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 2vl8_1_B DATA FIRST_RESID 3 DATA SEQUENCE LVNKAQLQKM AYVKFRIQED EYVAILNALE EYHNMSESSV VEKYLKLKDI DATA SEQUENCE NNLTDNYLNT YKKSGRNKAL KKFKEYLTME VLELKNNSLT PVEKNLHFIW DATA SEQUENCE IGGQINDTAI NYINQWKDVN SDYTVKVFYD SNAFLINTLK KTIVESATNN DATA SEQUENCE TLESFRENLN DPEFDYNKFY RKRMEIIYDK QKHFIDYYKS QIEENPEFII DATA SEQUENCE DNIIKTYLSN EYSKDLEALN KYIEESLNKI TANNGNDIRN LEKFADEDLV DATA SEQUENCE RLYNQELVER WNLAAASDIL RISMLKEDGG VYLDVDMLPG IQPDLFKSIN DATA SEQUENCE KPDSITNTSW EMIKLEAIMK YKEYIPGYTS KNFDMLDEEV QRSFESALSS DATA SEQUENCE KSDKSEIFLP LDDIKVSPLE VKIAFANNSV INQALISLKD SYCSDLVINQ DATA SEQUENCE IKNRYKILND NLNPSINEGT DFNTTMKIFS DKLASISNED NMMFMIKITN DATA SEQUENCE YLKVGFAPDV RSTINLSGPG VYTGAYQDLL MFKDNSTNIH LLEPELRNFE DATA SEQUENCE FPKTKISQLT EQEITSLXXX XXARAKSQFE EYKKGYFE 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 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.975 176.870 0.174 0.000 1.165 3 L CA 0.000 54.943 54.840 0.171 0.000 0.813 3 L CB 0.000 42.187 42.059 0.213 0.000 0.961 4 V N 2.061 122.172 119.914 0.328 0.000 2.882 4 V HA 0.521 4.642 4.120 0.001 0.000 0.295 4 V C -1.522 174.687 176.094 0.191 0.000 1.273 4 V CA -0.092 62.334 62.300 0.211 0.000 0.949 4 V CB 1.894 33.893 31.823 0.293 0.000 1.071 4 V HN 1.035 nan 8.190 nan 0.000 0.432 5 N N 4.738 123.370 118.700 -0.112 0.000 2.379 5 N HA 0.279 5.019 4.740 0.001 0.000 0.260 5 N C 0.886 176.330 175.510 -0.111 0.000 1.254 5 N CA -0.069 52.773 53.050 -0.346 0.000 0.958 5 N CB 0.400 38.630 38.487 -0.428 0.000 1.208 5 N HN 0.767 nan 8.380 nan 0.000 0.532 6 K N -1.142 119.200 120.400 -0.098 0.000 2.097 6 K HA -0.113 4.208 4.320 0.001 0.000 0.206 6 K C 1.594 178.135 176.600 -0.098 0.000 1.049 6 K CA 1.359 57.592 56.287 -0.090 0.000 0.933 6 K CB -0.501 31.952 32.500 -0.078 0.000 0.717 6 K HN 0.517 nan 8.250 nan 0.000 0.442 7 A N 1.493 124.262 122.820 -0.085 0.000 1.902 7 A HA -0.201 4.120 4.320 0.001 0.000 0.217 7 A C 2.148 179.700 177.584 -0.054 0.000 1.181 7 A CA 1.650 53.646 52.037 -0.067 0.000 0.623 7 A CB -0.601 18.360 19.000 -0.066 0.000 0.818 7 A HN 0.533 nan 8.150 nan 0.000 0.443 8 Q N -1.195 118.575 119.800 -0.049 0.000 2.124 8 Q HA -0.159 4.182 4.340 0.001 0.000 0.202 8 Q C 2.078 178.075 176.000 -0.005 0.000 0.977 8 Q CA 1.396 57.189 55.803 -0.017 0.000 0.850 8 Q CB -0.319 28.420 28.738 0.001 0.000 0.901 8 Q HN 0.563 nan 8.270 nan 0.000 0.429 9 L N 1.040 122.234 121.223 -0.048 0.000 1.994 9 L HA -0.221 4.120 4.340 0.001 0.000 0.208 9 L C 2.122 178.965 176.870 -0.044 0.000 1.071 9 L CA 1.846 56.617 54.840 -0.114 0.000 0.745 9 L CB -0.614 41.256 42.059 -0.315 0.000 0.892 9 L HN 0.187 nan 8.230 nan 0.000 0.431 10 Q N -0.698 119.086 119.800 -0.027 0.000 2.133 10 Q HA -0.260 4.081 4.340 0.001 0.000 0.208 10 Q C 2.063 178.126 176.000 0.105 0.000 0.991 10 Q CA 1.797 57.645 55.803 0.075 0.000 0.867 10 Q CB -0.154 28.601 28.738 0.028 0.000 0.911 10 Q HN 0.391 nan 8.270 nan 0.000 0.417 11 K N 0.096 120.514 120.400 0.030 0.000 2.155 11 K HA -0.029 4.292 4.320 0.001 0.000 0.203 11 K C 1.925 178.554 176.600 0.047 0.000 1.052 11 K CA 0.979 57.272 56.287 0.009 0.000 0.948 11 K CB -0.143 32.333 32.500 -0.039 0.000 0.728 11 K HN 0.309 nan 8.250 nan 0.000 0.448 12 M N 0.053 119.678 119.600 0.041 0.000 2.077 12 M HA -0.109 4.372 4.480 0.001 0.000 0.261 12 M C 1.961 178.273 176.300 0.020 0.000 1.070 12 M CA 1.842 57.164 55.300 0.037 0.000 1.125 12 M CB -0.258 32.363 32.600 0.036 0.000 1.339 12 M HN 0.029 nan 8.290 nan 0.000 0.409 13 A N -1.214 121.609 122.820 0.004 0.000 2.278 13 A HA 0.004 4.325 4.320 0.001 0.000 0.212 13 A C 0.203 177.737 177.584 -0.083 0.000 1.213 13 A CA -0.317 51.670 52.037 -0.084 0.000 0.840 13 A CB -0.823 18.077 19.000 -0.167 0.000 0.866 13 A HN 0.456 nan 8.150 nan 0.000 0.489 14 Y N 0.601 120.847 120.300 -0.091 0.000 2.721 14 Y HA 0.231 4.782 4.550 0.001 0.000 0.329 14 Y C -0.310 175.514 175.900 -0.127 0.000 1.211 14 Y CA 0.648 58.692 58.100 -0.094 0.000 1.512 14 Y CB 0.349 38.766 38.460 -0.072 0.000 1.249 14 Y HN -0.010 nan 8.280 nan 0.000 0.549 15 V N 7.694 127.190 119.914 -0.697 0.000 2.409 15 V HA 0.180 4.300 4.120 0.001 0.000 0.290 15 V C -0.250 175.350 176.094 -0.824 0.000 1.017 15 V CA -1.633 60.315 62.300 -0.587 0.000 0.841 15 V CB 1.346 32.964 31.823 -0.343 0.000 1.003 15 V HN 0.586 nan 8.190 nan 0.000 0.426 16 K N 3.820 123.758 120.400 -0.770 0.000 2.504 16 K HA -0.000 4.321 4.320 0.001 0.000 0.278 16 K C 0.638 176.890 176.600 -0.581 0.000 1.025 16 K CA 0.738 56.536 56.287 -0.815 0.000 1.093 16 K CB -0.104 31.944 32.500 -0.753 0.000 0.873 16 K HN 0.647 nan 8.250 nan 0.000 0.483 17 F N -1.388 118.464 119.950 -0.164 0.000 2.732 17 F HA -0.332 4.196 4.527 0.001 0.000 0.443 17 F C 0.886 176.619 175.800 -0.112 0.000 0.572 17 F CA 1.039 58.983 58.000 -0.093 0.000 1.050 17 F CB -1.488 37.480 39.000 -0.054 0.000 1.665 17 F HN 0.601 nan 8.300 nan 0.000 0.278 18 R N 2.008 122.468 120.500 -0.068 0.000 2.449 18 R HA 0.368 4.709 4.340 0.001 0.000 0.296 18 R C 0.386 176.647 176.300 -0.065 0.000 1.047 18 R CA -0.198 55.850 56.100 -0.086 0.000 1.018 18 R CB 0.213 30.406 30.300 -0.177 0.000 0.962 18 R HN 0.258 nan 8.270 nan 0.000 0.428 19 I N 4.223 124.775 120.570 -0.030 0.000 2.775 19 I HA -0.165 4.006 4.170 0.001 0.000 0.290 19 I C 0.671 176.784 176.117 -0.006 0.000 1.203 19 I CA 0.946 62.242 61.300 -0.006 0.000 1.433 19 I CB 0.555 38.555 38.000 0.001 0.000 1.354 19 I HN 0.470 nan 8.210 nan 0.000 0.579 20 Q N 6.018 125.855 119.800 0.060 0.000 2.344 20 Q HA 0.154 4.495 4.340 0.001 0.000 0.253 20 Q C -0.612 175.472 176.000 0.140 0.000 1.050 20 Q CA -0.445 55.458 55.803 0.166 0.000 0.912 20 Q CB 0.520 29.367 28.738 0.181 0.000 1.258 20 Q HN 0.456 nan 8.270 nan 0.000 0.443 21 E N 1.551 121.841 120.200 0.149 0.000 2.390 21 E HA -0.044 4.307 4.350 0.001 0.000 0.261 21 E C 0.180 176.906 176.600 0.211 0.000 1.076 21 E CA -0.258 56.224 56.400 0.137 0.000 0.905 21 E CB 0.568 30.267 29.700 -0.002 0.000 0.984 21 E HN 0.373 nan 8.360 nan 0.000 0.427 22 D N 1.760 122.268 120.400 0.179 0.000 2.133 22 D HA -0.185 4.456 4.640 0.001 0.000 0.195 22 D C 1.238 177.648 176.300 0.184 0.000 0.997 22 D CA 1.340 55.427 54.000 0.145 0.000 0.840 22 D CB 0.047 40.917 40.800 0.117 0.000 0.947 22 D HN 0.449 nan 8.370 nan 0.000 0.452 23 E N -0.797 119.574 120.200 0.286 0.000 2.150 23 E HA -0.154 4.197 4.350 0.001 0.000 0.193 23 E C 1.779 178.625 176.600 0.410 0.000 0.985 23 E CA 0.516 57.124 56.400 0.346 0.000 0.814 23 E CB -0.262 29.702 29.700 0.440 0.000 0.752 23 E HN 0.402 nan 8.360 nan 0.000 0.466 24 Y N 0.284 120.749 120.300 0.275 0.000 2.206 24 Y HA -0.079 4.472 4.550 0.001 0.000 0.292 24 Y C 1.993 177.893 175.900 0.001 0.000 1.123 24 Y CA 0.664 58.801 58.100 0.061 0.000 1.142 24 Y CB -0.429 38.014 38.460 -0.029 0.000 1.006 24 Y HN -0.145 nan 8.280 nan 0.000 0.518 25 V N 0.866 120.743 119.914 -0.062 0.000 2.287 25 V HA -0.352 3.769 4.120 0.001 0.000 0.248 25 V C 2.750 178.781 176.094 -0.105 0.000 1.053 25 V CA 1.962 64.167 62.300 -0.157 0.000 1.027 25 V CB -1.696 30.099 31.823 -0.047 0.000 0.646 25 V HN 0.532 nan 8.190 nan 0.000 0.447 26 A N -0.077 122.737 122.820 -0.010 0.000 1.927 26 A HA -0.259 4.062 4.320 0.001 0.000 0.220 26 A C 2.175 179.755 177.584 -0.007 0.000 1.185 26 A CA 2.360 54.403 52.037 0.010 0.000 0.639 26 A CB -0.639 18.393 19.000 0.055 0.000 0.820 26 A HN 0.541 nan 8.150 nan 0.000 0.451 27 I N -0.508 120.053 120.570 -0.015 0.000 2.179 27 I HA -0.278 3.893 4.170 0.001 0.000 0.242 27 I C 2.404 178.465 176.117 -0.093 0.000 1.088 27 I CA 1.308 62.595 61.300 -0.021 0.000 1.357 27 I CB -0.365 37.626 38.000 -0.014 0.000 1.051 27 I HN 0.311 nan 8.210 nan 0.000 0.409 28 L N 0.348 121.439 121.223 -0.220 0.000 2.046 28 L HA -0.213 4.128 4.340 0.001 0.000 0.208 28 L C 2.338 179.149 176.870 -0.099 0.000 1.077 28 L CA 1.198 55.901 54.840 -0.228 0.000 0.747 28 L CB -0.865 40.971 42.059 -0.371 0.000 0.896 28 L HN 0.313 nan 8.230 nan 0.000 0.432 29 N N 0.617 119.273 118.700 -0.074 0.000 2.069 29 N HA -0.173 4.568 4.740 0.001 0.000 0.191 29 N C 1.919 177.439 175.510 0.016 0.000 1.031 29 N CA 1.687 54.723 53.050 -0.023 0.000 0.852 29 N CB -0.463 38.014 38.487 -0.018 0.000 1.018 29 N HN 0.326 nan 8.380 nan 0.000 0.423 30 A N 0.948 123.781 122.820 0.021 0.000 1.933 30 A HA -0.094 4.226 4.320 0.001 0.000 0.218 30 A C 2.215 179.859 177.584 0.100 0.000 1.175 30 A CA 1.016 53.082 52.037 0.048 0.000 0.628 30 A CB -0.663 18.356 19.000 0.032 0.000 0.814 30 A HN 0.240 nan 8.150 nan 0.000 0.444 31 L N -0.010 121.280 121.223 0.112 0.000 2.093 31 L HA -0.090 4.251 4.340 0.001 0.000 0.208 31 L C 2.191 179.238 176.870 0.295 0.000 1.085 31 L CA 2.550 57.519 54.840 0.215 0.000 0.755 31 L CB -0.644 41.522 42.059 0.179 0.000 0.904 31 L HN 0.604 nan 8.230 nan 0.000 0.435 32 E N -0.289 120.011 120.200 0.166 0.000 2.031 32 E HA -0.264 4.087 4.350 0.001 0.000 0.193 32 E C 1.949 178.635 176.600 0.144 0.000 0.994 32 E CA 1.601 58.088 56.400 0.144 0.000 0.800 32 E CB -0.150 29.581 29.700 0.053 0.000 0.752 32 E HN 0.746 nan 8.360 nan 0.000 0.447 33 E N -0.280 119.982 120.200 0.103 0.000 2.118 33 E HA -0.266 4.085 4.350 0.001 0.000 0.195 33 E C 2.094 178.734 176.600 0.066 0.000 0.992 33 E CA 1.153 57.596 56.400 0.071 0.000 0.804 33 E CB -0.695 29.035 29.700 0.051 0.000 0.741 33 E HN 0.406 nan 8.360 nan 0.000 0.458 34 Y N 2.064 122.359 120.300 -0.009 0.000 2.151 34 Y HA -0.278 4.273 4.550 0.001 0.000 0.284 34 Y C 2.187 178.008 175.900 -0.132 0.000 1.166 34 Y CA 2.066 60.113 58.100 -0.090 0.000 1.163 34 Y CB -0.241 38.130 38.460 -0.147 0.000 0.974 34 Y HN 0.125 nan 8.280 nan 0.000 0.511 35 H N -0.728 118.327 119.070 -0.025 0.000 2.529 35 H HA 0.021 4.578 4.556 0.001 0.000 0.277 35 H C 0.857 176.119 175.328 -0.109 0.000 0.999 35 H CA 1.006 57.006 56.048 -0.079 0.000 1.256 35 H CB 0.037 29.828 29.762 0.047 0.000 1.402 35 H HN 0.400 nan 8.280 nan 0.000 0.566 36 N N 0.370 119.068 118.700 -0.003 0.000 2.314 36 N HA 0.039 4.780 4.740 0.001 0.000 0.200 36 N C 0.763 176.226 175.510 -0.079 0.000 1.135 36 N CA 0.214 53.248 53.050 -0.027 0.000 0.835 36 N CB 0.239 38.726 38.487 0.001 0.000 0.989 36 N HN 0.370 nan 8.380 nan 0.000 0.478 37 M N -0.311 119.186 119.600 -0.172 0.000 2.560 37 M HA 0.085 4.566 4.480 0.001 0.000 0.297 37 M C 1.513 177.702 176.300 -0.184 0.000 1.201 37 M CA -0.109 55.086 55.300 -0.174 0.000 0.973 37 M CB 0.322 32.793 32.600 -0.214 0.000 1.401 37 M HN 0.015 nan 8.290 nan 0.000 0.497 38 S N 0.455 116.058 115.700 -0.161 0.000 2.420 38 S HA -0.153 4.318 4.470 0.001 0.000 0.237 38 S C 1.340 175.894 174.600 -0.077 0.000 1.023 38 S CA 1.264 59.389 58.200 -0.124 0.000 0.991 38 S CB -0.190 62.964 63.200 -0.077 0.000 0.792 38 S HN 0.483 nan 8.310 nan 0.000 0.488 39 E N 1.273 121.437 120.200 -0.060 0.000 2.479 39 E HA 0.303 4.654 4.350 0.001 0.000 0.193 39 E C 0.259 176.841 176.600 -0.030 0.000 1.049 39 E CA -0.033 56.345 56.400 -0.036 0.000 0.870 39 E CB 0.253 29.938 29.700 -0.025 0.000 0.944 39 E HN 0.470 nan 8.360 nan 0.000 0.492 40 S N 1.449 117.124 115.700 -0.042 0.000 2.600 40 S HA 0.141 4.612 4.470 0.001 0.000 0.265 40 S C 0.567 175.163 174.600 -0.007 0.000 1.325 40 S CA -0.411 57.775 58.200 -0.023 0.000 1.002 40 S CB 0.922 64.104 63.200 -0.029 0.000 0.921 40 S HN 0.300 nan 8.310 nan 0.000 0.554 41 S N 0.760 116.467 115.700 0.011 0.000 2.584 41 S HA 0.138 4.609 4.470 0.001 0.000 0.270 41 S C 1.285 175.905 174.600 0.034 0.000 1.346 41 S CA -0.818 57.396 58.200 0.024 0.000 1.018 41 S CB 0.525 63.745 63.200 0.034 0.000 0.899 41 S HN 0.381 nan 8.310 nan 0.000 0.542 42 V N 2.545 122.482 119.914 0.039 0.000 2.392 42 V HA -0.148 3.973 4.120 0.001 0.000 0.249 42 V C 2.478 178.613 176.094 0.069 0.000 1.059 42 V CA 1.794 64.126 62.300 0.052 0.000 1.051 42 V CB -0.935 30.914 31.823 0.042 0.000 0.658 42 V HN 0.815 nan 8.190 nan 0.000 0.455 43 V N -0.375 119.569 119.914 0.050 0.000 2.358 43 V HA -0.182 3.938 4.120 0.001 0.000 0.246 43 V C 2.601 178.743 176.094 0.080 0.000 1.047 43 V CA 1.735 64.054 62.300 0.032 0.000 1.035 43 V CB -0.563 31.304 31.823 0.073 0.000 0.658 43 V HN 0.544 nan 8.190 nan 0.000 0.452 44 E N 0.237 120.485 120.200 0.080 0.000 2.110 44 E HA -0.223 4.128 4.350 0.001 0.000 0.193 44 E C 2.243 178.899 176.600 0.093 0.000 0.988 44 E CA 1.113 57.559 56.400 0.078 0.000 0.804 44 E CB -0.225 29.507 29.700 0.053 0.000 0.745 44 E HN 0.573 nan 8.360 nan 0.000 0.458 45 K N -0.087 120.377 120.400 0.107 0.000 2.097 45 K HA -0.180 4.141 4.320 0.001 0.000 0.206 45 K C 2.174 178.920 176.600 0.244 0.000 1.049 45 K CA 1.227 57.626 56.287 0.187 0.000 0.933 45 K CB -0.275 32.319 32.500 0.157 0.000 0.717 45 K HN 0.128 nan 8.250 nan 0.000 0.442 46 Y N 1.304 121.637 120.300 0.055 0.000 2.200 46 Y HA -0.124 4.427 4.550 0.001 0.000 0.290 46 Y C 1.709 177.611 175.900 0.003 0.000 1.137 46 Y CA 1.180 59.285 58.100 0.008 0.000 1.163 46 Y CB -0.027 38.343 38.460 -0.150 0.000 0.988 46 Y HN -0.063 nan 8.280 nan 0.000 0.518 47 L N 0.111 121.337 121.223 0.005 0.000 2.141 47 L HA -0.178 4.163 4.340 0.001 0.000 0.209 47 L C 2.410 179.221 176.870 -0.098 0.000 1.094 47 L CA 1.376 56.203 54.840 -0.022 0.000 0.763 47 L CB -0.454 41.660 42.059 0.092 0.000 0.908 47 L HN 0.113 nan 8.230 nan 0.000 0.437 48 K N 0.923 121.294 120.400 -0.049 0.000 2.025 48 K HA -0.132 4.189 4.320 0.001 0.000 0.207 48 K C 1.965 178.439 176.600 -0.209 0.000 1.049 48 K CA 1.530 57.795 56.287 -0.037 0.000 0.933 48 K CB -0.460 32.121 32.500 0.134 0.000 0.714 48 K HN 0.136 nan 8.250 nan 0.000 0.438 49 L N 0.665 121.679 121.223 -0.347 0.000 2.042 49 L HA -0.219 4.122 4.340 0.001 0.000 0.210 49 L C 2.593 178.925 176.870 -0.897 0.000 1.076 49 L CA 1.803 56.267 54.840 -0.628 0.000 0.749 49 L CB -0.519 41.221 42.059 -0.531 0.000 0.893 49 L HN 0.272 nan 8.230 nan 0.000 0.432 50 K N 0.151 120.080 120.400 -0.785 0.000 2.063 50 K HA -0.226 4.095 4.320 0.001 0.000 0.208 50 K C 1.680 178.047 176.600 -0.389 0.000 1.048 50 K CA 1.968 57.876 56.287 -0.630 0.000 0.928 50 K CB -0.011 32.346 32.500 -0.238 0.000 0.713 50 K HN 0.223 nan 8.250 nan 0.000 0.442 51 D N 0.648 120.897 120.400 -0.252 0.000 2.117 51 D HA -0.135 4.506 4.640 0.001 0.000 0.197 51 D C 1.895 178.100 176.300 -0.158 0.000 0.987 51 D CA 1.131 55.044 54.000 -0.145 0.000 0.829 51 D CB -0.124 40.631 40.800 -0.075 0.000 0.961 51 D HN 0.303 nan 8.370 nan 0.000 0.460 52 I N 0.936 121.372 120.570 -0.223 0.000 2.208 52 I HA -0.247 3.924 4.170 0.001 0.000 0.245 52 I C 2.313 178.316 176.117 -0.190 0.000 1.097 52 I CA 0.819 62.022 61.300 -0.161 0.000 1.363 52 I CB -0.283 37.612 38.000 -0.175 0.000 1.051 52 I HN 0.057 nan 8.210 nan 0.000 0.413 53 N N 1.077 119.526 118.700 -0.419 0.000 2.120 53 N HA -0.200 4.541 4.740 0.001 0.000 0.188 53 N C 1.621 177.050 175.510 -0.136 0.000 1.024 53 N CA 1.374 54.206 53.050 -0.364 0.000 0.852 53 N CB -0.031 38.066 38.487 -0.649 0.000 1.003 53 N HN 0.338 nan 8.380 nan 0.000 0.424 54 N N 1.060 119.688 118.700 -0.120 0.000 2.216 54 N HA -0.043 4.698 4.740 0.001 0.000 0.183 54 N C 1.919 177.435 175.510 0.011 0.000 1.017 54 N CA 0.438 53.468 53.050 -0.032 0.000 0.861 54 N CB -0.319 38.152 38.487 -0.027 0.000 0.986 54 N HN 0.295 nan 8.380 nan 0.000 0.428 55 L N 0.479 121.710 121.223 0.013 0.000 2.131 55 L HA -0.120 4.221 4.340 0.001 0.000 0.210 55 L C 2.059 179.007 176.870 0.130 0.000 1.092 55 L CA 1.013 55.893 54.840 0.067 0.000 0.759 55 L CB -0.609 41.486 42.059 0.060 0.000 0.903 55 L HN 0.135 nan 8.230 nan 0.000 0.435 56 T N -1.442 113.184 114.554 0.121 0.000 2.812 56 T HA -0.138 4.213 4.350 0.001 0.000 0.264 56 T C 1.436 176.244 174.700 0.180 0.000 1.042 56 T CA 1.180 63.388 62.100 0.180 0.000 1.140 56 T CB -0.201 68.780 68.868 0.189 0.000 0.870 56 T HN 0.256 nan 8.240 nan 0.000 0.445 57 D N 1.064 121.530 120.400 0.110 0.000 2.149 57 D HA -0.087 4.554 4.640 0.001 0.000 0.198 57 D C 2.098 178.456 176.300 0.097 0.000 0.990 57 D CA 0.857 54.913 54.000 0.094 0.000 0.839 57 D CB -0.490 40.345 40.800 0.057 0.000 0.948 57 D HN 0.286 nan 8.370 nan 0.000 0.460 58 N N -0.436 118.324 118.700 0.099 0.000 2.084 58 N HA -0.214 4.527 4.740 0.001 0.000 0.190 58 N C 1.793 177.366 175.510 0.104 0.000 1.030 58 N CA 0.986 54.082 53.050 0.076 0.000 0.849 58 N CB -0.393 38.137 38.487 0.071 0.000 1.012 58 N HN 0.207 nan 8.380 nan 0.000 0.423 59 Y N 0.854 121.217 120.300 0.104 0.000 2.081 59 Y HA -0.170 4.380 4.550 0.001 0.000 0.280 59 Y C 2.014 178.008 175.900 0.155 0.000 1.163 59 Y CA 1.781 59.994 58.100 0.187 0.000 1.135 59 Y CB -0.361 38.226 38.460 0.211 0.000 0.970 59 Y HN 0.107 nan 8.280 nan 0.000 0.498 60 L N 0.222 121.631 121.223 0.309 0.000 2.079 60 L HA -0.281 4.060 4.340 0.001 0.000 0.210 60 L C 1.932 178.830 176.870 0.046 0.000 1.081 60 L CA 1.465 56.431 54.840 0.210 0.000 0.752 60 L CB -0.589 41.574 42.059 0.173 0.000 0.896 60 L HN 0.359 nan 8.230 nan 0.000 0.433 61 N N -1.133 117.566 118.700 -0.001 0.000 2.457 61 N HA -0.071 4.670 4.740 0.001 0.000 0.180 61 N C 1.671 177.085 175.510 -0.160 0.000 1.050 61 N CA 1.234 54.249 53.050 -0.058 0.000 0.906 61 N CB 0.085 38.549 38.487 -0.038 0.000 0.968 61 N HN 0.317 nan 8.380 nan 0.000 0.445 62 T N -0.572 113.810 114.554 -0.288 0.000 2.976 62 T HA 0.036 4.386 4.350 0.001 0.000 0.257 62 T C 0.130 174.345 174.700 -0.808 0.000 1.051 62 T CA 0.739 62.494 62.100 -0.575 0.000 1.141 62 T CB -0.006 68.400 68.868 -0.771 0.000 0.881 62 T HN 0.186 nan 8.240 nan 0.000 0.461 63 Y N 1.490 121.589 120.300 -0.334 0.000 2.638 63 Y HA 0.439 4.990 4.550 0.001 0.000 0.367 63 Y C 1.151 176.961 175.900 -0.151 0.000 1.001 63 Y CA -1.183 56.740 58.100 -0.296 0.000 1.133 63 Y CB 0.120 38.267 38.460 -0.523 0.000 1.199 63 Y HN -0.041 nan 8.280 nan 0.000 0.642 64 K N 0.506 120.895 120.400 -0.017 0.000 2.211 64 K HA -0.127 4.194 4.320 0.001 0.000 0.204 64 K C 0.988 177.609 176.600 0.035 0.000 1.047 64 K CA 1.259 57.552 56.287 0.010 0.000 0.935 64 K CB 0.139 32.631 32.500 -0.014 0.000 0.728 64 K HN 0.418 nan 8.250 nan 0.000 0.452 65 K N 0.670 121.094 120.400 0.040 0.000 2.399 65 K HA 0.081 4.402 4.320 0.001 0.000 0.204 65 K C 0.198 176.822 176.600 0.040 0.000 1.023 65 K CA -0.175 