 Y HA 0.409 4.973 4.550 0.024 0.000 0.341 40 Y C 0.254 176.180 175.900 0.045 0.000 1.240 40 Y CA 0.307 58.455 58.100 0.081 0.000 1.437 40 Y CB 0.546 39.146 38.460 0.232 0.000 1.328 40 Y HN 0.549 nan 8.280 nan 0.000 0.588 41 K N 3.965 123.776 120.400 -0.981 0.000 2.469 41 K HA 0.229 4.564 4.320 0.025 0.000 0.254 41 K C -1.407 174.628 176.600 -0.942 0.000 0.939 41 K CA -1.039 54.852 56.287 -0.660 0.000 0.812 41 K CB 1.520 33.805 32.500 -0.360 0.000 1.301 41 K HN 0.753 nan 8.250 nan 0.000 0.433 42 D N 0.655 120.838 120.400 -0.361 0.000 2.478 42 D HA -0.013 4.642 4.640 0.025 0.000 0.263 42 D C 0.908 177.147 176.300 -0.101 0.000 1.153 42 D CA -0.396 53.526 54.000 -0.129 0.000 1.038 42 D CB 0.512 41.365 40.800 0.088 0.000 1.120 42 D HN 0.593 nan 8.370 nan 0.000 0.564 43 E N -0.804 119.380 120.200 -0.027 0.000 2.339 43 E HA -0.260 4.105 4.350 0.025 0.000 0.201 43 E C 1.175 177.760 176.600 -0.024 0.000 1.015 43 E CA 1.783 58.169 56.400 -0.023 0.000 0.841 43 E CB -0.852 28.850 29.700 0.003 0.000 0.754 43 E HN 0.630 nan 8.360 nan 0.000 0.508 44 T N -3.497 111.045 114.554 -0.020 0.000 3.086 44 T HA 0.380 4.745 4.350 0.025 0.000 0.250 44 T C 1.416 176.102 174.700 -0.023 0.000 1.074 44 T CA 0.451 62.544 62.100 -0.013 0.000 0.988 44 T CB 0.395 69.265 68.868 0.003 0.000 0.988 44 T HN 0.388 nan 8.240 nan 0.000 0.530 45 G N 1.238 110.007 108.800 -0.051 0.000 2.132 45 G HA2 -0.192 3.783 3.960 0.025 0.000 0.228 45 G HA3 -0.192 3.783 3.960 0.025 0.000 0.228 45 G C -0.198 174.673 174.900 -0.049 0.000 1.000 45 G CA 0.042 45.106 45.100 -0.060 0.000 0.693 45 G HN 0.683 nan 8.290 nan 0.000 0.515 46 K N -0.438 119.940 120.400 -0.037 0.000 2.281 46 K HA 0.681 5.016 4.320 0.025 0.000 0.242 46 K C -0.496 176.107 176.600 0.005 0.000 0.971 46 K CA -0.414 55.869 56.287 -0.006 0.000 0.834 46 K CB 2.051 34.564 32.500 0.021 0.000 1.181 46 K HN 0.084 nan 8.250 nan 0.000 0.435 47 T N 3.133 117.713 114.554 0.042 0.000 3.155 47 T HA 0.293 4.658 4.350 0.025 0.000 0.384 47 T C -2.171 172.626 174.700 0.161 0.000 1.351 47 T CA -1.640 60.532 62.100 0.121 0.000 1.198 47 T CB 0.138 69.052 68.868 0.076 0.000 1.106 47 T HN 0.375 nan 8.240 nan 0.000 0.564 48 P HA 0.378 nan 4.420 nan 0.000 0.276 48 P C -0.157 177.241 177.300 0.163 0.000 1.261 48 P CA -0.586 62.599 63.100 0.143 0.000 0.800 48 P CB 1.096 32.868 31.700 0.120 0.000 1.066 49 V N 2.064 122.054 119.914 0.127 0.000 2.546 49 V HA 0.194 4.329 4.120 0.025 0.000 0.284 49 V C 0.272 176.430 176.094 0.107 0.000 1.050 49 V CA -0.694 61.679 62.300 0.122 0.000 0.981 49 V CB -0.228 31.658 31.823 0.105 0.000 0.990 49 V HN 0.349 nan 8.190 nan 0.000 0.474 50 L N 5.499 126.786 121.223 0.107 0.000 2.499 50 L HA 0.088 4.443 4.340 0.025 0.000 0.281 50 L C 1.886 178.803 176.870 0.079 0.000 1.234 50 L CA 0.317 55.211 54.840 0.089 0.000 0.839 50 L CB 0.227 42.348 42.059 0.102 0.000 1.104 50 L HN 0.826 nan 8.230 nan 0.000 0.500 51 T N -0.303 114.287 114.554 0.061 0.000 2.777 51 T HA -0.145 4.220 4.350 0.025 0.000 0.266 51 T C 1.926 176.661 174.700 0.058 0.000 1.040 51 T CA 1.658 63.789 62.100 0.052 0.000 1.141 51 T CB -0.063 68.826 68.868 0.035 0.000 0.868 51 T HN 0.873 nan 8.240 nan 0.000 0.444 52 S N 1.344 117.086 115.700 0.070 0.000 2.383 52 S HA -0.092 4.393 4.470 0.025 0.000 0.229 52 S C 2.153 176.798 174.600 0.075 0.000 1.030 52 S CA 0.935 59.184 58.200 0.080 0.000 1.002 52 S CB -0.938 62.344 63.200 0.137 0.000 0.829 52 S HN 0.302 nan 8.310 nan 0.000 0.467 53 V N 2.127 122.096 119.914 0.092 0.000 2.358 53 V HA -0.102 4.033 4.120 0.025 0.000 0.246 53 V C 2.811 178.945 176.094 0.066 0.000 1.047 53 V CA 1.651 64.001 62.300 0.082 0.000 1.035 53 V CB -0.577 31.311 31.823 0.107 0.000 0.658 53 V HN 0.380 nan 8.190 nan 0.000 0.452 54 K N 0.434 120.876 120.400 0.070 0.000 2.057 54 K HA -0.140 4.195 4.320 0.025 0.000 0.207 54 K C 2.132 178.769 176.600 0.062 0.000 1.049 54 K CA 1.347 57.674 56.287 0.067 0.000 0.931 54 K CB -0.317 32.219 32.500 0.060 0.000 0.714 54 K HN 0.472 nan 8.250 nan 0.000 0.440 55 K N 0.270 120.703 120.400 0.055 0.000 2.057 55 K HA -0.053 4.282 4.320 0.025 0.000 0.206 55 K C 2.194 178.835 176.600 0.068 0.000 1.050 55 K CA 1.178 57.498 56.287 0.056 0.000 0.935 55 K CB -0.125 32.400 32.500 0.041 0.000 0.715 55 K HN 0.073 nan 8.250 nan 0.000 0.439 56 A N 1.764 124.607 122.820 0.038 0.000 1.930 56 A HA -0.188 4.147 4.320 0.025 0.000 0.217 56 A C 1.900 179.522 177.584 0.063 0.000 1.175 56 A CA 1.378 53.427 52.037 0.020 0.000 0.627 56 A CB -0.328 18.643 19.000 -0.047 0.000 0.815 56 A HN 0.283 nan 8.150 nan 0.000 0.443 57 E N -0.824 119.402 120.200 0.044 0.000 2.110 57 E HA -0.236 4.129 4.350 0.025 0.000 0.193 57 E C 2.227 178.877 176.600 0.083 0.000 0.988 57 E CA 1.234 57.668 56.400 0.057 0.000 0.804 57 E CB -0.120 29.647 29.700 0.112 0.000 0.745 57 E HN 0.796 nan 8.360 nan 0.000 0.458 58 Q N -0.078 119.774 119.800 0.087 0.000 2.079 58 Q HA -0.203 4.152 4.340 0.025 0.000 0.200 58 Q C 1.970 178.009 176.000 0.065 0.000 0.974 58 Q CA 1.116 56.960 55.803 0.068 0.000 0.840 58 Q CB -0.119 28.657 28.738 0.064 0.000 0.898 58 Q HN 0.344 nan 8.270 nan 0.000 0.430 59 Y N 0.927 121.220 120.300 -0.013 0.000 2.128 59 Y HA -0.279 4.283 4.550 0.021 0.000 0.284 59 Y C 1.784 177.668 175.900 -0.028 0.000 1.154 59 Y CA 1.866 59.953 58.100 -0.021 0.000 1.149 59 Y CB -0.154 38.288 38.460 -0.029 0.000 0.976 59 Y HN 0.105 nan 8.280 nan 0.000 0.505 60 L N -0.542 120.720 121.223 0.066 0.000 2.056 60 L HA -0.241 4.114 4.340 0.025 0.000 0.207 60 L C 2.569 179.403 176.870 -0.060 0.000 1.078 60 L CA 1.196 56.026 54.840 -0.016 0.000 0.749 60 L CB -0.728 41.324 42.059 -0.011 0.000 0.901 60 L HN 0.322 nan 8.230 nan 0.000 0.433 61 L N 0.262 121.473 121.223 -0.020 0.000 2.043 61 L HA -0.248 4.107 4.340 0.025 0.000 0.212 61 L C 2.758 179.590 176.870 -0.064 0.000 1.075 61 L CA 1.902 56.731 54.840 -0.019 0.000 0.752 61 L CB -0.223 41.840 42.059 0.006 0.000 0.891 61 L HN 0.491 nan 8.230 nan 0.000 0.432 62 E N -1.849 118.284 120.200 -0.112 0.000 2.318 62 E HA -0.124 4.241 4.350 0.025 0.000 0.193 62 E C 1.113 177.597 176.600 -0.194 0.000 0.998 62 E CA 0.861 57.179 56.400 -0.137 0.000 0.859 62 E CB -0.152 29.471 29.700 -0.129 0.000 0.812 62 E HN 0.527 nan 8.360 nan 0.000 0.492 63 N N 0.497 119.021 118.700 -0.293 0.000 2.254 63 N HA 0.062 4.817 4.740 0.025 0.000 0.190 63 N C 0.109 175.521 175.510 -0.164 0.000 1.107 63 N CA -0.123 52.749 53.050 -0.296 0.000 0.869 63 N CB 0.721 38.869 38.487 -0.565 0.000 0.983 63 N HN 0.172 nan 8.380 nan 0.000 0.487 67 T N 0.255 114.791 114.554 -0.032 0.000 2.786 67 T HA 0.536 4.901 4.350 0.025 0.000 0.316 67 T C -1.415 173.260 174.700 -0.041 0.000 1.503 67 T CA -0.499 61.580 62.100 -0.035 0.000 1.019 67 T CB 1.685 70.535 68.868 -0.030 0.000 1.415 67 T HN -0.109 nan 8.240 nan 0.000 0.496 68 K N 1.970 122.334 120.400 -0.060 0.000 2.478 68 K HA 0.230 4.565 4.320 0.025 0.000 0.205 68 K C 0.636 177.161 176.600 -0.125 0.000 1.033 68 K CA -0.344 55.896 56.287 -0.078 0.000 1.091 68 K CB -0.142 32.307 32.500 -0.085 0.000 0.844 68 K HN 0.591 nan 8.250 nan 0.000 0.507 69 N N 0.952 119.593 118.700 -0.098 0.000 2.395 69 N HA -0.086 4.669 4.740 0.025 0.000 0.246 69 N C -0.512 174.958 175.510 -0.067 0.000 1.246 69 N CA 0.115 53.102 53.050 -0.106 0.000 0.879 69 N CB 0.363 38.834 38.487 -0.026 0.000 1.098 69 N HN -0.081 nan 8.380 nan 0.000 0.444 70 Y N 1.890 122.192 120.300 0.004 0.000 2.987 70 Y HA -0.156 4.411 4.550 0.029 0.000 0.339 70 Y C 1.203 177.107 175.900 0.007 0.000 1.272 70 Y CA 0.284 58.389 58.100 0.008 0.000 1.562 70 Y CB 0.323 38.789 38.460 0.011 0.000 1.253 70 Y HN 0.518 nan 8.280 nan 0.000 0.604 71 L N 2.382 123.726 121.223 0.202 0.000 2.558 71 L HA 0.262 4.617 4.340 0.025 0.000 0.225 71 L C 0.919 177.843 176.870 0.091 0.000 1.128 71 L CA 1.241 56.145 54.840 0.106 0.000 0.868 71 L CB -0.792 41.306 42.059 0.065 0.000 1.006 71 L HN 0.908 nan 8.230 nan 0.000 0.454 72 G N -1.240 107.617 108.800 0.094 0.000 2.895 72 G HA2 -0.183 3.792 3.960 0.025 0.000 0.686 72 G HA3 -0.183 3.792 3.960 0.025 0.000 0.686 72 G C 0.655 175.587 174.900 0.053 0.000 1.108 72 G CA -0.389 44.747 45.100 0.059 0.000 0.761 72 G HN -0.081 nan 8.290 nan 0.000 0.611 73 I N 1.612 122.193 120.570 0.019 0.000 2.121 73 I HA -0.236 3.949 4.170 0.025 0.000 0.243 73 I C 2.439 178.583 176.117 0.045 0.000 1.047 73 I CA 2.743 64.039 61.300 -0.006 0.000 1.308 73 I CB -1.000 36.965 38.000 -0.059 0.000 1.015 73 I HN 0.827 nan 8.210 nan 0.000 0.410 74 D N 0.098 120.557 120.400 0.098 0.000 2.349 74 D HA 0.220 4.875 4.640 0.025 0.000 0.224 74 D C 1.261 177.661 176.300 0.166 0.000 1.029 74 D CA 0.822 54.933 54.000 0.186 0.000 0.879 74 D CB -0.216 40.795 40.800 0.353 0.000 0.906 74 D HN 0.481 nan 8.370 nan 0.000 0.528 75 G N 0.887 109.751 108.800 0.106 0.000 2.542 75 G HA2 -0.244 3.731 3.960 0.025 0.000 0.235 75 G HA3 -0.244 3.731 3.960 0.025 0.000 0.235 75 G C -0.366 174.567 174.900 0.055 0.000 1.286 75 G CA -0.267 44.863 45.100 0.050 0.000 0.904 75 G HN 0.324 nan 8.290 nan 0.000 0.577 76 I N 2.669 123.247 120.570 0.014 0.000 2.452 76 I HA 0.188 4.373 4.170 0.025 0.000 0.287 76 I C -1.071 175.129 176.117 0.138 0.000 1.079 76 I CA -1.551 59.781 61.300 0.052 0.000 1.387 76 I CB 1.508 39.511 38.000 0.005 0.000 1.404 76 I HN 0.272 nan 8.210 nan 0.000 0.522 77 P HA -0.211 nan 4.420 nan 0.000 0.214 77 P C 1.138 178.474 177.300 0.060 0.000 1.163 77 P CA 1.418 64.563 63.100 0.074 0.000 0.883 77 P CB 0.104 31.831 31.700 0.045 0.000 0.788 78 E N -1.202 119.025 120.200 0.045 0.000 2.160 78 E HA -0.232 4.133 4.350 0.025 0.000 0.195 78 E C 1.934 178.535 176.600 0.003 0.000 0.991 78 E CA 0.852 57.257 56.400 0.009 0.000 0.810 78 E CB -1.330 28.366 29.700 -0.007 0.000 0.742 78 E HN 0.220 nan 8.360 nan 0.000 0.466 79 F N 2.436 122.329 119.950 -0.095 0.000 2.095 79 F HA -0.058 4.484 4.527 0.025 0.000 0.298 79 F C 2.320 178.073 175.800 -0.080 0.000 1.104 79 F CA 2.087 60.009 58.000 -0.130 0.000 1.232 79 F CB -0.681 38.244 39.000 -0.126 0.000 0.987 79 F HN 0.039 nan 8.300 nan 0.000 0.475 80 G N 0.305 109.125 108.800 0.034 0.000 2.418 80 G HA2 -0.299 3.676 3.960 0.025 0.000 0.217 80 G HA3 -0.299 3.676 3.960 0.025 0.000 0.217 80 G C 1.852 176.677 174.900 -0.126 0.000 1.158 80 G CA 0.783 45.850 45.100 -0.054 0.000 0.771 80 G HN 0.399 nan 8.290 nan 0.000 0.545 81 R N -0.336 120.112 120.500 -0.088 0.000 2.081 81 R HA -0.078 4.277 4.340 0.025 0.000 0.235 81 R C 2.544 178.773 176.300 -0.119 0.000 1.131 81 R CA 1.676 57.728 56.100 -0.079 0.000 0.960 81 R CB -0.682 29.587 30.300 -0.052 0.000 0.856 81 R HN 0.372 nan 8.270 nan 0.000 0.436 82 C N -0.186 119.010 119.300 -0.173 0.000 2.429 82 C HA -0.075 4.400 4.460 0.025 0.000 0.277 82 C C 2.967 177.823 174.990 -0.223 0.000 1.262 82 C CA 1.466 60.367 59.018 -0.196 0.000 1.733 82 C CB -0.935 26.659 27.740 -0.244 0.000 2.010 82 C HN 0.680 nan 8.230 nan 0.000 0.483 83 T N -0.212 114.150 114.554 -0.320 0.000 2.746 83 T HA -0.207 4.158 4.350 0.025 0.000 0.267 83 T C 1.784 176.320 174.700 -0.274 0.000 1.039 83 T CA 1.690 63.622 62.100 -0.280 0.000 1.142 83 T CB -0.294 68.354 68.868 -0.366 0.000 0.866 83 T HN 0.671 nan 8.240 nan 0.000 0.444 84 Q N 0.149 119.823 119.800 -0.209 0.000 2.124 84 Q HA -0.099 4.257 4.340 0.025 0.000 0.202 84 Q C 2.414 178.331 176.000 -0.139 0.000 0.977 84 Q CA 1.644 57.356 55.803 -0.153 0.000 0.850 84 Q CB -0.092 28.673 28.738 0.044 0.000 0.901 84 Q HN 0.701 nan 8.270 nan 0.000 0.429 85 E N 0.465 120.604 120.200 -0.102 0.000 2.152 85 E HA -0.116 4.249 4.350 0.025 0.000 0.192 85 E C 2.049 178.580 176.600 -0.115 0.000 0.983 85 E CA 0.485 56.845 56.400 -0.067 0.000 0.818 85 E CB 0.032 29.701 29.700 -0.051 0.000 0.758 85 E HN 0.320 nan 8.360 nan 0.000 0.467 86 L N 0.658 121.783 121.223 -0.163 0.000 2.056 86 L HA -0.193 4.162 4.340 0.025 0.000 0.207 86 L C 2.351 179.043 176.870 -0.297 0.000 1.078 86 L CA 0.958 55.696 54.840 -0.171 0.000 0.749 86 L CB -0.146 41.832 42.059 -0.136 0.000 0.901 86 L HN 0.176 nan 8.230 nan 0.000 0.433 87 L N -1.800 119.140 121.223 -0.471 0.000 2.044 87 L HA -0.156 4.199 4.340 0.025 0.000 0.205 87 L C 1.910 178.413 176.870 -0.612 0.000 1.075 87 L CA 1.180 55.584 54.840 -0.726 0.000 0.747 87 L CB -0.308 41.063 42.059 -1.146 0.000 0.903 87 L HN 0.163 nan 8.230 nan 0.000 0.435 88 F N -0.508 119.379 119.950 -0.105 0.000 2.704 88 F HA 0.454 4.996 4.527 0.026 0.000 0.304 88 F C 1.212 176.975 175.800 -0.062 0.000 1.094 88 F CA -0.099 57.853 58.000 -0.079 0.000 1.275 88 F CB -0.342 38.619 39.000 -0.064 0.000 1.073 88 F HN 0.056 nan 8.300 nan 0.000 0.586 89 G N 0.958 109.791 108.800 0.054 0.000 2.692 89 G HA2 -0.226 3.749 3.960 0.025 0.000 0.686 89 G HA3 -0.226 3.749 3.960 0.025 0.000 0.686 89 G C 0.507 175.430 174.900 0.038 0.000 1.243 89 G CA -0.165 44.953 45.100 0.031 0.000 0.782 89 G HN 0.258 nan 8.290 nan 0.000 0.625 90 K N 0.331 120.740 120.400 0.014 0.000 2.026 90 K HA -0.037 4.298 4.320 0.025 0.000 0.208 90 K C 2.689 179.298 176.600 0.014 0.000 1.048 90 K CA 2.397 58.690 56.287 0.010 0.000 0.929 90 K CB -0.734 31.765 32.500 -0.000 0.000 0.713 90 K HN 0.920 nan 8.250 nan 0.000 0.439 91 G N 0.936 109.743 108.800 0.012 0.000 2.459 91 G HA2 -0.242 3.733 3.960 0.025 0.000 0.217 91 G HA3 -0.242 3.733 3.960 0.025 0.000 0.217 91 G C 0.375 175.281 174.900 0.010 0.000 1.183 91 G CA 0.726 45.831 45.100 0.008 0.000 0.776 91 G HN 0.463 nan 8.290 nan 0.000 0.552 92 S N 0.073 115.785 115.700 0.021 0.000 4.466 92 S HA -0.048 4.437 4.470 0.025 0.000 0.529 92 S C 1.609 176.201 174.600 -0.014 0.000 1.031 92 S CA 0.654 58.863 58.200 0.015 0.000 0.906 92 S CB -0.024 63.214 63.200 0.064 0.000 1.279 92 S HN 1.139 nan 8.310 nan 0.000 0.417 93 A N 5.478 128.276 122.820 -0.035 0.000 2.066 93 A HA 0.062 4.397 4.320 0.025 0.000 0.218 93 A C 2.040 179.579 177.584 -0.076 0.000 1.157 93 A CA 1.226 53.236 52.037 -0.046 0.000 0.670 93 A CB -0.320 18.655 19.000 -0.042 0.000 0.804 93 A HN 0.863 nan 8.150 nan 0.000 0.453 94 L N -0.579 120.565 121.223 -0.131 0.000 2.131 94 L HA -0.168 4.187 4.340 0.025 0.000 0.210 94 L C 2.296 179.095 176.870 -0.119 0.000 1.092 94 L CA 1.160 55.878 54.840 -0.204 0.000 0.759 94 L CB -0.394 41.372 42.059 -0.489 0.000 0.903 94 L HN 0.420 nan 8.230 nan 0.000 0.435 95 I N -0.735 119.800 120.570 -0.058 0.000 2.277 95 I HA -0.208 3.977 4.170 0.025 0.000 0.243 95 I C 1.925 178.028 176.117 -0.024 0.000 1.094 95 I CA 1.243 62.534 61.300 -0.016 0.000 1.393 95 I CB -0.439 37.574 38.000 0.021 0.000 1.078 95 I HN 0.283 nan 8.210 nan 0.000 0.417 96 N N 0.843 119.528 118.700 -0.024 0.000 2.223 96 N HA -0.163 4.592 4.740 0.025 0.000 0.185 96 N C 0.732 176.227 175.510 -0.025 0.000 1.016 96 N CA 1.001 54.038 53.050 -0.021 0.000 0.863 96 N CB 0.017 38.493 38.487 -0.018 0.000 0.983 96 N HN 0.326 nan 8.380 nan 0.000 0.429 97 D N 0.547 120.927 120.400 -0.034 0.000 2.339 97 D HA 0.060 4.715 4.640 0.025 0.000 0.217 97 D C -0.098 176.182 176.300 -0.034 0.000 1.050 97 D CA 0.243 54.224 54.000 -0.032 0.000 0.856 97 D CB 0.299 41.078 40.800 -0.036 0.000 0.922 97 D HN 0.108 nan 8.370 nan 0.000 0.518 98 K N 0.283 120.659 120.400 -0.039 0.000 3.096 98 K HA -0.233 4.102 4.320 0.025 0.000 0.266 98 K C 0.766 177.336 176.600 -0.050 0.000 1.043 98 K CA 0.212 56.474 56.287 -0.043 0.000 0.758 98 K CB -1.103 31.378 32.500 -0.032 0.000 1.260 98 K HN 0.227 nan 8.250 nan 0.000 0.481 99 R N -0.250 120.211 120.500 -0.063 0.000 2.276 99 R HA 0.146 4.501 4.340 0.025 0.000 0.196 99 R C 0.748 177.005 176.300 -0.073 0.000 0.961 99 R CA 0.741 56.803 56.100 -0.063 0.000 1.024 99 R CB 0.529 30.781 30.300 -0.080 0.000 0.940 99 R HN 0.307 nan 8.270 nan 0.000 0.480 100 A N 1.179 123.947 122.820 -0.085 0.000 2.355 100 A HA 0.680 5.015 4.320 0.025 0.000 0.324 100 A C -0.706 176.798 177.584 -0.133 0.000 1.117 100 A CA -0.789 51.206 52.037 -0.069 0.000 0.785 100 A CB 1.219 20.218 19.000 -0.003 0.000 1.254 100 A HN -0.032 nan 8.150 nan 0.000 0.453 101 R N 0.712 121.076 120.500 -0.228 0.000 2.686 101 R HA 0.718 5.073 4.340 0.025 0.000 0.283 101 R C -1.284 174.757 176.300 -0.431 0.000 0.978 101 R CA -0.439 55.327 56.100 -0.557 0.000 0.897 101 R CB 1.676 31.252 30.300 -1.207 0.000 1.192 101 R HN 0.715 nan 8.270 nan 0.000 0.457 102 T N 0.701 115.058 114.554 -0.328 0.000 2.841 102 T HA 0.718 5.083 4.350 0.025 0.000 0.283 102 T C -0.770 174.061 174.700 0.219 0.000 1.000 102 T CA -0.651 61.448 62.100 -0.001 0.000 0.977 102 T CB 2.065 70.946 68.868 0.021 0.000 0.979 102 T HN 0.606 nan 8.240 nan 0.000 0.446 103 A N 2.622 125.666 122.820 0.374 0.000 2.331 103 A HA 0.647 4.982 4.320 0.025 0.000 0.320 103 A C -0.142 177.634 177.584 0.320 0.000 1.138 103 A CA -0.750 51.525 52.037 0.397 0.000 0.790 103 A CB 1.080 20.283 19.000 0.338 0.000 1.206 103 A HN 0.773 nan 8.150 nan 0.000 0.470 104 Q N 1.413 121.387 119.800 0.290 0.000 2.314 104 Q HA 0.477 4.832 4.340 0.025 0.000 0.258 104 Q C -0.125 175.963 176.000 0.147 0.000 0.954 104 Q CA 0.328 56.257 55.803 0.209 0.000 0.890 104 Q CB 0.605 29.275 28.738 -0.113 0.000 1.210 104 Q HN 0.858 nan 8.270 nan 0.000 0.410 105 T N 0.523 115.142 114.554 0.109 0.000 2.865 105 T HA 0.515 4.880 4.350 0.025 0.000 0.294 105 T C -2.744 171.910 174.700 -0.077 0.000 1.119 105 T CA -2.147 59.995 62.100 0.069 0.000 1.007 105 T CB 1.662 70.618 68.868 0.146 0.000 1.225 105 T HN 0.392 nan 8.240 nan 0.000 0.515 106 P HA 0.421 nan 4.420 nan 0.000 0.249 106 P C 0.660 177.910 177.300 -0.083 0.000 1.737 106 P CA 1.121 64.092 63.100 -0.215 0.000 1.128 106 P CB -0.370 31.109 31.700 -0.368 0.000 1.942 107 G N 1.787 110.567 108.800 -0.033 0.000 2.757 107 G HA2 -0.095 3.880 3.960 0.025 0.000 0.638 107 G HA3 -0.095 3.880 3.960 0.025 0.000 0.638 107 G C 0.987 175.896 174.900 0.017 0.000 1.344 107 G CA -0.497 44.602 45.100 -0.002 0.000 0.855 107 G HN 0.387 nan 8.290 nan 0.000 0.537 108 G N -1.584 107.211 108.800 -0.008 0.000 2.464 108 G HA2 0.182 4.157 3.960 0.025 0.000 0.217 108 G HA3 0.182 4.157 3.960 0.025 0.000 0.217 108 G C 1.774 176.713 174.900 0.065 0.000 1.138 108 G CA 2.254 47.355 45.100 0.001 0.000 0.793 108 G HN 1.170 nan 8.290 nan 0.000 0.539 109 T N 0.975 115.582 114.554 0.088 0.000 2.746 109 T HA -0.037 4.328 4.350 0.025 0.000 0.267 109 T C 2.495 177.255 174.700 0.100 0.000 1.039 109 T CA 1.361 63.563 62.100 0.170 0.000 1.142 109 T CB -0.415 68.578 68.868 0.208 0.000 0.866 109 T HN 0.320 nan 8.240 nan 0.000 0.444 110 G N 0.777 109.620 108.800 0.071 0.000 2.443 110 G HA2 0.059 4.034 3.960 0.025 0.000 0.219 110 G HA3 0.059 4.034 3.960 0.025 0.000 0.219 110 G C 1.744 176.719 174.900 0.124 0.000 1.131 110 G CA 0.775 45.922 45.100 0.079 0.000 0.775 110 G HN 0.570 nan 8.290 nan 0.000 0.547 111 A N 0.481 123.370 122.820 0.115 0.000 1.929 111 A HA 0.205 4.540 4.320 0.025 0.000 0.216 111 A C 2.373 180.046 177.584 0.147 0.000 1.176 111 A CA 0.862 52.982 52.037 0.138 0.000 0.628 111 A CB -0.288 18.787 19.000 0.125 0.000 0.816 111 A HN 0.339 nan 8.150 nan 0.000 0.444 112 L N -1.096 120.207 121.223 0.133 0.000 2.056 112 L HA -0.159 4.196 4.340 0.025 0.000 0.207 112 L C 2.756 179.681 176.870 0.092 0.000 1.078 112 L CA 1.611 56.526 54.840 0.125 0.000 0.749 112 L CB -0.401 41.694 42.059 0.060 0.000 0.901 112 L HN 0.366 nan 8.230 nan 0.000 0.433 113 R N 0.785 121.322 120.500 0.061 0.000 2.073 113 R HA -0.153 4.202 4.340 0.025 0.000 0.234 113 R C 2.154 178.530 176.300 0.126 0.000 1.134 113 R CA 2.242 58.382 56.100 0.066 0.000 0.952 113 R CB -1.051 29.285 30.300 0.061 0.000 0.850 113 R HN 0.350 nan 8.270 nan 0.000 0.433 114 V N -1.295 118.706 119.914 0.146 0.000 2.594 114 V HA 0.008 4.143 4.120 0.025 0.000 0.253 114 V C 2.084 178.288 176.094 0.184 0.000 1.069 114 V CA 1.691 64.077 62.300 0.143 0.000 1.082 114 V CB -1.081 30.814 31.823 0.121 0.000 0.680 114 V HN 0.345 nan 8.190 nan 0.000 0.469 115 A N 0.686 123.630 122.820 0.206 0.000 1.897 115 A HA 0.210 4.545 4.320 0.025 0.000 0.215 115 A C 2.508 180.299 177.584 0.344 0.000 1.181 115 A CA 1.995 54.195 52.037 0.273 0.000 0.620 115 A CB -1.010 18.153 19.000 0.272 0.000 0.821 115 A HN 0.920 nan 8.150 nan 0.000 0.443 116 A N 0.219 123.223 122.820 0.307 0.000 1.858 116 A HA -0.184 4.151 4.320 0.025 0.000 0.216 116 A C 1.781 179.494 177.584 0.214 0.000 1.190 116 A CA 1.959 54.180 52.037 0.306 0.000 0.617 116 A CB -0.713 18.470 19.000 0.306 0.000 0.827 116 A HN 0.416 nan 8.150 nan 0.000 0.443 117 D N -1.177 119.332 120.400 0.182 0.000 2.149 117 D HA -0.141 4.514 4.640 0.025 0.000 0.198 117 D C 1.562 177.955 176.300 0.155 0.000 0.990 117 D CA 1.336 55.417 54.000 0.134 0.000 0.839 117 D CB -0.380 40.484 40.800 0.108 0.000 0.948 117 D HN 0.484 nan 8.370 nan 0.000 0.460 118 F N 1.097 121.082 119.950 0.057 0.000 2.060 118 F HA -0.099 4.443 4.527 0.026 0.000 0.295 118 F C 2.074 177.910 175.800 0.060 0.000 1.120 118 F CA 1.191 59.220 58.000 0.049 0.000 1.205 118 F CB -0.502 38.535 39.000 0.062 0.000 0.986 118 F HN -0.118 nan 8.300 nan 0.000 0.470 119 L N 0.376 121.601 121.223 0.002 0.000 2.012 119 L HA -0.219 4.136 4.340 0.025 0.000 0.210 119 L C 2.756 179.561 176.870 -0.109 0.000 1.073 119 L CA 1.386 56.157 54.840 -0.115 0.000 0.748 119 L CB -1.301 40.818 42.059 0.099 0.000 0.891 119 L HN 0.302 nan 8.230 nan 0.000 0.431 120 A N -0.886 121.922 122.820 -0.020 0.000 2.172 120 A HA -0.194 4.141 4.320 0.025 0.000 0.216 120 A C 2.331 179.887 177.584 -0.046 0.000 1.154 120 A CA 1.588 53.616 52.037 -0.015 0.000 0.701 120 A CB -0.243 18.774 19.000 0.027 0.000 0.789 120 A HN 0.373 nan 8.150 nan 0.000 0.465 121 K N -1.527 118.821 120.400 -0.087 0.000 2.399 121 K HA 0.126 4.461 4.320 0.025 0.000 0.196 121 K C 0.330 176.852 176.600 -0.129 0.000 1.103 121 K CA 0.312 56.550 56.287 -0.082 0.000 0.986 121 K CB 0.353 32.826 32.500 -0.045 0.000 0.952 121 K HN 0.408 nan 8.250 nan 0.000 0.541 122 N N 0.230 118.778 118.700 -0.253 0.000 2.197 122 N HA 0.080 4.835 4.740 0.025 0.000 0.228 122 N C -0.739 174.612 175.510 -0.266 0.000 1.212 122 N CA 0.111 53.000 53.050 -0.269 0.000 0.883 122 N CB 1.864 40.124 38.487 -0.378 0.000 1.107 122 N HN -0.069 nan 8.380 nan 0.000 0.519 123 T N -0.422 114.000 114.554 -0.220 0.000 2.865 123 T HA 0.203 4.568 4.350 0.025 0.000 0.294 123 T C 0.670 175.330 174.700 -0.066 0.000 1.119 123 T CA -0.463 61.554 62.100 -0.138 0.000 1.007 123 T CB 1.830 70.601 68.868 -0.161 0.000 1.225 123 T HN 0.006 nan 8.240 nan 0.000 0.515 124 S N -0.109 115.576 115.700 -0.024 0.000 2.614 124 S HA 0.260 4.745 4.470 0.025 0.000 0.230 124 S C 0.548 175.155 174.600 0.011 0.000 0.952 124 S CA -0.446 57.752 58.200 -0.003 0.000 0.949 124 S CB -0.270 62.936 63.200 0.011 0.000 0.786 124 S HN 0.416 nan 8.310 nan 0.000 0.478 125 V N 2.389 122.308 119.914 0.008 0.000 2.715 125 V HA 0.287 4.422 4.120 0.025 0.000 0.299 125 V C 0.265 176.362 176.094 0.003 0.000 1.054 125 V CA 0.178 62.490 62.300 0.021 0.000 1.077 125 V CB 0.848 32.686 31.823 0.024 0.000 0.972 125 V HN 0.464 nan 8.190 nan 0.000 0.484 134 W N 3.543 124.671 121.300 -0.287 0.000 2.335 134 W HA 0.752 5.427 4.660 0.025 0.000 0.307 134 W C -0.305 176.132 176.519 -0.136 0.000 1.117 134 W CA -0.554 56.687 57.345 -0.173 0.000 1.228 134 W CB 1.742 31.092 29.460 -0.183 0.000 1.240 134 W HN 0.370 nan 8.180 nan 0.000 0.468 135 V N 3.843 123.754 119.914 -0.005 0.000 2.495 135 V HA 0.345 4.480 4.120 0.025 0.000 0.298 135 V C 0.363 176.170 176.094 -0.478 0.000 1.031 135 V CA -1.204 61.008 62.300 -0.147 0.000 0.871 135 V CB 1.500 33.272 31.823 -0.084 0.000 0.988 135 V HN 0.588 nan 8.190 nan 0.000 0.432 136 S N 3.370 118.555 115.700 -0.858 0.000 2.569 136 S HA 0.126 4.611 4.470 0.025 0.000 0.274 136 S C -0.108 174.194 174.600 -0.496 0.000 1.353 136 S CA -0.150 57.317 58.200 -1.221 0.000 1.023 136 S CB 0.289 62.919 63.200 -0.950 0.000 0.876 136 S HN 0.829 nan 8.310 nan 0.000 0.540 137 N N 2.176 120.672 118.700 -0.340 0.000 2.483 137 N HA 0.542 5.297 4.740 0.025 0.000 0.267 137 N C -2.604 172.913 175.510 0.011 0.000 0.998 137 N CA -1.922 51.069 53.050 -0.099 0.000 0.918 137 N CB 1.652 40.119 38.487 -0.033 0.000 1.215 137 N HN 0.476 nan 8.380 nan 0.000 0.500 138 P HA 0.411 nan 4.420 nan 0.000 0.284 138 P C -0.792 176.485 177.300 -0.039 0.000 1.292 138 P CA -0.425 62.668 63.100 -0.013 0.000 0.800 138 P CB 1.670 33.369 31.700 -0.002 0.000 1.188 139 S N -2.007 113.691 115.700 -0.005 0.000 2.727 139 S HA 0.394 4.879 4.470 0.025 0.000 0.278 139 S C -1.970 172.719 174.600 0.148 0.000 1.186 139 S CA -0.638 57.616 58.200 0.090 0.000 0.836 139 S CB -0.027 63.323 63.200 0.250 