56.132 56.287 0.033 0.000 1.127 65 K CB 1.013 33.526 32.500 0.021 0.000 0.856 65 K HN -0.069 nan 8.250 nan 0.000 0.514 66 S N 0.106 115.849 115.700 0.071 0.000 2.564 66 S HA 0.114 4.585 4.470 0.001 0.000 0.278 66 S C 1.353 175.971 174.600 0.031 0.000 1.333 66 S CA -0.384 57.852 58.200 0.060 0.000 1.048 66 S CB 1.100 64.381 63.200 0.135 0.000 0.900 66 S HN 0.398 nan 8.310 nan 0.000 0.505 67 G N 3.679 112.465 108.800 -0.023 0.000 2.625 67 G HA2 -0.079 3.882 3.960 0.001 0.000 0.214 67 G HA3 -0.079 3.882 3.960 0.001 0.000 0.214 67 G C 1.386 176.239 174.900 -0.078 0.000 1.132 67 G CA -0.020 45.051 45.100 -0.049 0.000 0.782 67 G HN 0.801 nan 8.290 nan 0.000 0.538 68 R N -0.060 120.382 120.500 -0.096 0.000 2.240 68 R HA 0.022 4.363 4.340 0.001 0.000 0.203 68 R C 1.817 178.050 176.300 -0.112 0.000 1.011 68 R CA 0.440 56.419 56.100 -0.202 0.000 1.007 68 R CB -0.030 29.991 30.300 -0.466 0.000 0.911 68 R HN 0.211 nan 8.270 nan 0.000 0.468 69 N N 1.269 119.971 118.700 0.004 0.000 2.223 69 N HA -0.178 4.562 4.740 0.001 0.000 0.185 69 N C 1.493 177.011 175.510 0.014 0.000 1.016 69 N CA 1.080 54.159 53.050 0.049 0.000 0.863 69 N CB -0.089 38.452 38.487 0.090 0.000 0.983 69 N HN 0.223 nan 8.380 nan 0.000 0.429 70 K N 0.816 121.212 120.400 -0.007 0.000 2.025 70 K HA 0.008 4.329 4.320 0.001 0.000 0.207 70 K C 1.837 178.423 176.600 -0.024 0.000 1.049 70 K CA 1.259 57.539 56.287 -0.011 0.000 0.933 70 K CB -0.102 32.391 32.500 -0.012 0.000 0.714 70 K HN 0.105 nan 8.250 nan 0.000 0.438 71 A N 1.306 124.104 122.820 -0.037 0.000 1.930 71 A HA -0.072 4.249 4.320 0.001 0.000 0.217 71 A C 2.108 179.675 177.584 -0.028 0.000 1.175 71 A CA 1.079 53.090 52.037 -0.044 0.000 0.627 71 A CB -0.452 18.516 19.000 -0.052 0.000 0.815 71 A HN 0.331 nan 8.150 nan 0.000 0.443 72 L N -1.058 120.152 121.223 -0.022 0.000 2.217 72 L HA -0.114 4.227 4.340 0.001 0.000 0.211 72 L C 2.419 179.346 176.870 0.095 0.000 1.107 72 L CA 1.194 56.064 54.840 0.050 0.000 0.783 72 L CB -0.285 41.772 42.059 -0.004 0.000 0.919 72 L HN 0.335 nan 8.230 nan 0.000 0.442 73 K N -0.026 120.395 120.400 0.034 0.000 2.103 73 K HA -0.174 4.147 4.320 0.001 0.000 0.204 73 K C 2.087 178.658 176.600 -0.048 0.000 1.052 73 K CA 0.845 57.138 56.287 0.010 0.000 0.945 73 K CB 0.026 32.530 32.500 0.006 0.000 0.722 73 K HN -0.049 nan 8.250 nan 0.000 0.443 74 K N 0.905 121.245 120.400 -0.099 0.000 2.057 74 K HA -0.146 4.175 4.320 0.001 0.000 0.207 74 K C 1.752 178.064 176.600 -0.479 0.000 1.049 74 K CA 1.143 57.266 56.287 -0.273 0.000 0.931 74 K CB -0.392 31.932 32.500 -0.295 0.000 0.714 74 K HN 0.026 nan 8.250 nan 0.000 0.440 75 F N 1.750 121.445 119.950 -0.425 0.000 2.091 75 F HA -0.230 4.298 4.527 0.001 0.000 0.299 75 F C 1.533 177.269 175.800 -0.107 0.000 1.103 75 F CA 1.844 59.683 58.000 -0.268 0.000 1.228 75 F CB -0.271 38.671 39.000 -0.096 0.000 0.984 75 F HN -0.021 nan 8.300 nan 0.000 0.477 76 K N 0.128 120.407 120.400 -0.202 0.000 2.074 76 K HA -0.234 4.087 4.320 0.001 0.000 0.209 76 K C 1.980 178.525 176.600 -0.092 0.000 1.048 76 K CA 2.044 58.212 56.287 -0.198 0.000 0.926 76 K CB -0.395 32.077 32.500 -0.046 0.000 0.713 76 K HN 0.450 nan 8.250 nan 0.000 0.444 77 E N -0.266 119.889 120.200 -0.076 0.000 2.110 77 E HA -0.189 4.161 4.350 0.001 0.000 0.193 77 E C 1.864 178.547 176.600 0.139 0.000 0.988 77 E CA 1.070 57.479 56.400 0.015 0.000 0.804 77 E CB -0.080 29.612 29.700 -0.013 0.000 0.745 77 E HN 0.348 nan 8.360 nan 0.000 0.458 78 Y N 0.560 120.841 120.300 -0.031 0.000 2.314 78 Y HA -0.083 4.467 4.550 0.001 0.000 0.293 78 Y C 2.142 177.989 175.900 -0.089 0.000 1.129 78 Y CA 0.435 58.519 58.100 -0.027 0.000 1.201 78 Y CB -0.616 37.866 38.460 0.037 0.000 0.999 78 Y HN 0.027 nan 8.280 nan 0.000 0.541 79 L N -1.093 120.089 121.223 -0.067 0.000 2.017 79 L HA -0.216 4.125 4.340 0.001 0.000 0.208 79 L C 2.349 179.341 176.870 0.203 0.000 1.073 79 L CA 1.774 56.560 54.840 -0.090 0.000 0.745 79 L CB -1.067 40.796 42.059 -0.326 0.000 0.894 79 L HN 0.091 nan 8.230 nan 0.000 0.432 80 T N -0.196 114.490 114.554 0.220 0.000 2.684 80 T HA -0.214 4.137 4.350 0.001 0.000 0.267 80 T C 1.952 176.709 174.700 0.095 0.000 1.036 80 T CA 1.533 63.710 62.100 0.129 0.000 1.148 80 T CB -0.197 68.727 68.868 0.093 0.000 0.863 80 T HN 0.219 nan 8.240 nan 0.000 0.436 81 M N 0.673 120.338 119.600 0.109 0.000 2.149 81 M HA -0.147 4.334 4.480 0.001 0.000 0.261 81 M C 2.394 178.737 176.300 0.071 0.000 1.064 81 M CA 1.594 56.946 55.300 0.085 0.000 1.102 81 M CB -0.353 32.305 32.600 0.097 0.000 1.369 81 M HN 0.155 nan 8.290 nan 0.000 0.408 82 E N 0.476 120.724 120.200 0.081 0.000 2.150 82 E HA -0.114 4.237 4.350 0.001 0.000 0.193 82 E C 1.664 178.328 176.600 0.107 0.000 0.985 82 E CA 1.105 57.550 56.400 0.074 0.000 0.814 82 E CB -0.177 29.535 29.700 0.020 0.000 0.752 82 E HN 0.293 nan 8.360 nan 0.000 0.466 83 V N 0.799 120.796 119.914 0.137 0.000 2.332 83 V HA -0.263 3.858 4.120 0.001 0.000 0.248 83 V C 2.427 178.577 176.094 0.093 0.000 1.055 83 V CA 1.758 64.162 62.300 0.174 0.000 1.038 83 V CB -0.501 31.426 31.823 0.174 0.000 0.651 83 V HN 0.347 nan 8.190 nan 0.000 0.450 84 L N -0.566 120.683 121.223 0.043 0.000 2.093 84 L HA -0.104 4.237 4.340 0.001 0.000 0.208 84 L C 2.747 179.608 176.870 -0.016 0.000 1.085 84 L CA 1.169 55.996 54.840 -0.022 0.000 0.755 84 L CB -0.599 41.437 42.059 -0.038 0.000 0.904 84 L HN 0.314 nan 8.230 nan 0.000 0.435 85 E N 0.056 120.267 120.200 0.018 0.000 2.072 85 E HA -0.178 4.172 4.350 0.001 0.000 0.191 85 E C 2.217 178.839 176.600 0.037 0.000 0.985 85 E CA 0.917 57.331 56.400 0.024 0.000 0.801 85 E CB -0.278 29.446 29.700 0.039 0.000 0.750 85 E HN 0.223 nan 8.360 nan 0.000 0.452 86 L N 1.515 122.778 121.223 0.068 0.000 2.012 86 L HA -0.180 4.161 4.340 0.001 0.000 0.210 86 L C 2.361 179.255 176.870 0.041 0.000 1.073 86 L CA 1.733 56.620 54.840 0.078 0.000 0.748 86 L CB -0.698 41.443 42.059 0.136 0.000 0.891 86 L HN 0.067 nan 8.230 nan 0.000 0.431 87 K N -0.412 120.000 120.400 0.019 0.000 2.026 87 K HA -0.174 4.147 4.320 0.001 0.000 0.208 87 K C 1.774 178.356 176.600 -0.029 0.000 1.048 87 K CA 1.915 58.193 56.287 -0.014 0.000 0.929 87 K CB -0.119 32.344 32.500 -0.061 0.000 0.713 87 K HN 0.477 nan 8.250 nan 0.000 0.439 88 N N 0.053 118.730 118.700 -0.038 0.000 2.381 88 N HA -0.095 4.646 4.740 0.001 0.000 0.182 88 N C 0.529 176.029 175.510 -0.017 0.000 1.025 88 N CA 0.943 53.969 53.050 -0.039 0.000 0.888 88 N CB 0.001 38.461 38.487 -0.045 0.000 0.965 88 N HN 0.286 nan 8.380 nan 0.000 0.438 89 N N -0.749 117.950 118.700 -0.003 0.000 2.230 89 N HA 0.049 4.790 4.740 0.001 0.000 0.202 89 N C 0.115 175.629 175.510 0.007 0.000 1.119 89 N CA -0.120 52.932 53.050 0.004 0.000 0.851 89 N CB 0.692 39.186 38.487 0.012 0.000 0.990 89 N HN 0.105 nan 8.380 nan 0.000 0.497 90 S N -0.427 115.278 115.700 0.007 0.000 2.749 90 S HA 0.273 4.744 4.470 0.001 0.000 0.246 90 S C 0.126 174.731 174.600 0.009 0.000 1.023 90 S CA -0.583 57.624 58.200 0.012 0.000 1.012 90 S CB -0.163 63.049 63.200 0.020 0.000 0.942 90 S HN 0.049 nan 8.310 nan 0.000 0.531 91 L N 2.154 123.378 121.223 0.002 0.000 2.453 91 L HA 0.469 4.810 4.340 0.001 0.000 0.272 91 L C 0.493 177.365 176.870 0.003 0.000 1.182 91 L CA 0.316 55.155 54.840 -0.001 0.000 0.858 91 L CB 0.839 42.892 42.059 -0.008 0.000 1.120 91 L HN 0.281 nan 8.230 nan 0.000 0.474 92 T N 3.584 118.141 114.554 0.005 0.000 2.932 92 T HA 0.420 4.770 4.350 0.001 0.000 0.318 92 T C -2.799 171.903 174.700 0.003 0.000 1.265 92 T CA -1.374 60.729 62.100 0.005 0.000 1.036 92 T CB 2.054 70.927 68.868 0.007 0.000 1.209 92 T HN 0.261 nan 8.240 nan 0.000 0.484 93 P HA 0.166 nan 4.420 nan 0.000 0.265 93 P C -0.038 177.257 177.300 -0.008 0.000 1.193 93 P CA -0.132 62.968 63.100 0.000 0.000 0.765 93 P CB 0.226 31.925 31.700 -0.001 0.000 0.823 94 V N 2.874 122.784 119.914 -0.006 0.000 2.963 94 V HA -0.010 4.111 4.120 0.001 0.000 0.306 94 V C 0.968 177.030 176.094 -0.053 0.000 1.077 94 V CA -0.226 62.067 62.300 -0.013 0.000 1.124 94 V CB -0.643 31.182 31.823 0.002 0.000 0.987 94 V HN 0.464 nan 8.190 nan 0.000 0.487 95 E N 2.028 122.197 120.200 -0.052 0.000 2.529 95 E HA -0.001 4.349 4.350 0.001 0.000 0.259 95 E C 0.117 176.612 176.600 -0.176 0.000 0.966 95 E CA 0.427 56.774 56.400 -0.088 0.000 0.937 95 E CB 0.069 29.747 29.700 -0.037 0.000 0.923 95 E HN 0.461 nan 8.360 nan 0.000 0.468 96 K N 3.612 123.813 120.400 -0.330 0.000 2.480 96 K HA 0.141 4.461 4.320 0.001 0.000 0.241 96 K C -0.560 175.821 176.600 -0.365 0.000 1.261 96 K CA -0.207 55.621 56.287 -0.764 0.000 1.193 96 K CB -0.261 31.564 32.500 -1.124 0.000 1.598 96 K HN 0.341 nan 8.250 nan 0.000 0.278 97 N N 1.945 120.585 118.700 -0.099 0.000 2.321 97 N HA 0.326 5.067 4.740 0.001 0.000 0.299 97 N C -0.733 174.798 175.510 0.036 0.000 1.048 97 N CA -0.538 52.523 53.050 0.020 0.000 0.836 97 N CB 2.018 40.504 38.487 -0.001 0.000 1.269 97 N HN 0.156 nan 8.380 nan 0.000 0.486 98 L N 2.381 123.673 121.223 0.114 0.000 2.298 98 L HA 0.337 4.678 4.340 0.001 0.000 0.284 98 L C -0.138 176.739 176.870 0.012 0.000 1.013 98 L CA -0.508 54.312 54.840 -0.033 0.000 0.824 98 L CB 0.703 42.800 42.059 0.062 0.000 1.221 98 L HN 0.417 nan 8.230 nan 0.000 0.418 99 H N 3.749 122.689 119.070 -0.217 0.000 2.467 99 H HA 0.487 5.044 4.556 0.001 0.000 0.326 99 H C -1.068 173.981 175.328 -0.465 0.000 1.094 99 H CA -0.584 55.420 56.048 -0.074 0.000 1.253 99 H CB 1.449 31.392 29.762 0.301 0.000 1.439 99 H HN 0.326 nan 8.280 nan 0.000 0.479 100 F N 2.051 122.050 119.950 0.082 0.000 2.620 100 F HA 0.521 5.049 4.527 0.001 0.000 0.320 100 F C -0.319 175.647 175.800 0.277 0.000 1.069 100 F CA -0.826 57.191 58.000 0.028 0.000 0.953 100 F CB 1.656 40.635 39.000 -0.035 0.000 1.322 100 F HN 0.271 nan 8.300 nan 0.000 0.479 101 I N 1.289 122.193 120.570 0.556 0.000 2.569 101 I HA 0.259 4.430 4.170 0.001 0.000 0.290 101 I C -1.706 174.720 176.117 0.515 0.000 1.088 101 I CA -0.504 61.103 61.300 0.511 0.000 1.047 101 I CB 2.348 40.621 38.000 0.455 0.000 1.237 101 I HN 0.531 nan 8.210 nan 0.000 0.421 102 W N 8.882 130.335 121.300 0.255 0.000 2.728 102 W HA 0.577 5.238 4.660 0.001 0.000 0.324 102 W C -1.786 174.863 176.519 0.216 0.000 1.012 102 W CA -0.563 56.904 57.345 0.203 0.000 1.279 102 W CB 1.619 31.170 29.460 0.151 0.000 1.289 102 W HN 0.364 nan 8.180 nan 0.000 0.418 103 I N 2.053 122.435 120.570 -0.314 0.000 2.740 103 I HA 0.919 5.089 4.170 0.001 0.000 0.303 103 I C 0.827 176.771 176.117 -0.288 0.000 1.044 103 I CA -0.312 60.900 61.300 -0.148 0.000 1.064 103 I CB 2.104 40.088 38.000 -0.028 0.000 1.249 103 I HN 0.607 nan 8.210 nan 0.000 0.433 104 G N 2.222 110.963 108.800 -0.098 0.000 2.194 104 G HA2 0.121 4.082 3.960 0.001 0.000 0.236 104 G HA3 0.121 4.082 3.960 0.001 0.000 0.236 104 G C 0.256 175.229 174.900 0.123 0.000 0.987 104 G CA -0.103 44.965 45.100 -0.052 0.000 0.635 104 G HN 1.797 nan 8.290 nan 0.000 0.520 105 G N -1.326 107.664 108.800 0.317 0.000 2.340 105 G HA2 0.580 4.541 3.960 0.001 0.000 0.299 105 G HA3 0.580 4.541 3.960 0.001 0.000 0.299 105 G C -1.021 174.283 174.900 0.673 0.000 1.291 105 G CA 0.269 45.713 45.100 0.573 0.000 0.841 105 G HN 0.707 nan 8.290 nan 0.000 0.500 106 Q N 0.053 120.158 119.800 0.508 0.000 2.297 106 Q HA 0.375 4.716 4.340 0.001 0.000 0.267 106 Q C 0.354 176.446 176.000 0.152 0.000 1.006 106 Q CA -0.409 55.494 55.803 0.166 0.000 0.896 106 Q CB 0.874 29.540 28.738 -0.121 0.000 1.186 106 Q HN 0.531 nan 8.270 nan 0.000 0.392 107 I N 4.764 125.301 120.570 -0.054 0.000 2.741 107 I HA -0.090 4.080 4.170 0.001 0.000 0.288 107 I C 0.317 176.184 176.117 -0.418 0.000 1.192 107 I CA 0.319 61.291 61.300 -0.547 0.000 1.426 107 I CB 0.236 38.031 38.000 -0.342 0.000 1.367 107 I HN 0.741 nan 8.210 nan 0.000 0.563 108 N N 5.084 123.452 118.700 -0.553 0.000 2.467 108 N HA -0.016 4.725 4.740 0.001 0.000 0.262 108 N C 0.292 175.645 175.510 -0.260 0.000 1.234 108 N CA -0.299 52.558 53.050 -0.322 0.000 0.952 108 N CB 1.122 39.423 38.487 -0.309 0.000 1.158 108 N HN 0.586 nan 8.380 nan 0.000 0.463 109 D N 0.491 120.796 120.400 -0.158 0.000 2.178 109 D HA -0.111 4.530 4.640 0.001 0.000 0.201 109 D C 1.478 177.733 176.300 -0.074 0.000 0.980 109 D CA 1.461 55.398 54.000 -0.106 0.000 0.842 109 D CB -0.101 40.660 40.800 -0.064 0.000 0.948 109 D HN 0.518 nan 8.370 nan 0.000 0.472 110 T N 0.259 114.764 114.554 -0.081 0.000 2.684 110 T HA -0.197 4.154 4.350 0.001 0.000 0.267 110 T C 2.095 176.758 174.700 -0.062 0.000 1.036 110 T CA 1.558 63.644 62.100 -0.024 0.000 1.148 110 T CB -0.483 68.332 68.868 -0.089 0.000 0.863 110 T HN 0.254 nan 8.240 nan 0.000 0.436 111 A N 1.705 124.383 122.820 -0.236 0.000 1.883 111 A HA -0.091 4.230 4.320 0.001 0.000 0.217 111 A C 2.212 179.704 177.584 -0.154 0.000 1.186 111 A CA 1.299 53.180 52.037 -0.261 0.000 0.624 111 A CB -0.721 18.020 19.000 -0.431 0.000 0.822 111 A HN 0.399 nan 8.150 nan 0.000 0.444 112 I N 0.675 121.153 120.570 -0.153 0.000 2.163 112 I HA -0.276 3.895 4.170 0.001 0.000 0.243 112 I C 1.980 178.066 176.117 -0.051 0.000 1.085 112 I CA 1.878 63.103 61.300 -0.124 0.000 1.347 112 I CB -2.048 35.885 38.000 -0.111 0.000 1.044 112 I HN 0.435 nan 8.210 nan 0.000 0.408 113 N N -0.529 118.191 118.700 0.033 0.000 2.244 113 N HA -0.179 4.562 4.740 0.001 0.000 0.183 113 N C 1.978 177.551 175.510 0.104 0.000 1.016 113 N CA 0.857 53.952 53.050 0.076 0.000 0.866 113 N CB -0.185 38.368 38.487 0.110 0.000 0.980 113 N HN 0.365 nan 8.380 nan 0.000 0.430 114 Y N 0.970 121.250 120.300 -0.033 0.000 2.184 114 Y HA -0.048 4.503 4.550 0.001 0.000 0.290 114 Y C 2.147 178.063 175.900 0.027 0.000 1.129 114 Y CA 0.493 58.602 58.100 0.015 0.000 1.144 114 Y CB -0.087 38.419 38.460 0.077 0.000 0.995 114 Y HN 0.003 nan 8.280 nan 0.000 0.513 115 I N 0.337 120.917 120.570 0.015 0.000 2.151 115 I HA -0.396 3.775 4.170 0.001 0.000 0.243 115 I C 1.846 177.914 176.117 -0.083 0.000 1.080 115 I CA 1.341 62.460 61.300 -0.303 0.000 1.339 115 I CB -0.476 37.126 38.000 -0.663 0.000 1.039 115 I HN 0.318 nan 8.210 nan 0.000 0.409 116 N N 0.467 119.122 118.700 -0.076 0.000 2.149 116 N HA -0.191 4.549 4.740 0.001 0.000 0.188 116 N C 1.846 177.305 175.510 -0.085 0.000 1.019 116 N CA 1.108 54.120 53.050 -0.064 0.000 0.857 116 N CB -0.304 38.146 38.487 -0.063 0.000 0.997 116 N HN 0.413 nan 8.380 nan 0.000 0.426 117 Q N -0.304 119.404 119.800 -0.153 0.000 2.050 117 Q HA -0.112 4.229 4.340 0.001 0.000 0.202 117 Q C 2.149 177.932 176.000 -0.362 0.000 0.980 117 Q CA 1.146 56.734 55.803 -0.359 0.000 0.840 117 Q CB -0.808 27.543 28.738 -0.646 0.000 0.898 117 Q HN 0.532 nan 8.270 nan 0.000 0.424 118 W N 1.784 122.952 121.300 -0.221 0.000 2.335 118 W HA -0.156 4.504 4.660 0.001 0.000 0.311 118 W C 2.516 178.989 176.519 -0.076 0.000 1.213 118 W CA 1.295 58.569 57.345 -0.119 0.000 1.274 118 W CB -0.362 29.141 29.460 0.071 0.000 1.148 118 W HN 0.158 nan 8.180 nan 0.000 0.498 119 K N 0.418 120.925 120.400 0.179 0.000 2.032 119 K HA -0.232 4.088 4.320 0.001 0.000 0.209 119 K C 1.502 178.126 176.600 0.040 0.000 1.048 119 K CA 2.167 58.514 56.287 0.099 0.000 0.927 119 K CB -0.386 32.138 32.500 0.040 0.000 0.712 119 K HN -0.003 nan 8.250 nan 0.000 0.441 120 D N -0.008 120.379 120.400 -0.021 0.000 2.144 120 D HA -0.140 4.500 4.640 0.001 0.000 0.199 120 D C 1.646 177.925 176.300 -0.036 0.000 0.984 120 D CA 1.496 55.467 54.000 -0.047 0.000 0.834 120 D CB 0.026 40.761 40.800 -0.109 0.000 0.955 120 D HN 0.300 nan 8.370 nan 0.000 0.465 121 V N -2.173 117.713 119.914 -0.047 0.000 3.621 121 V HA 0.258 4.378 4.120 0.001 0.000 0.285 121 V C 0.128 176.224 176.094 0.003 0.000 1.346 121 V CA -0.017 62.264 62.300 -0.032 0.000 1.104 121 V CB -0.133 31.660 31.823 -0.051 0.000 0.913 121 V HN -0.048 nan 8.190 nan 0.000 0.432 122 N N 1.543 120.264 118.700 0.035 0.000 2.757 122 N HA 0.180 4.921 4.740 0.001 0.000 0.296 122 N C 1.229 176.835 175.510 0.160 0.000 1.874 122 N CA 0.731 53.827 53.050 0.077 0.000 0.885 122 N CB 1.402 39.866 38.487 -0.038 0.000 1.242 122 N HN 0.628 nan 8.380 nan 0.000 0.488 123 S N -0.255 115.517 115.700 0.119 0.000 2.474 123 S HA -0.148 4.323 4.470 0.001 0.000 0.235 123 S C 1.112 175.788 174.600 0.127 0.000 0.997 123 S CA 0.837 59.100 58.200 0.104 0.000 0.949 123 S CB -0.070 63.168 63.200 0.064 0.000 0.766 123 S HN 0.359 nan 8.310 nan 0.000 0.517 124 D N -0.828 119.680 120.400 0.181 0.000 2.340 124 D HA 0.040 4.681 4.640 0.001 0.000 0.220 124 D C -0.263 176.113 176.300 0.127 0.000 1.039 124 D CA -0.132 53.953 54.000 0.142 0.000 0.866 124 D CB -0.438 40.432 40.800 0.117 0.000 0.913 124 D HN 0.427 nan 8.370 nan 0.000 0.523 125 Y N 0.545 120.874 120.300 0.048 0.000 2.387 125 Y HA 0.404 4.955 4.550 0.001 0.000 0.330 125 Y C 0.596 176.527 175.900 0.053 0.000 1.133 125 Y CA -0.815 57.315 58.100 0.050 0.000 1.152 125 Y CB 1.924 40.423 38.460 0.065 0.000 1.215 125 Y HN -0.322 nan 8.280 nan 0.000 0.466 126 T N 3.326 117.973 114.554 0.156 0.000 2.733 126 T HA 0.375 4.725 4.350 0.001 0.000 0.294 126 T C -0.519 174.271 174.700 0.149 0.000 0.956 126 T CA -0.556 61.615 62.100 0.118 0.000 0.987 126 T CB 0.160 69.070 68.868 0.069 0.000 0.920 126 T HN 0.267 nan 8.240 nan 0.000 0.470 127 V N 5.337 125.335 119.914 0.139 0.000 2.461 127 V HA 0.328 4.449 4.120 0.001 0.000 0.275 127 V C 0.289 176.425 176.094 0.069 0.000 1.047 127 V CA -0.380 62.014 62.300 0.157 0.000 0.955 127 V CB 0.752 32.671 31.823 0.160 0.000 0.988 127 V HN 0.722 nan 8.190 nan 0.000 0.471 128 K N 3.855 124.273 120.400 0.029 0.000 2.413 128 K HA 0.595 4.916 4.320 0.001 0.000 0.257 128 K C -1.272 175.166 176.600 -0.269 0.000 0.946 128 K CA -0.623 55.514 56.287 -0.250 0.000 0.823 128 K CB 2.308 34.454 32.500 -0.590 0.000 1.109 128 K HN 0.437 nan 8.250 nan 0.000 0.427 129 V N 4.935 124.746 119.914 -0.171 0.000 2.277 129 V HA 0.264 4.385 4.120 0.001 0.000 0.269 129 V C -0.447 175.670 176.094 0.038 0.000 1.036 129 V CA -0.768 61.537 62.300 0.008 0.000 0.821 129 V CB -0.531 31.331 31.823 0.065 0.000 1.052 129 V HN 0.555 nan 8.190 nan 0.000 0.462 130 F N 5.548 125.618 119.950 0.199 0.000 2.529 130 F HA 0.473 5.001 4.527 0.001 0.000 0.365 130 F C 0.264 176.193 175.800 0.215 0.000 1.102 130 F CA -0.115 