0.000 1.186 139 S HN 0.439 nan 8.310 nan 0.000 0.499 140 W N 3.702 124.991 121.300 -0.018 0.000 2.469 140 W HA 0.379 5.055 4.660 0.026 0.000 0.321 140 W C -2.324 174.086 176.519 -0.181 0.000 1.415 140 W CA -1.687 55.515 57.345 -0.239 0.000 1.308 140 W CB 0.034 29.158 29.460 -0.560 0.000 1.368 140 W HN 0.519 nan 8.180 nan 0.000 0.546 141 P HA -0.318 nan 4.420 nan 0.000 0.218 141 P C 1.287 178.256 177.300 -0.552 0.000 1.154 141 P CA 2.240 65.144 63.100 -0.327 0.000 0.872 141 P CB 0.213 31.768 31.700 -0.241 0.000 0.790 142 N N -2.207 115.786 118.700 -1.177 0.000 2.550 142 N HA -0.112 4.643 4.740 0.025 0.000 0.186 142 N C 1.398 176.367 175.510 -0.902 0.000 1.110 142 N CA 0.601 52.931 53.050 -1.201 0.000 0.912 142 N CB -0.550 36.856 38.487 -1.801 0.000 0.968 142 N HN 0.335 nan 8.380 nan 0.000 0.448 143 H N -0.161 118.527 119.070 -0.637 0.000 2.321 143 H HA -0.071 4.500 4.556 0.025 0.000 0.300 143 H C 1.644 176.841 175.328 -0.219 0.000 1.087 143 H CA 1.211 57.074 56.048 -0.309 0.000 1.319 143 H CB 0.334 30.123 29.762 0.045 0.000 1.379 143 H HN 0.152 nan 8.280 nan 0.000 0.501 144 K N 0.609 121.026 120.400 0.027 0.000 2.032 144 K HA -0.106 4.229 4.320 0.025 0.000 0.209 144 K C 2.268 178.845 176.600 -0.038 0.000 1.048 144 K CA 1.381 57.695 56.287 0.045 0.000 0.927 144 K CB -0.737 31.752 32.500 -0.018 0.000 0.712 144 K HN 0.182 nan 8.250 nan 0.000 0.441 145 S N 1.483 117.091 115.700 -0.153 0.000 2.370 145 S HA -0.100 4.385 4.470 0.025 0.000 0.226 145 S C 2.355 176.854 174.600 -0.167 0.000 1.033 145 S CA 1.338 59.444 58.200 -0.157 0.000 1.011 145 S CB -0.516 62.561 63.200 -0.205 0.000 0.852 145 S HN 0.060 nan 8.310 nan 0.000 0.457 146 V N 1.279 121.018 119.914 -0.292 0.000 2.295 146 V HA -0.153 3.982 4.120 0.025 0.000 0.246 146 V C 2.039 177.996 176.094 -0.229 0.000 1.049 146 V CA 1.729 63.838 62.300 -0.319 0.000 1.024 146 V CB -0.825 30.703 31.823 -0.491 0.000 0.648 146 V HN 0.381 nan 8.190 nan 0.000 0.447 147 F N 0.729 120.672 119.950 -0.013 0.000 2.146 147 F HA -0.102 4.441 4.527 0.026 0.000 0.298 147 F C 2.316 178.100 175.800 -0.027 0.000 1.096 147 F CA 1.357 59.350 58.000 -0.013 0.000 1.275 147 F CB -1.213 37.770 39.000 -0.028 0.000 1.008 147 F HN 0.197 nan 8.300 nan 0.000 0.480 148 N N -0.077 118.694 118.700 0.119 0.000 2.149 148 N HA -0.145 4.610 4.740 0.025 0.000 0.188 148 N C 1.926 177.452 175.510 0.028 0.000 1.019 148 N CA 1.407 54.486 53.050 0.048 0.000 0.857 148 N CB -0.656 37.834 38.487 0.007 0.000 0.997 148 N HN 0.087 nan 8.380 nan 0.000 0.426 149 S N -0.102 115.605 115.700 0.011 0.000 2.442 149 S HA 0.011 4.496 4.470 0.025 0.000 0.236 149 S C 1.672 176.288 174.600 0.027 0.000 1.007 149 S CA 0.904 59.107 58.200 0.005 0.000 0.965 149 S CB -0.072 63.118 63.200 -0.017 0.000 0.773 149 S HN 0.503 nan 8.310 nan 0.000 0.504 150 A N -0.033 122.820 122.820 0.055 0.000 2.275 150 A HA 0.543 4.878 4.320 0.025 0.000 0.212 150 A C 1.626 179.242 177.584 0.054 0.000 1.201 150 A CA 0.744 52.822 52.037 0.068 0.000 0.843 150 A CB -0.471 18.598 19.000 0.114 0.000 0.873 150 A HN 0.739 nan 8.150 nan 0.000 0.492 151 G N -1.564 107.262 108.800 0.043 0.000 2.195 151 G HA2 -0.182 3.793 3.960 0.025 0.000 0.246 151 G HA3 -0.182 3.793 3.960 0.025 0.000 0.246 151 G C 0.126 175.037 174.900 0.019 0.000 0.984 151 G CA 0.238 45.353 45.100 0.024 0.000 0.633 151 G HN 0.269 nan 8.290 nan 0.000 0.525 155 V N 4.421 124.228 119.914 -0.178 0.000 2.347 155 V HA 0.540 4.676 4.120 0.025 0.000 0.280 155 V C 0.140 176.034 176.094 -0.333 0.000 1.021 155 V CA -0.508 61.651 62.300 -0.235 0.000 0.847 155 V CB 1.142 32.911 31.823 -0.091 0.000 0.990 155 V HN 0.514 nan 8.190 nan 0.000 0.444 156 R N 3.152 123.306 120.500 -0.576 0.000 2.732 156 R HA 0.681 5.036 4.340 0.025 0.000 0.278 156 R C -0.760 175.257 176.300 -0.473 0.000 0.976 156 R CA -0.800 54.866 56.100 -0.722 0.000 0.963 156 R CB 2.467 31.872 30.300 -1.491 0.000 1.150 156 R HN 0.700 nan 8.270 nan 0.000 0.478 157 E N 1.376 121.450 120.200 -0.210 0.000 2.227 157 E HA 0.263 4.628 4.350 0.025 0.000 0.268 157 E C -1.290 175.475 176.600 0.276 0.000 0.907 157 E CA -0.772 55.628 56.400 0.001 0.000 0.786 157 E CB 1.816 31.484 29.700 -0.053 0.000 1.191 157 E HN 0.432 nan 8.360 nan 0.000 0.411 158 Y N -0.465 119.964 120.300 0.215 0.000 2.487 158 Y HA 0.762 5.327 4.550 0.025 0.000 0.337 158 Y C -0.238 175.738 175.900 0.126 0.000 1.076 158 Y CA -1.485 56.719 58.100 0.174 0.000 1.115 158 Y CB 0.752 39.258 38.460 0.076 0.000 1.235 158 Y HN 0.506 nan 8.280 nan 0.000 0.468 159 A N 2.014 125.001 122.820 0.279 0.000 2.366 159 A HA 0.414 4.749 4.320 0.025 0.000 0.249 159 A C -0.769 177.011 177.584 0.327 0.000 1.084 159 A CA 0.235 52.395 52.037 0.206 0.000 0.794 159 A CB 0.052 19.135 19.000 0.139 0.000 1.034 159 A HN 1.061 nan 8.150 nan 0.000 0.491 160 Y N -0.421 119.925 120.300 0.077 0.000 3.213 160 Y HA 0.192 4.758 4.550 0.025 0.000 0.208 160 Y C -0.437 175.519 175.900 0.093 0.000 1.044 160 Y CA 0.028 58.169 58.100 0.068 0.000 1.520 160 Y CB 0.148 38.566 38.460 -0.069 0.000 1.447 160 Y HN 0.634 nan 8.280 nan 0.000 0.393 161 Y N 3.386 123.751 120.300 0.108 0.000 2.336 161 Y HA 0.330 4.896 4.550 0.026 0.000 0.335 161 Y C -0.419 175.485 175.900 0.008 0.000 1.046 161 Y CA -1.233 56.888 58.100 0.035 0.000 1.198 161 Y CB 0.488 39.023 38.460 0.125 0.000 1.182 161 Y HN 0.128 nan 8.280 nan 0.000 0.502 162 D N 5.177 125.297 120.400 -0.467 0.000 2.441 162 D HA 0.239 4.894 4.640 0.025 0.000 0.221 162 D C 0.705 176.462 176.300 -0.906 0.000 1.156 162 D CA 0.284 53.996 54.000 -0.480 0.000 0.896 162 D CB 1.005 41.607 40.800 -0.330 0.000 1.028 162 D HN 0.770 nan 8.370 nan 0.000 0.509 163 A N 3.963 126.359 122.820 -0.706 0.000 1.972 163 A HA -0.186 4.149 4.320 0.025 0.000 0.219 163 A C 1.935 179.118 177.584 -0.669 0.000 1.169 163 A CA 1.417 53.083 52.037 -0.619 0.000 0.635 163 A CB -0.314 18.585 19.000 -0.169 0.000 0.810 163 A HN 0.674 nan 8.150 nan 0.000 0.446 164 E N -0.256 119.623 120.200 -0.535 0.000 2.028 164 E HA -0.186 4.179 4.350 0.025 0.000 0.191 164 E C 1.373 177.539 176.600 -0.724 0.000 0.988 164 E CA 1.399 57.494 56.400 -0.508 0.000 0.799 164 E CB -0.071 29.453 29.700 -0.292 0.000 0.755 164 E HN 0.571 nan 8.360 nan 0.000 0.447 165 N N -0.376 117.981 118.700 -0.572 0.000 2.422 165 N HA -0.000 4.755 4.740 0.025 0.000 0.181 165 N C -0.755 174.520 175.510 -0.393 0.000 1.080 165 N CA 0.667 53.472 53.050 -0.409 0.000 0.893 165 N CB 0.147 38.508 38.487 -0.210 0.000 0.973 165 N HN 0.253 nan 8.380 nan 0.000 0.456 166 H N -1.753 117.084 119.070 -0.388 0.000 2.889 166 H HA -0.125 4.446 4.556 0.025 0.000 0.324 166 H C -0.598 174.685 175.328 -0.075 0.000 1.274 166 H CA 0.863 56.709 56.048 -0.336 0.000 1.176 166 H CB -2.177 27.403 29.762 -0.303 0.000 1.479 166 H HN 0.091 nan 8.280 nan 0.000 0.438 167 T N -0.851 113.624 114.554 -0.132 0.000 2.716 167 T HA 0.441 4.806 4.350 0.025 0.000 0.286 167 T C 0.009 174.678 174.700 -0.052 0.000 1.052 167 T CA -1.092 61.002 62.100 -0.011 0.000 1.024 167 T CB 1.974 70.809 68.868 -0.055 0.000 1.349 167 T HN 0.204 nan 8.240 nan 0.000 0.525 168 L N 2.229 123.394 121.223 -0.097 0.000 2.325 168 L HA 0.274 4.629 4.340 0.025 0.000 0.284 168 L C -0.391 176.392 176.870 -0.144 0.000 1.089 168 L CA -0.222 54.476 54.840 -0.237 0.000 0.836 168 L CB 0.393 42.258 42.059 -0.323 0.000 1.184 168 L HN 0.658 nan 8.230 nan 0.000 0.444 169 D N 4.386 124.707 120.400 -0.131 0.000 2.551 169 D HA -0.064 4.591 4.640 0.025 0.000 0.223 169 D C 0.945 177.263 176.300 0.031 0.000 1.144 169 D CA -0.027 53.943 54.000 -0.050 0.000 1.025 169 D CB 0.189 40.955 40.800 -0.056 0.000 1.085 169 D HN 0.441 nan 8.370 nan 0.000 0.506 170 F N 1.780 121.650 119.950 -0.132 0.000 2.161 170 F HA -0.172 4.370 4.527 0.025 0.000 0.300 170 F C 1.504 177.274 175.800 -0.050 0.000 1.089 170 F CA 1.327 59.266 58.000 -0.101 0.000 1.282 170 F CB 0.010 38.952 39.000 -0.097 0.000 1.010 170 F HN 0.273 nan 8.300 nan 0.000 0.485 171 D N -0.219 120.188 120.400 0.012 0.000 2.078 171 D HA -0.178 4.477 4.640 0.025 0.000 0.193 171 D C 2.374 178.627 176.300 -0.079 0.000 0.990 171 D CA 1.711 55.676 54.000 -0.059 0.000 0.827 171 D CB -0.515 40.277 40.800 -0.014 0.000 0.975 171 D HN 0.262 nan 8.370 nan 0.000 0.451 172 A N 0.410 123.209 122.820 -0.035 0.000 1.978 172 A HA -0.165 4.170 4.320 0.025 0.000 0.220 172 A C 2.116 179.696 177.584 -0.006 0.000 1.170 172 A CA 1.028 53.059 52.037 -0.010 0.000 0.636 172 A CB -0.848 18.160 19.000 0.013 0.000 0.810 172 A HN 0.299 nan 8.150 nan 0.000 0.448 173 L N -0.457 120.746 121.223 -0.033 0.000 1.976 173 L HA -0.161 4.194 4.340 0.025 0.000 0.209 173 L C 2.337 179.102 176.870 -0.175 0.000 1.071 173 L CA 1.396 56.221 54.840 -0.026 0.000 0.746 173 L CB -0.258 41.781 42.059 -0.034 0.000 0.890 173 L HN 0.300 nan 8.230 nan 0.000 0.432 174 I N 0.448 120.829 120.570 -0.315 0.000 2.127 174 I HA -0.356 3.829 4.170 0.025 0.000 0.241 174 I C 2.236 178.270 176.117 -0.139 0.000 1.075 174 I CA 1.940 63.078 61.300 -0.271 0.000 1.334 174 I CB -1.772 36.035 38.000 -0.322 0.000 1.040 174 I HN 0.457 nan 8.210 nan 0.000 0.405 175 N N 0.206 118.843 118.700 -0.105 0.000 2.205 175 N HA -0.156 4.599 4.740 0.025 0.000 0.186 175 N C 1.921 177.406 175.510 -0.042 0.000 1.015 175 N CA 1.463 54.480 53.050 -0.056 0.000 0.862 175 N CB -0.023 38.444 38.487 -0.033 0.000 0.986 175 N HN 0.293 nan 8.380 nan 0.000 0.429 176 S N 1.053 116.731 115.700 -0.036 0.000 2.357 176 S HA 0.041 4.526 4.470 0.025 0.000 0.221 176 S C 1.909 176.403 174.600 -0.176 0.000 1.031 176 S CA 0.592 58.792 58.200 0.000 0.000 0.982 176 S CB -0.139 63.135 63.200 0.122 0.000 0.853 176 S HN 0.246 nan 8.310 nan 0.000 0.458 177 L N 1.845 122.881 121.223 -0.311 0.000 2.456 177 L HA -0.037 4.318 4.340 0.025 0.000 0.224 177 L C 1.655 178.336 176.870 -0.315 0.000 1.148 177 L CA 0.471 54.940 54.840 -0.620 0.000 0.825 177 L CB -0.583 41.063 42.059 -0.689 0.000 0.937 177 L HN 0.236 nan 8.230 nan 0.000 0.450 178 N N 0.219 118.849 118.700 -0.117 0.000 2.519 178 N HA -0.198 4.557 4.740 0.025 0.000 0.186 178 N C 1.576 177.072 175.510 -0.022 0.000 1.062 178 N CA 0.806 53.851 53.050 -0.007 0.000 0.910 178 N CB 0.044 38.523 38.487 -0.014 0.000 0.958 178 N HN 0.389 nan 8.380 nan 0.000 0.445 179 E N -0.563 119.569 120.200 -0.114 0.000 2.479 179 E HA 0.210 4.575 4.350 0.025 0.000 0.193 179 E C -0.347 176.258 176.600 0.008 0.000 1.049 179 E CA -0.286 56.114 56.400 0.000 0.000 0.870 179 E CB 0.248 30.029 29.700 0.136 0.000 0.944 179 E HN 0.219 nan 8.360 nan 0.000 0.492 180 A N 1.216 123.846 122.820 -0.316 0.000 2.328 180 A HA 0.290 4.625 4.320 0.025 0.000 0.284 180 A C -0.253 177.456 177.584 0.209 0.000 1.160 180 A CA -0.429 51.450 52.037 -0.264 0.000 0.818 180 A CB 0.651 18.887 19.000 -1.272 0.000 1.087 180 A HN 0.188 nan 8.150 nan 0.000 0.504 181 Q N 0.755 120.717 119.800 0.270 0.000 2.237 181 Q HA 0.590 4.945 4.340 0.025 0.000 0.219 181 Q C 0.345 176.534 176.000 0.315 0.000 0.999 181 Q CA -0.209 55.745 55.803 0.251 0.000 0.959 181 Q CB 0.965 29.813 28.738 0.185 0.000 1.173 181 Q HN 0.912 nan 8.270 nan 0.000 0.527 182 A N 0.168 123.109 122.820 0.201 0.000 2.450 182 A HA 0.479 4.814 4.320 0.025 0.000 0.255 182 A C 0.926 178.619 177.584 0.183 0.000 1.096 182 A CA 0.573 52.715 52.037 0.174 0.000 0.778 182 A CB -0.755 18.287 19.000 0.071 0.000 1.031 182 A HN 0.944 nan 8.150 nan 0.000 0.494 183 G N 2.018 110.944 108.800 0.211 0.000 2.176 183 G HA2 -0.155 3.820 3.960 0.025 0.000 0.232 183 G HA3 -0.155 3.820 3.960 0.025 0.000 0.232 183 G C -0.212 174.799 174.900 0.185 0.000 0.986 183 G CA 0.251 45.454 45.100 0.171 0.000 0.643 183 G HN 0.789 nan 8.290 nan 0.000 0.522 184 D N -0.257 120.292 120.400 0.249 0.000 2.229 184 D HA 0.594 5.249 4.640 0.025 0.000 0.249 184 D C 0.395 176.806 176.300 0.185 0.000 1.027 184 D CA -0.260 53.872 54.000 0.221 0.000 0.923 184 D CB 1.904 42.878 40.800 0.288 0.000 1.174 184 D HN 0.114 nan 8.370 nan 0.000 0.443 185 V N 1.697 121.682 119.914 0.117 0.000 2.439 185 V HA 0.375 4.510 4.120 0.025 0.000 0.282 185 V C -0.063 176.016 176.094 -0.024 0.000 1.039 185 V CA -0.721 61.609 62.300 0.050 0.000 0.913 185 V CB 1.448 33.252 31.823 -0.031 0.000 0.983 185 V HN 0.378 nan 8.190 nan 0.000 0.460 186 V N 4.302 124.142 119.914 -0.123 