57.946 58.000 0.101 0.000 1.271 130 F CB 0.167 39.139 39.000 -0.048 0.000 1.120 130 F HN 0.619 nan 8.300 nan 0.000 0.579 131 Y N -0.562 119.866 120.300 0.213 0.000 2.655 131 Y HA 0.590 5.140 4.550 0.001 0.000 0.336 131 Y C -1.757 174.153 175.900 0.017 0.000 1.154 131 Y CA -1.751 56.428 58.100 0.132 0.000 1.055 131 Y CB 1.334 39.905 38.460 0.186 0.000 1.295 131 Y HN 0.413 nan 8.280 nan 0.000 0.465 132 D N 1.060 121.414 120.400 -0.076 0.000 2.453 132 D HA 0.192 4.833 4.640 0.001 0.000 0.238 132 D C 0.397 176.449 176.300 -0.413 0.000 1.088 132 D CA 0.019 53.882 54.000 -0.229 0.000 0.854 132 D CB 1.792 42.559 40.800 -0.054 0.000 1.076 132 D HN 0.736 nan 8.370 nan 0.000 0.533 133 S N 3.028 118.550 115.700 -0.296 0.000 2.515 133 S HA -0.083 4.388 4.470 0.001 0.000 0.231 133 S C 0.996 175.549 174.600 -0.080 0.000 0.987 133 S CA 0.348 58.479 58.200 -0.116 0.000 0.936 133 S CB -0.006 63.332 63.200 0.230 0.000 0.766 133 S HN 0.318 nan 8.310 nan 0.000 0.528 134 N N 1.965 120.612 118.700 -0.089 0.000 2.336 134 N HA 0.363 5.104 4.740 0.001 0.000 0.189 134 N C 0.020 175.527 175.510 -0.005 0.000 1.113 134 N CA 0.703 53.762 53.050 0.015 0.000 0.858 134 N CB 0.634 39.156 38.487 0.058 0.000 0.970 134 N HN 0.568 nan 8.380 nan 0.000 0.471 135 A N -0.296 122.438 122.820 -0.144 0.000 3.156 135 A HA 0.404 4.725 4.320 0.001 0.000 0.311 135 A C -0.448 177.052 177.584 -0.140 0.000 1.129 135 A CA -0.482 51.505 52.037 -0.084 0.000 0.809 135 A CB -0.501 18.458 19.000 -0.069 0.000 1.257 135 A HN 0.060 nan 8.150 nan 0.000 0.491 136 F N 0.053 120.085 119.950 0.137 0.000 2.746 136 F HA 0.234 4.762 4.527 0.001 0.000 0.297 136 F C 1.456 177.377 175.800 0.202 0.000 1.113 136 F CA 0.648 58.758 58.000 0.183 0.000 1.367 136 F CB 0.392 39.499 39.000 0.179 0.000 1.111 136 F HN 0.470 nan 8.300 nan 0.000 0.590 137 L N -0.328 121.040 121.223 0.241 0.000 2.607 137 L HA 0.050 4.391 4.340 0.001 0.000 0.228 137 L C 1.833 178.645 176.870 -0.097 0.000 1.123 137 L CA -0.180 54.712 54.840 0.085 0.000 0.890 137 L CB -0.131 41.965 42.059 0.063 0.000 1.103 137 L HN 0.059 nan 8.230 nan 0.000 0.468 138 I N 0.524 121.035 120.570 -0.098 0.000 2.163 138 I HA -0.303 3.867 4.170 0.001 0.000 0.243 138 I C 1.844 177.770 176.117 -0.318 0.000 1.085 138 I CA 1.811 62.968 61.300 -0.239 0.000 1.347 138 I CB -1.076 36.839 38.000 -0.143 0.000 1.044 138 I HN 0.415 nan 8.210 nan 0.000 0.408 139 N N -0.189 118.408 118.700 -0.172 0.000 2.309 139 N HA -0.120 4.621 4.740 0.001 0.000 0.182 139 N C 1.633 177.002 175.510 -0.234 0.000 1.018 139 N CA 1.414 54.366 53.050 -0.163 0.000 0.876 139 N CB 0.015 38.478 38.487 -0.040 0.000 0.972 139 N HN 0.356 nan 8.380 nan 0.000 0.434 140 T N 1.098 115.497 114.554 -0.258 0.000 2.737 140 T HA -0.079 4.272 4.350 0.001 0.000 0.265 140 T C 1.822 176.290 174.700 -0.386 0.000 1.038 140 T CA 0.534 62.455 62.100 -0.297 0.000 1.144 140 T CB -0.247 68.452 68.868 -0.282 0.000 0.866 140 T HN 0.097 nan 8.240 nan 0.000 0.434 141 L N 1.628 122.546 121.223 -0.507 0.000 1.994 141 L HA -0.005 4.335 4.340 0.001 0.000 0.208 141 L C 2.351 178.656 176.870 -0.942 0.000 1.071 141 L CA 1.961 56.351 54.840 -0.750 0.000 0.745 141 L CB -0.661 40.788 42.059 -1.016 0.000 0.892 141 L HN 0.108 nan 8.230 nan 0.000 0.431 142 K N -0.237 119.555 120.400 -1.014 0.000 1.991 142 K HA -0.284 4.037 4.320 0.001 0.000 0.212 142 K C 2.357 178.758 176.600 -0.332 0.000 1.049 142 K CA 2.121 57.961 56.287 -0.746 0.000 0.932 142 K CB -0.344 31.961 32.500 -0.325 0.000 0.717 142 K HN 0.296 nan 8.250 nan 0.000 0.441 143 K N -0.227 120.017 120.400 -0.260 0.000 2.074 143 K HA -0.166 4.154 4.320 0.001 0.000 0.209 143 K C 1.782 178.250 176.600 -0.220 0.000 1.048 143 K CA 2.149 58.334 56.287 -0.170 0.000 0.926 143 K CB -0.195 32.218 32.500 -0.145 0.000 0.713 143 K HN 0.256 nan 8.250 nan 0.000 0.444 144 T N 1.877 116.232 114.554 -0.332 0.000 2.643 144 T HA -0.137 4.214 4.350 0.001 0.000 0.264 144 T C 1.808 176.234 174.700 -0.456 0.000 1.045 144 T CA 1.460 63.316 62.100 -0.407 0.000 1.155 144 T CB -0.138 68.406 68.868 -0.539 0.000 0.863 144 T HN 0.133 nan 8.240 nan 0.000 0.420 145 I N 1.200 121.478 120.570 -0.487 0.000 2.208 145 I HA -0.121 4.049 4.170 0.001 0.000 0.245 145 I C 2.559 178.591 176.117 -0.141 0.000 1.097 145 I CA 1.179 62.295 61.300 -0.306 0.000 1.363 145 I CB -1.317 36.598 38.000 -0.142 0.000 1.051 145 I HN 0.132 nan 8.210 nan 0.000 0.413 146 V N 0.626 120.480 119.914 -0.100 0.000 2.358 146 V HA -0.227 3.894 4.120 0.001 0.000 0.246 146 V C 2.434 178.462 176.094 -0.109 0.000 1.047 146 V CA 1.582 63.852 62.300 -0.050 0.000 1.035 146 V CB -0.591 31.271 31.823 0.066 0.000 0.658 146 V HN 0.386 nan 8.190 nan 0.000 0.452 147 E N -0.123 120.005 120.200 -0.120 0.000 2.047 147 E HA -0.184 4.167 4.350 0.001 0.000 0.191 147 E C 2.439 178.977 176.600 -0.103 0.000 0.987 147 E CA 1.352 57.676 56.400 -0.127 0.000 0.799 147 E CB -0.268 29.371 29.700 -0.102 0.000 0.752 147 E HN 0.486 nan 8.360 nan 0.000 0.449 148 S N 0.244 115.899 115.700 -0.076 0.000 2.380 148 S HA -0.266 4.205 4.470 0.001 0.000 0.229 148 S C 2.027 176.607 174.600 -0.034 0.000 1.043 148 S CA 1.465 59.666 58.200 0.002 0.000 1.038 148 S CB -0.209 63.073 63.200 0.137 0.000 0.872 148 S HN 0.353 nan 8.310 nan 0.000 0.456 149 A N 0.203 122.973 122.820 -0.084 0.000 1.898 149 A HA -0.007 4.314 4.320 0.001 0.000 0.216 149 A C 2.379 179.843 177.584 -0.200 0.000 1.181 149 A CA 2.072 54.026 52.037 -0.139 0.000 0.620 149 A CB -1.502 17.390 19.000 -0.180 0.000 0.819 149 A HN 0.586 nan 8.150 nan 0.000 0.442 150 T N 1.133 115.561 114.554 -0.209 0.000 2.622 150 T HA -0.178 4.173 4.350 0.001 0.000 0.266 150 T C 1.870 176.498 174.700 -0.119 0.000 1.047 150 T CA 1.670 63.645 62.100 -0.208 0.000 1.159 150 T CB -0.493 68.174 68.868 -0.335 0.000 0.863 150 T HN 0.526 nan 8.240 nan 0.000 0.422 151 N N 1.777 120.427 118.700 -0.083 0.000 2.061 151 N HA -0.089 4.652 4.740 0.001 0.000 0.193 151 N C 1.735 177.240 175.510 -0.008 0.000 1.030 151 N CA 1.008 54.054 53.050 -0.006 0.000 0.856 151 N CB -0.704 37.798 38.487 0.026 0.000 1.023 151 N HN 0.380 nan 8.380 nan 0.000 0.424 152 N N 0.147 118.825 118.700 -0.036 0.000 2.364 152 N HA -0.058 4.683 4.740 0.001 0.000 0.183 152 N C 1.233 176.707 175.510 -0.059 0.000 1.022 152 N CA 0.978 54.008 53.050 -0.032 0.000 0.883 152 N CB -0.184 38.280 38.487 -0.038 0.000 0.965 152 N HN 0.320 nan 8.380 nan 0.000 0.438 153 T N 1.271 115.744 114.554 -0.135 0.000 2.978 153 T HA 0.125 4.476 4.350 0.001 0.000 0.262 153 T C 2.135 176.710 174.700 -0.208 0.000 1.063 153 T CA 0.288 62.253 62.100 -0.224 0.000 1.140 153 T CB 0.125 68.708 68.868 -0.475 0.000 0.886 153 T HN 0.129 nan 8.240 nan 0.000 0.470 154 L N 0.916 122.040 121.223 -0.164 0.000 2.156 154 L HA 0.014 4.355 4.340 0.001 0.000 0.208 154 L C 2.589 179.404 176.870 -0.093 0.000 1.095 154 L CA 0.801 55.487 54.840 -0.256 0.000 0.770 154 L CB -0.462 41.263 42.059 -0.556 0.000 0.914 154 L HN 0.107 nan 8.230 nan 0.000 0.439 155 E N -0.099 120.126 120.200 0.041 0.000 2.265 155 E HA -0.125 4.226 4.350 0.001 0.000 0.196 155 E C 2.196 178.896 176.600 0.166 0.000 0.996 155 E CA 0.865 57.353 56.400 0.146 0.000 0.832 155 E CB -0.113 29.662 29.700 0.125 0.000 0.756 155 E HN 0.354 nan 8.360 nan 0.000 0.491 156 S N -0.122 115.693 115.700 0.192 0.000 2.501 156 S HA 0.064 4.535 4.470 0.001 0.000 0.220 156 S C 0.804 175.683 174.600 0.465 0.000 0.997 156 S CA 0.010 58.377 58.200 0.278 0.000 0.919 156 S CB 0.030 63.384 63.200 0.258 0.000 0.778 156 S HN 0.125 nan 8.310 nan 0.000 0.523 157 F N 1.757 121.776 119.950 0.116 0.000 2.639 157 F HA 0.415 4.943 4.527 0.001 0.000 0.300 157 F C 1.710 177.616 175.800 0.176 0.000 1.109 157 F CA -1.136 57.001 58.000 0.228 0.000 1.335 157 F CB -0.408 38.728 39.000 0.226 0.000 1.014 157 F HN 0.038 nan 8.300 nan 0.000 0.537 158 R N 0.653 121.336 120.500 0.304 0.000 2.143 158 R HA -0.196 4.145 4.340 0.001 0.000 0.239 158 R C 1.486 177.925 176.300 0.233 0.000 1.126 158 R CA 2.106 58.362 56.100 0.261 0.000 0.927 158 R CB 0.031 30.466 30.300 0.226 0.000 0.860 158 R HN 0.134 nan 8.270 nan 0.000 0.433 159 E N -0.090 120.212 120.200 0.170 0.000 2.452 159 E HA 0.023 4.374 4.350 0.001 0.000 0.197 159 E C -0.348 176.292 176.600 0.066 0.000 1.022 159 E CA 0.179 56.648 56.400 0.116 0.000 0.890 159 E CB 0.208 29.958 29.700 0.082 0.000 0.918 159 E HN 0.341 nan 8.360 nan 0.000 0.496 160 N N 1.333 120.068 118.700 0.059 0.000 2.645 160 N HA 0.186 4.927 4.740 0.001 0.000 0.233 160 N C 0.484 175.995 175.510 0.001 0.000 1.058 160 N CA -0.005 52.988 53.050 -0.095 0.000 0.942 160 N CB 1.300 39.593 38.487 -0.324 0.000 1.210 160 N HN 0.046 nan 8.380 nan 0.000 0.512 161 L N 1.321 122.556 121.223 0.021 0.000 2.713 161 L HA 0.339 4.680 4.340 0.001 0.000 0.223 161 L C 1.079 177.975 176.870 0.043 0.000 1.040 161 L CA 0.235 55.135 54.840 0.100 0.000 0.894 161 L CB 0.250 42.378 42.059 0.114 0.000 1.361 161 L HN 0.301 nan 8.230 nan 0.000 0.490 162 N N 0.275 118.971 118.700 -0.007 0.000 2.188 162 N HA -0.065 4.676 4.740 0.001 0.000 0.184 162 N C -0.317 175.161 175.510 -0.054 0.000 1.018 162 N CA 1.014 54.050 53.050 -0.024 0.000 0.858 162 N CB 0.107 38.575 38.487 -0.032 0.000 0.989 162 N HN 0.398 nan 8.380 nan 0.000 0.426 163 D N -1.444 118.876 120.400 -0.133 0.000 2.423 163 D HA 0.294 4.935 4.640 0.001 0.000 0.235 163 D C -1.552 174.461 176.300 -0.477 0.000 1.011 163 D CA -1.683 52.187 54.000 -0.217 0.000 0.963 163 D CB 2.603 43.281 40.800 -0.203 0.000 1.349 163 D HN -0.103 nan 8.370 nan 0.000 0.508 164 P HA 0.174 nan 4.420 nan 0.000 0.205 164 P C -0.008 177.256 177.300 -0.059 0.000 1.105 164 P CA 0.454 63.437 63.100 -0.196 0.000 0.925 164 P CB 1.169 32.765 31.700 -0.173 0.000 0.765 165 E N -0.322 119.887 120.200 0.016 0.000 4.052 165 E HA 0.272 4.622 4.350 0.001 0.000 0.219 165 E C -1.091 175.713 176.600 0.341 0.000 1.166 165 E CA -0.555 55.932 56.400 0.145 0.000 1.338 165 E CB -0.109 29.660 29.700 0.115 0.000 1.212 165 E HN 0.053 nan 8.360 nan 0.000 0.432 166 F N 2.836 122.783 119.950 -0.006 0.000 2.405 166 F HA 0.186 4.714 4.527 0.001 0.000 0.358 166 F C 1.001 176.883 175.800 0.136 0.000 1.151 166 F CA -1.140 56.853 58.000 -0.013 0.000 1.161 166 F CB 0.118 39.011 39.000 -0.178 0.000 1.245 166 F HN 0.082 nan 8.300 nan 0.000 0.545 167 D N 2.148 122.682 120.400 0.224 0.000 2.727 167 D HA 0.098 4.739 4.640 0.001 0.000 0.264 167 D C 1.224 177.405 176.300 -0.199 0.000 1.101 167 D CA -0.573 53.525 54.000 0.163 0.000 1.122 167 D CB 0.082 41.065 40.800 0.305 0.000 1.390 167 D HN 0.318 nan 8.370 nan 0.000 0.606 168 Y N 0.376 120.532 120.300 -0.240 0.000 2.173 168 Y HA -0.263 4.288 4.550 0.001 0.000 0.282 168 Y C 1.479 177.440 175.900 0.101 0.000 1.192 168 Y CA 1.792 59.834 58.100 -0.097 0.000 1.176 168 Y CB -1.389 37.152 38.460 0.135 0.000 0.969 168 Y HN 0.154 nan 8.280 nan 0.000 0.519 169 N N 1.024 119.312 118.700 -0.687 0.000 2.058 169 N HA -0.173 4.568 4.740 0.001 0.000 0.191 169 N C 1.806 177.223 175.510 -0.156 0.000 1.037 169 N CA 1.877 54.612 53.050 -0.525 0.000 0.848 169 N CB -0.451 37.726 38.487 -0.517 0.000 1.021 169 N HN 0.433 nan 8.380 nan 0.000 0.422 170 K N 0.643 120.993 120.400 -0.083 0.000 2.057 170 K HA -0.064 4.256 4.320 0.001 0.000 0.206 170 K C 1.968 178.625 176.600 0.095 0.000 1.050 170 K CA 0.694 56.973 56.287 -0.013 0.000 0.935 170 K CB -0.519 31.939 32.500 -0.070 0.000 0.715 170 K HN 0.067 nan 8.250 nan 0.000 0.439 171 F N 0.204 120.106 119.950 -0.081 0.000 2.046 171 F HA -0.218 4.309 4.527 0.001 0.000 0.297 171 F C 1.592 177.251 175.800 -0.236 0.000 1.123 171 F CA 1.730 59.560 58.000 -0.285 0.000 1.199 171 F CB -0.742 37.922 39.000 -0.561 0.000 0.972 171 F HN 0.068 nan 8.300 nan 0.000 0.474 172 Y N 0.589 120.763 120.300 -0.211 0.000 2.165 172 Y HA -0.243 4.308 4.550 0.001 0.000 0.286 172 Y C 2.676 178.408 175.900 -0.280 0.000 1.155 172 Y CA 1.753 59.701 58.100 -0.253 0.000 1.164 172 Y CB -0.579 37.850 38.460 -0.051 0.000 0.978 172 Y HN -0.042 nan 8.280 nan 0.000 0.513 173 R N 0.450 120.921 120.500 -0.048 0.000 2.080 173 R HA -0.138 4.203 4.340 0.001 0.000 0.236 173 R C 2.013 178.218 176.300 -0.157 0.000 1.137 173 R CA 1.313 57.366 56.100 -0.078 0.000 0.943 173 R CB -0.473 29.804 30.300 -0.039 0.000 0.846 173 R HN 0.290 nan 8.270 nan 0.000 0.431 174 K N 0.285 120.574 120.400 -0.185 0.000 2.155 174 K HA -0.061 4.260 4.320 0.001 0.000 0.203 174 K C 2.075 178.484 176.600 -0.318 0.000 1.052 174 K CA 0.546 56.717 56.287 -0.193 0.000 0.948 174 K CB -0.179 32.257 32.500 -0.107 0.000 0.728 174 K HN 0.145 nan 8.250 nan 0.000 0.448 175 R N 0.641 120.827 120.500 -0.524 0.000 2.081 175 R HA -0.091 4.250 4.340 0.001 0.000 0.235 175 R C 2.324 178.365 176.300 -0.431 0.000 1.131 175 R CA 1.422 57.164 56.100 -0.596 0.000 0.960 175 R CB -0.164 29.553 30.300 -0.972 0.000 0.856 175 R HN 0.003 nan 8.270 nan 0.000 0.436 176 M N 1.348 120.697 119.600 -0.418 0.000 2.149 176 M HA -0.157 4.324 4.480 0.001 0.000 0.261 176 M C 1.457 177.417 176.300 -0.567 0.000 1.064 176 M CA 1.791 56.783 55.300 -0.514 0.000 1.102 176 M CB -0.003 32.244 32.600 -0.588 0.000 1.369 176 M HN 0.161 nan 8.290 nan 0.000 0.408 177 E N -0.278 119.683 120.200 -0.397 0.000 2.077 177 E HA -0.195 4.155 4.350 0.001 0.000 0.193 177 E C 1.929 178.481 176.600 -0.080 0.000 0.989 177 E CA 1.458 57.759 56.400 -0.165 0.000 0.800 177 E CB -0.219 29.452 29.700 -0.047 0.000 0.746 177 E HN 0.478 nan 8.360 nan 0.000 0.452 178 I N 1.001 121.484 120.570 -0.144 0.000 2.202 178 I HA -0.229 3.942 4.170 0.001 0.000 0.242 178 I C 2.474 178.518 176.117 -0.122 0.000 1.091 178 I CA 1.120 62.355 61.300 -0.108 0.000 1.368 178 I CB -0.988 36.928 38.000 -0.140 0.000 1.058 178 I HN 0.152 nan 8.210 nan 0.000 0.410 179 I N 0.359 120.793 120.570 -0.227 0.000 2.087 179 I HA -0.429 3.742 4.170 0.001 0.000 0.240 179 I C 2.764 178.724 176.117 -0.261 0.000 1.054 179 I CA 2.084 63.195 61.300 -0.314 0.000 1.311 179 I CB -0.690 36.963 38.000 -0.578 0.000 1.024 179 I HN 0.150 nan 8.210 nan 0.000 0.402 180 Y N 1.888 121.985 120.300 -0.338 0.000 2.114 180 Y HA -0.366 4.184 4.550 0.002 0.000 0.282 180 Y C 2.295 178.165 175.900 -0.050 0.000 1.165 180 Y CA 2.108 60.102 58.100 -0.178 0.000 1.148 180 Y CB -0.409 38.035 38.460 -0.027 0.000 0.972 180 Y HN 0.237 nan 8.280 nan 0.000 0.504 181 D N 0.019 120.436 120.400 0.029 0.000 2.133 181 D HA -0.182 4.459 4.640 0.001 0.000 0.195 181 D C 2.034 178.340 176.300 0.011 0.000 0.997 181 D CA 1.735 55.747 54.000 0.019 0.000 0.840 181 D CB -0.168 40.671 40.800 0.066 0.000 0.947 181 D HN 0.436 nan 8.370 nan 0.000 0.452 182 K N 0.079 120.494 120.400 0.025 0.000 2.076 182 K HA -0.079 4.242 4.320 0.001 0.000 0.204 182 K C 2.170 178.911 176.600 0.236 0.000 1.051 182 K CA 0.534 56.912 56.287 0.152 0.000 0.949 182 K CB -0.029 32.561 32.500 0.149 0.000 0.726 182 K HN 0.108 nan 8.250 nan 0.000 0.443 183 Q N 1.523 121.362 119.800 0.065 0.000 2.079 183 Q HA -0.170 4.171 4.340 0.001 0.000 0.200 183 Q C 2.075 178.045 176.000 -0.049 0.000 0.974 183 Q CA 1.508 57.309 55.803 -0.004 0.000 0.840 183 Q CB 0.138 28.631 28.738 -0.408 0.000 0.898 183 Q HN 0.096 nan 8.270 nan 0.000 0.430 184 K N -0.452 119.808 120.400 -0.232 0.000 2.097 184 K HA -0.232 4.089 4.320 0.001 0.000 0.206 184 K C 2.221 178.818 176.600 -0.005 0.000 1.049 184 K CA 1.362 57.518 56.287 -0.220 0.000 0.933 184 K CB -0.282 31.973 32.500 -0.408 0.000 0.717 184 K HN 0.413 nan 8.250 nan 0.000 0.442 185 H N -0.234 118.856 119.070 0.034 0.000 2.352 185 H HA -0.190 4.367 4.556 0.001 0.000 0.299 185 H C 1.971 177.423 175.328 0.207 0.000 1.097 185 H CA 2.016 58.153 56.048 0.149 0.000 1.311 185 H CB -0.175 29.717 29.762 0.217 0.000 1.377 185 H HN 0.265 nan 8.280 nan 0.000 0.504 186 F N 1.117 121.143 119.950 0.127 0.000 2.084 186 F HA -0.115 4.413 4.527 0.001 0.000 0.296 186 F C 2.493 178.280 175.800 -0.022 0.000 1.111 186 F CA 1.224 59.095 58.000 -0.215 0.000 1.224 186 F CB -0.754 38.104 39.000 -0.235 0.000 0.991 186 F HN 0.045 nan 8.300 nan 0.000 0.471 187 I N 0.632 121.106 120.570 -0.160 0.000 2.163 187 I HA -0.335 3.835 4.170 0.001 0.000 0.243 187 I C 2.041 178.054 176.117 -0.175 0.000 1.085 187 I CA 1.688 62.871 61.300 -0.194 0.000 1.347 187 I CB -0.690 37.286 38.000 -0.040 0.000 1.044 187 I HN 0.149 nan 8.210 nan 0.000 0.408 188 D N -0.055 120.264 120.400 -0.135 0.000 2.149 188 D HA -0.239 4.402 4.640 0.001 0.000 0.198 188 D C 1.888 178.111 176.300 -0.128 0.000 0.990 188 D CA 1.391 55.319 54.000 -0.119 0.000 0.839 188 D CB -0.316 40.424 40.800 -0.100 0.000 0.948 188 D HN 0.397 nan 8.370 nan 0.000 0.460 189 Y N 0.340 120.476 120.300 -0.273 0.000 2.133 189 Y HA -0.292 4.259 4.550 0.001 0.000 0.287 189 Y C 2.369 178.130 175.900 -0.232 0.000 1.134 189 Y CA 1.492 59.470 58.100 -0.203 0.000 1.133 189 Y CB -0.782 37.627 38.460 -0.085 0.000 0.987 189 Y HN 0.002 nan 8.280 nan 0.000 0.502 190 Y N 1.411 121.398 120.300 -0.522 0.000 2.114 190 Y HA -0.309 4.242 4.550 0.001 0.000 0.282 190 Y C 2.159 177.857 175.900 -0.336 0.000 1.165 190 Y CA 2.469 60.256 58.100 -0.522 0.000 1.148 190 Y CB -0.584 37.444 38.460 -0.721 0.000 0.972 190 Y HN 0.100 nan 8.280 nan 0.000 0.504 191 K N -0.484 119.577 120.400 -0.565 0.000 2.097 191 K HA -0.164 4.157 4.320 0.001 0.000 0.206 191 K C 2.572 178.934 176.600 -0.396 0.000 1.049 191 K CA 1.378 57.347 56.287 -0.530 0.000 0.933 191 K CB -0.392 31.952 32.500 -0.260 0.000 0.717 191 K HN 0.278 nan 8.250 nan 0.000 0.442 192 S N 0.589 116.089 115.700 -0.332 0.000 2.368 192 S HA -0.135 4.336 4.470 0.001 0.000 0.224 192 S C 1.954 176.392 174.600 -0.269 0.000 1.029 192 S CA 1.079 59.127 58.200 -0.254 0.000 0.988 192 S CB -0.015 63.057 63.200 -0.212 0.000 0.838 192 S HN 0.217 nan 8.310 nan 0.000 0.462 193 Q N 0.124 119.686 119.800 -0.397 0.000 2.119 193 Q HA 0.013 4.354 4.340 0.001 0.000 0.201 193 Q C 2.040 177.994 176.000 -0.076 0.000 0.972 193 Q CA 0.950 56.603 55.803 -0.250 0.000 0.847 193 Q CB -0.458 28.023 28.738 -0.429 0.000 0.903 193 Q HN 0.531 nan 8.270 nan 0.000 0.433 194 I N 0.795 121.207 120.570 -0.264 0.000 2.716 194 I HA -0.161 4.010 4.170 0.001 0.000 0.259 194 I C 2.235 178.242 176.117 -0.183 0.000 1.172 194 I CA 0.783 61.946 61.300 -0.229 0.000 1.478 194 I CB -0.010 37.704 38.000 -0.476 0.000 1.104 194 I HN 0.085 nan 8.210 nan 0.000 0.439 195 E N 0.887 120.971 120.200 -0.194 0.000 2.051 195 E HA -0.238 4.112 4.350 0.001 0.000 0.192 195 E C 2.020 178.551 176.600 -0.114 0.000 0.991 195 E CA 1.766 58.081 56.400 -0.141 0.000 0.799 195 E CB -0.142 29.479 29.700 -0.133 0.000 0.748 195 E HN 0.515 nan 8.360 nan 0.000 0.449 196 E N -0.574 119.565 120.200 -0.100 0.000 2.107 196 E HA -0.060 4.291 4.350 0.001 0.000 0.191 196 E C 0.194 176.705 176.600 -0.149 0.000 0.982 196 E CA 0.648 56.997 56.400 -0.085 0.000 0.809 196 E CB 0.142 29.824 29.700 -0.030 0.000 0.756 196 E HN 0.037 nan 8.360 nan 0.000 0.459 197 N N -0.671 117.905 118.700 -0.208 0.000 2.558 197 N HA 0.118 4.859 4.740 0.001 0.000 0.285 197 N C -2.517 172.827 175.510 -0.276 0.000 1.112 197 N CA -1.672 51.131 53.050 -0.411 0.000 0.857 197 N CB 1.583 39.424 38.487 -1.077 0.000 1.376 197 N HN -0.243 nan 8.380 nan 0.000 0.526 198 P HA 0.081 nan 4.420 nan 0.000 0.233 198 P C 0.471 177.733 177.300 -0.063 0.000 1.167 198 P CA 0.796 63.839 63.100 -0.094 0.000 0.770 198 P CB 0.610 32.261 31.700 -0.081 0.000 0.837 199 E N -1.238 118.883 120.200 -0.133 0.000 2.208 199 E HA -0.051 4.299 4.350 0.001 0.000 0.193 199 E C 0.244 176.870 176.600 0.043 0.000 0.988 199 E CA 0.098 56.453 56.400 -0.074 0.000 0.828 199 E CB -0.325 29.302 29.700 -0.123 0.000 0.763 199 E HN 0.152 nan 8.360 nan 0.000 0.478 200 F N 1.107 121.067 119.950 0.017 0.000 2.642 200 F HA -0.042 4.485 4.527 0.001 0.000 0.371 200 F C 0.819 176.663 175.800 0.073 0.000 1.120 200 F CA 0.053 58.077 58.000 0.040 0.000 1.331 200 F CB 0.017 39.030 39.000 0.021 0.000 1.044 200 F HN -0.119 nan 8.300 nan 0.000 0.594 201 I N 4.759 125.526 120.570 0.329 0.000 2.392 201 I HA 0.140 4.311 4.170 0.001 0.000 0.295 201 I C 1.242 177.479 176.117 0.200 0.000 0.985 201 I CA -0.500 60.931 61.300 0.219 0.000 1.221 201 I CB 1.381 39.491 38.000 0.182 0.000 1.366 201 I HN 0.548 nan 8.210 nan 0.000 0.467 202 I N 3.926 124.614 120.570 0.196 0.000 2.091 202 I HA -0.357 3.814 4.170 0.001 0.000 0.240 202 I C 1.736 177.954 176.117 0.169 0.000 1.046 202 I CA 1.673 63.088 61.300 0.190 0.000 1.306 202 I CB -0.261 37.811 38.000 0.121 0.000 1.018 202 I HN 0.677 nan 8.210 nan 0.000 0.404 203 D N 0.549 121.035 120.400 0.142 0.000 2.182 203 D HA -0.155 4.486 4.640 0.001 0.000 0.201 203 D C 1.917 178.302 176.300 0.140 0.000 0.986 203 D CA 1.100 55.187 54.000 0.146 0.000 0.847 203 D CB -0.409 40.499 40.800 0.180 0.000 0.942 203 D HN 0.351 nan 8.370 nan 0.000 0.467 204 N N 0.178 118.951 118.700 0.123 0.000 2.216 204 N HA -0.023 4.718 4.740 0.001 0.000 0.183 204 N C 2.052 177.601 175.510 0.065 0.000 1.017 204 N CA 0.275 53.370 53.050 0.074 0.000 0.861 204 N CB -0.151 38.353 38.487 0.028 0.000 0.986 204 N HN 0.280 nan 8.380 nan 0.000 0.428 205 I N 0.937 121.568 120.570 0.101 0.000 2.179 205 I HA -0.214 3.957 4.170 0.001 0.000 0.242 205 I C 1.962 178.309 176.117 0.384 0.000 1.088 205 I CA 0.949 62.376 61.300 0.212 0.000 1.357 205 I CB -0.172 37.977 38.000 0.248 0.000 1.051 205 I HN 0.045 nan 8.210 nan 0.000 0.409 206 I N 1.186 121.951 120.570 0.326 0.000 2.226 206 I HA -0.316 3.855 4.170 0.001 0.000 0.245 206 I C 2.663 178.909 176.117 0.215 0.000 1.100 206 I CA 1.559 63.026 61.300 0.277 0.000 1.374 206 I CB -0.473 37.584 38.000 0.096 0.000 1.057 206 I HN 0.331 nan 8.210 nan 0.000 0.413 207 K N 0.471 120.966 120.400 0.158 0.000 2.103 207 K HA -0.082 4.239 4.320 0.001 0.000 0.204 207 K C 1.872 178.541 176.600 0.116 0.000 1.052 207 K CA 1.626 57.981 56.287 0.114 0.000 0.945 207 K CB -0.670 31.886 32.500 0.093 0.000 0.722 207 K HN 0.141 nan 8.250 nan 0.000 0.443 208 T N 0.879 115.516 114.554 0.139 0.000 2.708 208 T HA -0.200 4.151 4.350 0.001 0.000 0.266 208 T C 1.560 176.319 174.700 0.099 0.000 1.037 208 T CA 1.549 63.721 62.100 0.119 0.000 1.146 208 T CB -0.518 68.438 68.868 0.146 0.000 0.865 208 T HN 0.354 nan 8.240 nan 0.000 0.435 209 Y N 1.585 121.902 120.300 0.027 0.000 2.128 209 Y HA -0.107 4.444 4.550 0.001 0.000 0.284 209 Y C 2.121 178.044 175.900 0.037 0.000 1.154 209 Y CA 1.244 59.300 58.100 -0.074 0.000 1.149 209 Y CB -0.444 38.056 38.460 0.068 0.000 0.976 209 Y HN 0.100 nan 8.280 nan 0.000 0.505 210 L N -0.959 120.398 121.223 0.223 0.000 2.083 210 L HA -0.244 4.097 4.340 0.001 0.000 0.209 210 L C 2.800 179.702 176.870 0.054 0.000 1.083 210 L CA 1.691 56.622 54.840 0.152 0.000 0.752 210 L CB -0.743 41.366 42.059 0.083 0.000 0.899 210 L HN 0.267 nan 8.230 nan 0.000 0.433 211 S N -0.303 115.408 115.700 0.019 0.000 2.383 211 S HA -0.123 4.347 4.470 0.001 0.000 0.227 211 S C 1.788 176.350 174.600 -0.063 0.000 1.026 211 S CA 1.206 59.400 58.200 -0.011 0.000 0.981 211 S CB -0.096 63.107 63.200 0.005 0.000 0.818 211 S HN 0.427 nan 8.310 nan 0.000 0.472 212 N N 0.935 119.563 118.700 -0.121 0.000 2.197 212 N HA 0.050 4.790 4.740 0.001 0.000 0.184 212 N C 1.677 177.021 175.510 -0.276 0.000 1.030 212 N CA 1.127 54.067 53.050 -0.184 0.000 0.851 212 N CB -0.301 38.060 38.487 -0.210 0.000 1.003 212 N HN 0.477 nan 8.380 nan 0.000 0.430 213 E N -0.523 119.419 120.200 -0.430 0.000 2.250 213 E HA 0.022 4.373 4.350 0.001 0.000 0.192 213 E C 0.493 176.654 176.600 -0.733 0.000 0.986 213 E CA 0.581 56.601 56.400 -0.632 0.000 0.849 213 E CB 0.123 29.252 29.700 -0.952 0.000 0.797 213 E HN 0.468 nan 8.360 nan 0.000 0.482 214 Y N -0.183 119.995 120.300 -0.202 0.000 2.588 214 Y HA 0.196 4.747 4.550 0.001 0.000 0.247 214 Y C 0.730 176.569 175.900 -0.101 0.000 1.157 214 Y CA -0.198 57.824 58.100 -0.130 0.000 1.215 214 Y CB 0.879 39.276 38.460 -0.105 0.000 1.245 214 Y HN -0.208 nan 8.280 nan 0.000 0.534 215 S N 1.340 117.027 115.700 -0.023 0.000 3.549 215 S HA -0.195 4.276 4.470 0.001 0.000 0.366 215 S C 0.053 174.654 174.600 0.001 0.000 1.012 215 S CA 0.218 58.402 58.200 -0.026 0.000 1.141 215 S CB -0.990 62.185 63.200 -0.042 0.000 0.910 215 S HN 0.241 nan 8.310 nan 0.000 0.471 216 K N 1.438 121.847 120.400 0.016 0.000 2.202 216 K HA 0.173 4.494 4.320 0.001 0.000 0.264 216 K C 0.015 176.614 176.600 -0.000 0.000 1.010 216 K CA -0.444 55.846 56.287 0.004 0.000 0.940 216 K CB 0.468 32.967 32.500 -0.001 0.000 0.983 216 K HN 0.481 nan 8.250 nan 0.000 0.475 217 D N 2.126 122.524 120.400 -0.004 0.000 2.343 217 D HA 0.026 4.667 4.640 0.001 0.000 0.255 217 D C 1.224 177.530 176.300 0.010 0.000 1.187 217 D CA 0.073 54.074 54.000 0.001 0.000 0.875 217 D CB 0.555 41.355 40.800 -0.001 0.000 1.136 217 D HN 0.351 nan 8.370 nan 0.000 0.469 218 L N 3.064 124.296 121.223 0.016 0.000 2.012 218 L HA -0.159 4.182 4.340 0.001 0.000 0.210 218 L C 2.207 179.097 176.870 0.032 0.000 1.073 218 L CA 1.229 56.085 54.840 0.027 0.000 0.748 218 L CB -0.239 41.838 42.059 0.029 0.000 0.891 218 L HN 0.629 nan 8.230 nan 0.000 0.431 219 E N -0.354 119.861 120.200 0.026 0.000 2.086 219 E HA -0.306 4.045 4.350 0.001 0.000 0.200 219 E C 2.142 178.761 176.600 0.032 0.000 1.012 219 E CA 1.476 57.892 56.400 0.026 0.000 0.812 219 E CB -0.095 29.616 29.700 0.018 0.000 0.743 219 E HN 0.543 nan 8.360 nan 0.000 0.453 220 A N 0.548 123.384 122.820 0.027 0.000 1.969 220 A HA -0.129 4.192 4.320 0.001 0.000 0.218 220 A C 2.134 179.751 177.584 0.056 0.000 1.169 220 A CA 0.883 52.939 52.037 0.032 0.000 0.635 220 A CB -0.453 18.554 19.000 0.012 0.000 0.810 220 A HN 0.160 nan 8.150 nan 0.000 0.445 221 L N -0.292 120.961 121.223 0.050 0.000 2.027 221 L HA -0.183 4.158 4.340 0.001 0.000 0.206 221 L C 2.313 179.252 176.870 0.115 0.000 1.074 221 L CA 1.199 56.085 54.840 0.078 0.000 0.745 221 L CB -0.682 41.410 42.059 0.055 0.000 0.898 221 L HN 0.344 nan 8.230 nan 0.000 0.433 222 N N 0.405 119.154 118.700 0.082 0.000 2.166 222 N HA -0.177 4.564 4.740 0.001 0.000 0.186 222 N C 1.799 177.339 175.510 0.051 0.000 1.019 222 N CA 1.261 54.354 53.050 0.072 0.000 0.856 222 N CB -0.118 38.403 38.487 0.056 0.000 0.993 222 N HN 0.357 nan 8.380 nan 0.000 0.426 223 K N -0.043 120.388 120.400 0.052 0.000 2.026 223 K HA -0.163 4.158 4.320 0.001 0.000 0.208 223 K C 2.009 178.625 176.600 0.025 0.000 1.048 223 K CA 1.014 57.318 56.287 0.029 0.000 0.929 223 K CB -0.315 32.206 32.500 0.035 0.000 0.713 223 K HN 0.152 nan 8.250 nan 0.000 0.439 224 Y N 1.699 121.971 120.300 -0.048 0.000 2.128 224 Y HA -0.259 4.292 4.550 0.001 0.000 0.284 224 Y C 1.862 177.681 175.900 -0.135 0.000 1.154 224 Y CA 1.508 59.567 58.100 -0.068 0.000 1.149 224 Y CB -0.212 38.229 38.460 -0.032 0.000 0.976 224 Y HN -0.021 nan 8.280 nan 0.000 0.505 225 I N -0.099 120.451 120.570 -0.034 0.000 2.163 225 I HA -0.315 3.856 4.170 0.001 0.000 0.243 225 I C 2.416 178.301 176.117 -0.388 0.000 1.085 225 I CA 1.950 63.131 61.300 -0.200 0.000 1.347 225 I CB -0.407 37.633 38.000 0.068 0.000 1.044 225 I HN 0.222 nan 8.210 nan 0.000 0.408 226 E N 1.130 121.208 120.200 -0.204 0.000 2.077 226 E HA -0.233 4.118 4.350 0.001 0.000 0.193 226 E C 1.998 178.437 176.600 -0.268 0.000 0.989 226 E CA 1.500 57.789 56.400 -0.184 0.000 0.800 226 E CB 0.001 29.648 29.700 -0.088 0.000 0.746 226 E HN 0.418 nan 8.360 nan 0.000 0.452 227 E N -0.417 119.609 120.200 -0.291 0.000 2.051 227 E HA -0.144 4.207 4.350 0.001 0.000 0.192 227 E C 2.176 178.516 176.600 -0.433 0.000 0.991 227 E CA 1.330 57.547 56.400 -0.305 0.000 0.799 227 E CB -0.047 29.502 29.700 -0.252 0.000 0.748 227 E HN 0.160 nan 8.360 nan 0.000 0.449 228 S N 1.179 116.466 115.700 -0.687 0.000 2.359 228 S HA -0.176 4.295 4.470 0.001 0.000 0.224 228 S C 1.946 176.100 174.600 -0.744 0.000 1.035 228 S CA 0.844 58.568 58.200 -0.793 0.000 1.018 228 S CB -0.297 62.193 63.200 -1.183 0.000 0.876 228 S HN 0.126 nan 8.310 nan 0.000 0.448 229 L N 2.772 123.482 121.223 -0.856 0.000 2.012 229 L HA -0.098 4.243 4.340 0.001 0.000 0.210 229 L C 1.760 178.459 176.870 -0.285 0.000 1.073 229 L CA 1.771 56.331 54.840 -0.467 0.000 0.748 229 L CB -0.946 40.972 42.059 -0.236 0.000 0.891 229 L HN 0.146 nan 8.230 nan 0.000 0.431 230 N N -0.296 118.256 118.700 -0.247 0.000 2.188 230 N HA -0.200 4.541 4.740 0.001 0.000 0.184 230 N C 1.832 177.239 175.510 -0.171 0.000 1.018 230 N CA 1.205 54.156 53.050 -0.166 0.000 0.858 230 N CB -0.223 38.183 38.487 -0.135 0.000 0.989 230 N HN 0.424 nan 8.380 nan 0.000 0.426 231 K N 0.408 120.681 120.400 -0.213 0.000 2.025 231 K HA -0.052 4.269 4.320 0.001 0.000 0.207 231 K C 1.904 178.394 176.600 -0.184 0.000 1.049 231 K CA 0.765 56.941 56.287 -0.185 0.000 0.933 231 K CB -0.136 32.244 32.500 -0.199 0.000 0.714 231 K HN -0.001 nan 8.250 nan 0.000 0.438 232 I N 1.000 121.424 120.570 -0.242 0.000 2.439 232 I HA -0.192 3.979 4.170 0.001 0.000 0.251 232 I C 1.844 177.820 176.117 -0.235 0.000 1.139 232 I CA 1.509 62.648 61.300 -0.268 0.000 1.438 232 I CB -0.244 37.500 38.000 -0.427 0.000 1.085 232 I HN 0.133 nan 8.210 nan 0.000 0.427 233 T N 0.659 115.079 114.554 -0.224 0.000 2.746 233 T HA -0.133 4.218 4.350 0.001 0.000 0.267 233 T C 1.779 176.440 174.700 -0.065 0.000 1.039 233 T CA 1.432 63.472 62.100 -0.100 0.000 1.142 233 T CB -0.424 68.405 68.868 -0.065 0.000 0.866 233 T HN 0.492 nan 8.240 nan 0.000 0.444 234 A N 1.234 124.004 122.820 -0.083 0.000 2.239 234 A HA 0.055 4.376 4.320 0.001 0.000 0.209 234 A C 1.300 178.847 177.584 -0.061 0.000 1.171 234 A CA 0.673 52.672 52.037 -0.064 0.000 0.768 234 A CB -0.026 18.932 19.000 -0.070 0.000 0.790 234 A HN 0.381 nan 8.150 nan 0.000 0.478 235 N N 0.110 118.767 118.700 -0.072 0.000 2.610 235 N HA 0.118 4.859 4.740 0.001 0.000 0.307 235 N C -0.807 174.669 175.510 -0.057 0.000 1.813 235 N CA -0.081 52.926 53.050 -0.072 0.000 0.901 235 N CB 0.081 38.509 38.487 -0.098 0.000 1.354 235 N HN 0.472 nan 8.380 nan 0.000 0.491 236 N N -0.552 118.129 118.700 -0.031 0.000 2.741 236 N HA -0.162 4.579 4.740 0.001 0.000 0.250 236 N C 0.482 175.998 175.510 0.010 0.000 1.115 236 N CA 0.699 53.742 53.050 -0.011 0.000 0.724 236 N CB -0.971 37.506 38.487 -0.016 0.000 1.090 236 N HN 0.405 nan 8.380 nan 0.000 0.558 237 G N 0.416 109.236 108.800 0.034 0.000 2.321 237 G HA2 0.094 4.055 3.960 0.001 0.000 0.237 237 G HA3 0.094 4.055 3.960 0.001 0.000 0.237 237 G C -0.110 174.972 174.900 0.304 0.000 1.282 237 G CA 0.030 45.239 45.100 0.181 0.000 0.886 237 G HN 0.331 nan 8.290 nan 0.000 0.528 238 N N 1.438 120.324 118.700 0.309 0.000 2.531 238 N HA 0.106 4.847 4.740 0.001 0.000 0.268 238 N C -1.422 174.052 175.510 -0.060 0.000 1.023 238 N CA -0.556 52.552 53.050 0.098 0.000 0.896 238 N CB 1.997 40.397 38.487 -0.145 0.000 1.233 238 N HN 0.494 nan 8.380 nan 0.000 0.512 239 D N 2.547 122.775 120.400 -0.287 0.000 2.339 239 D HA 0.070 4.711 4.640 0.001 0.000 0.256 239 D C 1.729 177.814 176.300 -0.359 0.000 1.214 239 D CA -0.399 53.190 54.000 -0.685 0.000 0.877 239 D CB 0.782 41.282 40.800 -0.501 0.000 1.111 239 D HN 0.553 nan 8.370 nan 0.000 0.478 240 I N 1.791 122.120 120.570 -0.402 0.000 2.567 240 I HA -0.114 4.057 4.170 0.001 0.000 0.257 240 I C 1.501 177.468 176.117 -0.251 0.000 1.184 240 I CA 0.628 61.654 61.300 -0.457 0.000 1.451 240 I CB -0.029 37.630 38.000 -0.568 0.000 1.089 240 I HN 0.085 nan 8.210 nan 0.000 0.441 241 R N 1.401 121.798 120.500 -0.171 0.000 2.323 241 R HA 0.036 4.377 4.340 0.001 0.000 0.198 241 R C 0.399 176.684 176.300 -0.025 0.000 0.988 241 R CA 0.502 56.572 56.100 -0.050 0.000 1.041 241 R CB -1.081 29.197 30.300 -0.036 0.000 0.926 241 R HN 0.519 nan 8.270 nan 0.000 0.476 242 N N -0.074 118.587 118.700 -0.064 0.000 2.275 242 N HA 0.204 4.945 4.740 0.001 0.000 0.236 242 N C -0.986 174.513 175.510 -0.017 0.000 1.154 242 N CA -0.021 53.014 53.050 -0.025 0.000 0.866 242 N CB 0.590 39.063 38.487 -0.023 0.000 1.093 242 N HN -0.054 nan 8.380 nan 0.000 0.515 243 L N 0.872 122.086 121.223 -0.016 0.000 2.319 243 L HA 0.341 4.682 4.340 0.001 0.000 0.281 243 L C 1.277 178.257 176.870 0.183 0.000 1.005 243 L CA -0.574 54.275 54.840 0.015 0.000 0.828 243 L CB 1.780 43.706 42.059 -0.221 0.000 1.227 243 L HN 0.265 nan 8.230 nan 0.000 0.415 244 E N 4.023 124.294 120.200 0.118 0.000 2.001 244 E HA -0.234 4.117 4.350 0.001 0.000 0.195 244 E C 1.059 177.705 176.600 0.078 0.000 1.002 244 E CA 1.480 57.933 56.400 0.089 0.000 0.819 244 E CB -0.033 29.698 29.700 0.051 0.000 0.769 244 E HN 0.697 nan 8.360 nan 0.000 0.454 245 K N 0.331 120.774 120.400 0.071 0.000 2.374 245 K HA 0.108 4.429 4.320 0.001 0.000 0.202 245 K C 1.632 178.217 176.600 -0.026 0.000 1.040 245 K CA 0.044 56.331 56.287 -0.000 0.000 1.085 245 K CB -0.138 32.360 32.500 -0.004 0.000 0.873 245 K HN 0.266 nan 8.250 nan 0.000 0.539 246 F N 2.077 121.979 119.950 -0.080 0.000 2.346 246 F HA 0.030 4.557 4.527 0.001 0.000 0.301 246 F C 0.694 176.416 175.800 -0.130 0.000 1.070 246 F CA 0.362 58.293 58.000 -0.114 0.000 1.407 246 F CB -0.187 38.720 39.000 -0.155 0.000 1.072 246 F HN 0.006 nan 8.300 nan 0.000 0.543 247 A N 2.252 124.529 122.820 -0.905 0.000 2.666 247 A HA 0.105 4.426 4.320 0.001 0.000 0.312 247 A C -0.213 177.079 177.584 -0.486 0.000 1.471 247 A CA -0.365 51.072 52.037 -1.000 0.000 1.134 247 A CB -0.825 17.774 19.000 -0.669 0.000 1.129 247 A HN 0.468 nan 8.150 nan 0.000 0.539 248 D N 2.560 122.703 120.400 -0.428 0.000 2.343 248 D HA -0.007 4.634 4.640 0.001 0.000 0.255 248 D C 0.844 177.006 176.300 -0.230 0.000 1.187 248 D CA 0.051 53.898 54.000 -0.255 0.000 0.875 248 D CB 0.778 41.456 40.800 -0.204 0.000 1.136 248 D HN 0.705 nan 8.370 nan 0.000 0.469 249 E N 2.922 123.021 120.200 -0.169 0.000 2.058 249 E HA -0.201 4.149 4.350 0.001 0.000 0.194 249 E C 0.868 177.400 176.600 -0.114 0.000 0.997 249 E CA 1.217 57.536 56.400 -0.135 0.000 0.801 249 E CB 0.317 29.957 29.700 -0.099 0.000 0.746 249 E HN 0.561 nan 8.360 nan 0.000 0.450 250 D N 0.340 120.677 120.400 -0.106 0.000 2.117 250 D HA -0.157 4.484 4.640 0.001 0.000 0.198 250 D C 2.066 178.296 176.300 -0.116 0.000 0.982 250 D CA 0.604 54.547 54.000 -0.095 0.000 0.828 250 D CB -0.122 40.628 40.800 -0.082 0.000 0.967 250 D HN 0.167 nan 8.370 nan 0.000 0.464 251 L N 0.953 122.093 121.223 -0.138 0.000 2.046 251 L HA -0.146 4.195 4.340 0.001 0.000 0.208 251 L C 2.463 179.261 176.870 -0.121 0.000 1.077 251 L CA 1.073 55.824 54.840 -0.149 0.000 0.747 251 L CB -0.441 41.517 42.059 -0.168 0.000 0.896 251 L HN -0.134 nan 8.230 nan 0.000 0.432 252 V N -0.559 119.270 119.914 -0.143 0.000 2.332 252 V HA -0.336 3.785 4.120 0.001 0.000 0.248 252 V C 2.716 178.819 176.094 0.016 0.000 1.055 252 V CA 2.048 64.302 62.300 -0.076 0.000 1.038 252 V CB -0.706 31.036 31.823 -0.135 0.000 0.651 252 V HN 0.467 nan 8.190 nan 0.000 0.450 253 R N -0.313 120.165 120.500 -0.037 0.000 2.091 253 R HA -0.159 4.181 4.340 0.001 0.000 0.238 253 R C 2.236 178.499 176.300 -0.062 0.000 1.136 253 R CA 1.706 57.788 56.100 -0.031 0.000 0.959 253 R CB -0.260 30.012 30.300 -0.047 0.000 0.856 253 R HN 0.476 nan 8.270 nan 0.000 0.437 254 L N -0.824 120.320 121.223 -0.131 0.000 2.156 254 L HA -0.151 4.190 4.340 0.001 0.000 0.208 254 L C 2.345 179.101 176.870 -0.191 0.000 1.095 254 L CA 0.878 55.552 54.840 -0.276 0.000 0.770 254 L CB -0.628 41.112 42.059 -0.531 0.000 0.914 254 L HN 0.253 nan 8.230 nan 0.000 0.439 255 Y N 1.366 121.560 120.300 -0.176 0.000 2.145 255 Y HA -0.221 4.329 4.550 0.001 0.000 0.286 255 Y C 2.488 178.347 175.900 -0.069 0.000 1.145 255 Y CA 1.619 59.653 58.100 -0.111 0.000 1.148 255 Y CB -0.264 38.149 38.460 -0.077 0.000 0.981 255 Y HN 0.165 nan 8.280 nan 0.000 0.507 256 N N 0.483 119.087 118.700 -0.160 0.000 2.216 256 N HA -0.205 4.536 4.740 0.001 0.000 0.183 256 N C 1.930 177.343 175.510 -0.161 0.000 1.017 256 N CA 1.397 54.335 53.050 -0.187 0.000 0.861 256 N CB -0.471 38.032 38.487 0.026 0.000 0.986 256 N HN 0.657 nan 8.380 nan 0.000 0.428 257 Q N 1.213 120.955 119.800 -0.096 0.000 2.045 257 Q HA -0.181 4.160 4.340 0.001 0.000 0.206 257 Q C 1.321 177.277 176.000 -0.073 0.000 0.991 257 Q CA 1.420 57.192 55.803 -0.052 0.000 0.851 257 Q CB 0.061 28.794 28.738 -0.009 0.000 0.911 257 Q HN 0.158 nan 8.270 nan 0.000 0.418 258 E N 0.503 120.643 120.200 -0.099 0.000 2.077 258 E HA -0.175 4.175 4.350 0.001 0.000 0.193 258 E C 2.081 178.590 176.600 -0.151 0.000 0.989 258 E CA 0.933 57.280 56.400 -0.088 0.000 0.800 258 E CB -0.353 29.307 29.700 -0.066 0.000 0.746 258 E HN 0.381 nan 8.360 nan 0.000 0.452 259 L N 0.321 121.376 121.223 -0.279 0.000 1.973 259 L HA -0.147 4.194 4.340 0.001 0.000 0.208 259 L C 2.214 179.038 176.870 -0.077 0.000 1.073 259 L CA 1.513 56.185 54.840 -0.279 0.000 0.746 259 L CB -0.308 41.415 42.059 -0.560 0.000 0.891 259 L HN -0.073 nan 8.230 nan 0.000 0.433 260 V N -1.299 118.550 119.914 -0.108 0.000 2.825 260 V HA 0.001 4.122 4.120 0.001 0.000 0.246 260 V C 2.203 178.357 176.094 0.101 0.000 1.068 260 V CA 1.219 63.503 62.300 -0.027 0.000 1.088 260 V CB -0.411 31.195 31.823 -0.361 0.000 0.733 260 V HN 0.423 nan 8.190 nan 0.000 0.468 261 E N 0.187 120.337 120.200 -0.083 0.000 2.102 261 E HA -0.024 4.327 4.350 0.001 0.000 0.190 261 E C 2.251 178.534 176.600 -0.527 0.000 0.971 261 E CA 0.570 56.880 56.400 -0.149 0.000 0.821 261 E CB 0.106 29.760 29.700 -0.076 0.000 0.777 261 E HN 0.248 nan 8.360 nan 0.000 0.460 262 R N -0.992 119.257 120.500 -0.419 0.000 2.254 262 R HA 0.041 4.382 4.340 0.001 0.000 0.193 262 R C -0.487 175.598 176.300 -0.358 0.000 0.929 262 R CA 0.069 55.902 56.100 -0.444 0.000 1.038 262 R CB 0.258 30.419 30.300 -0.232 0.000 1.009 262 R HN 0.197 nan 8.270 nan 0.000 0.512 263 W N -0.102 121.132 121.300 -0.110 0.000 4.141 263 W HA -0.246 4.415 4.660 0.001 0.000 0.336 263 W C -0.295 176.113 176.519 -0.185 0.000 1.258 263 W CA 0.020 57.275 57.345 -0.150 0.000 0.747 263 W CB -2.822 26.566 29.460 -0.119 0.000 2.338 263 W HN 0.108 nan 8.180 nan 0.000 1.410 264 N N 1.787 120.464 118.700 -0.038 0.000 2.558 264 N HA 0.245 4.986 4.740 0.001 0.000 0.233 264 N C 0.757 176.215 175.510 -0.086 0.000 1.038 264 N CA -0.193 52.799 53.050 -0.097 0.000 0.934 264 N CB 0.523 38.932 38.487 -0.130 0.000 1.175 264 N HN -0.156 nan 8.380 nan 0.000 0.512 265 L N 2.207 123.370 121.223 -0.101 0.000 2.270 265 L HA 0.125 4.465 4.340 0.001 0.000 0.210 265 L C 2.131 178.939 176.870 -0.103 0.000 1.104 265 L CA 0.779 55.539 54.840 -0.134 0.000 0.804 265 L CB -1.651 40.278 42.059 -0.217 0.000 0.937 265 L HN 0.528 nan 8.230 nan 0.000 0.450 266 A N 0.134 122.909 122.820 -0.076 0.000 1.898 266 A HA -0.084 4.237 4.320 0.001 0.000 0.216 266 A C 2.523 180.108 177.584 0.002 0.000 1.181 266 A CA 1.671 53.692 52.037 -0.027 0.000 0.620 266 A CB -0.503 18.488 19.000 -0.015 0.000 0.819 266 A HN 0.343 nan 8.150 nan 0.000 0.442 267 A N -0.234 122.587 122.820 0.002 0.000 1.930 267 A HA 0.241 4.562 4.320 0.001 0.000 0.217 267 A C 2.486 180.097 177.584 0.044 0.000 1.175 267 A CA 1.845 53.911 52.037 0.049 0.000 0.627 267 A CB -0.958 18.090 19.000 0.080 0.000 0.815 267 A HN 1.002 nan 8.150 nan 0.000 0.443 268 A N -0.653 122.164 122.820 -0.006 0.000 1.902 268 A HA -0.133 4.188 4.320 0.001 0.000 0.217 268 A C 2.493 180.166 177.584 0.148 0.000 1.181 268 A CA 2.219 54.262 52.037 0.010 0.000 0.623 268 A CB -0.960 17.937 19.000 -0.171 0.000 0.818 268 A HN 0.580 nan 8.150 nan 0.000 0.443 269 S N -0.549 115.194 115.700 0.072 0.000 2.402 269 S HA -0.169 4.302 4.470 0.001 0.000 0.229 269 S C 1.664 176.262 174.600 -0.003 0.000 1.021 269 S CA 1.546 59.783 58.200 0.061 0.000 0.974 269 S CB -0.539 62.694 63.200 0.054 0.000 0.800 269 S HN 0.538 nan 8.310 nan 0.000 0.484 270 D N 1.304 121.712 120.400 0.013 0.000 2.092 270 D HA -0.082 4.559 4.640 0.001 0.000 0.193 270 D C 1.829 178.131 176.300 0.004 0.000 0.994 270 D CA 1.418 55.423 54.000 0.008 0.000 0.828 270 D CB -0.408 40.432 40.800 0.066 0.000 0.963 270 D HN 0.470 nan 8.370 nan 0.000 0.450 271 I N 0.167 120.758 120.570 0.035 0.000 2.202 271 I HA -0.221 3.950 4.170 0.001 0.000 0.242 271 I C 2.337 178.442 176.117 -0.020 0.000 1.091 271 I CA 0.423 61.731 61.300 0.014 0.000 1.368 271 I CB -0.135 37.882 38.000 0.028 0.000 1.058 271 I HN -0.004 nan 8.210 nan 0.000 0.410 272 L N 1.627 122.849 121.223 -0.003 0.000 2.042 272 L HA -0.215 4.126 4.340 0.001 0.000 0.210 272 L C 2.785 179.555 176.870 -0.167 0.000 1.076 272 L CA 1.830 56.600 54.840 -0.117 0.000 0.749 272 L CB -0.707 41.270 42.059 -0.137 0.000 0.893 272 L HN 0.257 nan 8.230 nan 0.000 0.432 273 R N -0.706 119.684 120.500 -0.183 0.000 2.092 273 R HA -0.164 4.177 4.340 0.001 0.000 0.231 273 R C 2.184 178.400 176.300 -0.140 0.000 1.119 273 R CA 2.035 57.967 56.100 -0.281 0.000 0.970 273 R CB -1.020 28.812 30.300 -0.781 0.000 0.864 273 R HN 0.400 nan 8.270 nan 0.000 0.440 274 I N 1.129 121.647 120.570 -0.087 0.000 2.617 274 I HA -0.089 4.082 4.170 0.001 0.000 0.256 274 I C 2.260 178.361 176.117 -0.027 0.000 1.167 274 I CA 0.974 62.264 61.300 -0.017 0.000 1.469 274 I CB 0.096 38.087 38.000 -0.015 0.000 1.098 274 I HN 0.300 nan 8.210 nan 0.000 0.436 275 S N 0.021 115.688 115.700 -0.055 0.000 2.368 275 S HA -0.133 4.338 4.470 0.001 0.000 0.224 275 S C 2.048 176.642 174.600 -0.010 0.000 1.029 275 S CA 1.298 59.477 58.200 -0.035 0.000 0.988 275 S CB -0.133 63.050 63.200 -0.027 0.000 0.838 275 S HN 0.352 nan 8.310 nan 0.000 0.462 276 M N 0.975 120.510 119.600 -0.107 0.000 2.175 276 M HA 0.074 4.555 4.480 0.001 0.000 0.264 276 M C 2.141 178.506 176.300 0.107 0.000 1.063 276 M CA 1.024 56.213 55.300 -0.185 0.000 1.119 276 M CB -1.554 30.641 32.600 -0.675 0.000 1.377 276 M HN 0.342 nan 8.290 nan 0.000 0.415 277 L N -0.045 121.284 121.223 0.176 0.000 2.046 277 L HA -0.241 4.100 4.340 0.001 0.000 0.208 277 L C 2.694 179.644 176.870 0.134 0.000 1.077 277 L CA 1.347 56.317 54.840 0.217 0.000 0.747 277 L CB -0.580 41.580 42.059 0.168 0.000 0.896 277 L HN 0.335 nan 8.230 nan 0.000 0.432 278 K N -0.272 120.174 120.400 0.077 0.000 2.057 278 K HA -0.183 4.138 4.320 0.001 0.000 0.206 278 K C 1.968 178.602 176.600 0.057 0.000 1.050 278 K CA 1.223 57.538 56.287 0.046 0.000 0.935 278 K CB 0.141 32.643 32.500 0.004 0.000 0.715 278 K HN 0.209 nan 8.250 nan 0.000 0.439 279 E N 0.575 120.816 120.200 0.068 0.000 2.107 279 E HA -0.139 4.212 4.350 0.001 0.000 0.191 279 E C 1.364 178.021 176.600 0.096 0.000 0.982 279 E CA 1.217 57.661 56.400 0.074 0.000 0.809 279 E CB -0.000 29.753 29.700 0.089 0.000 0.756 279 E HN 0.390 nan 8.360 nan 0.000 0.459 280 D N -1.168 119.319 120.400 0.146 0.000 2.514 280 D HA 0.152 4.793 4.640 0.001 0.000 0.249 280 D C 0.228 176.623 176.300 0.158 0.000 1.036 280 D CA 1.120 55.235 54.000 0.192 0.000 0.911 280 D CB 0.775 41.778 40.800 0.338 0.000 1.145 280 D HN 0.178 nan 8.370 nan 0.000 0.495 281 G N -1.129 107.761 108.800 0.151 0.000 2.722 281 G HA2 0.405 4.366 3.960 0.001 0.000 0.686 281 G HA3 0.405 4.366 3.960 0.001 0.000 0.686 281 G C 0.396 175.278 174.900 -0.029 0.000 1.282 281 G CA -0.362 44.778 45.100 0.067 0.000 0.817 281 G HN 0.985 nan 8.290 nan 0.000 0.605 282 G N -1.345 107.407 108.800 -0.080 0.000 2.347 282 G HA2 0.540 4.501 3.960 0.001 0.000 0.224 282 G HA3 0.540 4.501 3.960 0.001 0.000 0.224 282 G C -1.042 173.793 174.900 -0.108 0.000 1.318 282 G CA 0.542 45.546 45.100 -0.160 0.000 1.016 282 G HN 2.004 nan 8.290 nan 0.000 0.469 283 V N 1.042 120.866 119.914 -0.149 0.000 2.407 283 V HA 0.569 4.690 4.120 0.001 0.000 0.291 283 V C -0.739 175.260 176.094 -0.158 0.000 1.018 283 V CA -0.586 61.668 62.300 -0.078 0.000 0.842 283 V CB 1.191 32.981 31.823 -0.055 0.000 0.996 283 V HN 0.858 nan 8.190 nan 0.000 0.426 284 Y N 6.192 126.425 120.300 -0.113 0.000 2.323 284 Y HA 0.758 5.309 4.550 0.001 0.000 0.331 284 Y C -0.801 174.945 175.900 -0.258 0.000 1.092 284 Y CA -0.626 57.397 58.100 -0.129 0.000 1.150 284 Y CB 1.196 39.676 38.460 0.033 0.000 1.200 284 Y HN 0.550 nan 8.280 nan 0.000 0.472 285 L N 5.942 126.166 121.223 -1.665 0.000 2.438 285 L HA 0.306 4.647 4.340 0.001 0.000 0.270 285 L C -0.942 175.221 176.870 -1.178 0.000 0.972 285 L CA -1.094 52.957 54.840 -1.316 0.000 0.831 285 L CB 1.776 43.010 42.059 -1.376 0.000 1.273 285 L HN 0.641 nan 8.230 nan 0.000 0.405 286 D N 1.026 121.141 120.400 -0.476 0.000 2.472 286 D HA 0.005 4.646 4.640 0.001 0.000 0.237 286 D C 1.200 177.569 176.300 0.115 0.000 1.141 286 D CA 0.072 54.068 54.000 -0.007 0.000 0.875 286 D CB 1.678 42.551 40.800 0.122 0.000 1.192 286 D HN 0.395 nan 8.370 nan 0.000 0.450 287 V N -0.239 119.814 119.914 0.233 0.000 3.241 287 V HA -0.133 3.988 4.120 0.001 0.000 0.269 287 V C 0.783 176.894 176.094 0.028 0.000 1.151 287 V CA 1.336 63.758 62.300 0.202 0.000 1.158 287 V CB -0.609 31.282 31.823 0.113 0.000 0.764 287 V HN 0.455 nan 8.190 nan 0.000 0.508 288 D N -1.493 118.920 120.400 0.020 0.000 2.368 288 D HA 0.182 4.822 4.640 0.001 0.000 0.218 288 D C 0.546 176.982 176.300 0.227 0.000 1.112 288 D CA -0.150 53.778 54.000 -0.121 0.000 0.834 288 D CB -0.095 40.639 40.800 -0.111 0.000 0.953 288 D HN 0.351 nan 8.370 nan 0.000 0.505 289 M N 0.696 120.502 119.600 0.344 0.000 2.367 289 M HA 0.453 4.934 4.480 0.001 0.000 0.339 289 M C -0.220 176.496 176.300 0.692 0.000 1.177 289 M CA -0.542 55.012 55.300 0.423 0.000 1.068 289 M CB 1.910 34.665 32.600 0.258 0.000 1.602 289 M HN -0.042 nan 8.290 nan 0.000 0.457 290 L N 2.652 124.134 121.223 0.431 0.000 2.301 290 L HA 0.574 4.915 4.340 0.001 0.000 0.264 290 L C -2.184 174.409 176.870 -0.462 0.000 1.016 290 L CA -2.047 52.770 54.840 -0.038 0.000 0.821 290 L CB 2.283 44.220 42.059 -0.202 0.000 1.346 290 L HN 0.382 nan 8.230 nan 0.000 0.429 291 P HA 0.023 nan 4.420 nan 0.000 0.268 291 P C -0.177 176.874 177.300 -0.416 0.000 1.208 291 P CA -0.164 62.079 63.100 -1.428 0.000 0.777 291 P CB 0.344 31.061 31.700 -1.639 0.000 0.875 292 G N 1.956 110.665 108.800 -0.152 0.000 2.559 292 G HA2 0.235 4.196 3.960 0.001 0.000 0.235 292 G HA3 0.235 4.196 3.960 0.001 0.000 0.235 292 G C -0.180 174.809 174.900 0.149 0.000 1.266 292 G CA -0.505 44.627 45.100 0.053 0.000 0.847 292 G HN 0.412 nan 8.290 nan 0.000 0.583 293 I N 1.117 121.766 120.570 0.132 0.000 2.396 293 I HA 0.088 4.259 4.170 0.001 0.000 0.292 293 I C 0.486 176.602 176.117 -0.001 0.000 0.999 293 I CA -0.683 60.648 61.300 0.050 0.000 1.310 293 I CB 1.378 39.402 38.000 0.041 0.000 1.404 293 I HN 0.305 nan 8.210 nan 0.000 0.496 294 Q N 6.639 126.395 119.800 -0.073 0.000 2.308 294 Q HA -0.049 4.292 4.340 0.001 0.000 0.313 294 Q C -1.562 174.402 176.000 -0.059 0.000 1.075 294 Q CA -0.689 55.072 55.803 -0.070 0.000 0.995 294 Q CB 0.397 29.064 28.738 -0.119 0.000 1.107 294 Q HN 0.396 nan 8.270 nan 0.000 0.380 295 P HA -0.206 nan 4.420 nan 0.000 0.215 295 P C 0.917 178.218 177.300 0.002 0.000 1.157 295 P CA 1.274 64.386 63.100 0.019 0.000 0.874 295 P CB 0.160 31.876 31.700 0.028 0.000 0.790 296 D N -0.891 119.492 120.400 -0.029 0.000 2.264 296 D HA -0.132 4.509 4.640 0.001 0.000 0.208 296 D C 1.811 178.059 176.300 -0.086 0.000 0.966 296 D CA 0.502 54.478 54.000 -0.039 0.000 0.864 296 D CB -0.169 40.608 40.800 -0.040 0.000 0.933 296 D HN -0.061 nan 8.370 nan 0.000 0.499 297 L N 0.191 121.308 121.223 -0.177 0.000 1.956 297 L HA -0.179 4.162 4.340 0.001 0.000 0.216 297 L C 1.376 178.059 176.870 -0.311 0.000 1.073 297 L CA 1.818 56.437 54.840 -0.370 0.000 0.762 297 L CB -0.789 40.860 42.059 -0.683 0.000 0.889 297 L HN -0.049 nan 8.230 nan 0.000 0.433 298 F N -0.370 119.554 119.950 -0.045 0.000 2.647 298 F HA 0.204 4.732 4.527 0.001 0.000 0.300 298 F C 1.762 177.553 175.800 -0.015 0.000 1.106 298 F CA -0.054 57.904 58.000 -0.070 0.000 1.313 298 F CB -0.768 38.191 39.000 -0.069 0.000 1.007 298 F HN 0.205 nan 8.300 nan 0.000 0.536 299 K N -1.462 119.023 120.400 0.143 0.000 2.515 299 K HA -0.051 4.270 4.320 0.001 0.000 0.196 299 K C 1.779 178.432 176.600 0.087 0.000 1.038 299 K CA 1.290 57.647 56.287 0.116 0.000 0.967 299 K CB -0.175 32.366 32.500 0.068 0.000 0.780 299 K HN 0.068 nan 8.250 nan 0.000 0.483 300 S N 0.307 116.050 115.700 0.071 0.000 2.503 300 S HA 0.246 4.717 4.470 0.001 0.000 0.215 300 S C 0.476 175.091 174.600 0.024 0.000 1.003 300 S CA -0.599 57.621 58.200 0.034 0.000 0.910 300 S CB 0.002 63.210 63.200 0.013 0.000 0.790 300 S HN 0.275 nan 8.310 nan 0.000 0.514 301 I N 3.269 123.863 120.570 0.039 0.000 2.312 301 I HA 0.244 4.415 4.170 0.001 0.000 0.291 301 I C -0.072 176.105 176.117 0.101 0.000 1.031 301 I CA -0.622 60.694 61.300 0.026 0.000 1.293 301 I CB 0.561 38.492 38.000 -0.115 0.000 1.403 301 I HN 0.060 nan 8.210 nan 0.000 0.484 302 N N 6.837 125.540 118.700 0.005 0.000 2.442 302 N HA 0.011 4.752 4.740 0.001 0.000 0.265 302 N C -0.193 175.146 175.510 -0.285 0.000 1.138 302 N CA -0.069 52.929 53.050 -0.088 0.000 0.956 302 N CB 0.768 39.202 38.487 -0.087 0.000 1.067 302 N HN 0.470 nan 8.380 nan 0.000 0.474 303 K N 4.229 124.266 120.400 -0.605 0.000 2.484 303 K HA 0.093 4.414 4.320 0.001 0.000 0.280 303 K C -2.185 174.028 176.600 -0.645 0.000 1.013 303 K CA -1.031 54.488 56.287 -1.279 0.000 1.029 303 K CB 0.219 31.852 32.500 -1.445 0.000 0.902 303 K HN 0.428 nan 8.250 nan 0.000 0.481 304 P HA -0.025 nan 4.420 nan 0.000 0.263 304 P C -0.315 176.846 177.300 -0.232 0.000 1.195 304 P CA -0.109 62.828 63.100 -0.272 0.000 0.762 304 P CB 0.621 32.216 31.700 -0.175 0.000 0.799 305 D N 1.465 121.769 120.400 -0.160 0.000 2.133 305 D HA -0.213 4.428 4.640 0.001 0.000 0.192 305 D C 1.907 178.154 176.300 -0.088 0.000 1.001 305 D CA 1.703 55.633 54.000 -0.117 0.000 0.844 305 D CB -0.778 39.974 40.800 -0.081 0.000 0.944 305 D HN 0.361 nan 8.370 nan 0.000 0.447 306 S N -0.236 115.422 115.700 -0.070 0.000 2.399 306 S HA -0.199 4.272 4.470 0.001 0.000 0.235 306 S C 1.012 175.593 174.600 -0.032 0.000 1.063 306 S CA 0.746 58.921 58.200 -0.043 0.000 1.070 306 S CB -0.289 62.890 63.200 -0.034 0.000 0.904 306 S HN 0.181 nan 8.310 nan 0.000 0.456 307 I N 2.041 122.580 120.570 -0.052 0.000 2.428 307 I HA 0.199 4.370 4.170 0.001 0.000 0.289 307 I C 0.853 176.972 176.117 0.003 0.000 1.019 307 I CA -0.498 60.800 61.300 -0.004 0.000 1.351 307 I CB 1.522 39.538 38.000 0.027 0.000 1.412 307 I HN 0.267 nan 8.210 nan 0.000 0.513 308 T N 0.799 115.385 114.554 0.054 0.000 2.828 308 T HA 0.155 4.505 4.350 0.001 0.000 0.290 308 T C 0.825 175.596 174.700 0.118 0.000 1.019 308 T CA -0.444 61.694 62.100 0.065 0.000 1.031 308 T CB 0.646 69.556 68.868 0.069 0.000 1.001 308 T HN 0.608 nan 8.240 nan 0.000 0.531 309 N N 0.280 119.047 118.700 0.113 0.000 2.149 309 N HA -0.102 4.639 4.740 0.001 0.000 0.188 309 N C 1.908 177.541 175.510 0.206 0.000 1.019 309 N CA 1.538 54.689 53.050 0.168 0.000 0.857 309 N CB -0.348 38.214 38.487 0.126 0.000 0.997 309 N HN 0.654 nan 8.380 nan 0.000 0.426 310 T N -0.118 114.530 114.554 0.155 0.000 2.674 310 T HA -0.104 4.247 4.350 0.001 0.000 0.265 310 T C 2.091 176.887 174.700 0.161 0.000 1.039 310 T CA 1.244 63.430 62.100 0.143 0.000 1.150 310 T CB -0.332 68.603 68.868 0.112 0.000 0.864 310 T HN 0.154 nan 8.240 nan 0.000 0.427 311 S N 0.045 115.846 115.700 0.170 0.000 2.368 311 S HA -0.099 4.372 4.470 0.001 0.000 0.225 311 S C 1.608 176.359 174.600 0.251 0.000 1.030 311 S CA 0.842 59.149 58.200 0.179 0.000 0.999 311 S CB -0.463 62.836 63.200 0.166 0.000 0.844 311 S HN 0.581 nan 8.310 nan 0.000 0.459 312 W N 2.444 123.782 121.300 0.064 0.000 2.333 312 W HA -0.183 4.478 4.660 0.002 0.000 0.316 312 W C 2.001 178.576 176.519 0.093 0.000 1.215 312 W CA 1.322 58.715 57.345 0.080 0.000 1.278 312 W CB -0.096 29.414 29.460 0.083 0.000 1.154 312 W HN 0.289 nan 8.180 nan 0.000 0.486 313 E N 0.078 120.376 120.200 0.162 0.000 2.085 313 E HA -0.299 4.052 4.350 0.001 0.000 0.194 313 E C 1.988 178.602 176.600 0.022 0.000 0.994 313 E CA 1.750 58.188 56.400 0.063 0.000 0.801 313 E CB -0.959 28.818 29.700 0.129 0.000 0.743 313 E HN 0.441 nan 8.360 nan 0.000 0.453 314 M N 0.451 120.088 119.600 0.062 0.000 2.086 314 M HA -0.167 4.314 4.480 0.001 0.000 0.261 314 M C 2.352 178.652 176.300 0.001 0.000 1.067 314 M CA 1.446 56.786 55.300 0.067 0.000 1.116 314 M CB -0.134 32.522 32.600 0.094 0.000 1.348 314 M HN 0.178 nan 8.290 nan 0.000 0.407 315 I N -0.909 119.619 120.570 -0.071 0.000 2.546 315 I HA -0.176 3.995 4.170 0.001 0.000 0.255 315 I C 1.767 177.623 176.117 -0.434 0.000 1.163 315 I CA 1.542 62.730 61.300 -0.186 0.000 1.457 315 I CB -0.502 37.404 38.000 -0.157 0.000 1.092 315 I HN 0.138 nan 8.210 nan 0.000 0.434 316 K N 0.933 121.052 120.400 -0.469 0.000 2.103 316 K HA -0.084 4.237 4.320 0.001 0.000 0.207 316 K C 2.099 178.592 176.600 -0.179 0.000 1.048 316 K CA 1.730 57.765 56.287 -0.419 0.000 0.930 316 K CB -0.388 31.979 32.500 -0.222 0.000 0.716 316 K HN 0.444 nan 8.250 nan 0.000 0.444 317 L N 0.901 122.049 121.223 -0.124 0.000 2.072 317 L HA -0.142 4.198 4.340 0.001 0.000 0.205 317 L C 2.253 178.936 176.870 -0.313 0.000 1.079 317 L CA 1.163 55.916 54.840 -0.144 0.000 0.752 317 L CB -0.329 41.708 42.059 -0.036 0.000 0.906 317 L HN 0.203 nan 8.230 nan 0.000 0.436 318 E N 0.326 120.398 120.200 -0.213 0.000 2.085 318 E HA -0.248 4.103 4.350 0.001 0.000 0.194 318 E C 2.283 178.560 176.600 -0.539 0.000 0.994 318 E CA 1.202 57.464 56.400 -0.230 0.000 0.801 318 E CB -0.176 29.492 29.700 -0.053 0.000 0.743 318 E HN 0.504 nan 8.360 nan 0.000 0.453 319 A N 1.631 124.035 122.820 -0.693 0.000 1.883 319 A HA -0.206 4.115 4.320 0.001 0.000 0.217 319 A C 2.138 179.493 177.584 -0.382 0.000 1.186 319 A CA 1.225 52.748 52.037 -0.857 0.000 0.624 319 A CB -0.494 17.984 19.000 -0.870 0.000 0.822 319 A HN 0.098 nan 8.150 nan 0.000 0.444 320 I N -0.089 120.340 120.570 -0.235 0.000 2.091 320 I HA -0.275 3.896 4.170 0.001 0.000 0.239 320 I C 2.511 178.409 176.117 -0.366 0.000 1.061 320 I CA 1.626 62.794 61.300 -0.220 0.000 1.317 320 I CB -1.363 36.489 38.000 -0.247 0.000 1.031 320 I HN 0.293 nan 8.210 nan 0.000 0.401 321 M N -0.001 119.335 119.600 -0.440 0.000 2.358 321 M HA -0.180 4.300 4.480 0.001 0.000 0.264 321 M C 2.078 178.129 176.300 -0.415 0.000 1.064 321 M CA 1.248 56.283 55.300 -0.440 0.000 1.093 321 M CB -1.279 30.977 32.600 -0.572 0.000 1.401 321 M HN 0.192 nan 8.290 nan 0.000 0.440 322 K N 0.292 120.368 120.400 -0.539 0.000 2.031 322 K HA -0.102 4.218 4.320 0.001 0.000 0.205 322 K C 1.391 177.530 176.600 -0.768 0.000 1.049 322 K CA 1.625 57.464 56.287 -0.747 0.000 0.939 322 K CB -0.114 31.662 32.500 -1.207 0.000 0.717 322 K HN 0.265 nan 8.250 nan 0.000 0.438 323 Y N -0.462 119.645 120.300 -0.322 0.000 2.507 323 Y HA 0.241 4.792 4.550 0.001 0.000 0.263 323 Y C 1.570 177.293 175.900 -0.294 0.000 1.093 323 Y CA 0.110 58.063 58.100 -0.244 0.000 1.285 323 Y CB 0.566 38.920 38.460 -0.176 0.000 1.115 323 Y HN -0.121 nan 8.280 nan 0.000 0.533 324 K N 0.296 120.490 120.400 -0.343 0.000 2.308 324 K HA 0.060 4.381 4.320 0.001 0.000 0.197 324 K C 0.131 176.326 176.600 -0.676 0.000 1.049 324 K CA 0.610 56.501 56.287 -0.661 0.000 0.991 324 K CB 0.052 31.794 32.500 -1.264 0.000 0.836 324 K HN 0.303 nan 8.250 nan 0.000 0.500 325 E N -0.149 119.751 120.200 -0.500 0.000 2.513 325 E HA -0.228 4.123 4.350 0.001 0.000 0.257 325 E C -0.022 176.473 176.600 -0.176 0.000 1.098 325 E CA 0.197 56.425 56.400 -0.287 0.000 0.752 325 E CB -1.775 27.812 29.700 -0.189 0.000 1.324 325 E HN 0.248 nan 8.360 nan 0.000 0.403 326 Y N -0.641 119.597 120.300 -0.104 0.000 2.293 326 Y HA 0.055 4.605 4.550 0.001 0.000 0.291 326 Y C 1.437 177.298 175.900 -0.065 0.000 1.137 326 Y CA 0.882 58.938 58.100 -0.073 0.000 1.202 326 Y CB 0.286 38.714 38.460 -0.054 0.000 0.990 326 Y HN 0.141 nan 8.280 nan 0.000 0.537 327 I N 2.922 123.533 120.570 0.067 0.000 2.420 327 I HA 0.261 4.432 4.170 0.001 0.000 0.282 327 I C -2.424 173.739 176.117 0.076 0.000 1.019 327 I CA -2.299 59.043 61.300 0.070 0.000 1.130 327 I CB 1.676 39.725 38.000 0.082 0.000 1.262 327 I HN -0.208 nan 8.210 nan 0.000 0.454 328 P HA 0.102 nan 4.420 nan 0.000 0.268 328 P C 0.876 178.208 177.300 0.053 0.000 1.204 328 P CA 0.539 63.658 63.100 0.032 0.000 0.768 328 P CB 1.033 32.743 31.700 0.017 0.000 0.842 329 G N 1.688 110.510 108.800 0.036 0.000 2.205 329 G HA2 -0.316 3.645 3.960 0.001 0.000 0.261 329 G HA3 -0.316 3.645 3.960 0.001 0.000 0.261 329 G C 0.022 174.953 174.900 0.053 0.000 0.980 329 G CA -0.108 45.011 45.100 0.031 0.000 0.632 329 G HN 0.578 nan 8.290 nan 0.000 0.533 330 Y N 2.265 122.547 120.300 -0.031 0.000 2.717 330 Y HA 0.378 4.929 4.550 0.001 0.000 0.330 330 Y C 1.462 177.333 175.900 -0.049 0.000 1.217 330 Y CA 1.106 59.188 58.100 -0.030 0.000 1.506 330 Y CB 0.478 38.900 38.460 -0.064 0.000 1.268 330 Y HN 0.231 nan 8.280 nan 0.000 0.561 331 T N 3.135 117.642 114.554 -0.079 0.000 2.939 331 T HA 0.063 4.414 4.350 0.001 0.000 0.319 331 T C 0.768 175.523 174.700 0.091 0.000 1.082 331 T CA 0.604 62.696 62.100 -0.014 0.000 1.133 331 T CB 0.082 68.901 68.868 -0.081 0.000 1.019 331 T HN 0.789 nan 8.240 nan 0.000 0.548 332 S N 2.853 118.580 115.700 0.045 0.000 2.846 332 S HA 0.278 4.749 4.470 0.001 0.000 0.249 332 S C 1.371 176.027 174.600 0.093 0.000 1.028 332 S CA -0.774 57.461 58.200 0.059 0.000 1.043 332 S CB 0.308 63.512 63.200 0.008 0.000 0.990 332 S HN 0.583 nan 8.310 nan 0.000 0.564 333 K N 3.294 123.729 120.400 0.058 0.000 2.001 333 K HA -0.094 4.227 4.320 0.001 0.000 0.214 333 K C 1.326 177.958 176.600 0.052 0.000 1.050 333 K CA 2.144 58.457 56.287 0.043 0.000 0.934 333 K CB -0.861 31.654 32.500 0.024 0.000 0.718 333 K HN 0.615 nan 8.250 nan 0.000 0.443 334 N N 0.061 118.798 118.700 0.062 0.000 2.216 334 N HA -0.108 4.633 4.740 0.001 0.000 0.183 334 N C 1.714 177.252 175.510 0.047 0.000 1.017 334 N CA 0.712 53.794 53.050 0.054 0.000 0.861 334 N CB -0.311 38.213 38.487 0.062 0.000 0.986 334 N HN 0.085 nan 8.380 nan 0.000 0.428 335 F N 2.078 121.980 119.950 -0.081 0.000 2.161 335 F HA -0.169 4.359 4.527 0.002 0.000 0.300 335 F C 1.296 177.053 175.800 -0.072 0.000 1.089 335 F CA 1.381 59.297 58.000 -0.140 0.000 1.282 335 F CB -0.047 38.820 39.000 -0.222 0.000 1.010 335 F HN -0.038 nan 8.300 nan 0.000 0.485 336 D N -0.218 120.191 120.400 0.015 0.000 2.312 336 D HA -0.098 4.543 4.640 0.001 0.000 0.211 336 D C 2.161 178.404 176.300 -0.094 0.000 0.964 336 D CA 0.777 54.755 54.000 -0.037 0.000 0.877 336 D CB -0.142 40.689 40.800 0.052 0.000 0.924 336 D HN 0.320 nan 8.370 nan 0.000 0.515 337 M N -0.044 119.507 119.600 -0.080 0.000 2.492 337 M HA 0.023 4.504 4.480 0.001 0.000 0.262 337 M C 0.425 176.674 176.300 -0.085 0.000 1.090 337 M CA 0.214 55.480 55.300 -0.058 0.000 1.110 337 M CB -0.473 32.114 32.600 -0.020 0.000 1.407 337 M HN -0.065 nan 8.290 nan 0.000 0.470 338 L N 1.217 122.338 121.223 -0.170 0.000 2.482 338 L HA 0.001 4.342 4.340 0.001 0.000 0.273 338 L C 0.268 177.068 176.870 -0.116 0.000 1.228 338 L CA 0.468 55.219 54.840 -0.148 0.000 0.827 338 L CB -0.272 41.618 42.059 -0.283 0.000 1.099 338 L HN 0.085 nan 8.230 nan 0.000 0.494 339 D N 0.508 120.875 120.400 -0.054 0.000 2.423 339 D HA 0.026 4.667 4.640 0.001 0.000 0.238 339 D C 0.954 177.228 176.300 -0.043 0.000 1.142 339 D CA 0.064 54.042 54.000 -0.035 0.000 0.884 339 D CB 0.631 41.425 40.800 -0.010 0.000 1.199 339 D HN 0.459 nan 8.370 nan 0.000 0.438 340 E N 0.994 121.179 120.200 -0.025 0.000 2.110 340 E HA -0.194 4.156 4.350 0.001 0.000 0.193 340 E C 1.573 178.183 176.600 0.016 0.000 0.988 340 E CA 1.005 57.401 56.400 -0.006 0.000 0.804 340 E CB -0.025 29.679 29.700 0.006 0.000 0.745 340 E HN 0.582 nan 8.360 nan 0.000 0.458 341 E N 0.170 120.378 120.200 0.014 0.000 2.085 341 E HA -0.173 4.178 4.350 0.001 0.000 0.194 341 E C 1.786 178.411 176.600 0.041 0.000 0.994 341 E CA 1.477 57.889 56.400 0.021 0.000 0.801 341 E CB -0.039 29.667 29.700 0.011 0.000 0.743 341 E HN 0.111 nan 8.360 nan 0.000 0.453 342 V N 0.809 120.755 119.914 0.052 0.000 2.379 342 V HA -0.231 3.890 4.120 0.001 0.000 0.245 342 V C 2.420 178.637 176.094 0.205 0.000 1.044 342 V CA 2.014 64.387 62.300 0.121 0.000 1.036 342 V CB -0.663 31.252 31.823 0.153 0.000 0.664 342 V HN 0.333 nan 8.190 nan 0.000 0.453 343 Q N -0.101 119.739 119.800 0.067 0.000 2.152 343 Q HA -0.251 4.090 4.340 0.001 0.000 0.206 343 Q C 2.459 178.634 176.000 0.291 0.000 0.985 343 Q CA 1.738 57.590 55.803 0.080 0.000 0.863 343 Q CB -0.240 28.445 28.738 -0.089 0.000 0.904 343 Q HN 0.585 nan 8.270 nan 0.000 0.422 344 R N -0.311 120.277 120.500 0.148 0.000 2.148 344 R HA -0.012 4.328 4.340 0.001 0.000 0.223 344 R C 2.474 178.807 176.300 0.055 0.000 1.088 344 R CA 0.919 57.068 56.100 0.082 0.000 0.985 344 R CB -0.008 30.317 30.300 0.043 0.000 0.880 344 R HN 0.056 nan 8.270 nan 0.000 0.451 345 S N 0.368 116.108 115.700 0.067 0.000 2.382 345 S HA -0.111 4.360 4.470 0.001 0.000 0.228 345 S C 1.434 176.005 174.600 -0.049 0.000 1.027 345 S CA 1.242 59.430 58.200 -0.019 0.000 0.991 345 S CB -0.176 62.977 63.200 -0.078 0.000 0.823 345 S HN 0.173 nan 8.310 nan 0.000 0.469 346 F N 1.625 121.608 119.950 0.055 0.000 2.060 346 F HA -0.061 4.467 4.527 0.001 0.000 0.295 346 F C 2.557 178.328 175.800 -0.048 0.000 1.120 346 F CA 1.442 59.478 58.000 0.060 0.000 1.205 346 F CB -0.619 38.473 39.000 0.154 0.000 0.986 346 F HN 0.207 nan 8.300 nan 0.000 0.470 347 E N -0.309 119.833 120.200 -0.098 0.000 2.070 347 E HA -0.282 4.069 4.350 0.001 0.000 0.197 347 E C 2.435 178.893 176.600 -0.237 0.000 1.004 347 E CA 1.576 57.639 56.400 -0.562 0.000 0.805 347 E CB -0.300 28.964 29.700 -0.727 0.000 0.744 347 E HN 0.280 nan 8.360 nan 0.000 0.451 348 S N -0.434 115.199 115.700 -0.112 0.000 2.359 348 S HA -0.200 4.270 4.470 0.001 0.000 0.224 348 S C 1.998 176.569 174.600 -0.048 0.000 1.035 348 S CA 1.510 59.669 58.200 -0.068 0.000 1.018 348 S CB -0.301 62.874 63.200 -0.041 0.000 0.876 348 S HN 0.444 nan 8.310 nan 0.000 0.448 349 A N 0.513 123.328 122.820 -0.009 0.000 2.015 349 A HA 0.158 4.479 4.320 0.001 0.000 0.219 349 A C 2.056 179.621 177.584 -0.032 0.000 1.163 349 A CA 1.052 53.090 52.037 0.002 0.000 0.646 349 A CB -0.488 18.565 19.000 0.089 0.000 0.806 349 A HN 0.575 nan 8.150 nan 0.000 0.448 350 L N -1.035 120.182 121.223 -0.011 0.000 2.509 350 L HA 0.030 4.371 4.340 0.001 0.000 0.222 350 L C 2.490 179.316 176.870 -0.072 0.000 1.123 350 L CA 0.434 55.245 54.840 -0.048 0.000 0.856 350 L CB -0.004 42.057 42.059 0.002 0.000 0.985 350 L HN 0.264 nan 8.230 nan 0.000 0.456 351 S N -0.262 115.392 115.700 -0.077 0.000 2.383 351 S HA -0.130 4.341 4.470 0.001 0.000 0.227 351 S C 2.084 176.653 174.600 -0.052 0.000 1.026 351 S CA 1.581 59.741 58.200 -0.067 0.000 0.981 351 S CB -0.013 63.146 63.200 -0.068 0.000 0.818 351 S HN 0.579 nan 8.310 nan 0.000 0.472 352 S N 0.373 116.042 115.700 -0.053 0.000 2.562 352 S HA 0.177 4.648 4.470 0.001 0.000 0.221 352 S C 0.399 174.969 174.600 -0.049 0.000 0.975 352 S CA 0.206 58.378 58.200 -0.046 0.000 0.918 352 S CB 0.005 63.177 63.200 -0.046 0.000 0.772 352 S HN 0.107 nan 8.310 nan 0.000 0.531 353 K N 2.157 122.522 120.400 -0.059 0.000 2.263 353 K HA 0.478 4.799 4.320 0.001 0.000 0.272 353 K C 0.172 176.748 176.600 -0.040 0.000 1.033 353 K CA -0.112 56.138 56.287 -0.063 0.000 0.884 353 K CB 1.670 34.111 32.500 -0.098 0.000 1.107 353 K HN 0.202 nan 8.250 nan 0.000 0.460 354 S N 0.917 116.601 115.700 -0.027 0.000 2.444 354 S HA 0.048 4.519 4.470 0.001 0.000 0.223 354 S C 0.276 174.880 174.600 0.007 0.000 1.054 354 S CA 0.191 58.386 58.200 -0.009 0.000 0.947 354 S CB 0.222 63.416 63.200 -0.010 0.000 0.850 354 S HN 0.540 nan 8.310 nan 0.000 0.527 355 D N 1.868 122.263 120.400 -0.008 0.000 2.304 355 D HA 0.165 4.806 4.640 0.001 0.000 0.250 355 D C 0.564 176.852 176.300 -0.019 0.000 1.107 355 D CA -0.117 53.878 54.000 -0.009 0.000 0.885 355 D CB 1.303 42.093 40.800 -0.017 0.000 1.192 355 D HN 0.120 nan 8.370 nan 0.000 0.436 356 K N 0.982 121.364 120.400 -0.031 0.000 2.281 356 K HA -0.150 4.170 4.320 0.001 0.000 0.203 356 K C 1.469 178.025 176.600 -0.074 0.000 1.046 356 K CA 0.925 57.157 56.287 -0.091 0.000 0.938 356 K CB 0.116 32.469 32.500 -0.245 0.000 0.737 356 K HN 0.364 nan 8.250 nan 0.000 0.458 357 S N -0.552 115.120 115.700 -0.047 0.000 2.650 357 S HA 0.029 4.500 4.470 0.001 0.000 0.219 357 S C 0.809 175.382 174.600 -0.046 0.000 0.960 357 S CA 0.169 58.351 58.200 -0.030 0.000 0.925 357 S CB 0.145 63.335 63.200 -0.017 0.000 0.775 357 S HN 0.330 nan 8.310 nan 0.000 0.525 358 E N -0.033 120.125 120.200 -0.071 0.000 2.481 358 E HA 0.328 4.679 4.350 0.001 0.000 0.198 358 E C 0.975 177.478 176.600 -0.163 0.000 1.027 358 E CA 0.091 56.434 56.400 -0.096 0.000 0.900 358 E CB 0.167 29.816 29.700 -0.085 0.000 0.993 358 E HN 0.572 nan 8.360 nan 0.000 0.482 359 I N -0.469 119.981 120.570 -0.199 0.000 3.132 359 I HA 0.051 4.222 4.170 0.001 0.000 0.255 359 I C 0.201 176.083 176.117 -0.391 0.000 1.118 359 I CA 0.155 61.237 61.300 -0.363 0.000 1.463 359 I CB 0.408 38.154 38.000 -0.422 0.000 1.356 359 I HN -0.088 nan 8.210 nan 0.000 0.463 360 F N 1.202 121.052 119.950 -0.165 0.000 2.379 360 F HA 0.389 4.917 4.527 0.001 0.000 0.332 360 F C -0.049 175.653 175.800 -0.164 0.000 1.096 360 F CA -0.886 56.994 58.000 -0.200 0.000 1.105 360 F CB 0.902 39.729 39.000 -0.289 0.000 1.189 360 F HN -0.198 nan 8.300 nan 0.000 0.515 361 L N 5.975 127.248 121.223 0.083 0.000 2.261 361 L HA 0.501 4.841 4.340 0.001 0.000 0.289 361 L C -2.421 174.448 176.870 -0.002 0.000 1.059 361 L CA -2.100 52.755 54.840 0.025 0.000 0.816 361 L CB 0.209 42.289 42.059 0.035 0.000 1.191 361 L HN 0.283 nan 8.230 nan 0.000 0.431 362 P HA 0.017 nan 4.420 nan 0.000 0.266 362 P C 0.819 178.125 177.300 0.009 0.000 1.193 362 P CA 0.117 63.215 63.100 -0.004 0.000 0.770 362 P CB 0.624 32.335 31.700 0.018 0.000 0.836 363 L N 0.444 121.644 121.223 -0.038 0.000 2.109 363 L HA -0.114 4.226 4.340 0.001 0.000 0.207 363 L C 1.053 177.970 176.870 0.077 0.000 1.086 363 L CA 1.101 55.926 54.840 -0.025 0.000 0.760 363 L CB -0.550 41.361 42.059 -0.246 0.000 0.910 363 L HN 0.506 nan 8.230 nan 0.000 0.437 364 D N -0.201 120.286 120.400 0.145 0.000 3.307 364 D HA -0.225 4.416 4.640 0.001 0.000 0.197 364 D C -0.192 176.244 176.300 0.228 0.000 1.363 364 D CA 1.657 55.767 54.000 0.184 0.000 1.100 364 D CB -0.473 40.386 40.800 0.099 0.000 0.616 364 D HN 0.145 nan 8.370 nan 0.000 0.719 365 D N 1.172 121.648 120.400 0.128 0.000 2.317 365 D HA 0.404 5.045 4.640 0.001 0.000 0.252 365 D C 0.081 176.429 176.300 0.080 0.000 1.174 365 D CA -0.038 54.018 54.000 0.094 0.000 0.866 365 D CB 0.114 40.944 40.800 0.049 0.000 1.127 365 D HN 0.301 nan 8.370 nan 0.000 0.467 366 I N -0.863 119.758 120.570 0.085 0.000 2.339 366 I HA 0.394 4.565 4.170 0.001 0.000 0.290 366 I C -0.295 175.823 176.117 0.002 0.000 0.994 366 I CA -0.888 60.428 61.300 0.026 0.000 1.191 366 I CB 1.176 39.171 38.000 -0.009 0.000 1.343 366 I HN -0.269 nan 8.210 nan 0.000 0.458 367 K N 5.872 126.264 120.400 -0.013 0.000 2.172 367 K HA 0.732 5.053 4.320 0.001 0.000 0.276 367 K C -0.720 175.868 176.600 -0.021 0.000 1.013 367 K CA -0.693 55.587 56.287 -0.011 0.000 0.913 367 K CB 2.559 35.053 32.500 -0.009 0.000 1.055 367 K HN 0.604 nan 8.250 nan 0.000 0.461 368 V N 0.188 120.097 119.914 -0.008 0.000 3.120 368 V HA 0.238 4.359 4.120 0.001 0.000 0.303 368 V C -0.536 175.567 176.094 0.015 0.000 1.238 368 V CA -0.950 61.351 62.300 0.001 0.000 1.008 368 V CB 2.380 34.208 31.823 0.009 0.000 1.064 368 V HN 0.845 nan 8.190 nan 0.000 0.434 369 S N 2.924 118.639 115.700 0.026 0.000 2.585 369 S HA 0.482 4.953 4.470 0.001 0.000 0.277 369 S C -1.756 172.877 174.600 0.056 0.000 1.241 369 S CA -1.385 56.835 58.200 0.032 0.000 1.041 369 S CB 1.658 64.871 63.200 0.022 0.000 0.987 369 S HN 0.570 nan 8.310 nan 0.000 0.512 370 P HA -0.057 nan 4.420 nan 0.000 0.220 370 P C 0.869 178.225 177.300 0.093 0.000 1.144 370 P CA 1.100 64.242 63.100 0.070 0.000 0.800 370 P CB 0.018 31.754 31.700 0.059 0.000 0.772 371 L N -1.351 119.913 121.223 0.069 0.000 2.558 371 L HA 0.092 4.432 4.340 0.001 0.000 0.225 371 L C 1.409 178.372 176.870 0.154 0.000 1.128 371 L CA 0.236 55.109 54.840 0.055 0.000 0.868 371 L CB -0.342 41.692 42.059 -0.041 0.000 1.006 371 L HN 0.167 nan 8.230 nan 0.000 0.454 372 E N -0.673 119.639 120.200 0.186 0.000 2.378 372 E HA 0.564 4.914 4.350 0.001 0.000 0.265 372 E C -1.275 175.487 176.600 0.271 0.000 0.932 372 E CA -0.783 55.799 56.400 0.303 0.000 0.795 372 E CB 2.689 32.601 29.700 0.354 0.000 1.296 372 E HN -0.236 nan 8.360 nan 0.000 0.438 373 V N 1.676 121.817 119.914 0.378 0.000 2.483 373 V HA 0.309 4.430 4.120 0.001 0.000 0.297 373 V C -0.295 176.039 176.094 0.399 0.000 1.027 373 V CA -0.931 61.569 62.300 0.333 0.000 0.855 373 V CB 1.573 33.602 31.823 0.344 0.000 0.995 373 V HN 0.579 nan 8.190 nan 0.000 0.424 374 K N 4.119 124.681 120.400 0.270 0.000 2.154 374 K HA 0.690 5.011 4.320 0.001 0.000 0.264 374 K C -0.786 175.993 176.600 0.298 0.000 1.008 374 K CA -0.454 55.989 56.287 0.260 0.000 0.937 374 K CB 2.110 34.675 32.500 0.108 0.000 1.002 374 K HN 0.570 nan 8.250 nan 0.000 0.469 375 I N 0.135 120.908 120.570 0.338 0.000 2.827 375 I HA 0.290 4.460 4.170 0.001 0.000 0.298 375 I C -1.124 175.176 176.117 0.305 0.000 1.235 375 I CA -0.569 60.877 61.300 0.244 0.000 1.021 375 I CB 1.968 40.025 38.000 0.094 0.000 1.259 375 I HN 0.770 nan 8.210 nan 0.000 0.427 376 A N 5.314 128.246 122.820 0.186 0.000 2.346 376 A HA 0.615 4.936 4.320 0.001 0.000 0.252 376 A C -1.276 176.380 177.584 0.119 0.000 1.089 376 A CA 0.258 52.402 52.037 0.178 0.000 0.797 376 A CB 0.175 19.169 19.000 -0.010 0.000 1.047 376 A HN 0.517 nan 8.150 nan 0.000 0.494 377 F N -0.473 119.524 119.950 0.078 0.000 2.520 377 F HA 0.609 5.137 4.527 0.001 0.000 0.322 377 F C 0.441 176.279 175.800 0.063 0.000 1.103 377 F CA -0.023 58.023 58.000 0.077 0.000 0.926 377 F CB 2.287 41.341 39.000 0.089 0.000 1.154 377 F HN 0.705 nan 8.300 nan 0.000 0.453 378 A N 2.778 125.707 122.820 0.181 0.000 2.356 378 A HA 0.632 4.953 4.320 0.001 0.000 0.310 378 A C -0.246 177.429 177.584 0.152 0.000 1.075 378 A CA -0.760 51.367 52.037 0.150 0.000 0.746 378 A CB 0.660 19.715 19.000 0.092 0.000 1.221 378 A HN 0.821 nan 8.150 nan 0.000 0.443 379 N N 2.065 120.854 118.700 0.149 0.000 2.747 379 N HA -0.182 4.559 4.740 0.001 0.000 0.249 379 N C 0.105 175.711 175.510 0.161 0.000 1.107 379 N CA 1.340 54.467 53.050 0.129 0.000 0.707 379 N CB -1.209 37.336 38.487 0.097 0.000 1.054 379 N HN 0.851 nan 8.380 nan 0.000 0.555 380 N N -3.111 115.731 118.700 0.237 0.000 2.778 380 N HA -0.187 4.553 4.740 0.001 0.000 0.249 380 N C -0.878 174.846 175.510 0.357 0.000 1.069 380 N CA 1.485 54.720 53.050 0.309 0.000 0.831 380 N CB -1.223 37.371 38.487 0.179 0.000 1.142 380 N HN 0.462 nan 8.380 nan 0.000 0.573 381 S N -0.035 115.808 115.700 0.237 0.000 2.537 381 S HA 0.601 5.072 4.470 0.001 0.000 0.301 381 S C 0.774 175.213 174.600 -0.268 0.000 1.092 381 S CA -0.687 57.541 58.200 0.046 0.000 1.048 381 S CB 2.929 66.143 63.200 0.024 0.000 1.053 381 S HN 0.267 nan 8.310 nan 0.000 0.501 382 V N 1.587 121.148 119.914 -0.588 0.000 2.999 382 V HA 0.525 4.646 4.120 0.001 0.000 0.307 382 V C -0.057 175.853 176.094 -0.307 0.000 1.084 382 V CA -0.098 61.762 62.300 -0.733 0.000 1.155 382 V CB 0.163 31.698 31.823 -0.480 0.000 0.975 382 V HN 0.840 nan 8.190 nan 0.000 0.490 383 I N 3.446 123.866 120.570 -0.250 0.000 2.610 383 I HA 0.429 4.600 4.170 0.001 0.000 0.289 383 I C 0.317 176.341 176.117 -0.155 0.000 1.163 383 I CA -0.696 60.523 61.300 -0.135 0.000 1.044 383 I CB 1.967 39.934 38.000 -0.056 0.000 1.251 383 I HN 0.915 nan 8.210 nan 0.000 0.424 384 N N 6.731 125.322 118.700 -0.181 0.000 2.416 384 N HA -0.106 4.635 4.740 0.001 0.000 0.215 384 N C 0.682 176.164 175.510 -0.046 0.000 1.208 384 N CA -0.123 52.771 53.050 -0.261 0.000 0.834 384 N CB 0.083 38.306 38.487 -0.441 0.000 1.072 384 N HN 0.832 nan 8.380 nan 0.000 0.472 385 Q N -1.342 118.465 119.800 0.012 0.000 2.451 385 Q HA 0.279 4.620 4.340 0.001 0.000 0.206 385 Q C -0.115 175.928 176.000 0.072 0.000 0.947 385 Q CA 0.319 56.182 55.803 0.100 0.000 0.937 385 Q CB 0.267 29.036 28.738 0.052 0.000 1.025 385 Q HN 0.305 nan 8.270 nan 0.000 0.511 386 A N 1.098 123.933 122.820 0.025 0.000 2.459 386 A HA 0.696 5.017 4.320 0.001 0.000 0.296 386 A C -1.457 176.247 177.584 0.201 0.000 1.039 386 A CA -0.750 51.281 52.037 -0.010 0.000 0.698 386 A CB 1.341 20.069 19.000 -0.454 0.000 1.261 386 A HN 0.238 nan 8.150 nan 0.000 0.405 387 L N 1.981 123.403 121.223 0.332 0.000 2.409 387 L HA 0.701 5.041 4.340 0.001 0.000 0.262 387 L C -1.109 175.924 176.870 0.270 0.000 0.992 387 L CA -0.577 54.435 54.840 0.288 0.000 0.817 387 L CB 2.469 44.643 42.059 0.191 0.000 1.350 387 L HN 0.658 nan 8.230 nan 0.000 0.411 388 I N 1.095 121.772 120.570 0.178 0.000 2.569 388 I HA 0.544 4.715 4.170 0.001 0.000 0.290 388 I C -0.650 175.523 176.117 0.095 0.000 1.088 388 I CA -0.319 61.024 61.300 