0.000 2.409 186 V HA 0.575 4.710 4.120 0.025 0.000 0.291 186 V C -0.496 175.327 176.094 -0.452 0.000 1.020 186 V CA -0.797 61.283 62.300 -0.367 0.000 0.848 186 V CB 1.737 33.132 31.823 -0.714 0.000 0.990 186 V HN 0.667 nan 8.190 nan 0.000 0.430 187 L N 5.924 126.911 121.223 -0.392 0.000 2.265 187 L HA 0.635 4.990 4.340 0.025 0.000 0.288 187 L C -1.366 175.257 176.870 -0.412 0.000 1.058 187 L CA 0.193 54.846 54.840 -0.313 0.000 0.809 187 L CB 0.854 42.789 42.059 -0.206 0.000 1.179 187 L HN 0.718 nan 8.230 nan 0.000 0.429 188 F N 3.497 123.321 119.950 -0.211 0.000 2.508 188 F HA 0.426 4.968 4.527 0.025 0.000 0.325 188 F C 0.563 176.313 175.800 -0.083 0.000 1.090 188 F CA -0.647 57.217 58.000 -0.228 0.000 0.945 188 F CB 1.194 39.694 39.000 -0.833 0.000 1.156 188 F HN 0.417 nan 8.300 nan 0.000 0.463 189 H N 1.774 120.950 119.070 0.177 0.000 2.723 189 H HA 0.153 4.724 4.556 0.026 0.000 0.294 189 H C 1.070 176.501 175.328 0.171 0.000 1.079 189 H CA -0.036 56.097 56.048 0.141 0.000 1.411 189 H CB 1.503 31.352 29.762 0.145 0.000 1.439 189 H HN 0.985 nan 8.280 nan 0.000 0.474 190 G N 3.143 111.892 108.800 -0.084 0.000 2.469 190 G HA2 -0.217 3.758 3.960 0.025 0.000 0.219 190 G HA3 -0.217 3.758 3.960 0.025 0.000 0.219 190 G C 0.551 175.400 174.900 -0.084 0.000 1.150 190 G CA 1.200 45.944 45.100 -0.593 0.000 0.763 190 G HN 0.777 nan 8.290 nan 0.000 0.561 191 C N -5.448 113.945 119.300 0.155 0.000 3.292 191 C HA 0.508 4.983 4.460 0.025 0.000 0.338 191 C C 0.283 175.479 174.990 0.343 0.000 1.323 191 C CA -0.993 58.241 59.018 0.361 0.000 1.232 191 C CB 0.608 28.596 27.740 0.412 0.000 1.517 191 C HN 0.941 nan 8.230 nan 0.000 0.470 192 C N 2.317 121.784 119.300 0.277 0.000 4.067 192 C HA -0.120 4.355 4.460 0.025 0.000 0.305 192 C C 0.516 175.582 174.990 0.126 0.000 1.305 192 C CA 1.091 60.179 59.018 0.118 0.000 2.111 192 C CB -3.264 24.430 27.740 -0.078 0.000 1.339 192 C HN 1.254 nan 8.230 nan 0.000 0.668 193 H N 1.816 120.978 119.070 0.153 0.000 3.125 193 H HA 0.060 4.631 4.556 0.026 0.000 0.310 193 H C 0.505 175.872 175.328 0.066 0.000 0.980 193 H CA 1.295 57.410 56.048 0.112 0.000 1.422 193 H CB 0.515 30.280 29.762 0.004 0.000 1.432 193 H HN 0.704 nan 8.280 nan 0.000 0.577 194 N N 6.887 125.457 118.700 -0.217 0.000 2.425 194 N HA 0.149 4.904 4.740 0.025 0.000 0.268 194 N C -2.170 173.140 175.510 -0.333 0.000 0.991 194 N CA -2.271 50.706 53.050 -0.122 0.000 0.931 194 N CB 1.504 40.028 38.487 0.062 0.000 1.130 194 N HN 0.389 nan 8.380 nan 0.000 0.493 195 P HA 0.114 nan 4.420 nan 0.000 0.274 195 P C 0.657 177.700 177.300 -0.429 0.000 1.352 195 P CA 0.237 63.108 63.100 -0.381 0.000 0.947 195 P CB 0.234 31.653 31.700 -0.469 0.000 1.437 196 T N -4.241 110.113 114.554 -0.333 0.000 2.942 196 T HA 0.142 4.507 4.350 0.025 0.000 0.265 196 T C 1.793 176.476 174.700 -0.029 0.000 1.062 196 T CA 1.463 63.331 62.100 -0.387 0.000 1.139 196 T CB -1.177 67.400 68.868 -0.484 0.000 0.883 196 T HN 0.178 nan 8.240 nan 0.000 0.468 197 G N 1.279 110.149 108.800 0.115 0.000 2.205 197 G HA2 -0.189 3.786 3.960 0.025 0.000 0.261 197 G HA3 -0.189 3.786 3.960 0.025 0.000 0.261 197 G C 0.070 175.079 174.900 0.182 0.000 0.980 197 G CA 0.148 45.338 45.100 0.150 0.000 0.632 197 G HN 0.598 nan 8.290 nan 0.000 0.533 198 I N 1.717 122.397 120.570 0.184 0.000 2.395 198 I HA 0.476 4.661 4.170 0.025 0.000 0.289 198 I C -0.368 175.871 176.117 0.204 0.000 1.023 198 I CA -0.507 60.898 61.300 0.174 0.000 1.350 198 I CB 1.161 39.254 38.000 0.155 0.000 1.409 198 I HN -0.009 nan 8.210 nan 0.000 0.507 199 D N 6.785 127.281 120.400 0.160 0.000 2.527 199 D HA 0.513 5.168 4.640 0.025 0.000 0.233 199 D C -2.428 173.867 176.300 -0.008 0.000 1.063 199 D CA -1.256 52.853 54.000 0.182 0.000 0.880 199 D CB 1.902 42.883 40.800 0.300 0.000 1.457 199 D HN 0.181 nan 8.370 nan 0.000 0.475 200 P HA 0.168 nan 4.420 nan 0.000 0.274 200 P C 0.117 177.259 177.300 -0.264 0.000 1.231 200 P CA -0.309 62.490 63.100 -0.502 0.000 0.790 200 P CB 0.463 31.494 31.700 -1.115 0.000 0.951 201 T N -0.488 113.940 114.554 -0.210 0.000 2.732 201 T HA 0.079 4.444 4.350 0.025 0.000 0.287 201 T C 1.039 175.830 174.700 0.152 0.000 0.993 201 T CA -0.466 61.634 62.100 -0.000 0.000 0.966 201 T CB 0.093 68.929 68.868 -0.052 0.000 1.047 201 T HN 0.145 nan 8.240 nan 0.000 0.527 202 L N 0.490 121.846 121.223 0.222 0.000 2.141 202 L HA 0.045 4.400 4.340 0.025 0.000 0.209 202 L C 2.548 179.546 176.870 0.214 0.000 1.094 202 L CA 1.578 56.600 54.840 0.302 0.000 0.763 202 L CB -1.159 41.019 42.059 0.198 0.000 0.908 202 L HN 0.663 nan 8.230 nan 0.000 0.437 203 E N -0.261 119.994 120.200 0.092 0.000 2.017 203 E HA -0.274 4.091 4.350 0.025 0.000 0.193 203 E C 2.087 178.703 176.600 0.026 0.000 0.997 203 E CA 1.639 58.067 56.400 0.046 0.000 0.804 203 E CB -0.455 29.240 29.700 -0.008 0.000 0.757 203 E HN 0.655 nan 8.360 nan 0.000 0.448 204 Q N -0.423 119.294 119.800 -0.138 0.000 2.181 204 Q HA -0.167 4.188 4.340 0.025 0.000 0.205 204 Q C 2.079 178.090 176.000 0.018 0.000 0.980 204 Q CA 1.344 56.957 55.803 -0.317 0.000 0.862 204 Q CB -0.291 27.869 28.738 -0.963 0.000 0.905 204 Q HN 0.384 nan 8.270 nan 0.000 0.429 205 W N 0.854 122.207 121.300 0.089 0.000 2.381 205 W HA -0.174 4.501 4.660 0.026 0.000 0.301 205 W C 2.329 178.951 176.519 0.172 0.000 1.205 205 W CA 0.709 58.178 57.345 0.207 0.000 1.285 205 W CB 0.133 29.723 29.460 0.216 0.000 1.133 205 W HN 0.201 nan 8.180 nan 0.000 0.521 206 Q N -0.796 119.203 119.800 0.332 0.000 2.119 206 Q HA -0.142 4.213 4.340 0.025 0.000 0.201 206 Q C 2.085 178.149 176.000 0.107 0.000 0.972 206 Q CA 1.984 57.887 55.803 0.166 0.000 0.847 206 Q CB -0.404 28.406 28.738 0.120 0.000 0.903 206 Q HN 0.117 nan 8.270 nan 0.000 0.433 207 T N 0.889 115.539 114.554 0.160 0.000 2.708 207 T HA -0.088 4.277 4.350 0.025 0.000 0.266 207 T C 1.694 176.496 174.700 0.169 0.000 1.037 207 T CA 0.845 63.046 62.100 0.168 0.000 1.146 207 T CB -0.157 68.878 68.868 0.278 0.000 0.865 207 T HN 0.195 nan 8.240 nan 0.000 0.435 208 L N 0.627 122.016 121.223 0.275 0.000 2.131 208 L HA -0.076 4.279 4.340 0.025 0.000 0.210 208 L C 2.949 179.848 176.870 0.050 0.000 1.092 208 L CA 1.012 56.031 54.840 0.299 0.000 0.759 208 L CB -0.603 41.729 42.059 0.456 0.000 0.903 208 L HN 0.253 nan 8.230 nan 0.000 0.435 209 A N -0.874 121.783 122.820 -0.271 0.000 1.898 209 A HA -0.182 4.153 4.320 0.025 0.000 0.216 209 A C 2.268 179.707 177.584 -0.242 0.000 1.181 209 A CA 1.037 52.663 52.037 -0.686 0.000 0.620 209 A CB -0.289 18.362 19.000 -0.582 0.000 0.819 209 A HN 0.327 nan 8.150 nan 0.000 0.442 210 Q N -0.784 118.936 119.800 -0.132 0.000 1.993 210 Q HA -0.168 4.187 4.340 0.025 0.000 0.202 210 Q C 2.168 178.083 176.000 -0.142 0.000 0.984 210 Q CA 1.472 57.207 55.803 -0.113 0.000 0.837 210 Q CB -0.729 27.973 28.738 -0.059 0.000 0.902 210 Q HN 0.533 nan 8.270 nan 0.000 0.423 211 L N 0.740 121.896 121.223 -0.112 0.000 1.990 211 L HA -0.208 4.147 4.340 0.025 0.000 0.213 211 L C 2.546 179.166 176.870 -0.416 0.000 1.072 211 L CA 2.158 56.874 54.840 -0.208 0.000 0.755 211 L CB -1.088 40.919 42.059 -0.088 0.000 0.889 211 L HN 0.172 nan 8.230 nan 0.000 0.432 212 S N -1.288 114.295 115.700 -0.196 0.000 2.374 212 S HA -0.175 4.310 4.470 0.025 0.000 0.227 212 S C 2.028 176.536 174.600 -0.154 0.000 1.037 212 S CA 1.789 59.953 58.200 -0.060 0.000 1.024 212 S CB -0.568 63.008 63.200 0.626 0.000 0.861 212 S HN 0.450 nan 8.310 nan 0.000 0.456 213 V N -0.904 118.874 119.914 -0.227 0.000 2.809 213 V HA 0.083 4.218 4.120 0.025 0.000 0.256 213 V C 1.867 177.799 176.094 -0.271 0.000 1.080 213 V CA 1.759 63.857 62.300 -0.337 0.000 1.102 213 V CB -0.818 30.759 31.823 -0.411 0.000 0.705 213 V HN 0.441 nan 8.190 nan 0.000 0.475 214 E N 0.196 120.214 120.200 -0.303 0.000 2.190 214 E HA 0.014 4.379 4.350 0.025 0.000 0.191 214 E C 1.773 178.168 176.600 -0.341 0.000 0.978 214 E CA 0.447 56.682 56.400 -0.274 0.000 0.839 214 E CB 0.036 29.590 29.700 -0.243 0.000 0.787 214 E HN 0.461 nan 8.360 nan 0.000 0.473 215 K N -0.286 119.760 120.400 -0.589 0.000 2.426 215 K HA 0.085 4.420 4.320 0.025 0.000 0.193 215 K C 0.993 177.291 176.600 -0.503 0.000 1.028 215 K CA 0.710 56.566 56.287 -0.718 0.000 1.047 215 K CB 0.658 32.237 32.500 -1.536 0.000 0.821 215 K HN 0.233 nan 8.250 nan 0.000 0.513 216 G N 1.812 110.414 108.800 -0.331 0.000 2.198 216 G HA2 -0.182 3.793 3.960 0.025 0.000 0.257 216 G HA3 -0.182 3.793 3.960 0.025 0.000 0.257 216 G C -0.408 174.582 174.900 0.149 0.000 1.042 216 G CA -0.132 44.930 45.100 -0.062 0.000 0.791 216 G HN 0.095 nan 8.290 nan 0.000 0.502 217 W N -0.766 120.618 121.300 0.140 0.000 2.303 217 W HA 0.671 5.346 4.660 0.025 0.000 0.334 217 W C 0.532 177.203 176.519 0.252 0.000 1.197 217 W CA -1.514 55.930 57.345 0.166 0.000 1.262 217 W CB 0.603 30.158 29.460 0.158 0.000 1.153 217 W HN 0.061 nan 8.180 nan 0.000 0.596 218 L N 5.252 126.746 121.223 0.450 0.000 2.262 218 L HA 0.353 4.708 4.340 0.025 0.000 0.288 218 L C -2.277 174.798 176.870 0.342 0.000 1.035 218 L CA -1.756 53.303 54.840 0.364 0.000 0.820 218 L CB 1.369 43.588 42.059 0.267 0.000 1.204 218 L HN -0.032 nan 8.230 nan 0.000 0.424 219 P HA 0.189 nan 4.420 nan 0.000 0.280 219 P C -1.093 176.391 177.300 0.307 0.000 1.244 219 P CA -0.473 62.855 63.100 0.380 0.000 0.784 219 P CB 0.979 32.933 31.700 0.424 0.000 0.913 220 L N 5.347 126.701 121.223 0.219 0.000 2.377 220 L HA 0.510 4.865 4.340 0.025 0.000 0.270 220 L C -1.593 175.390 176.870 0.189 0.000 0.991 220 L CA -0.871 54.099 54.840 0.216 0.000 0.851 220 L CB -0.341 41.799 42.059 0.136 0.000 1.218 220 L HN 0.162 nan 8.230 nan 0.000 0.420 221 F N 2.936 122.961 119.950 0.124 0.000 2.394 221 F HA 0.363 4.905 4.527 0.025 0.000 0.340 221 F C 0.568 176.414 175.800 0.077 0.000 1.105 221 F CA -0.096 57.949 58.000 0.075 0.000 1.124 221 F CB 1.210 40.196 39.000 -0.023 0.000 1.145 221 F HN 0.438 nan 8.300 nan 0.000 0.505 222 D N 3.592 124.093 120.400 0.168 0.000 2.414 222 D HA 0.214 4.869 4.640 0.025 0.000 0.232 222 D C -1.474 174.874 176.300 0.079 0.000 1.070 222 D CA -0.245 53.830 54.000 0.125 0.000 0.839 222 D CB 0.256 41.097 40.800 0.069 0.000 1.079 222 D HN 0.130 nan 8.370 nan 0.000 0.521 223 F N 2.792 122.790 119.950 0.081 0.000 2.325 223 F HA 0.511 5.054 4.527 0.026 0.000 0.369 223 F C 0.745 176.488 175.800 -0.097 0.000 1.095 223 F CA -0.793 57.231 58.000 0.039 0.000 1.082 223 F CB 1.628 40.622 39.000 -0.011 0.000 1.289 223 F HN 0.506 nan 8.300 nan 0.000 0.462 224 A N 3.366 126.231 122.820 0.075 0.000 2.419 224 A HA 0.234 4.569 4.320 0.025 0.000 0.233 224 A C -0.302 176.942 177.584 -0.567 0.000 1.217 224 A CA 0.200 52.025 52.037 -0.354 0.000 0.944 224 A CB -0.113 18.488 19.000 -0.665 0.000 1.025 224 A HN 0.584 nan 8.150 nan 0.000 0.524 225 Y N 0.234 120.654 120.300 0.200 0.000 2.629 225 Y HA 0.329 4.895 4.550 0.026 0.000 0.282 225 Y C 0.452 176.589 175.900 0.395 0.000 0.994 225 Y CA -0.711 57.539 58.100 0.251 0.000 1.126 225 Y CB 0.048 38.575 38.460 0.112 0.000 1.187 225 Y HN 0.343 nan 8.280 nan 0.000 0.600 226 Q N 0.949 120.963 119.800 0.357 0.000 2.289 226 Q HA 0.370 4.725 4.340 0.025 0.000 0.273 226 Q C 1.116 177.220 176.000 0.173 0.000 1.029 226 Q CA 1.370 57.278 55.803 0.175 0.000 0.896 226 Q CB 0.501 29.082 28.738 -0.262 0.000 1.182 226 Q HN 0.844 nan 8.270 nan 0.000 0.385 227 G N 3.338 112.210 108.800 0.119 0.000 2.195 227 G HA2 -0.264 3.711 3.960 0.025 0.000 0.224 227 G HA3 -0.264 3.711 3.960 0.025 0.000 0.224 227 G C 0.167 174.992 174.900 -0.125 0.000 0.990 227 G CA 0.067 45.133 45.100 -0.056 0.000 0.639 227 G HN 0.666 nan 8.290 nan 0.000 0.514 228 F N 1.286 121.284 119.950 0.080 0.000 2.776 228 F HA 0.574 5.115 4.527 0.023 0.000 0.300 228 F C 2.416 178.249 175.800 0.055 0.000 1.116 228 F CA 1.257 59.293 58.000 0.060 0.000 1.375 228 F CB 0.331 39.395 39.000 0.106 0.000 1.109 228 F HN 0.364 nan 8.300 nan 0.000 0.585 229 A N 0.269 123.231 122.820 0.237 0.000 1.922 229 A HA 0.167 4.502 4.320 0.025 0.000 0.216 229 A C 2.049 179.702 177.584 0.115 0.000 1.370 229 A CA 0.698 52.843 52.037 0.181 0.000 0.627 229 A CB -0.092 19.035 19.000 0.211 0.000 1.060 229 A HN 0.215 nan 8.150 nan 0.000 0.487 230 R N -2.174 118.383 120.500 0.096 0.000 2.215 230 R HA 0.426 4.781 4.340 0.025 0.000 0.190 230 R C 0.687 176.990 176.300 0.004 0.000 0.968 230 R CA 0.693 56.824 56.100 0.053 0.000 1.122 230 R CB 0.900 31.241 30.300 0.068 0.000 1.151 230 R HN 0.637 nan 8.270 nan 0.000 0.582 234 E N 0.750 120.923 120.200 -0.044 0.000 2.047 234 E HA -0.189 4.176 4.350 0.025 0.000 0.191 234 E C 1.636 178.231 176.600 -0.008 0.000 0.987 234 E CA 1.685 58.064 56.400 -0.034 0.000 0.799 234 E CB 0.107 29.792 29.700 -0.025 0.000 0.752 234 E HN 0.484 nan 8.360 nan 0.000 0.449 235 E N 1.044 121.251 120.200 0.011 0.000 2.118 235 E HA -0.162 4.203 4.350 0.025 0.000 0.195 235 E C 1.552 178.202 176.600 0.084 0.000 0.992 235 E CA 1.239 57.666 56.400 0.045 0.000 0.804 235 E CB -0.110 29.619 29.700 0.049 0.000 0.741 235 E HN 0.176 nan 8.360 nan 0.000 0.458 236 D N -0.568 119.892 120.400 0.099 0.000 2.350 236 D HA -0.036 4.619 4.640 0.025 0.000 0.216 236 D C 1.006 177.473 176.300 0.278 0.000 0.968 236 D CA 0.969 55.092 54.000 0.205 0.000 0.894 236 D CB 0.044 40.982 40.800 0.230 0.000 0.909 236 D HN 0.211 nan 8.370 nan 0.000 0.520 237 A N -0.034 122.848 122.820 0.103 0.000 2.387 237 A HA 0.098 4.433 4.320 0.025 0.000 0.234 237 A C 1.715 179.295 177.584 -0.007 0.000 1.253 237 A CA -0.154 51.926 52.037 0.072 0.000 0.894 237 A CB -0.003 18.913 19.000 -0.141 0.000 0.963 237 A HN 0.024 nan 8.150 nan 0.000 0.508 238 E N 0.118 120.314 120.200 -0.008 0.000 2.085 238 E HA -0.162 4.203 4.350 0.025 0.000 0.194 238 E C 2.100 178.603 176.600 -0.162 0.000 0.994 238 E CA 1.126 57.504 56.400 -0.037 0.000 0.801 238 E CB -0.169 29.549 29.700 0.030 0.000 0.743 238 E HN 0.617 nan 8.360 nan 0.000 0.453 239 G N 1.398 109.920 108.800 -0.464 0.000 2.433 239 G HA2 -0.261 3.714 3.960 0.025 0.000 0.216 239 G HA3 -0.261 3.714 3.960 0.025 0.000 0.216 239 G C 1.532 176.047 174.900 -0.642 0.000 1.186 239 G CA 0.721 45.174 45.100 -1.078 0.000 0.779 239 G HN 0.188 nan 8.290 nan 0.000 0.543 240 L N 0.815 121.592 121.223 -0.743 0.000 2.013 240 L HA -0.058 4.297 4.340 0.025 0.000 0.212 240 L C 2.811 179.512 176.870 -0.282 0.000 1.073 240 L CA 1.982 56.286 54.840 -0.894 0.000 0.753 240 L CB -0.646 41.056 42.059 -0.596 0.000 0.890 240 L HN 0.167 nan 8.230 nan 0.000 0.432 241 R N -0.604 119.834 120.500 -0.103 0.000 2.152 241 R HA -0.072 4.283 4.340 0.025 0.000 0.232 241 R C 2.220 178.552 176.300 0.054 0.000 1.117 241 R CA 1.048 57.169 56.100 0.034 0.000 0.981 241 R CB -0.545 29.779 30.300 0.041 0.000 0.870 241 R HN 0.582 nan 8.270 nan 0.000 0.451 242 A N 0.340 123.197 122.820 0.062 0.000 1.929 242 A HA -0.111 4.224 4.320 0.025 0.000 0.216 242 A C 1.772 179.456 177.584 0.166 0.000 1.176 242 A CA 0.950 53.056 52.037 0.115 0.000 0.628 242 A CB -0.416 18.677 19.000 0.155 0.000 0.816 242 A HN 0.172 nan 8.150 nan 0.000 0.444 243 F N 0.262 120.225 119.950 0.022 0.000 2.113 243 F HA -0.052 4.490 4.527 0.026 0.000 0.297 243 F C 2.778 178.656 175.800 0.130 0.000 1.103 243 F CA 1.126 59.193 58.000 0.111 0.000 1.248 243 F CB -0.526 38.483 39.000 0.014 0.000 0.999 243 F HN 0.241 nan 8.300 nan 0.000 0.475 244 A N -0.335 122.614 122.820 0.215 0.000 2.070 244 A HA -0.048 4.287 4.320 0.025 0.000 0.220 244 A C 2.299 179.912 177.584 0.049 0.000 1.159 244 A CA 1.526 53.615 52.037 0.086 0.000 0.656 244 A CB -1.180 17.800 19.000 -0.034 0.000 0.800 244 A HN 0.321 nan 8.150 nan 0.000 0.453 245 A N -1.107 121.753 122.820 0.067 0.000 1.968 245 A HA 0.098 4.433 4.320 0.025 0.000 0.217 245 A C 2.095 179.698 177.584 0.032 0.000 1.169 245 A CA 1.553 53.608 52.037 0.031 0.000 0.638 245 A CB -0.293 18.726 19.000 0.031 0.000 0.812 245 A HN 0.512 nan 8.150 nan 0.000 0.446 246 M N -1.522 118.121 119.600 0.070 0.000 2.491 246 M HA 0.157 4.653 4.480 0.025 0.000 0.259 246 M C -0.011 176.281 176.300 -0.013 0.000 1.163 246 M CA 0.183 55.490 55.300 0.010 0.000 1.109 246 M CB 0.279 32.852 32.600 -0.044 0.000 1.353 246 M HN 0.310 nan 8.290 nan 0.000 0.500 247 H N 0.535 119.629 119.070 0.040 0.000 2.481 247 H HA 0.225 4.796 4.556 0.025 0.000 0.339 247 H C 0.296 175.656 175.328 0.053 0.000 1.131 247 H CA -0.132 55.963 56.048 0.079 0.000 1.301 247 H CB 1.532 31.406 29.762 0.186 0.000 1.476 247 H HN -0.034 nan 8.280 nan 0.000 0.529 248 K N 1.504 121.988 120.400 0.140 0.000 2.314 248 K HA 0.065 4.401 4.320 0.025 0.000 0.198 248 K C -0.082 176.593 176.600 0.125 0.000 1.045 248 K CA 0.727 57.068 56.287 0.091 0.000 0.988 248 K CB 0.586 33.120 32.500 0.057 0.000 0.783 248 K HN 0.685 nan 8.250 nan 0.000 0.484 249 E N 0.661 120.983 120.200 0.204 0.000 2.308 249 E HA 0.484 4.849 4.350 0.025 0.000 0.275 249 E C -0.985 175.772 176.600 0.261 0.000 0.890 249 E CA -0.630 55.894 56.400 0.206 0.000 0.754 249 E CB 2.244 32.067 29.700 0.205 0.000 1.207 249 E HN -0.007 nan 8.360 nan 0.000 0.426 250 L N -0.901 120.455 121.223 0.222 0.000 2.724 250 L HA 0.668 5.023 4.340 0.025 0.000 0.258 250 L C -1.683 175.327 176.870 0.234 0.000 0.967 250 L CA -0.962 54.024 54.840 0.244 0.000 0.891 250 L CB 1.409 43.608 42.059 0.234 0.000 1.456 250 L HN 0.516 nan 8.230 nan 0.000 0.416 251 I N 2.144 122.870 120.570 0.259 0.000 2.569 251 I HA 0.743 4.928 4.170 0.025 0.000 0.296 251 I C -1.003 175.276 176.117 0.270 0.000 1.028 251 I CA -1.163 60.282 61.300 0.240 0.000 1.082 251 I CB 2.299 40.441 38.000 0.237 0.000 1.264 251 I HN 0.541 nan 8.210 nan 0.000 0.429 252 V N 5.297 125.355 119.914 0.240 0.000 2.623 252 V HA 0.837 4.973 4.120 0.025 0.000 0.304 252 V C -0.842 175.366 176.094 0.189 0.000 1.054 252 V CA -0.199 62.247 62.300 0.243 0.000 0.882 252 V CB 1.702 33.656 31.823 0.217 0.000 1.002 252 V HN 0.806 nan 8.190 nan 0.000 0.424 253 A N 5.353 128.293 122.820 0.200 0.000 2.256 253 A HA 0.865 5.200 4.320 0.025 0.000 0.317 253 A C 0.154 177.811 177.584 0.120 0.000 1.318 253 A CA 0.089 52.219 52.037 0.154 0.000 0.894 253 A CB 0.700 19.804 19.000 0.173 0.000 1.165 253 A HN 1.608 nan 8.150 nan 0.000 0.525 254 S N 1.513 117.236 115.700 0.039 0.000 2.648 254 S HA 0.865 5.350 4.470 0.025 0.000 0.305 254 S C -0.135 174.365 174.600 -0.166 0.000 1.094 254 S CA -0.545 57.618 58.200 -0.061 0.000 0.983 254 S CB 1.814 64.896 63.200 -0.198 0.000 1.101 254 S HN 0.990 nan 8.310 nan 0.000 0.514 255 S N -0.379 115.156 115.700 -0.275 0.000 2.570 255 S HA 0.646 5.131 4.470 0.025 0.000 0.286 255 S C -1.611 172.756 174.600 -0.390 0.000 1.099 255 S CA -0.566 57.475 58.200 -0.265 0.000 0.913 255 S CB 0.884 63.965 63.200 -0.199 0.000 1.085 255 S HN 0.704 nan 8.310 nan 0.000 0.480 256 Y N 1.534 121.817 120.300 -0.029 0.000 2.696 256 Y HA 0.325 4.893 4.550 0.029 0.000 0.260 256 Y C 1.895 177.785 175.900 -0.016 0.000 1.165 256 Y CA -0.262 57.841 58.100 0.005 0.000 1.189 256 Y CB 0.358 38.728 38.460 -0.150 0.000 1.180 256 Y HN 0.553 nan 8.280 nan 0.000 0.538 257 S N -0.104 115.603 115.700 0.013 0.000 2.387 257 S HA -0.110 4.375 4.470 0.025 0.000 0.226 257 S C 1.730 176.116 174.600 -0.356 0.000 1.026 257 S CA 1.363 59.482 58.200 -0.135 0.000 0.972 257 S CB 0.128 63.306 63.200 -0.038 0.000 0.814 257 S HN 0.361 nan 8.310 nan 0.000 0.477 258 K N 1.982 122.324 120.400 -0.097 0.000 2.121 258 K HA 0.133 4.468 4.320 0.025 0.000 0.203 258 K C 1.636 178.437 176.600 0.335 0.000 1.041 258 K CA 0.948 57.260 56.287 0.042 0.000 0.969 258 K CB -0.273 32.207 32.500 -0.033 0.000 0.799 258 K HN 0.511 nan 8.250 nan 0.000 0.456 259 N N -0.327 118.664 118.700 0.483 0.000 2.573 259 N HA -0.097 4.658 4.740 0.025 0.000 0.187 259 N C 0.496 176.192 175.510 0.310 0.000 1.107 259 N CA 0.690 53.999 53.050 0.431 0.000 0.918 259 N CB 0.073 38.804 38.487 0.406 0.000 0.966 259 N HN 0.075 nan 8.380 nan 0.000 0.448 260 F N -0.426 119.632 119.950 0.179 0.000 2.798 260 F HA 0.359 4.898 4.527 0.020 0.000 0.328 260 F C 1.406 177.175 175.800 -0.052 0.000 1.098 260 F CA -0.137 57.908 58.000 0.075 0.000 1.172 260 F CB 1.017 39.965 39.000 -0.087 0.000 1.072 260 F HN 0.079 nan 8.300 nan 0.000 0.555 261 G N 1.551 110.319 108.800 -0.053 0.000 2.296 261 G HA2 -0.324 3.652 3.960 0.025 0.000 0.282 261 G HA3 -0.324 3.652 3.960 0.025 0.000 0.282 261 G C 0.600 175.322 174.900 -0.298 0.000 1.014 261 G CA 0.504 45.424 45.100 -0.300 0.000 0.812 261 G HN 0.415 nan 8.290 nan 0.000 0.508 262 L N -0.283 120.784 121.223 -0.261 0.000 2.851 262 L HA 0.269 4.624 4.340 0.025 0.000 0.237 262 L C 2.134 178.955 176.870 -0.082 0.000 1.257 262 L CA -0.812 53.969 54.840 -0.098 0.000 1.061 262 L CB -0.378 41.662 42.059 -0.033 0.000 1.372 262 L HN 0.294 nan 8.230 nan 0.000 0.493 263 Y N 0.879 121.227 120.300 0.080 0.000 2.003 263 Y HA -0.401 4.163 4.550 0.025 0.000 0.261 263 Y C 2.425 178.340 175.900 0.026 0.000 1.211 263 Y CA 2.106 60.233 58.100 0.044 0.000 1.098 263 Y CB -0.878 37.608 38.460 0.044 0.000 0.925 263 Y HN 0.561 nan 8.280 nan 0.000 0.498 264 N N -0.122 118.697 118.700 0.198 0.000 2.521 264 N HA -0.089 4.666 4.740 0.025 0.000 0.188 264 N C 0.653 176.192 175.510 0.048 0.000 1.146 264 N CA 0.852 53.963 53.050 0.102 0.000 0.893 264 N CB -0.358 38.181 38.487 0.086 0.000 0.975 264 N HN 0.436 nan 8.380 nan 0.000 0.451 265 E N 0.463 120.687 120.200 0.040 0.000 2.472 265 E HA 0.075 4.440 4.350 0.025 0.000 0.196 265 E C -0.310 176.278 176.600 -0.020 0.000 1.033 265 E CA -0.138 56.269 56.400 0.012 0.000 0.886 265 E CB 0.224 29.947 29.700 0.038 0.000 0.944 265 E HN 0.146 nan 8.360 nan 0.000 0.492 266 R N 0.002 120.495 120.500 -0.012 0.000 2.877 266 R HA -0.117 4.238 4.340 0.025 0.000 0.275 266 R C -0.788 175.479 176.300 -0.054 0.000 0.924 266 R CA 0.218 56.298 56.100 -0.033 0.000 0.715 266 R CB -3.012 27.250 30.300 -0.063 0.000 1.761 266 R HN -0.078 nan 8.270 nan 0.000 0.498 267 V N 0.664 120.570 119.914 -0.014 0.000 2.378 267 V HA 0.919 5.055 4.120 0.025 0.000 0.288 267 V C 1.076 177.262 176.094 0.154 0.000 1.016 267 V CA 0.017 62.330 62.300 0.021 0.000 0.840 267 V CB 2.181 34.011 31.823 0.012 0.000 0.994 267 V HN 0.781 nan 8.190 nan 0.000 0.431 268 G N 2.735 111.651 108.800 0.193 0.000 2.663 268 G HA2 0.919 4.894 3.960 0.025 0.000 0.299 268 G HA3 0.919 4.894 3.960 0.025 0.000 0.299 268 G C -1.507 173.570 174.900 0.294 0.000 1.372 268 G CA -0.130 45.081 45.100 0.186 0.000 0.781 268 G HN 1.215 nan 8.290 nan 0.000 0.491 269 A N -1.628 121.304 122.820 0.187 0.000 2.589 269 A HA 0.617 4.952 4.320 0.025 0.000 0.296 269 A C -1.242 176.430 177.584 0.146 0.000 1.062 269 A CA -0.271 51.902 52.037 0.227 0.000 0.686 269 A CB 1.382 20.516 19.000 0.222 0.000 1.282 269 A HN 1.829 nan 8.150 nan 0.000 0.404 270 C N 2.214 121.620 119.300 0.177 0.000 2.291 270 C HA 0.753 5.228 4.460 0.025 0.000 0.322 270 C C 0.106 175.197 174.990 0.167 0.000 1.205 270 C CA 0.032 59.147 59.018 0.161 0.000 1.495 270 C CB -0.681 27.155 27.740 0.160 0.000 2.127 270 C HN 0.782 nan 8.230 nan 0.000 0.452 271 T N 6.684 121.321 114.554 0.138 0.000 2.749 271 T HA 0.425 4.790 4.350 0.025 0.000 0.287 271 T C -0.486 174.306 174.700 0.153 0.000 0.970 271 T CA -0.183 61.999 62.100 0.136 0.000 0.980 271 T CB 0.992 69.939 68.868 0.131 0.000 0.924 271 T HN 0.567 nan 8.240 nan 0.000 0.456 272 L N 5.362 126.652 121.223 0.112 0.000 2.282 272 L HA 0.636 4.991 4.340 0.025 0.000 0.288 272 L C -0.856 176.057 176.870 0.073 0.000 1.033 272 L CA -0.328 54.568 54.840 0.093 0.000 0.807 272 L CB 1.137 43.251 42.059 0.091 0.000 1.209 272 L HN 0.417 nan 8.230 nan 0.000 0.423 273 V N 4.934 124.905 119.914 0.095 0.000 2.540 273 V HA 0.919 5.054 4.120 0.025 0.000 0.302 273 V C 0.025 176.165 176.094 0.076 0.000 1.035 273 V CA -0.237 62.091 62.300 0.046 0.000 0.873 273 V CB 1.210 33.037 31.823 0.007 0.000 0.992 273 V HN 0.960 nan 8.190 nan 0.000 0.428 274 A N 3.260 126.110 122.820 0.051 0.000 2.437 274 A HA 0.923 5.258 4.320 0.025 0.000 0.288 274 A C 1.108 178.718 177.584 0.043 0.000 1.201 274 A CA 0.080 52.161 52.037 0.073 0.000 0.795 274 A CB 1.237 20.289 19.000 0.087 0.000 1.359 274 A HN 1.151 nan 8.150 nan 0.000 0.435 275 A N -0.508 122.342 122.820 0.049 0.000 1.972 275 A HA 0.238 4.573 4.320 0.025 0.000 0.219 275 A C 0.562 178.154 177.584 0.013 0.000 1.169 275 A CA 2.288 54.343 52.037 0.030 0.000 0.635 275 A CB -0.655 18.366 19.000 0.034 0.000 0.810 275 A HN 1.039 nan 8.150 nan 0.000 0.446 276 D N -3.978 116.432 120.400 0.017 0.000 2.643 276 D HA 0.300 4.955 4.640 0.025 0.000 0.283 276 D C 0.695 177.001 176.300 0.010 