0.072 0.000 1.047 388 I CB 2.198 40.154 38.000 -0.073 0.000 1.237 388 I HN 0.488 nan 8.210 nan 0.000 0.421 389 S N 6.169 121.915 115.700 0.077 0.000 2.546 389 S HA 0.622 5.092 4.470 0.001 0.000 0.272 389 S C -0.794 173.841 174.600 0.057 0.000 1.140 389 S CA -0.615 57.636 58.200 0.085 0.000 0.920 389 S CB 1.150 64.415 63.200 0.109 0.000 1.083 389 S HN 0.499 nan 8.310 nan 0.000 0.476 390 L N 3.503 124.759 121.223 0.056 0.000 2.483 390 L HA 0.275 4.616 4.340 0.001 0.000 0.275 390 L C 0.899 177.802 176.870 0.054 0.000 1.220 390 L CA -0.207 54.660 54.840 0.045 0.000 0.833 390 L CB 0.258 42.345 42.059 0.045 0.000 1.102 390 L HN 0.683 nan 8.230 nan 0.000 0.490 391 K N 2.371 122.800 120.400 0.050 0.000 2.524 391 K HA -0.111 4.210 4.320 0.001 0.000 0.279 391 K C 0.054 176.684 176.600 0.049 0.000 0.993 391 K CA 0.073 56.393 56.287 0.055 0.000 1.030 391 K CB 0.208 32.739 32.500 0.051 0.000 0.891 391 K HN 0.627 nan 8.250 nan 0.000 0.488 392 D N 1.564 121.991 120.400 0.044 0.000 2.911 392 D HA -0.173 4.468 4.640 0.001 0.000 0.227 392 D C -0.318 176.010 176.300 0.045 0.000 1.164 392 D CA 1.448 55.469 54.000 0.034 0.000 0.782 392 D CB -1.285 39.536 40.800 0.035 0.000 1.094 392 D HN 0.694 nan 8.370 nan 0.000 0.425 393 S N -1.006 114.727 115.700 0.054 0.000 2.569 393 S HA 0.041 4.512 4.470 0.001 0.000 0.274 393 S C 1.189 175.835 174.600 0.076 0.000 1.353 393 S CA -0.290 57.958 58.200 0.080 0.000 1.023 393 S CB 0.943 64.197 63.200 0.090 0.000 0.876 393 S HN 0.261 nan 8.310 nan 0.000 0.540 394 Y N 1.001 121.296 120.300 -0.010 0.000 2.242 394 Y HA -0.099 4.451 4.550 0.001 0.000 0.291 394 Y C 2.614 178.482 175.900 -0.053 0.000 1.137 394 Y CA 1.592 59.668 58.100 -0.040 0.000 1.181 394 Y CB -0.629 37.776 38.460 -0.091 0.000 0.989 394 Y HN 0.852 nan 8.280 nan 0.000 0.527 395 C N -0.233 119.118 119.300 0.084 0.000 2.467 395 C HA -0.069 4.391 4.460 0.001 0.000 0.279 395 C C 3.090 178.035 174.990 -0.075 0.000 1.347 395 C CA 1.293 60.324 59.018 0.021 0.000 1.748 395 C CB -1.596 26.230 27.740 0.144 0.000 1.977 395 C HN 0.795 nan 8.230 nan 0.000 0.501 396 S N 0.552 116.228 115.700 -0.039 0.000 2.382 396 S HA -0.193 4.278 4.470 0.001 0.000 0.228 396 S C 1.414 175.929 174.600 -0.141 0.000 1.027 396 S CA 2.033 60.192 58.200 -0.068 0.000 0.991 396 S CB -0.553 62.640 63.200 -0.011 0.000 0.823 396 S HN 0.607 nan 8.310 nan 0.000 0.469 397 D N 1.827 122.121 120.400 -0.177 0.000 2.117 397 D HA 0.006 4.647 4.640 0.001 0.000 0.197 397 D C 2.065 178.208 176.300 -0.262 0.000 0.987 397 D CA 1.075 54.938 54.000 -0.227 0.000 0.829 397 D CB -0.432 40.194 40.800 -0.289 0.000 0.961 397 D HN 0.387 nan 8.370 nan 0.000 0.460 398 L N 0.523 121.561 121.223 -0.307 0.000 2.012 398 L HA -0.184 4.157 4.340 0.001 0.000 0.210 398 L C 2.593 179.302 176.870 -0.270 0.000 1.073 398 L CA 0.833 55.514 54.840 -0.263 0.000 0.748 398 L CB -0.544 41.383 42.059 -0.220 0.000 0.891 398 L HN -0.033 nan 8.230 nan 0.000 0.431 399 V N -0.041 119.681 119.914 -0.321 0.000 2.295 399 V HA -0.297 3.824 4.120 0.001 0.000 0.246 399 V C 2.450 178.359 176.094 -0.308 0.000 1.049 399 V CA 1.529 63.574 62.300 -0.426 0.000 1.024 399 V CB -0.409 31.065 31.823 -0.583 0.000 0.648 399 V HN 0.288 nan 8.190 nan 0.000 0.447 400 I N 0.826 121.257 120.570 -0.231 0.000 2.208 400 I HA -0.209 3.962 4.170 0.001 0.000 0.245 400 I C 2.319 178.348 176.117 -0.147 0.000 1.097 400 I CA 1.672 62.870 61.300 -0.170 0.000 1.363 400 I CB -1.436 36.477 38.000 -0.145 0.000 1.051 400 I HN 0.402 nan 8.210 nan 0.000 0.413 401 N N 0.731 119.336 118.700 -0.159 0.000 2.223 401 N HA -0.163 4.577 4.740 0.001 0.000 0.185 401 N C 1.826 177.261 175.510 -0.125 0.000 1.016 401 N CA 0.891 53.863 53.050 -0.131 0.000 0.863 401 N CB -0.249 38.157 38.487 -0.135 0.000 0.983 401 N HN 0.425 nan 8.380 nan 0.000 0.429 402 Q N 0.747 120.452 119.800 -0.159 0.000 2.061 402 Q HA -0.053 4.287 4.340 0.001 0.000 0.204 402 Q C 2.310 178.252 176.000 -0.097 0.000 0.984 402 Q CA 0.831 56.539 55.803 -0.158 0.000 0.846 402 Q CB -0.350 28.260 28.738 -0.214 0.000 0.902 402 Q HN 0.459 nan 8.270 nan 0.000 0.421 403 I N 0.892 121.420 120.570 -0.070 0.000 2.091 403 I HA -0.340 3.830 4.170 0.001 0.000 0.239 403 I C 2.418 178.619 176.117 0.139 0.000 1.061 403 I CA 1.465 62.805 61.300 0.067 0.000 1.317 403 I CB -0.315 37.703 38.000 0.031 0.000 1.031 403 I HN 0.189 nan 8.210 nan 0.000 0.401 404 K N 0.517 120.933 120.400 0.027 0.000 2.032 404 K HA -0.187 4.133 4.320 0.001 0.000 0.209 404 K C 1.959 178.581 176.600 0.036 0.000 1.048 404 K CA 1.665 57.966 56.287 0.024 0.000 0.927 404 K CB -0.332 32.146 32.500 -0.036 0.000 0.712 404 K HN 0.299 nan 8.250 nan 0.000 0.441 405 N N 0.968 119.655 118.700 -0.021 0.000 2.104 405 N HA -0.139 4.602 4.740 0.001 0.000 0.190 405 N C 1.790 177.263 175.510 -0.061 0.000 1.024 405 N CA 1.266 54.283 53.050 -0.054 0.000 0.853 405 N CB -0.193 38.232 38.487 -0.103 0.000 1.008 405 N HN 0.191 nan 8.380 nan 0.000 0.424 406 R N -0.396 120.065 120.500 -0.064 0.000 2.073 406 R HA -0.065 4.276 4.340 0.001 0.000 0.234 406 R C 2.038 178.378 176.300 0.066 0.000 1.134 406 R CA 1.135 57.211 56.100 -0.040 0.000 0.952 406 R CB -0.414 29.880 30.300 -0.010 0.000 0.850 406 R HN 0.301 nan 8.270 nan 0.000 0.433 407 Y N 0.981 121.302 120.300 0.036 0.000 2.293 407 Y HA -0.186 4.365 4.550 0.002 0.000 0.291 407 Y C 2.417 178.312 175.900 -0.009 0.000 1.137 407 Y CA 1.355 59.456 58.100 0.002 0.000 1.202 407 Y CB -0.052 38.396 38.460 -0.019 0.000 0.990 407 Y HN -0.008 nan 8.280 nan 0.000 0.537 408 K N 0.540 121.016 120.400 0.127 0.000 2.032 408 K HA -0.211 4.110 4.320 0.001 0.000 0.209 408 K C 1.864 178.497 176.600 0.055 0.000 1.048 408 K CA 1.876 58.202 56.287 0.066 0.000 0.927 408 K CB -0.403 32.115 32.500 0.029 0.000 0.712 408 K HN 0.297 nan 8.250 nan 0.000 0.441 409 I N 0.964 121.574 120.570 0.065 0.000 2.179 409 I HA -0.296 3.875 4.170 0.001 0.000 0.242 409 I C 2.410 178.589 176.117 0.104 0.000 1.088 409 I CA 0.686 62.043 61.300 0.095 0.000 1.357 409 I CB -0.285 37.815 38.000 0.166 0.000 1.051 409 I HN 0.231 nan 8.210 nan 0.000 0.409 410 L N 1.235 122.500 121.223 0.070 0.000 1.970 410 L HA -0.247 4.094 4.340 0.001 0.000 0.212 410 L C 2.217 179.070 176.870 -0.029 0.000 1.071 410 L CA 2.070 56.898 54.840 -0.020 0.000 0.751 410 L CB -0.804 41.083 42.059 -0.285 0.000 0.889 410 L HN 0.198 nan 8.230 nan 0.000 0.432 411 N N -0.047 118.638 118.700 -0.024 0.000 2.106 411 N HA -0.174 4.567 4.740 0.001 0.000 0.188 411 N C 1.540 177.053 175.510 0.005 0.000 1.029 411 N CA 1.532 54.569 53.050 -0.021 0.000 0.848 411 N CB -0.619 37.882 38.487 0.024 0.000 1.007 411 N HN 0.418 nan 8.380 nan 0.000 0.423 412 D N 0.730 121.147 120.400 0.030 0.000 2.158 412 D HA -0.104 4.537 4.640 0.001 0.000 0.197 412 D C 1.297 177.629 176.300 0.053 0.000 0.995 412 D CA 0.928 54.948 54.000 0.034 0.000 0.846 412 D CB -0.221 40.598 40.800 0.033 0.000 0.941 412 D HN 0.359 nan 8.370 nan 0.000 0.456 413 N N -0.370 118.390 118.700 0.099 0.000 2.409 413 N HA -0.018 4.723 4.740 0.001 0.000 0.174 413 N C 1.735 177.372 175.510 0.212 0.000 1.037 413 N CA 0.016 53.168 53.050 0.171 0.000 0.898 413 N CB 0.397 39.013 38.487 0.216 0.000 1.010 413 N HN 0.140 nan 8.380 nan 0.000 0.445 414 L N 1.729 122.983 121.223 0.051 0.000 2.162 414 L HA 0.112 4.452 4.340 0.001 0.000 0.205 414 L C 1.443 178.228 176.870 -0.140 0.000 1.086 414 L CA 1.402 56.077 54.840 -0.275 0.000 0.778 414 L CB -0.572 41.115 42.059 -0.620 0.000 0.928 414 L HN 0.026 nan 8.230 nan 0.000 0.446 415 N N 0.501 119.162 118.700 -0.065 0.000 2.058 415 N HA -0.137 4.604 4.740 0.001 0.000 0.191 415 N C -1.117 174.388 175.510 -0.009 0.000 1.037 415 N CA 1.627 54.659 53.050 -0.031 0.000 0.848 415 N CB -1.138 37.339 38.487 -0.016 0.000 1.021 415 N HN 0.362 nan 8.380 nan 0.000 0.422 416 P HA -0.065 nan 4.420 nan 0.000 0.216 416 P C 0.931 178.244 177.300 0.021 0.000 1.150 416 P CA 1.389 64.499 63.100 0.016 0.000 0.837 416 P CB 0.053 31.767 31.700 0.023 0.000 0.786 417 S N 0.047 115.764 115.700 0.028 0.000 2.368 417 S HA -0.097 4.374 4.470 0.001 0.000 0.225 417 S C 2.054 176.662 174.600 0.014 0.000 1.030 417 S CA 1.018 59.236 58.200 0.030 0.000 0.999 417 S CB -0.977 62.260 63.200 0.062 0.000 0.844 417 S HN 0.146 nan 8.310 nan 0.000 0.459 418 I N 1.722 122.298 120.570 0.011 0.000 2.315 418 I HA -0.175 3.996 4.170 0.001 0.000 0.248 418 I C 1.895 178.049 176.117 0.062 0.000 1.117 418 I CA 1.002 62.340 61.300 0.064 0.000 1.404 418 I CB -0.409 37.627 38.000 0.061 0.000 1.071 418 I HN 0.237 nan 8.210 nan 0.000 0.419 419 N N 0.616 119.335 118.700 0.032 0.000 2.381 419 N HA -0.109 4.632 4.740 0.001 0.000 0.182 419 N C 0.129 175.655 175.510 0.027 0.000 1.025 419 N CA 0.648 53.713 53.050 0.025 0.000 0.888 419 N CB 0.115 38.610 38.487 0.012 0.000 0.965 419 N HN 0.383 nan 8.380 nan 0.000 0.438 420 E N 0.118 120.333 120.200 0.026 0.000 2.070 420 E HA 0.495 4.846 4.350 0.001 0.000 0.261 420 E C -0.472 176.143 176.600 0.026 0.000 0.926 420 E CA -0.756 55.658 56.400 0.022 0.000 0.760 420 E CB 1.020 30.728 29.700 0.012 0.000 1.133 420 E HN 0.068 nan 8.360 nan 0.000 0.420 421 G N 1.037 109.864 108.800 0.044 0.000 2.753 421 G HA2 0.327 4.287 3.960 0.001 0.000 0.297 421 G HA3 0.327 4.287 3.960 0.001 0.000 0.297 421 G C 0.403 175.344 174.900 0.067 0.000 1.430 421 G CA -0.282 44.852 45.100 0.056 0.000 1.040 421 G HN 0.279 nan 8.290 nan 0.000 0.530 422 T N -2.072 112.515 114.554 0.054 0.000 3.033 422 T HA 0.245 4.596 4.350 0.001 0.000 0.248 422 T C 0.598 175.362 174.700 0.107 0.000 1.040 422 T CA 1.537 63.675 62.100 0.065 0.000 1.133 422 T CB -0.012 68.880 68.868 0.039 0.000 0.895 422 T HN 0.732 nan 8.240 nan 0.000 0.465 423 D N -1.155 119.308 120.400 0.105 0.000 2.946 423 D HA 0.115 4.756 4.640 0.001 0.000 0.337 423 D C 0.507 176.813 176.300 0.011 0.000 1.332 423 D CA -0.771 53.326 54.000 0.162 0.000 0.935 423 D CB 0.324 41.198 40.800 0.123 0.000 1.440 423 D HN -0.061 nan 8.370 nan 0.000 0.540 424 F N 1.455 121.279 119.950 -0.210 0.000 2.095 424 F HA -0.151 4.377 4.527 0.001 0.000 0.298 424 F C 1.901 177.495 175.800 -0.343 0.000 1.104 424 F CA 2.012 59.672 58.000 -0.566 0.000 1.232 424 F CB -0.481 38.327 39.000 -0.320 0.000 0.987 424 F HN 0.213 nan 8.300 nan 0.000 0.475 425 N N -0.155 118.395 118.700 -0.249 0.000 2.142 425 N HA -0.151 4.590 4.740 0.001 0.000 0.186 425 N C 1.953 177.305 175.510 -0.263 0.000 1.023 425 N CA 2.275 55.155 53.050 -0.282 0.000 0.852 425 N CB -0.912 37.528 38.487 -0.078 0.000 0.998 425 N HN 0.494 nan 8.380 nan 0.000 0.424 426 T N -1.504 112.946 114.554 -0.174 0.000 2.777 426 T HA -0.058 4.293 4.350 0.001 0.000 0.266 426 T C 1.977 176.587 174.700 -0.150 0.000 1.040 426 T CA 1.569 63.595 62.100 -0.123 0.000 1.141 426 T CB -0.836 67.996 68.868 -0.060 0.000 0.868 426 T HN 0.069 nan 8.240 nan 0.000 0.444 427 T N 2.288 116.710 114.554 -0.221 0.000 2.777 427 T HA 0.041 4.392 4.350 0.001 0.000 0.266 427 T C 2.060 176.627 174.700 -0.221 0.000 1.040 427 T CA 1.137 63.113 62.100 -0.208 0.000 1.141 427 T CB -0.326 68.372 68.868 -0.283 0.000 0.868 427 T HN 0.145 nan 8.240 nan 0.000 0.444 428 M N 1.254 120.599 119.600 -0.425 0.000 2.080 428 M HA -0.050 4.431 4.480 0.001 0.000 0.260 428 M C 2.109 178.322 176.300 -0.145 0.000 1.068 428 M CA 1.692 56.784 55.300 -0.347 0.000 1.109 428 M CB -0.842 31.349 32.600 -0.682 0.000 1.342 428 M HN 0.229 nan 8.290 nan 0.000 0.405 429 K N -0.181 120.123 120.400 -0.160 0.000 2.103 429 K HA -0.005 4.315 4.320 0.001 0.000 0.204 429 K C 1.960 178.522 176.600 -0.062 0.000 1.052 429 K CA 0.935 57.160 56.287 -0.103 0.000 0.945 429 K CB -0.113 32.329 32.500 -0.096 0.000 0.722 429 K HN 0.233 nan 8.250 nan 0.000 0.443 430 I N 0.265 120.811 120.570 -0.040 0.000 2.226 430 I HA -0.266 3.905 4.170 0.001 0.000 0.245 430 I C 2.131 178.277 176.117 0.049 0.000 1.100 430 I CA 0.997 62.295 61.300 -0.002 0.000 1.374 430 I CB -0.126 37.876 38.000 0.003 0.000 1.057 430 I HN 0.091 nan 8.210 nan 0.000 0.413 431 F N 0.780 120.669 119.950 -0.103 0.000 2.146 431 F HA -0.213 4.315 4.527 0.001 0.000 0.298 431 F C 2.753 178.501 175.800 -0.087 0.000 1.096 431 F CA 1.697 59.642 58.000 -0.091 0.000 1.275 431 F CB -0.625 38.314 39.000 -0.102 0.000 1.008 431 F HN -0.033 nan 8.300 nan 0.000 0.480 432 S N -0.046 115.520 115.700 -0.224 0.000 2.355 432 S HA -0.183 4.288 4.470 0.001 0.000 0.222 432 S C 1.834 176.297 174.600 -0.228 0.000 1.031 432 S CA 1.696 59.709 58.200 -0.312 0.000 0.993 432 S CB -0.606 62.483 63.200 -0.184 0.000 0.859 432 S HN 0.464 nan 8.310 nan 0.000 0.453 433 D N 1.154 121.471 120.400 -0.138 0.000 2.149 433 D HA -0.073 4.568 4.640 0.001 0.000 0.198 433 D C 2.048 178.286 176.300 -0.102 0.000 0.990 433 D CA 1.015 54.955 54.000 -0.100 0.000 0.839 433 D CB -0.259 40.503 40.800 -0.063 0.000 0.948 433 D HN 0.478 nan 8.370 nan 0.000 0.460 434 K N 0.232 120.570 120.400 -0.102 0.000 2.057 434 K HA -0.049 4.272 4.320 0.001 0.000 0.207 434 K C 2.332 178.859 176.600 -0.122 0.000 1.049 434 K CA 0.570 56.810 56.287 -0.078 0.000 0.931 434 K CB -0.127 32.364 32.500 -0.015 0.000 0.714 434 K HN 0.174 nan 8.250 nan 0.000 0.440 435 L N 0.334 121.415 121.223 -0.238 0.000 2.056 435 L HA -0.156 4.185 4.340 0.001 0.000 0.207 435 L C 2.624 179.403 176.870 -0.153 0.000 1.078 435 L CA 0.999 55.694 54.840 -0.242 0.000 0.749 435 L CB -0.687 41.116 42.059 -0.426 0.000 0.901 435 L HN 0.193 nan 8.230 nan 0.000 0.433 436 A N -0.046 122.685 122.820 -0.148 0.000 1.883 436 A HA -0.229 4.092 4.320 0.001 0.000 0.217 436 A C 2.488 180.032 177.584 -0.067 0.000 1.186 436 A CA 2.230 54.208 52.037 -0.098 0.000 0.624 436 A CB -0.753 18.192 19.000 -0.092 0.000 0.822 436 A HN 0.401 nan 8.150 nan 0.000 0.444 437 S N -0.521 115.141 115.700 -0.064 0.000 2.420 437 S HA -0.105 4.366 4.470 0.001 0.000 0.237 437 S C 1.258 175.838 174.600 -0.033 0.000 1.023 437 S CA 1.613 59.787 58.200 -0.043 0.000 0.991 437 S CB -0.380 62.797 63.200 -0.039 0.000 0.792 437 S HN 0.599 nan 8.310 nan 0.000 0.488 438 I N 0.921 121.470 120.570 -0.036 0.000 4.050 438 I HA 0.129 4.299 4.170 0.001 0.000 0.327 438 I C 0.283 176.390 176.117 -0.017 0.000 1.473 438 I CA -0.268 61.019 61.300 -0.022 0.000 1.124 438 I CB 0.220 38.211 38.000 -0.014 0.000 1.129 438 I HN 0.098 nan 8.210 nan 0.000 0.428 439 S N 1.948 117.633 115.700 -0.025 0.000 2.592 439 S HA 0.544 5.015 4.470 0.001 0.000 0.271 439 S C -0.182 174.412 174.600 -0.009 0.000 1.326 439 S CA -0.469 57.722 58.200 -0.015 0.000 1.024 439 S CB 1.132 64.314 63.200 -0.029 0.000 0.921 439 S HN 0.538 nan 8.310 nan 0.000 0.527 440 N N -0.777 117.923 118.700 -0.000 0.000 3.277 440 N HA 0.233 4.974 4.740 0.001 0.000 0.278 440 N C 0.176 175.691 175.510 0.007 0.000 1.544 440 N CA -0.861 52.190 53.050 0.000 0.000 0.869 440 N CB 0.407 38.893 38.487 -0.002 0.000 1.584 440 N HN 0.617 nan 8.380 nan 0.000 0.564 441 E N -0.822 119.382 120.200 0.007 0.000 2.153 441 E HA -0.216 4.135 4.350 0.001 0.000 0.194 441 E C 0.100 176.711 176.600 0.019 0.000 0.988 441 E CA 1.508 57.915 56.400 0.012 0.000 0.811 441 E CB -0.110 29.597 29.700 0.011 0.000 0.746 441 E HN 0.515 nan 8.360 nan 0.000 0.466 442 D N 0.336 120.745 120.400 0.014 0.000 2.178 442 D HA -0.131 4.510 4.640 0.001 0.000 0.202 442 D C 1.352 177.662 176.300 0.016 0.000 0.974 442 D CA 1.258 55.266 54.000 0.013 0.000 0.841 442 D CB -0.174 40.627 40.800 0.001 0.000 0.953 442 D HN 0.387 nan 8.370 nan 0.000 0.478 443 N N -0.699 118.017 118.700 0.027 0.000 2.171 443 N HA 0.006 4.747 4.740 0.001 0.000 0.212 443 N C 1.351 176.928 175.510 0.111 0.000 1.184 443 N CA -0.050 53.040 53.050 0.067 0.000 0.888 443 N CB -0.135 38.387 38.487 0.059 0.000 1.038 443 N HN -0.126 nan 8.380 nan 0.000 0.517 444 M N 0.638 120.273 119.600 0.058 0.000 2.073 444 M HA -0.008 4.473 4.480 0.001 0.000 0.258 444 M C 1.662 177.984 176.300 0.038 0.000 1.070 444 M CA 1.656 56.976 55.300 0.034 0.000 1.103 444 M CB -0.396 32.213 32.600 0.014 0.000 1.321 444 M HN 0.139 nan 8.290 nan 0.000 0.405 445 M N -1.145 118.488 119.600 0.056 0.000 2.108 445 M HA -0.177 4.303 4.480 0.001 0.000 0.261 445 M C 2.283 178.621 176.300 0.064 0.000 1.066 445 M CA 1.632 56.962 55.300 0.050 0.000 1.107 445 M CB -1.552 31.082 32.600 0.057 0.000 1.356 445 M HN 0.438 nan 8.290 nan 0.000 0.406 446 F N 1.283 121.214 119.950 -0.033 0.000 2.102 446 F HA -0.257 4.271 4.527 0.001 0.000 0.298 446 F C 2.115 177.883 175.800 -0.053 0.000 1.105 446 F CA 1.565 59.540 58.000 -0.042 0.000 1.239 446 F CB -0.202 38.770 39.000 -0.048 0.000 0.991 446 F HN 0.020 nan 8.300 nan 0.000 0.474 447 M N 0.170 119.728 119.600 -0.070 0.000 2.159 447 M HA -0.164 4.317 4.480 0.001 0.000 0.263 447 M C 2.388 178.540 176.300 -0.247 0.000 1.063 447 M CA 1.513 56.688 55.300 -0.208 0.000 1.110 447 M CB -1.369 31.182 32.600 -0.082 0.000 1.374 447 M HN 0.274 nan 8.290 nan 0.000 0.411 448 I N 0.135 120.615 120.570 -0.150 0.000 2.179 448 I HA -0.309 3.862 4.170 0.001 0.000 0.242 448 I C 2.253 178.292 176.117 -0.131 0.000 1.088 448 I CA 1.363 62.590 61.300 -0.121 0.000 1.357 448 I CB -0.300 37.661 38.000 -0.064 0.000 1.051 448 I HN 0.284 nan 8.210 nan 0.000 0.409 449 K N 0.692 121.003 120.400 -0.148 0.000 2.211 449 K HA -0.103 4.218 4.320 0.001 0.000 0.203 449 K C 1.792 178.287 176.600 -0.175 0.000 1.050 449 K CA 1.346 57.553 56.287 -0.134 0.000 0.945 449 K CB -0.183 32.258 32.500 -0.097 0.000 0.732 449 K HN 0.496 nan 8.250 nan 0.000 0.451 450 I N -2.877 117.499 120.570 -0.323 0.000 3.793 450 I HA 0.059 4.230 4.170 0.001 0.000 0.315 450 I C 1.473 177.589 176.117 -0.001 0.000 1.275 450 I CA 0.339 61.500 61.300 -0.232 0.000 1.214 450 I CB 0.010 37.703 38.000 -0.511 0.000 1.018 450 I HN -0.177 nan 8.210 nan 0.000 0.439 451 T N 1.906 116.410 114.554 -0.084 0.000 2.699 451 T HA -0.118 4.233 4.350 0.001 0.000 0.268 451 T C 1.377 176.201 174.700 0.208 0.000 1.036 451 T CA 1.849 63.917 62.100 -0.052 0.000 1.147 451 T CB -0.371 68.412 68.868 -0.142 0.000 0.862 451 T HN 0.446 nan 8.240 nan 0.000 0.446 452 N N 0.359 119.151 118.700 0.153 0.000 2.295 452 N HA 0.117 4.858 4.740 0.001 0.000 0.221 452 N C 0.795 176.433 175.510 0.213 0.000 1.129 452 N CA -0.119 53.040 53.050 0.182 0.000 0.836 452 N CB -0.132 38.424 38.487 