0.000 1.242 276 D CA 0.171 54.176 54.000 0.007 0.000 0.863 276 D CB 0.256 41.062 40.800 0.010 0.000 1.382 276 D HN 0.046 nan 8.370 nan 0.000 0.444 277 S N -0.637 115.065 115.700 0.002 0.000 2.356 277 S HA -0.244 4.241 4.470 0.025 0.000 0.223 277 S C 1.466 176.078 174.600 0.020 0.000 1.032 277 S CA 1.361 59.562 58.200 0.002 0.000 1.005 277 S CB -0.557 62.641 63.200 -0.005 0.000 0.867 277 S HN 0.567 nan 8.310 nan 0.000 0.449 278 E N 1.279 121.494 120.200 0.024 0.000 2.070 278 E HA -0.158 4.207 4.350 0.025 0.000 0.197 278 E C 2.049 178.680 176.600 0.052 0.000 1.004 278 E CA 1.944 58.365 56.400 0.035 0.000 0.805 278 E CB -0.630 29.088 29.700 0.030 0.000 0.744 278 E HN 0.678 nan 8.360 nan 0.000 0.451 279 T N 0.730 115.316 114.554 0.054 0.000 2.701 279 T HA -0.120 4.245 4.350 0.025 0.000 0.263 279 T C 1.937 176.696 174.700 0.098 0.000 1.040 279 T CA 1.244 63.388 62.100 0.074 0.000 1.147 279 T CB -0.496 68.415 68.868 0.071 0.000 0.865 279 T HN 0.067 nan 8.240 nan 0.000 0.426 280 V N 1.955 121.918 119.914 0.081 0.000 2.469 280 V HA -0.204 3.931 4.120 0.025 0.000 0.251 280 V C 1.935 178.105 176.094 0.127 0.000 1.064 280 V CA 2.031 64.386 62.300 0.092 0.000 1.066 280 V CB -0.623 31.218 31.823 0.031 0.000 0.667 280 V HN 0.379 nan 8.190 nan 0.000 0.461 281 D N -0.346 120.114 120.400 0.100 0.000 2.097 281 D HA -0.145 4.511 4.640 0.025 0.000 0.195 281 D C 2.402 178.802 176.300 0.168 0.000 0.989 281 D CA 1.394 55.471 54.000 0.129 0.000 0.827 281 D CB -0.248 40.602 40.800 0.083 0.000 0.966 281 D HN 0.391 nan 8.370 nan 0.000 0.456 282 R N 0.229 120.810 120.500 0.135 0.000 2.073 282 R HA -0.006 4.349 4.340 0.025 0.000 0.234 282 R C 2.217 178.623 176.300 0.176 0.000 1.134 282 R CA 1.284 57.463 56.100 0.131 0.000 0.952 282 R CB -0.220 30.142 30.300 0.104 0.000 0.850 282 R HN 0.116 nan 8.270 nan 0.000 0.433 283 A N 0.210 123.161 122.820 0.218 0.000 1.902 283 A HA -0.187 4.148 4.320 0.025 0.000 0.217 283 A C 1.938 179.702 177.584 0.299 0.000 1.181 283 A CA 1.086 53.317 52.037 0.323 0.000 0.623 283 A CB -0.626 18.580 19.000 0.343 0.000 0.818 283 A HN 0.352 nan 8.150 nan 0.000 0.443 284 F N 1.930 121.914 119.950 0.056 0.000 2.171 284 F HA -0.182 4.360 4.527 0.024 0.000 0.300 284 F C 2.831 178.648 175.800 0.027 0.000 1.090 284 F CA 1.652 59.644 58.000 -0.014 0.000 1.293 284 F CB -0.361 38.632 39.000 -0.011 0.000 1.013 284 F HN 0.347 nan 8.300 nan 0.000 0.486 285 S N -0.633 115.116 115.700 0.082 0.000 2.400 285 S HA -0.244 4.241 4.470 0.025 0.000 0.232 285 S C 1.891 176.471 174.600 -0.033 0.000 1.025 285 S CA 1.176 59.375 58.200 -0.001 0.000 0.993 285 S CB -0.594 62.642 63.200 0.061 0.000 0.808 285 S HN 0.459 nan 8.310 nan 0.000 0.478 286 Q N 0.476 120.313 119.800 0.063 0.000 2.172 286 Q HA 0.136 4.491 4.340 0.025 0.000 0.200 286 Q C 2.121 178.190 176.000 0.116 0.000 0.964 286 Q CA 1.204 57.081 55.803 0.123 0.000 0.855 286 Q CB -0.426 28.456 28.738 0.240 0.000 0.918 286 Q HN 0.742 nan 8.270 nan 0.000 0.444 287 M N 0.547 120.140 119.600 -0.010 0.000 2.132 287 M HA -0.172 4.323 4.480 0.025 0.000 0.263 287 M C 1.643 177.766 176.300 -0.296 0.000 1.065 287 M CA 1.527 56.705 55.300 -0.202 0.000 1.122 287 M CB 0.113 32.358 32.600 -0.591 0.000 1.365 287 M HN -0.042 nan 8.290 nan 0.000 0.411 288 K N 0.098 120.236 120.400 -0.438 0.000 2.148 288 K HA -0.056 4.279 4.320 0.025 0.000 0.204 288 K C 1.898 178.378 176.600 -0.200 0.000 1.050 288 K CA 1.224 57.300 56.287 -0.352 0.000 0.942 288 K CB -0.248 32.047 32.500 -0.343 0.000 0.724 288 K HN 0.432 nan 8.250 nan 0.000 0.446 289 A N 1.302 124.044 122.820 -0.131 0.000 1.969 289 A HA -0.046 4.289 4.320 0.025 0.000 0.218 289 A C 2.305 179.842 177.584 -0.079 0.000 1.169 289 A CA 1.619 53.607 52.037 -0.081 0.000 0.635 289 A CB -0.492 18.488 19.000 -0.033 0.000 0.810 289 A HN 0.308 nan 8.150 nan 0.000 0.445 290 A N -0.344 122.440 122.820 -0.061 0.000 1.968 290 A HA 0.065 4.400 4.320 0.025 0.000 0.217 290 A C 2.031 179.537 177.584 -0.131 0.000 1.169 290 A CA 1.240 53.251 52.037 -0.043 0.000 0.638 290 A CB -0.454 18.573 19.000 0.044 0.000 0.812 290 A HN 0.476 nan 8.150 nan 0.000 0.446 291 I N -1.144 119.294 120.570 -0.221 0.000 2.286 291 I HA -0.151 4.034 4.170 0.025 0.000 0.245 291 I C 2.569 178.406 176.117 -0.467 0.000 1.104 291 I CA 1.119 62.153 61.300 -0.444 0.000 1.397 291 I CB -0.138 37.610 38.000 -0.420 0.000 1.072 291 I HN 0.209 nan 8.210 nan 0.000 0.417 292 R N 1.901 122.233 120.500 -0.281 0.000 2.127 292 R HA -0.091 4.264 4.340 0.025 0.000 0.238 292 R C 1.893 178.098 176.300 -0.158 0.000 1.134 292 R CA 1.886 57.862 56.100 -0.206 0.000 0.975 292 R CB -0.692 29.522 30.300 -0.143 0.000 0.865 292 R HN 0.350 nan 8.270 nan 0.000 0.447 293 A N -0.358 122.383 122.820 -0.133 0.000 2.218 293 A HA 0.074 4.409 4.320 0.025 0.000 0.209 293 A C 1.663 179.205 177.584 -0.070 0.000 1.168 293 A CA 0.679 52.668 52.037 -0.080 0.000 0.804 293 A CB -0.359 18.610 19.000 -0.052 0.000 0.834 293 A HN 0.392 nan 8.150 nan 0.000 0.482 294 N N -0.573 118.051 118.700 -0.127 0.000 2.531 294 N HA 0.026 4.781 4.740 0.025 0.000 0.223 294 N C 1.009 176.519 175.510 0.000 0.000 1.023 294 N CA 1.681 54.696 53.050 -0.059 0.000 1.124 294 N CB -0.054 38.394 38.487 -0.065 0.000 1.427 294 N HN 0.473 nan 8.380 nan 0.000 0.558 295 Y N -1.980 118.318 120.300 -0.003 0.000 2.527 295 Y HA 0.617 5.183 4.550 0.026 0.000 0.247 295 Y C 1.032 176.928 175.900 -0.007 0.000 1.138 295 Y CA -0.008 58.092 58.100 -0.000 0.000 1.228 295 Y CB 0.285 38.749 38.460 0.007 0.000 1.252 295 Y HN -0.020 nan 8.280 nan 0.000 0.531 296 S N 0.410 116.003 115.700 -0.179 0.000 3.186 296 S HA -0.278 4.207 4.470 0.025 0.000 0.249 296 S C -0.346 174.203 174.600 -0.086 0.000 1.453 296 S CA 1.654 59.782 58.200 -0.121 0.000 3.213 296 S CB -1.498 61.670 63.200 -0.054 0.000 0.764 296 S HN 0.879 nan 8.310 nan 0.000 0.474 297 N N 2.229 121.001 118.700 0.120 0.000 2.591 297 N HA 0.693 5.448 4.740 0.025 0.000 0.263 297 N C -3.449 172.268 175.510 0.346 0.000 1.308 297 N CA -1.588 51.572 53.050 0.182 0.000 0.837 297 N CB 1.311 39.870 38.487 0.120 0.000 1.548 297 N HN 0.320 nan 8.380 nan 0.000 0.493 298 P HA 0.371 nan 4.420 nan 0.000 0.278 298 P C -2.659 174.639 177.300 -0.004 0.000 1.258 298 P CA -1.392 61.759 63.100 0.085 0.000 0.811 298 P CB 0.053 31.773 31.700 0.033 0.000 1.063 299 P HA 0.086 nan 4.420 nan 0.000 0.271 299 P C 0.446 177.691 177.300 -0.093 0.000 1.233 299 P CA 0.062 63.122 63.100 -0.067 0.000 0.764 299 P CB 0.615 32.263 31.700 -0.087 0.000 0.825 300 A N 3.866 126.650 122.820 -0.059 0.000 1.873 300 A HA -0.207 4.128 4.320 0.025 0.000 0.215 300 A C 2.224 179.751 177.584 -0.095 0.000 1.186 300 A CA 1.142 53.126 52.037 -0.088 0.000 0.616 300 A CB -1.619 17.349 19.000 -0.053 0.000 0.823 300 A HN 0.699 nan 8.150 nan 0.000 0.442 301 H N -0.229 118.774 119.070 -0.111 0.000 2.306 301 H HA -0.234 4.321 4.556 -0.002 0.000 0.289 301 H C 2.366 177.615 175.328 -0.131 0.000 1.081 301 H CA 2.527 58.515 56.048 -0.100 0.000 1.163 301 H CB -0.725 28.993 29.762 -0.073 0.000 1.357 301 H HN 0.412 nan 8.280 nan 0.000 0.524 302 G N -0.322 108.465 108.800 -0.021 0.000 2.475 302 G HA2 -0.227 3.748 3.960 0.025 0.000 0.220 302 G HA3 -0.227 3.748 3.960 0.025 0.000 0.220 302 G C 1.880 176.612 174.900 -0.279 0.000 1.125 302 G CA 1.294 46.322 45.100 -0.120 0.000 0.755 302 G HN 0.621 nan 8.290 nan 0.000 0.565 303 A N 0.368 122.983 122.820 -0.342 0.000 1.970 303 A HA 0.175 4.510 4.320 0.025 0.000 0.216 303 A C 2.659 180.039 177.584 -0.341 0.000 1.170 303 A CA 1.881 53.611 52.037 -0.513 0.000 0.645 303 A CB -0.343 18.134 19.000 -0.871 0.000 0.816 303 A HN 0.278 nan 8.150 nan 0.000 0.447 304 S N -0.314 115.214 115.700 -0.286 0.000 2.383 304 S HA -0.106 4.379 4.470 0.025 0.000 0.227 304 S C 1.873 176.330 174.600 -0.238 0.000 1.026 304 S CA 1.318 59.389 58.200 -0.216 0.000 0.981 304 S CB -0.319 62.762 63.200 -0.197 0.000 0.818 304 S HN 0.340 nan 8.310 nan 0.000 0.472 305 V N 1.445 121.173 119.914 -0.310 0.000 2.295 305 V HA -0.141 3.994 4.120 0.025 0.000 0.246 305 V C 2.315 178.207 176.094 -0.337 0.000 1.049 305 V CA 1.482 63.611 62.300 -0.285 0.000 1.024 305 V CB -0.715 30.949 31.823 -0.266 0.000 0.648 305 V HN 0.339 nan 8.190 nan 0.000 0.447 306 V N 0.320 119.931 119.914 -0.505 0.000 2.343 306 V HA -0.259 3.876 4.120 0.025 0.000 0.247 306 V C 2.690 178.485 176.094 -0.499 0.000 1.051 306 V CA 2.070 63.880 62.300 -0.817 0.000 1.036 306 V CB -1.170 29.957 31.823 -1.159 0.000 0.654 306 V HN 0.561 nan 8.190 nan 0.000 0.451 307 A N 0.794 123.454 122.820 -0.267 0.000 1.898 307 A HA -0.221 4.114 4.320 0.025 0.000 0.216 307 A C 2.516 179.994 177.584 -0.176 0.000 1.181 307 A CA 2.513 54.448 52.037 -0.170 0.000 0.620 307 A CB -0.994 17.977 19.000 -0.047 0.000 0.819 307 A HN 0.646 nan 8.150 nan 0.000 0.442 308 T N -1.588 112.855 114.554 -0.184 0.000 2.821 308 T HA -0.044 4.321 4.350 0.025 0.000 0.267 308 T C 1.826 176.405 174.700 -0.201 0.000 1.046 308 T CA 1.430 63.408 62.100 -0.203 0.000 1.139 308 T CB -0.539 68.198 68.868 -0.217 0.000 0.871 308 T HN 0.340 nan 8.240 nan 0.000 0.454 309 I N 0.233 120.698 120.570 -0.175 0.000 2.252 309 I HA -0.040 4.145 4.170 0.025 0.000 0.245 309 I C 2.278 178.342 176.117 -0.088 0.000 1.102 309 I CA 0.759 61.996 61.300 -0.105 0.000 1.385 309 I CB -0.301 37.677 38.000 -0.037 0.000 1.064 309 I HN 0.190 nan 8.210 nan 0.000 0.414 310 L N 0.065 121.202 121.223 -0.143 0.000 2.156 310 L HA -0.074 4.281 4.340 0.025 0.000 0.208 310 L C 2.419 179.238 176.870 -0.085 0.000 1.095 310 L CA 1.595 56.368 54.840 -0.111 0.000 0.770 310 L CB -0.726 41.220 42.059 -0.189 0.000 0.914 310 L HN 0.068 nan 8.230 nan 0.000 0.439 311 S N -1.143 114.493 115.700 -0.108 0.000 2.561 311 S HA -0.012 4.473 4.470 0.025 0.000 0.225 311 S C 0.797 175.346 174.600 -0.086 0.000 0.977 311 S CA 0.079 58.225 58.200 -0.091 0.000 0.926 311 S CB -0.516 62.625 63.200 -0.098 0.000 0.769 311 S HN 0.461 nan 8.310 nan 0.000 0.533 312 N N 0.720 119.365 118.700 -0.092 0.000 2.443 312 N HA 0.226 4.981 4.740 0.025 0.000 0.269 312 N C -0.037 175.447 175.510 -0.044 0.000 0.985 312 N CA -0.254 52.743 53.050 -0.087 0.000 0.921 312 N CB 1.118 39.520 38.487 -0.141 0.000 1.195 312 N HN -0.266 nan 8.380 nan 0.000 0.492 313 D N 2.473 122.853 120.400 -0.034 0.000 2.160 313 D HA -0.239 4.416 4.640 0.025 0.000 0.189 313 D C 1.695 177.989 176.300 -0.010 0.000 1.003 313 D CA 2.114 56.104 54.000 -0.017 0.000 0.846 313 D CB -0.028 40.761 40.800 -0.018 0.000 0.949 313 D HN 0.685 nan 8.370 nan 0.000 0.446 314 A N -0.248 122.561 122.820 -0.018 0.000 1.877 314 A HA -0.133 4.202 4.320 0.025 0.000 0.216 314 A C 2.084 179.667 177.584 -0.001 0.000 1.186 314 A CA 1.010 53.040 52.037 -0.012 0.000 0.620 314 A CB -0.754 18.237 19.000 -0.016 0.000 0.822 314 A HN 0.214 nan 8.150 nan 0.000 0.443 315 L N -0.183 121.036 121.223 -0.007 0.000 2.017 315 L HA -0.121 4.234 4.340 0.025 0.000 0.208 315 L C 2.563 179.481 176.870 0.080 0.000 1.073 315 L CA 2.156 57.005 54.840 0.015 0.000 0.745 315 L CB -0.996 41.045 42.059 -0.030 0.000 0.894 315 L HN 0.529 nan 8.230 nan 0.000 0.432 316 R N -0.607 119.943 120.500 0.083 0.000 2.073 316 R HA -0.184 4.171 4.340 0.025 0.000 0.234 316 R C 2.170 178.562 176.300 0.153 0.000 1.134 316 R CA 1.545 57.758 56.100 0.187 0.000 0.952 316 R CB -0.240 30.141 30.300 0.135 0.000 0.850 316 R HN 0.341 nan 8.270 nan 0.000 0.433 317 A N 1.177 124.028 122.820 0.051 0.000 1.908 317 A HA -0.171 4.164 4.320 0.025 0.000 0.218 317 A C 2.181 179.739 177.584 -0.043 0.000 1.181 317 A CA 1.651 53.680 52.037 -0.013 0.000 0.627 317 A CB -0.540 18.448 19.000 -0.020 0.000 0.818 317 A HN 0.401 nan 8.150 nan 0.000 0.445 318 I N -2.524 118.043 120.570 -0.006 0.000 2.252 318 I HA -0.249 3.936 4.170 0.025 0.000 0.245 318 I C 2.410 178.498 176.117 -0.048 0.000 1.102 318 I CA 1.551 62.838 61.300 -0.023 0.000 1.385 318 I CB -0.374 37.632 38.000 0.010 0.000 1.064 318 I HN 0.734 nan 8.210 nan 0.000 0.414 319 W N 2.461 123.676 121.300 -0.141 0.000 2.355 319 W HA -0.193 4.482 4.660 0.025 0.000 0.309 319 W C 2.323 178.684 176.519 -0.263 0.000 1.206 319 W CA 1.496 58.705 57.345 -0.227 0.000 1.284 319 W CB -0.327 28.968 29.460 -0.275 0.000 1.145 319 W HN 0.071 nan 8.180 nan 0.000 0.502 320 E N -0.255 119.532 120.200 -0.689 0.000 2.160 320 E HA -0.315 4.051 4.350 0.025 0.000 0.195 320 E C 1.958 178.174 176.600 -0.639 0.000 0.991 320 E CA 1.574 57.434 56.400 -0.900 0.000 0.810 320 E CB -0.328 29.086 29.700 -0.476 0.000 0.742 320 E HN 0.283 nan 8.360 nan 0.000 0.466 321 Q N 1.267 120.821 119.800 -0.410 0.000 2.083 321 Q HA -0.131 4.224 4.340 0.025 0.000 0.198 321 Q C 1.632 177.439 176.000 -0.321 0.000 0.969 321 Q CA 1.414 57.037 55.803 -0.299 0.000 0.838 321 Q CB 0.088 28.715 28.738 -0.185 0.000 0.900 321 Q HN 0.268 nan 8.270 nan 0.000 0.436 322 E N -0.216 119.780 120.200 -0.339 0.000 2.110 322 E HA -0.195 4.170 4.350 0.025 0.000 0.193 322 E C 1.871 178.219 176.600 -0.420 0.000 0.988 322 E CA 1.115 57.337 56.400 -0.297 0.000 0.804 322 E CB -0.212 29.358 29.700 -0.217 0.000 0.745 322 E HN 0.273 nan 8.360 nan 0.000 0.458 323 L N 1.218 122.052 121.223 -0.648 0.000 2.017 323 L HA -0.159 4.196 4.340 0.025 0.000 0.208 323 L C 2.662 179.180 176.870 -0.586 0.000 1.073 323 L CA 2.429 56.830 54.840 -0.731 0.000 0.745 323 L CB -0.948 40.482 42.059 -1.048 0.000 0.894 323 L HN 0.168 nan 8.230 nan 0.000 0.432 324 T N -3.530 110.735 114.554 -0.482 0.000 2.962 324 T HA -0.155 4.210 4.350 0.025 0.000 0.270 324 T C 1.644 176.196 174.700 -0.246 0.000 1.088 324 T CA 1.362 63.260 62.100 -0.337 0.000 1.127 324 T CB -0.531 68.178 68.868 -0.265 0.000 0.883 324 T HN 0.382 nan 8.240 nan 0.000 0.493 325 D N 0.734 120.989 120.400 -0.241 0.000 2.149 325 D HA 0.072 4.727 4.640 0.025 0.000 0.201 325 D C 2.111 178.338 176.300 -0.121 0.000 0.972 325 D CA 0.970 54.882 54.000 -0.146 0.000 0.835 325 D CB -0.197 40.533 40.800 -0.117 0.000 0.966 325 D HN 0.490 nan 8.370 nan 0.000 0.476 326 M N 0.127 119.571 119.600 -0.259 0.000 2.099 326 M HA -0.116 4.379 4.480 0.025 0.000 0.262 326 M C 2.373 178.643 176.300 -0.051 0.000 1.067 326 M CA 1.154 56.264 55.300 -0.316 0.000 1.124 326 M CB -0.173 31.998 32.600 -0.714 0.000 1.353 326 M HN -0.125 nan 8.290 nan 0.000 0.410 327 R N 0.661 121.056 120.500 -0.176 0.000 2.080 327 R HA -0.209 4.146 4.340 0.025 0.000 0.236 327 R C 2.080 178.393 176.300 0.021 0.000 1.137 327 R CA 2.020 58.091 56.100 -0.050 0.000 0.943 327 R CB -0.213 29.985 30.300 -0.170 0.000 0.846 327 R HN 0.470 nan 8.270 nan 0.000 0.431 328 Q N -0.432 119.354 119.800 -0.023 0.000 2.124 328 Q HA -0.181 4.174 4.340 0.025 0.000 0.202 328 Q C 2.255 178.281 176.000 0.043 0.000 0.977 328 Q CA 1.480 57.285 55.803 0.003 0.000 0.850 328 Q CB -0.154 28.570 28.738 -0.024 0.000 0.901 328 Q HN 0.328 nan 8.270 nan 0.000 0.429 329 R N 0.792 121.340 120.500 0.080 0.000 2.075 329 R HA -0.113 4.242 4.340 0.025 0.000 0.232 329 R C 2.118 178.484 176.300 0.110 0.000 1.126 329 R CA 1.032 57.198 56.100 0.110 0.000 0.963 329 R CB -0.129 30.284 30.300 0.188 0.000 0.858 329 R HN 0.237 nan 8.270 nan 0.000 0.435 330 I N 1.003 121.668 120.570 0.158 0.000 2.163 330 I HA -0.324 3.862 4.170 0.025 0.000 0.243 330 I C 2.382 178.542 176.117 0.072 0.000 1.085 330 I CA 1.517 62.888 61.300 0.118 0.000 1.347 330 I CB -0.403 37.693 38.000 0.160 0.000 1.044 330 I HN 0.297 nan 8.210 nan 0.000 0.408 331 Q N 0.250 120.095 119.800 0.074 0.000 2.234 331 Q HA -0.200 4.155 4.340 0.025 0.000 0.206 331 Q C 2.261 178.290 176.000 0.049 0.000 0.980 331 Q CA 1.080 56.917 55.803 0.058 0.000 0.869 331 Q CB -0.109 28.658 28.738 0.049 0.000 0.912 331 Q HN 0.425 nan 8.270 nan 0.000 0.436 332 R N -0.220 120.307 120.500 0.045 0.000 2.100 332 R HA 0.073 4.428 4.340 0.025 0.000 0.220 332 R C 2.022 178.345 176.300 0.039 0.000 1.091 332 R CA 0.734 56.856 56.100 0.037 0.000 0.986 332 R CB -0.354 29.965 30.300 0.031 0.000 0.888 332 R HN 0.298 nan 8.270 nan 0.000 0.444 333 M N 1.009 120.630 119.600 0.035 0.000 2.132 333 M HA -0.108 4.387 4.480 0.025 0.000 0.263 333 M C 2.168 178.501 176.300 0.055 0.000 1.065 333 M CA 1.621 56.935 55.300 0.024 0.000 1.122 333 M CB -0.767 31.825 32.600 -0.014 0.000 1.365 333 M HN 0.154 nan 8.290 nan 0.000 0.411 334 R N -0.321 120.215 120.500 0.061 0.000 2.090 334 R HA -0.114 4.241 4.340 0.025 0.000 0.228 334 R C 1.981 178.364 176.300 0.139 0.000 1.110 334 R CA 1.294 57.465 56.100 0.119 0.000 0.973 334 R CB -0.611 29.745 30.300 0.093 0.000 0.869 334 R HN 0.330 nan 8.270 nan 0.000 0.440 335 Q N 0.681 120.530 119.800 0.081 0.000 2.079 335 Q HA -0.092 4.263 4.340 0.025 0.000 0.200 335 Q C 2.062 178.089 176.000 0.045 0.000 0.974 335 Q CA 1.502 57.336 55.803 0.052 0.000 0.840 335 Q CB -0.068 28.692 28.738 0.037 0.000 0.898 335 Q HN 0.302 nan 8.270 nan 0.000 0.430 336 L N -0.244 121.014 121.223 0.059 0.000 2.083 336 L HA -0.131 4.224 4.340 0.025 0.000 0.209 336 L C 1.884 178.799 176.870 0.075 0.000 1.083 336 L CA 1.534 56.404 54.840 0.049 0.000 0.752 336 L CB -0.602 41.485 42.059 0.047 0.000 0.899 336 L HN 0.237 nan 8.230 nan 0.000 0.433 337 F N -0.520 119.389 119.950 -0.068 0.000 2.069 337 F HA -0.204 4.338 4.527 0.026 0.000 0.298 337 F C 2.242 177.961 175.800 -0.136 0.000 1.113 337 F CA 2.044 59.980 58.000 -0.105 0.000 1.214 337 F CB -0.837 38.101 39.000 -0.105 0.000 0.978 337 F HN -0.068 nan 8.300 nan 0.000 0.474 338 V N 0.960 120.756 119.914 -0.197 0.000 2.343 338 V HA -0.343 3.792 4.120 0.025 0.000 0.247 338 V C 2.228 178.191 176.094 -0.219 0.000 1.051 338 V CA 2.194 64.315 62.300 -0.297 0.000 1.036 338 V CB -0.931 30.814 31.823 -0.130 0.000 0.654 338 V HN 0.335 nan 8.190 nan 0.000 0.451 339 N N 0.218 118.847 118.700 -0.118 0.000 2.084 339 N HA -0.130 4.625 4.740 0.025 0.000 0.190 339 N C 1.897 177.347 175.510 -0.100 0.000 1.030 339 N CA 1.969 54.970 53.050 -0.083 0.000 0.849 339 N CB -0.854 37.609 38.487 -0.040 0.000 1.012 339 N HN 0.452 nan 8.380 nan 0.000 0.423 340 T N 1.435 115.924 114.554 -0.107 0.000 2.915 340 T HA 0.037 4.402 4.350 0.025 0.000 0.269 340 T C 2.040 176.642 174.700 -0.164 0.000 1.071 340 T CA 0.467 62.506 62.100 -0.102 0.000 1.132 340 T CB -0.132 68.702 68.868 -0.057 0.000 0.878 340 T HN 0.130 nan 8.240 nan 0.000 0.479 341 L N 0.452 121.501 121.223 -0.289 0.000 2.056 341 L HA -0.084 4.271 4.340 0.025 0.000 0.207 341 L C 3.045 179.801 176.870 -0.190 0.000 1.078 341 L CA 1.262 55.887 54.840 -0.358 0.000 0.749 341 L CB -0.421 41.227 42.059 -0.685 0.000 0.901 341 L HN 0.248 nan 8.230 nan 0.000 0.433 342 Q N -0.260 119.455 119.800 -0.140 0.000 2.046 342 Q HA -0.274 4.081 4.340 0.025 0.000 0.200 342 Q C 2.118 178.086 176.000 -0.053 0.000 0.975 342 Q CA 1.768 57.532 55.803 -0.064 0.000 0.836 342 Q CB -0.015 28.694 28.738 -0.048 0.000 0.896 342 Q HN 0.473 nan 8.270 nan 0.000 0.428 343 E N 0.321 120.484 120.200 -0.062 0.000 2.118 343 E HA -0.217 4.148 4.350 0.025 0.000 0.195 343 E C 1.641 178.214 176.600 -0.045 0.000 0.992 343 E CA 1.082 57.455 56.400 -0.046 0.000 0.804 343 E CB 0.206 29.879 29.700 -0.045 0.000 0.741 343 E HN -0.038 nan 8.360 nan 0.000 0.458 344 K N -1.213 119.148 120.400 -0.065 0.000 2.296 344 K HA 0.026 4.361 4.320 0.025 0.000 0.200 344 K C 0.927 177.498 176.600 -0.048 0.000 1.048 344 K CA 0.908 57.158 56.287 -0.061 0.000 0.966 344 K CB 0.520 32.969 32.500 -0.086 0.000 0.754 344 K HN 0.308 nan 8.250 nan 0.000 0.466 345 G N -1.496 107.279 108.800 -0.042 0.000 2.164 345 G HA2 -0.123 3.852 3.960 0.025 0.000 0.154 345 G HA3 -0.123 3.852 3.960 0.025 0.000 0.154 345 G C -0.034 174.863 174.900 -0.004 0.000 1.014 345 G CA -0.226 44.862 45.100 -0.020 0.000 0.683 345 G HN 0.419 nan 8.290 nan 0.000 0.500 346 A N 0.967 123.782 122.820 -0.009 0.000 2.488 346 A HA 0.527 4.862 4.320 0.025 0.000 0.249 346 A C 1.525 179.162 177.584 0.088 0.000 1.083 346 A CA 0.716 52.785 52.037 0.055 0.000 0.768 346 A CB 0.132 19.169 19.000 0.061 0.000 1.017 346 A HN 0.722 nan 8.150 nan 0.000 0.496 347 N N 3.241 121.997 118.700 0.092 0.000 2.135 347 N HA -0.109 4.646 4.740 0.025 0.000 0.186 347 N C 0.974 176.518 175.510 0.057 0.000 1.027 347 N CA 0.407 53.493 53.050 0.061 0.000 0.849 347 N CB -0.182 38.331 38.487 0.044 0.000 1.002 347 N HN 0.730 nan 8.380 nan 0.000 0.425 348 R N 1.465 122.000 120.500 0.057 0.000 2.784 348 R HA -0.020 4.335 4.340 0.025 0.000 0.266 348 R C -1.086 175.179 176.300 -0.058 0.000 1.044 348 R CA 0.057 56.112 56.100 -0.075 0.000 1.151 348 R CB 0.320 30.444 30.300 -0.293 0.000 1.037 348 R HN 0.170 nan 8.270 nan 0.000 0.478 349 D N 1.406 121.737 120.400 -0.115 0.000 2.329 349 D HA 0.137 4.792 4.640 0.025 0.000 0.232 349 D C -0.677 175.541 176.300 -0.136 0.000 1.088 349 D CA -0.308 53.676 54.000 -0.027 0.000 0.835 349 D CB 0.469 41.282 40.800 0.021 0.000 1.078 349 D HN 0.398 nan 8.370 nan 0.000 0.495 350 F N 2.039 121.874 119.950 -0.191 0.000 2.668 350 F HA 0.162 4.705 4.527 0.025 0.000 0.297 350 F C 1.995 177.419 175.800 -0.628 0.000 1.124 350 F CA -0.355 57.316 58.000 -0.549 0.000 1.353 350 F CB 0.373 39.052 39.000 -0.534 0.000 0.992 350 F HN 0.319 nan 8.300 nan 0.000 0.524 351 S N 0.456 116.063 115.700 -0.156 0.000 2.440 351 S HA -0.221 4.264 4.470 0.025 0.000 0.238 351 S C 1.894 176.454 174.600 -0.066 0.000 1.010 351 S CA 1.254 59.406 58.200 -0.080 0.000 0.972 351 S CB -0.593 62.619 63.200 0.019 0.000 0.774 351 S HN 0.651 nan 8.310 nan 0.000 0.501 352 F N 1.022 120.972 119.950 -0.000 0.000 2.333 352 F HA 0.035 4.577 4.527 0.025 0.000 0.300 352 F C 1.623 177.468 175.800 0.075 0.000 1.083 352 F CA 0.173 58.176 58.000 0.005 0.000 1.395 352 F CB -0.796 38.110 39.000 -0.157 0.000 1.056 352 F HN 0.076 nan 8.300 nan 0.000 0.529 353 I N 1.721 122.084 120.570 -0.344 0.000 2.208 353 I HA -0.276 3.910 4.170 0.025 0.000 0.245 353 I C 2.474 178.636 176.117 0.076 0.000 1.097 353 I CA 1.446 62.710 61.300 -0.061 0.000 1.363 353 I CB -1.113 36.854 38.000 -0.055 0.000 1.051 353 I HN 0.295 nan 8.210 nan 0.000 0.413 354 I N 0.638 121.234 120.570 0.043 0.000 2.567 354 I HA -0.251 3.934 4.170 0.025 0.000 0.257 354 I C 2.125 178.302 176.117 0.100 0.000 1.184 354 I CA 0.985 62.327 61.300 0.070 0.000 1.451 354 I CB -0.372 37.656 38.000 0.047 0.000 1.089 354 I HN 0.163 nan 8.210 nan 0.000 0.441 355 K N 0.816 121.297 120.400 0.135 0.000 2.365 355 K HA 0.087 4.422 4.320 0.025 0.000 0.197 355 K C 0.636 177.333 176.600 0.162 0.000 1.042 355 K CA 0.391 56.769 56.287 0.151 0.000 0.987 355 K CB -0.109 32.502 32.500 0.184 0.000 0.779 355 K HN 0.480 nan 8.250 nan 0.000 0.484 356 Q N 0.826 120.733 119.800 0.178 0.000 2.312 356 Q HA 0.198 4.553 4.340 0.025 0.000 0.236 356 Q C -0.490 175.589 176.000 0.131 0.000 0.965 356 Q CA -0.087 55.820 55.803 0.173 0.000 0.894 356 Q CB 0.804 29.664 28.738 0.205 0.000 1.225 356 Q HN 0.135 nan 8.270 nan 0.000 0.478 357 N N -0.826 117.947 118.700 0.122 0.000 2.402 357 N HA 0.704 5.459 4.740 0.025 0.000 0.294 357 N C -0.485 175.043 175.510 0.030 0.000 1.203 357 N CA -0.290 52.819 53.050 0.098 0.000 0.838 357 N CB 1.826 40.393 38.487 0.133 0.000 1.306 357 N HN 0.741 nan 8.380 nan 0.000 0.510 358 G N 0.053 108.857 108.800 0.006 0.000 2.660 358 G HA2 -0.260 3.715 3.960 0.025 0.000 0.215 358 G HA3 -0.260 3.715 3.960 0.025 0.000 0.215 358 G C 0.359 175.095 174.900 -0.273 0.000 1.345 358 G CA -0.259 44.732 45.100 -0.181 0.000 0.877 358 G HN 0.482 nan 8.290 nan 0.000 0.549 359 M N -0.220 118.995 119.600 -0.642 0.000 2.419 359 M HA 0.255 4.750 4.480 0.025 0.000 0.264 359 M C 0.725 176.665 176.300 -0.600 0.000 1.082 359 M CA 1.088 55.985 55.300 -0.672 0.000 1.119 359 M CB -0.094 31.927 32.600 -0.965 0.000 1.398 359 M HN 0.298 nan 8.290 nan 0.000 0.453 360 F N 0.075 119.952 119.950 -0.123 0.000 2.544 360 F HA 0.567 5.109 4.527 0.025 0.000 0.378 360 F C 0.578 176.379 175.800 0.001 0.000 1.112 360 F CA -1.443 56.519 58.000 -0.064 0.000 1.115 360 F CB 0.586 39.549 39.000 -0.061 0.000 1.436 360 F HN -0.124 nan 8.300 nan 0.000 0.496 361 S N -0.347 115.544 115.700 0.319 0.000 2.563 361 S HA 0.422 4.907 4.470 0.025 0.000 0.279 361 S C -1.605 173.233 174.600 0.397 0.000 1.155 361 S CA -0.695 57.682 58.200 0.295 0.000 0.928 361 S CB 0.722 64.057 63.200 0.224 0.000 1.107 361 S HN 0.382 nan 8.310 nan 0.000 0.462 362 F N 4.399 124.471 119.950 0.202 0.000 2.462 362 F HA 0.349 4.891 4.527 0.025 0.000 0.354 362 F C 1.925 177.932 175.800 0.344 0.000 1.192 362 F CA -1.010 57.097 58.000 0.178 0.000 1.173 362 F CB 0.381 39.406 39.000 0.043 0.000 1.402 362 F HN 0.904 nan 8.300 nan 0.000 0.595 363 S N 2.550 118.444 115.700 0.324 0.000 2.420 363 S HA -0.089 4.396 4.470 0.025 0.000 0.237 363 S C 1.806 176.640 174.600 0.390 0.000 1.023 363 S CA 0.951 59.386 58.200 0.392 0.000 0.991 363 S CB -0.790 62.590 63.200 0.300 0.000 0.792 363 S HN 1.377 nan 8.310 nan 0.000 0.488 364 G N 0.124 108.982 108.800 0.097 0.000 2.137 364 G HA2 -0.189 3.787 3.960 0.025 0.000 0.237 364 G HA3 -0.189 3.787 3.960 0.025 0.000 0.237 364 G C -0.237 174.690 174.900 0.045 0.000 1.002 364 G CA 0.181 45.309 45.100 0.047 0.000 0.702 364 G HN 0.510 nan 8.290 nan 0.000 0.515 365 L N 1.513 122.757 121.223 0.035 0.000 2.418 365 L HA 0.683 5.038 4.340 0.025 0.000 0.265 365 L C 1.523 178.389 176.870 -0.007 0.000 1.143 365 L CA 0.374 55.247 54.840 0.055 0.000 0.809 365 L CB 1.181 43.290 42.059 0.083 0.000 1.124 365 L HN 0.449 nan 8.230 nan 0.000 0.456 366 T N -1.233 113.331 114.554 0.016 0.000 2.874 366 T HA 0.272 4.637 4.350 0.025 0.000 0.281 366 T C 1.105 175.808 174.700 0.006 0.000 0.994 366 T CA -0.597 61.505 62.100 0.003 0.000 1.015 366 T CB 0.714 69.590 68.868 0.013 0.000 1.028 366 T HN 0.547 nan 8.240 nan 0.000 0.523 367 K N 0.480 120.881 120.400 0.002 0.000 2.063 367 K HA -0.159 4.176 4.320 0.025 0.000 0.208 367 K C 2.144 178.748 176.600 0.007 0.000 1.048 367 K CA 1.904 58.194 56.287 0.003 0.000 0.928 367 K CB -0.141 32.362 32.500 0.004 0.000 0.713 367 K HN 0.653 nan 8.250 nan 0.000 0.442 368 E N 0.648 120.854 120.200 0.011 0.000 2.152 368 E HA -0.131 4.234 4.350 0.025 0.000 0.192 368 E C 1.937 178.552 176.600 0.024 0.000 0.983 368 E CA 0.939 57.347 56.400 0.013 0.000 0.818 368 E CB 0.058 29.766 29.700 0.014 0.000 0.758 368 E HN 0.279 nan 8.360 nan 0.000 0.467 369 Q N -0.063 119.758 119.800 0.034 0.000 2.079 369 Q HA -0.103 4.252 4.340 0.025 0.000 0.200 369 Q C 2.384 178.417 176.000 0.055 0.000 0.974 369 Q CA 1.664 57.501 55.803 0.056 0.000 0.840 369 Q CB -0.094 28.683 28.738 0.065 0.000 0.898 369 Q HN 0.404 nan 8.270 nan 0.000 0.430 370 V N -1.539 118.395 119.914 0.033 0.000 2.626 370 V HA -0.156 3.980 4.120 0.025 0.000 0.252 370 V C 1.923 178.013 176.094 -0.007 0.000 1.067 370 V CA 1.083 63.395 62.300 0.020 0.000 1.081 370 V CB -0.424 31.405 31.823 0.010 0.000 0.686 370 V HN 0.269 nan 8.190 nan 0.000 0.468 371 L N 0.516 121.735 121.223 -0.008 0.000 2.072 371 L HA -0.007 4.348 4.340 0.025 0.000 0.205 371 L C 2.825 179.679 176.870 -0.028 0.000 1.079 371 L CA 2.483 57.305 54.840 -0.030 0.000 0.752 371 L CB -1.051 40.996 42.059 -0.019 0.000 0.906 371 L HN 0.437 nan 8.230 nan 0.000 0.436 372 R N -0.508 119.997 120.500 0.008 0.000 2.092 372 R HA -0.134 4.221 4.340 0.025 0.000 0.231 372 R C 2.430 178.768 176.300 0.064 0.000 1.119 372 R CA 0.981 57.089 56.100 0.014 0.000 0.970 372 R CB -0.123 30.204 30.300 0.045 0.000 0.864 372 R HN 0.265 nan 8.270 nan 0.000 0.440 373 L N 0.555 121.866 121.223 0.148 0.000 1.990 373 L HA -0.262 4.093 4.340 0.025 0.000 0.213 373 L C 2.933 179.890 176.870 0.145 0.000 1.072 373 L CA 1.906 56.909 54.840 0.271 0.000 0.755 373 L CB -0.552 41.601 42.059 0.157 0.000 0.889 373 L HN 0.309 nan 8.230 nan 0.000 0.432 374 R N 0.129 120.601 120.500 -0.048 0.000 2.075 374 R HA -0.176 4.179 4.340 0.025 0.000 0.230 374 R C 2.129 178.343 176.300 -0.144 0.000 1.140 374 R CA 1.681 57.632 56.100 -0.250 0.000 0.928 374 R CB -0.315 29.685 30.300 -0.499 0.000 0.834 374 R HN 0.318 nan 8.270 nan 0.000 0.429 375 E N 0.275 120.400 120.200 -0.124 0.000 2.097 375 E HA -0.245 4.120 4.350 0.025 0.000 0.196 375 E C 1.805 178.333 176.600 -0.120 0.000 1.000 375 E CA 1.685 58.027 56.400 -0.097 0.000 0.804 375 E CB -0.051 29.598 29.700 -0.086 0.000 0.740 375 E HN 0.538 nan 8.360 nan 0.000 0.454 376 E N -1.425 118.660 120.200 -0.192 0.000 2.307 376 E HA 0.005 4.370 4.350 0.025 0.000 0.195 376 E C 0.809 177.086 176.600 -0.538 0.000 0.975 376 E CA 0.132 56.275 56.400 -0.428 0.000 0.878 376 E CB 0.308 29.609 29.700 -0.665 0.000 0.845 376 E HN 0.079 nan 8.360 nan 0.000 0.488 377 F N -1.202 118.759 119.950 0.018 0.000 2.746 377 F HA 0.377 4.919 4.527 0.025 0.000 0.320 377 F C 1.276 177.126 175.800 0.084 0.000 1.097 377 F CA 0.262 58.288 58.000 0.042 0.000 1.195 377 F CB 1.358 40.381 39.000 0.038 0.000 1.056 377 F HN 0.084 nan 8.300 nan 0.000 0.562 378 G N 1.226 110.164 108.800 0.229 0.000 2.187 378 G HA2 -0.279 3.696 3.960 0.025 0.000 0.261 378 G HA3 -0.279 3.696 3.960 0.025 0.000 0.261 378 G C 0.023 175.220 174.900 0.494 0.000 1.000 378 G CA 0.372 45.679 45.100 0.346 0.000 0.718 378 G HN 0.183 nan 8.290 nan 0.000 0.519 379 V N 0.851 120.964 119.914 0.331 0.000 2.406 379 V HA 0.476 4.611 4.120 0.025 0.000 0.272 379 V C -0.089 176.154 176.094 0.247 0.000 1.043 379 V CA -0.735 61.752 62.300 0.312 0.000 0.915 379 V CB 0.753 32.683 31.823 0.178 0.000 0.988 379 V HN 0.217 nan 8.190 nan 0.000 0.466 380 Y N 3.647 124.014 120.300 0.111 0.000 2.353 380 Y HA 0.725 5.290 4.550 0.026 0.000 0.340 380 Y C 0.449 176.354 175.900 0.008 0.000 0.972 380 Y CA -0.538 57.605 58.100 0.073 0.000 1.157 380 Y CB 1.485 39.998 38.460 0.088 0.000 1.157 380 Y HN 0.732 nan 8.280 nan 0.000 0.495 381 A N 2.226 125.100 122.820 0.090 0.000 2.479 381 A HA 0.833 5.168 4.320 0.025 0.000 0.296 381 A C -1.180 176.431 177.584 0.044 0.000 1.121 381 A CA -0.838 51.233 52.037 0.058 0.000 0.743 381 A CB 0.898 19.925 19.000 0.045 0.000 1.323 381 A HN 0.399 nan 8.150 nan 0.000 0.415 382 V N 1.356 121.291 119.914 0.035 0.000 2.686 382 V HA 0.353 4.488 4.120 0.025 0.000 0.295 382 V C 1.832 177.946 176.094 0.032 0.000 1.055 382 V CA 0.554 62.873 62.300 0.030 0.000 1.050 382 V CB 0.942 32.773 31.823 0.013 0.000 0.984 382 V HN 1.304 nan 8.190 nan 0.000 0.482 383 A N 3.540 126.377 122.820 0.027 0.000 1.958 383 A HA -0.191 4.144 4.320 0.025 0.000 0.221 383 A C 2.239 179.836 177.584 0.022 0.000 1.178 383 A CA 2.376 54.425 52.037 0.020 0.000 0.642 383 A CB -0.763 18.247 19.000 0.018 0.000 0.816 383 A HN 1.121 nan 8.150 nan 0.000 0.453 384 S N -1.860 113.875 115.700 0.058 0.000 2.547 384 S HA 0.291 4.776 4.470 0.025 0.000 0.235 384 S C 1.488 176.032 174.600 -0.093 0.000 0.980 384 S CA 1.147 59.397 58.200 0.084 0.000 0.941 384 S CB -0.555 62.828 63.200 0.305 0.000 0.763 384 S HN 2.026 nan 8.310 nan 0.000 0.532 385 G N 1.179 109.956 108.800 -0.039 0.000 2.141 385 G HA2 -0.271 3.704 3.960 0.025 0.000 0.231 385 G HA3 -0.271 3.704 3.960 0.025 0.000 0.231 385 G C 0.014 174.936 174.900 0.037 0.000 0.984 385 G CA -0.051 45.003 45.100 -0.076 0.000 0.660 385 G HN 0.683 nan 8.290 nan 0.000 0.525 386 R N 0.389 120.982 120.500 0.155 0.000 2.298 386 R HA 0.529 4.884 4.340 0.025 0.000 0.310 386 R C 0.383 176.738 176.300 0.092 0.000 1.068 386 R CA 0.246 56.468 56.100 0.204 0.000 0.957 386 R CB 0.809 31.148 30.300 0.064 0.000 1.003 386 R HN 0.659 nan 8.270 nan 0.000 0.454 387 V N 1.924 121.914 119.914 0.127 0.000 2.604 387 V HA 0.374 4.509 4.120 0.025 0.000 0.305 387 V C -0.484 175.700 176.094 0.150 0.000 1.043 387 V CA -1.282 61.062 62.300 0.073 0.000 0.888 387 V CB 1.792 33.600 31.823 -0.025 0.000 0.995 387 V HN 0.710 nan 8.190 nan 0.000 0.429 388 N N 3.387 122.168 118.700 0.135 0.000 2.415 388 N HA 0.201 4.956 4.740 0.025 0.000 0.250 388 N C 0.772 176.240 175.510 -0.071 0.000 1.127 388 N CA 0.096 53.229 53.050 0.139 0.000 0.945 388 N CB 1.117 39.664 38.487 0.101 0.000 1.196 388 N HN 0.611 nan 8.380 nan 0.000 0.499 389 V N 3.174 123.024 119.914 -0.107 0.000 2.490 389 V HA -0.206 3.929 4.120 0.025 0.000 0.250 389 V C 2.022 178.026 176.094 -0.150 0.000 1.061 389 V CA 2.090 64.283 62.300 -0.178 0.000 1.064 389 V CB -0.865 30.881 31.823 -0.128 0.000 0.670 389 V HN 0.773 nan 8.190 nan 0.000 0.461 390 A N 0.047 122.784 122.820 -0.137 0.000 2.239 390 A HA 0.181 4.516 4.320 0.025 0.000 0.209 390 A C 1.940 179.382 177.584 -0.236 0.000 1.171 390 A CA 1.135 53.087 52.037 -0.142 0.000 0.768 390 A CB -0.567 18.404 19.000 -0.047 0.000 0.790 390 A HN 0.559 nan 8.150 nan 0.000 0.478 391 G N -1.241 107.445 108.800 -0.190 0.000 3.192 391 G HA2 0.404 4.379 3.960 0.025 0.000 0.239 391 G HA3 0.404 4.379 3.960 0.025 0.000 0.239 391 G C 0.341 175.142 174.900 -0.165 0.000 1.084 391 G CA -0.383 44.603 45.100 -0.190 0.000 0.784 391 G HN 0.407 nan 8.290 nan 0.000 0.540 392 M N 2.168 121.669 119.600 -0.164 0.000 2.209 392 M HA 0.417 4.912 4.480 0.025 0.000 0.355 392 M C 0.018 176.257 176.300 -0.102 0.000 1.171 392 M CA -0.288 54.931 55.300 -0.135 0.000 1.069 392 M CB 1.700 34.199 32.600 -0.168 0.000 1.622 392 M HN 0.090 nan 8.290 nan 0.000 0.459 393 T N -0.917 113.594 114.554 -0.071 0.000 2.916 393 T HA 0.489 4.854 4.350 0.025 0.000 0.292 393 T C -2.473 172.212 174.700 -0.025 0.000 1.055 393 T CA -1.972 60.098 62.100 -0.050 0.000 1.009 393 T CB 1.858 70.697 68.868 -0.048 0.000 1.118 393 T HN 0.284 nan 8.240 nan 0.000 0.497 394 P HA -0.058 nan 4.420 nan 0.000 0.220 394 P C 0.856 178.155 177.300 -0.002 0.000 1.144 394 P CA 0.951 64.049 63.100 -0.003 0.000 0.800 394 P CB 0.129 31.828 31.700 -0.001 0.000 0.772 395 D N -1.287 119.110 120.400 -0.005 0.000 2.240 395 D HA -0.050 4.605 4.640 0.025 0.000 0.206 395 D C 1.252 177.553 176.300 0.002 0.000 0.963 395 D CA 0.855 54.855 54.000 -0.001 0.000 0.863 395 D CB -0.140 40.660 40.800 -0.000 0.000 0.973 395 D HN 0.289 nan 8.370 nan 0.000 0.501 396 N N 0.463 119.162 118.700 -0.002 0.000 2.280 396 N HA -0.049 4.706 4.740 0.025 0.000 0.192 396 N C 1.517 177.029 175.510 0.003 0.000 1.109 396 N CA 0.083 53.135 53.050 0.003 0.000 0.855 396 N CB -0.196 38.292 38.487 0.001 0.000 0.974 396 N HN 0.022 nan 8.380 nan 0.000 0.482 397 M N 0.657 120.260 119.600 0.004 0.000 2.159 397 M HA 0.105 4.600 4.480 0.025 0.000 0.263 397 M C 1.848 178.160 176.300 0.020 0.000 1.063 397 M CA 1.387 56.701 55.300 0.023 0.000 1.110 397 M CB -0.289 32.329 32.600 0.030 0.000 1.374 397 M HN 0.286 nan 8.290 nan 0.000 0.411 398 A N 0.802 123.625 122.820 0.004 0.000 1.854 398 A HA -0.003 4.332 4.320 0.025 0.000 0.214 398 A C -0.277 177.294 177.584 -0.021 0.000 1.192 398 A CA 1.368 53.399 52.037 -0.010 0.000 0.611 398 A CB -2.218 16.777 19.000 -0.008 0.000 0.832 398 A HN 0.486 nan 8.150 nan 0.000 0.442 399 P HA -0.140 nan 4.420 nan 0.000 0.218 399 P C 1.807 179.078 177.300 -0.049 0.000 1.149 399 P CA 1.029 64.118 63.100 -0.019 0.000 0.817 399 P CB -0.155 31.555 31.700 0.015 0.000 0.785 400 L N 0.009 121.220 121.223 -0.021 0.000 1.994 400 L HA -0.137 4.218 4.340 0.025 0.000 0.208 400 L C 2.346 179.189 176.870 -0.044 0.000 1.071 400 L CA 1.994 56.824 54.840 -0.017 0.000 0.745 400 L CB -0.962 41.105 42.059 0.014 0.000 0.892 400 L HN -0.041 nan 8.230 nan 0.000 0.431 401 C N 0.361 119.646 119.300 -0.025 0.000 2.419 401 C HA -0.100 4.375 4.460 0.025 0.000 0.281 401 C C 2.507 177.412 174.990 -0.141 0.000 1.336 401 C CA 0.787 59.759 59.018 -0.077 0.000 1.770 401 C CB -1.016 26.673 27.740 -0.085 0.000 1.929 401 C HN 0.592 nan 8.230 nan 0.000 0.509 402 E N 1.013 121.125 120.200 -0.146 0.000 2.107 402 E HA -0.080 4.285 4.350 0.025 0.000 0.191 402 E C 2.409 178.798 176.600 -0.351 0.000 0.982 402 E CA 1.094 57.386 56.400 -0.181 0.000 0.809 402 E CB -0.212 29.411 29.700 -0.128 0.000 0.756 402 E HN 0.659 nan 8.360 nan 0.000 0.459 403 A N 1.641 124.170 122.820 -0.486 0.000 1.865 403 A HA -0.200 4.135 4.320 0.025 0.000 0.217 403 A C 2.200 179.414 177.584 -0.617 0.000 1.191 403 A CA 1.188 52.616 52.037 -1.015 0.000 0.623 403 A CB -0.708 17.883 19.000 -0.682 0.000 0.826 403 A HN 0.123 nan 8.150 nan 0.000 0.444 404 I N -0.303 120.095 120.570 -0.285 0.000 2.127 404 I HA -0.260 3.925 4.170 0.025 0.000 0.241 404 I C 2.377 178.431 176.117 -0.105 0.000 1.075 404 I CA 1.573 62.791 61.300 -0.137 0.000 1.334 404 I CB -0.511 37.427 38.000 -0.104 0.000 1.040 404 I HN 0.168 nan 8.210 nan 0.000 0.405 405 V N 1.064 120.900 119.914 -0.130 0.000 2.392 405 V HA -0.215 3.920 4.120 0.025 0.000 0.249 405 V C 1.531 177.606 176.094 -0.032 0.000 1.059 405 V CA 1.432 63.692 62.300 -0.066 0.000 1.051 405 V CB -1.174 30.604 31.823 -0.076 0.000 0.658 405 V HN 0.456 nan 8.190 nan 0.000 0.455 409 L N 0.000 121.273 121.223 0.084 0.000 2.949 409 L HA 0.000 4.355 4.340 0.025 0.000 0.249 409 L CA 0.000 54.897 54.840 0.095 0.000 0.813 409 L CB 0.000 42.130 42.059 0.118 0.000 0.961 409 L HN 0.000 nan 8.230 nan 0.000 0.502