0.114 0.000 1.040 452 N HN 0.454 nan 8.380 nan 0.000 0.494 453 Y N 1.748 122.110 120.300 0.104 0.000 2.133 453 Y HA -0.266 4.284 4.550 0.001 0.000 0.279 453 Y C 1.809 177.751 175.900 0.071 0.000 1.209 453 Y CA 1.732 59.858 58.100 0.044 0.000 1.152 453 Y CB -0.227 38.229 38.460 -0.006 0.000 0.961 453 Y HN 0.101 nan 8.280 nan 0.000 0.512 454 L N -0.161 121.181 121.223 0.198 0.000 2.265 454 L HA -0.214 4.127 4.340 0.001 0.000 0.215 454 L C 2.214 179.236 176.870 0.253 0.000 1.117 454 L CA 1.410 56.375 54.840 0.209 0.000 0.782 454 L CB -0.458 41.803 42.059 0.337 0.000 0.914 454 L HN 0.204 nan 8.230 nan 0.000 0.441 455 K N -0.358 120.177 120.400 0.224 0.000 2.314 455 K HA 0.077 4.398 4.320 0.001 0.000 0.198 455 K C 0.549 177.232 176.600 0.140 0.000 1.045 455 K CA -0.063 56.359 56.287 0.224 0.000 0.988 455 K CB 0.319 32.930 32.500 0.185 0.000 0.783 455 K HN 0.009 nan 8.250 nan 0.000 0.484 456 V N 1.929 121.824 119.914 -0.031 0.000 2.621 456 V HA -0.124 3.997 4.120 0.001 0.000 0.300 456 V C 1.373 177.226 176.094 -0.402 0.000 1.031 456 V CA 1.608 63.798 62.300 -0.182 0.000 1.210 456 V CB -0.382 31.276 31.823 -0.276 0.000 0.864 456 V HN 0.784 nan 8.190 nan 0.000 0.477 457 G N 4.332 112.931 108.800 -0.334 0.000 2.195 457 G HA2 -0.298 3.663 3.960 0.001 0.000 0.246 457 G HA3 -0.298 3.663 3.960 0.001 0.000 0.246 457 G C 0.226 174.833 174.900 -0.488 0.000 0.984 457 G CA 0.498 45.313 45.100 -0.474 0.000 0.633 457 G HN 0.673 nan 8.290 nan 0.000 0.525 458 F N 0.918 120.886 119.950 0.030 0.000 2.752 458 F HA 0.740 5.268 4.527 0.001 0.000 0.310 458 F C 1.274 177.145 175.800 0.118 0.000 1.097 458 F CA 0.094 58.128 58.000 0.056 0.000 1.238 458 F CB 0.565 39.558 39.000 -0.012 0.000 1.061 458 F HN 0.511 nan 8.300 nan 0.000 0.591 459 A N 0.466 123.412 122.820 0.209 0.000 2.454 459 A HA 0.807 5.127 4.320 0.001 0.000 0.302 459 A C -2.709 174.897 177.584 0.037 0.000 1.079 459 A CA -1.546 50.569 52.037 0.129 0.000 0.731 459 A CB 0.939 19.991 19.000 0.086 0.000 1.299 459 A HN -0.133 nan 8.150 nan 0.000 0.413 460 P HA 0.535 nan 4.420 nan 0.000 0.280 460 P C -0.787 176.502 177.300 -0.017 0.000 1.272 460 P CA 0.104 63.192 63.100 -0.019 0.000 0.819 460 P CB 0.529 32.211 31.700 -0.030 0.000 1.122 461 D N -2.680 117.718 120.400 -0.004 0.000 3.028 461 D HA -0.104 4.537 4.640 0.001 0.000 0.207 461 D C -0.478 175.825 176.300 0.005 0.000 1.100 461 D CA 0.655 54.657 54.000 0.003 0.000 0.995 461 D CB -1.768 39.035 40.800 0.004 0.000 1.108 461 D HN 0.087 nan 8.370 nan 0.000 0.421 462 V N 1.462 121.379 119.914 0.004 0.000 2.432 462 V HA 0.227 4.348 4.120 0.001 0.000 0.271 462 V C 1.368 177.462 176.094 0.001 0.000 1.046 462 V CA 0.061 62.365 62.300 0.007 0.000 0.945 462 V CB 1.625 33.453 31.823 0.008 0.000 0.992 462 V HN -0.027 nan 8.190 nan 0.000 0.471 463 R N 2.414 122.917 120.500 0.005 0.000 2.586 463 R HA 0.236 4.577 4.340 0.001 0.000 0.336 463 R C 1.562 177.864 176.300 0.004 0.000 1.060 463 R CA -0.108 55.994 56.100 0.005 0.000 1.079 463 R CB 0.285 30.589 30.300 0.006 0.000 1.317 463 R HN 0.683 nan 8.270 nan 0.000 0.568 464 S N 0.159 115.866 115.700 0.011 0.000 2.368 464 S HA -0.112 4.359 4.470 0.001 0.000 0.225 464 S C 1.640 176.262 174.600 0.037 0.000 1.030 464 S CA 1.830 60.045 58.200 0.026 0.000 0.999 464 S CB 0.018 63.287 63.200 0.116 0.000 0.844 464 S HN 0.313 nan 8.310 nan 0.000 0.459 465 T N 2.760 117.336 114.554 0.037 0.000 2.746 465 T HA 0.037 4.388 4.350 0.001 0.000 0.267 465 T C 1.736 176.473 174.700 0.061 0.000 1.039 465 T CA 1.055 63.188 62.100 0.055 0.000 1.142 465 T CB -0.473 68.413 68.868 0.030 0.000 0.866 465 T HN 0.320 nan 8.240 nan 0.000 0.444 466 I N 1.714 122.311 120.570 0.046 0.000 2.315 466 I HA -0.184 3.987 4.170 0.001 0.000 0.251 466 I C 1.931 178.086 176.117 0.064 0.000 1.125 466 I CA 1.076 62.408 61.300 0.052 0.000 1.392 466 I CB -0.282 37.741 38.000 0.038 0.000 1.065 466 I HN 0.257 nan 8.210 nan 0.000 0.424 467 N N -0.293 118.444 118.700 0.061 0.000 2.236 467 N HA 0.182 4.923 4.740 0.001 0.000 0.196 467 N C 1.451 177.046 175.510 0.142 0.000 1.114 467 N CA 0.424 53.535 53.050 0.103 0.000 0.859 467 N CB 1.105 39.645 38.487 0.088 0.000 0.982 467 N HN 0.348 nan 8.380 nan 0.000 0.493 468 L N -0.539 120.727 121.223 0.072 0.000 2.526 468 L HA 0.130 4.471 4.340 0.001 0.000 0.210 468 L C 1.535 178.483 176.870 0.130 0.000 1.048 468 L CA 0.561 55.410 54.840 0.016 0.000 0.852 468 L CB 0.270 42.199 42.059 -0.217 0.000 1.128 468 L HN 0.048 nan 8.230 nan 0.000 0.482 469 S N -1.924 113.867 115.700 0.152 0.000 2.684 469 S HA 0.305 4.776 4.470 0.001 0.000 0.268 469 S C 0.748 175.432 174.600 0.140 0.000 1.075 469 S CA 0.148 58.449 58.200 0.167 0.000 1.184 469 S CB 0.400 63.734 63.200 0.225 0.000 1.129 469 S HN 0.172 nan 8.310 nan 0.000 0.630 470 G N 2.111 110.990 108.800 0.133 0.000 2.695 470 G HA2 0.537 4.498 3.960 0.001 0.000 0.213 470 G HA3 0.537 4.498 3.960 0.001 0.000 0.213 470 G C -1.972 173.047 174.900 0.199 0.000 1.406 470 G CA -1.493 43.696 45.100 0.149 0.000 1.049 470 G HN 0.061 nan 8.290 nan 0.000 0.573 471 P HA -0.139 nan 4.420 nan 0.000 0.218 471 P C 1.950 179.314 177.300 0.107 0.000 1.152 471 P CA 2.074 65.234 63.100 0.101 0.000 0.857 471 P CB -0.045 31.660 31.700 0.009 0.000 0.787 472 G N -0.890 107.950 108.800 0.066 0.000 2.443 472 G HA2 -0.198 3.763 3.960 0.001 0.000 0.219 472 G HA3 -0.198 3.763 3.960 0.001 0.000 0.219 472 G C 1.595 176.476 174.900 -0.031 0.000 1.131 472 G CA 0.388 45.503 45.100 0.026 0.000 0.775 472 G HN 0.172 nan 8.290 nan 0.000 0.547 473 V N -0.082 119.807 119.914 -0.041 0.000 2.392 473 V HA -0.224 3.897 4.120 0.001 0.000 0.249 473 V C 2.384 178.246 176.094 -0.387 0.000 1.059 473 V CA 1.579 63.760 62.300 -0.198 0.000 1.051 473 V CB -0.627 31.068 31.823 -0.214 0.000 0.658 473 V HN 0.469 nan 8.190 nan 0.000 0.455 474 Y N 1.067 121.194 120.300 -0.289 0.000 2.184 474 Y HA -0.198 4.353 4.550 0.001 0.000 0.290 474 Y C 2.969 178.409 175.900 -0.767 0.000 1.129 474 Y CA 1.756 59.522 58.100 -0.558 0.000 1.144 474 Y CB -1.186 37.028 38.460 -0.410 0.000 0.995 474 Y HN 0.426 nan 8.280 nan 0.000 0.513 475 T N -2.710 111.726 114.554 -0.197 0.000 2.788 475 T HA -0.150 4.201 4.350 0.001 0.000 0.268 475 T C 2.296 176.898 174.700 -0.164 0.000 1.044 475 T CA 1.269 63.316 62.100 -0.088 0.000 1.139 475 T CB -1.158 67.710 68.868 -0.000 0.000 0.867 475 T HN 0.383 nan 8.240 nan 0.000 0.454 476 G N 1.302 109.985 108.800 -0.195 0.000 2.418 476 G HA2 0.039 4.000 3.960 0.001 0.000 0.217 476 G HA3 0.039 4.000 3.960 0.001 0.000 0.217 476 G C 1.922 176.686 174.900 -0.227 0.000 1.158 476 G CA 0.887 45.874 45.100 -0.187 0.000 0.771 476 G HN 0.770 nan 8.290 nan 0.000 0.545 477 A N 0.040 122.642 122.820 -0.362 0.000 1.930 477 A HA 0.097 4.418 4.320 0.001 0.000 0.217 477 A C 2.234 179.654 177.584 -0.274 0.000 1.175 477 A CA 1.447 53.265 52.037 -0.366 0.000 0.627 477 A CB -0.540 18.149 19.000 -0.519 0.000 0.815 477 A HN 0.361 nan 8.150 nan 0.000 0.443 478 Y N -0.153 119.979 120.300 -0.279 0.000 2.181 478 Y HA -0.199 4.352 4.550 0.001 0.000 0.288 478 Y C 2.586 178.374 175.900 -0.187 0.000 1.146 478 Y CA 1.199 59.064 58.100 -0.392 0.000 1.164 478 Y CB -1.066 36.994 38.460 -0.666 0.000 0.982 478 Y HN 0.514 nan 8.280 nan 0.000 0.515 479 Q N 0.239 120.026 119.800 -0.022 0.000 2.119 479 Q HA -0.184 4.157 4.340 0.001 0.000 0.201 479 Q C 1.468 177.452 176.000 -0.026 0.000 0.972 479 Q CA 1.683 57.452 55.803 -0.057 0.000 0.847 479 Q CB -0.030 28.620 28.738 -0.147 0.000 0.903 479 Q HN 0.340 nan 8.270 nan 0.000 0.433 480 D N 0.302 120.682 120.400 -0.033 0.000 2.092 480 D HA -0.181 4.460 4.640 0.001 0.000 0.193 480 D C 1.825 178.165 176.300 0.068 0.000 0.994 480 D CA 0.943 54.951 54.000 0.014 0.000 0.828 480 D CB -0.260 40.531 40.800 -0.015 0.000 0.963 480 D HN 0.221 nan 8.370 nan 0.000 0.450 481 L N 0.513 121.773 121.223 0.062 0.000 1.970 481 L HA -0.147 4.194 4.340 0.001 0.000 0.212 481 L C 2.306 179.157 176.870 -0.032 0.000 1.071 481 L CA 1.510 56.399 54.840 0.082 0.000 0.751 481 L CB -0.470 41.634 42.059 0.075 0.000 0.889 481 L HN 0.049 nan 8.230 nan 0.000 0.432 482 L N -1.367 119.828 121.223 -0.047 0.000 2.141 482 L HA -0.161 4.179 4.340 0.001 0.000 0.209 482 L C 1.825 178.447 176.870 -0.414 0.000 1.094 482 L CA 0.754 55.504 54.840 -0.150 0.000 0.763 482 L CB -0.346 41.736 42.059 0.038 0.000 0.908 482 L HN 0.384 nan 8.230 nan 0.000 0.437 483 M N -1.528 117.915 119.600 -0.261 0.000 2.333 483 M HA 0.180 4.661 4.480 0.001 0.000 0.257 483 M C -0.127 176.203 176.300 0.050 0.000 1.078 483 M CA -0.135 55.112 55.300 -0.088 0.000 1.005 483 M CB -0.078 32.587 32.600 0.108 0.000 1.444 483 M HN 0.035 nan 8.290 nan 0.000 0.496 484 F N 0.543 120.582 119.950 0.147 0.000 3.030 484 F HA -0.259 4.268 4.527 0.001 0.000 0.309 484 F C 0.291 176.152 175.800 0.103 0.000 0.941 484 F CA 0.309 58.379 58.000 0.116 0.000 1.082 484 F CB -1.951 37.037 39.000 -0.021 0.000 1.113 484 F HN 0.034 nan 8.300 nan 0.000 0.716 485 K N 0.059 120.583 120.400 0.206 0.000 2.306 485 K HA 0.510 4.830 4.320 0.001 0.000 0.236 485 K C 0.568 177.234 176.600 0.110 0.000 1.013 485 K CA -0.659 55.710 56.287 0.137 0.000 0.857 485 K CB 1.447 34.001 32.500 0.090 0.000 1.214 485 K HN -0.020 nan 8.250 nan 0.000 0.449 486 D N 0.230 120.668 120.400 0.062 0.000 2.500 486 D HA 0.005 4.645 4.640 0.001 0.000 0.217 486 D C 0.185 176.469 176.300 -0.027 0.000 1.159 486 D CA 0.263 54.276 54.000 0.022 0.000 0.828 486 D CB 0.579 41.396 40.800 0.028 0.000 1.039 486 D HN 0.491 nan 8.370 nan 0.000 0.512 487 N N -0.602 118.081 118.700 -0.028 0.000 2.240 487 N HA -0.013 4.728 4.740 0.001 0.000 0.240 487 N C -0.421 175.041 175.510 -0.079 0.000 1.277 487 N CA -0.277 52.735 53.050 -0.064 0.000 0.873 487 N CB -0.026 38.431 38.487 -0.050 0.000 1.222 487 N HN -0.336 nan 8.380 nan 0.000 0.507 488 S N 0.141 115.800 115.700 -0.067 0.000 2.546 488 S HA 0.131 4.601 4.470 0.001 0.000 0.290 488 S C 0.513 175.050 174.600 -0.105 0.000 1.262 488 S CA 0.330 58.490 58.200 -0.066 0.000 1.083 488 S CB 0.630 63.790 63.200 -0.067 0.000 0.859 488 S HN 0.434 nan 8.310 nan 0.000 0.495 489 T N 1.366 115.868 114.554 -0.086 0.000 3.028 489 T HA 0.137 4.488 4.350 0.001 0.000 0.262 489 T C 0.121 174.802 174.700 -0.033 0.000 0.916 489 T CA -0.326 61.710 62.100 -0.107 0.000 0.873 489 T CB 0.083 68.845 68.868 -0.177 0.000 1.232 489 T HN 0.484 nan 8.240 nan 0.000 0.529 490 N N 1.668 120.366 118.700 -0.003 0.000 2.564 490 N HA 0.439 5.180 4.740 0.001 0.000 0.248 490 N C -1.554 173.984 175.510 0.045 0.000 0.986 490 N CA -0.502 52.570 53.050 0.036 0.000 0.921 490 N CB 0.204 38.723 38.487 0.053 0.000 1.136 490 N HN 0.003 nan 8.380 nan 0.000 0.509 491 I N 4.176 124.756 120.570 0.016 0.000 2.352 491 I HA 0.153 4.324 4.170 0.001 0.000 0.290 491 I C 1.495 177.613 176.117 0.003 0.000 1.036 491 I CA -0.127 61.145 61.300 -0.046 0.000 1.336 491 I CB 0.764 38.737 38.000 -0.046 0.000 1.407 491 I HN 0.635 nan 8.210 nan 0.000 0.497 492 H N 6.030 125.128 119.070 0.047 0.000 2.986 492 H HA 0.323 4.880 4.556 0.001 0.000 0.267 492 H C 0.197 175.564 175.328 0.065 0.000 1.072 492 H CA -0.373 55.706 56.048 0.051 0.000 1.202 492 H CB 0.070 29.859 29.762 0.044 0.000 1.535 492 H HN 0.284 nan 8.280 nan 0.000 0.522 493 L N 2.544 123.667 121.223 -0.167 0.000 2.490 493 L HA 0.096 4.437 4.340 0.001 0.000 0.274 493 L C 0.169 177.090 176.870 0.085 0.000 1.201 493 L CA 0.182 55.026 54.840 0.006 0.000 0.869 493 L CB 0.751 42.803 42.059 -0.011 0.000 1.123 493 L HN 0.116 nan 8.230 nan 0.000 0.484 494 L N 2.371 123.665 121.223 0.119 0.000 2.375 494 L HA 0.213 4.554 4.340 0.001 0.000 0.268 494 L C 1.505 178.461 176.870 0.144 0.000 1.058 494 L CA -0.465 54.448 54.840 0.121 0.000 0.803 494 L CB 1.264 43.387 42.059 0.108 0.000 1.212 494 L HN 0.681 nan 8.230 nan 0.000 0.451 495 E N 1.490 121.782 120.200 0.153 0.000 2.136 495 E HA -0.244 4.107 4.350 0.001 0.000 0.208 495 E C -0.897 175.779 176.600 0.128 0.000 1.035 495 E CA 2.122 58.636 56.400 0.190 0.000 0.838 495 E CB -0.622 29.174 29.700 0.159 0.000 0.748 495 E HN 0.546 nan 8.360 nan 0.000 0.459 496 P HA -0.147 nan 4.420 nan 0.000 0.216 496 P C 0.663 177.997 177.300 0.057 0.000 1.150 496 P CA 1.523 64.646 63.100 0.040 0.000 0.837 496 P CB -0.054 31.669 31.700 0.038 0.000 0.786 497 E N -0.577 119.683 120.200 0.101 0.000 2.072 497 E HA -0.110 4.241 4.350 0.001 0.000 0.191 497 E C 1.905 178.634 176.600 0.216 0.000 0.985 497 E CA 0.858 57.336 56.400 0.130 0.000 0.801 497 E CB -0.594 29.195 29.700 0.148 0.000 0.750 497 E HN 0.247 nan 8.360 nan 0.000 0.452 498 L N 0.538 121.922 121.223 0.268 0.000 2.291 498 L HA -0.076 4.265 4.340 0.001 0.000 0.214 498 L C 2.271 179.441 176.870 0.500 0.000 1.120 498 L CA 0.601 55.692 54.840 0.419 0.000 0.799 498 L CB -0.179 42.149 42.059 0.448 0.000 0.925 498 L HN 0.010 nan 8.230 nan 0.000 0.446 499 R N 0.024 120.636 120.500 0.188 0.000 2.316 499 R HA -0.021 4.320 4.340 0.001 0.000 0.202 499 R C 1.453 177.713 176.300 -0.066 0.000 1.029 499 R CA 0.280 56.328 56.100 -0.087 0.000 1.018 499 R CB -0.335 29.790 30.300 -0.291 0.000 0.888 499 R HN 0.479 nan 8.270 nan 0.000 0.471 500 N N 0.413 119.045 118.700 -0.113 0.000 2.443 500 N HA -0.131 4.610 4.740 0.001 0.000 0.184 500 N C 0.454 175.612 175.510 -0.586 0.000 1.037 500 N CA 1.159 53.964 53.050 -0.409 0.000 0.896 500 N CB 0.022 38.124 38.487 -0.640 0.000 0.959 500 N HN 0.224 nan 8.380 nan 0.000 0.442 501 F N 0.735 120.627 119.950 -0.096 0.000 2.668 501 F HA 0.198 4.726 4.527 0.001 0.000 0.301 501 F C 0.697 176.546 175.800 0.081 0.000 1.106 501 F CA -0.752 57.173 58.000 -0.125 0.000 1.289 501 F CB 0.029 38.697 39.000 -0.554 0.000 1.006 501 F HN -0.094 nan 8.300 nan 0.000 0.535 502 E N 0.715 121.087 120.200 0.287 0.000 2.366 502 E HA 0.105 4.456 4.350 0.001 0.000 0.266 502 E C -0.468 176.314 176.600 0.305 0.000 1.051 502 E CA -0.766 55.876 56.400 0.402 0.000 0.884 502 E CB 0.937 30.761 29.700 0.206 0.000 1.006 502 E HN 0.217 nan 8.360 nan 0.000 0.417 503 F N 3.801 123.881 119.950 0.218 0.000 2.607 503 F HA 0.084 4.612 4.527 0.001 0.000 0.374 503 F C -1.605 174.266 175.800 0.119 0.000 1.104 503 F CA -1.841 56.250 58.000 0.151 0.000 1.296 503 F CB 0.544 39.635 39.000 0.150 0.000 1.085 503 F HN 0.420 nan 8.300 nan 0.000 0.584 504 P HA -0.093 nan 4.420 nan 0.000 0.258 504 P C -0.193 177.305 177.300 0.330 0.000 1.187 504 P CA 0.130 63.325 63.100 0.157 0.000 0.767 504 P CB 0.919 32.629 31.700 0.015 0.000 0.770 505 K N 3.600 124.132 120.400 0.220 0.000 2.097 505 K HA -0.122 4.199 4.320 0.001 0.000 0.206 505 K C 1.754 178.466 176.600 0.188 0.000 1.049 505 K CA 2.219 58.627 56.287 0.201 0.000 0.933 505 K CB -1.063 31.514 32.500 0.128 0.000 0.717 505 K HN 0.529 nan 8.250 nan 0.000 0.442 506 T N -2.108 112.542 114.554 0.161 0.000 3.035 506 T HA 0.022 4.372 4.350 0.001 0.000 0.268 506 T C 1.274 176.070 174.700 0.161 0.000 1.109 506 T CA 0.703 62.885 62.100 0.136 0.000 1.119 506 T CB -0.071 68.856 68.868 0.098 0.000 0.900 506 T HN 0.142 nan 8.240 nan 0.000 0.503 507 K N 0.369 120.914 120.400 0.243 0.000 2.410 507 K HA 0.513 4.834 4.320 0.001 0.000 0.200 507 K C -0.156 176.684 176.600 0.400 0.000 1.023 507 K CA -0.136 56.331 56.287 0.301 0.000 1.149 507 K CB 0.281 32.970 32.500 0.315 0.000 0.859 507 K HN 0.453 nan 8.250 nan 0.000 0.514 508 I N -0.830 119.903 120.570 0.271 0.000 2.918 508 I HA 0.135 4.305 4.170 0.001 0.000 0.301 508 I C -1.795 174.387 176.117 0.109 0.000 1.312 508 I CA -0.606 60.803 61.300 0.182 0.000 1.007 508 I CB 2.415 40.370 38.000 -0.076 0.000 1.281 508 I HN -0.190 nan 8.210 nan 0.000 0.440 509 S N 4.858 120.617 115.700 0.099 0.000 2.774 509 S HA 0.429 4.900 4.470 0.001 0.000 0.297 509 S C -0.117 174.561 174.600 0.129 0.000 1.143 509 S CA -0.453 57.808 58.200 0.103 0.000 1.090 509 S CB 1.561 64.815 63.200 0.091 0.000 1.019 509 S HN 0.779 nan 8.310 nan 0.000 0.482 510 Q N 3.321 123.192 119.800 0.118 0.000 2.391 510 Q HA 0.327 4.668 4.340 0.001 0.000 0.211 510 Q C 0.158 176.243 176.000 0.142 0.000 0.908 510 Q CA 0.501 56.376 55.803 0.121 0.000 0.920 510 Q CB 0.157 28.946 28.738 0.085 0.000 1.056 510 Q HN 0.687 nan 8.270 nan 0.000 0.523 511 L N 2.782 124.089 121.223 0.141 0.000 2.480 511 L HA 0.155 4.496 4.340 0.001 0.000 0.243 511 L C 0.349 177.327 176.870 0.179 0.000 1.315 511 L CA -0.420 54.504 54.840 0.141 0.000 1.231 511 L CB -0.465 41.669 42.059 0.125 0.000 1.444 511 L HN 0.099 nan 8.230 nan 0.000 0.409 512 T N -4.576 110.110 114.554 0.221 0.000 2.927 512 T HA 0.173 4.524 4.350 0.001 0.000 0.281 512 T C 1.037 175.864 174.700 0.212 0.000 0.998 512 T CA -0.666 61.628 62.100 0.323 0.000 1.019 512 T CB 1.993 71.158 68.868 0.496 0.000 1.061 512 T HN 0.462 nan 8.240 nan 0.000 0.518 513 E N 0.218 120.484 120.200 0.109 0.000 2.058 513 E HA -0.285 4.065 4.350 0.001 0.000 0.194 513 E C 2.007 178.593 176.600 -0.024 0.000 0.997 513 E CA 1.400 57.729 56.400 -0.118 0.000 0.801 513 E CB -0.155 29.198 29.700 -0.577 0.000 0.746 513 E HN 0.713 nan 8.360 nan 0.000 0.450 514 Q N 0.828 120.656 119.800 0.046 0.000 2.119 514 Q HA -0.210 4.131 4.340 0.001 0.000 0.201 514 Q C 1.841 177.834 176.000 -0.012 0.000 0.972 514 Q CA 2.098 57.871 55.803 -0.049 0.000 0.847 514 Q CB -0.171 28.397 28.738 -0.285 0.000 0.903 514 Q HN 0.326 nan 8.270 nan 0.000 0.433 515 E N -0.248 119.981 120.200 0.049 0.000 2.106 515 E HA -0.104 4.246 4.350 0.001 0.000 0.192 515 E C 1.693 178.325 176.600 0.053 0.000 0.984 515 E CA 1.282 57.719 56.400 0.061 0.000 0.806 515 E CB -0.347 29.412 29.700 0.099 0.000 0.750 515 E HN 0.536 nan 8.360 nan 0.000 0.458 516 I N 0.300 120.902 120.570 0.054 0.000 2.315 516 I HA -0.222 3.949 4.170 0.001 0.000 0.248 516 I C 2.049 178.183 176.117 0.028 0.000 1.117 516 I CA 1.492 62.819 61.300 0.044 0.000 1.404 516 I CB -0.265 37.762 38.000 0.045 0.000 1.071 516 I HN 0.138 nan 8.210 nan 0.000 0.419 517 T N -0.439 114.123 114.554 0.013 0.000 2.833 517 T HA -0.148 4.202 4.350 0.001 0.000 0.269 517 T C 1.791 176.502 174.700 0.017 0.000 1.054 517 T CA 1.604 63.708 62.100 0.006 0.000 1.135 517 T CB -0.305 68.556 68.868 -0.012 0.000 0.869 517 T HN 0.466 nan 8.240 nan 0.000 0.466 518 S N 0.440 116.154 115.700 0.024 0.000 2.754 518 S HA 0.279 4.750 4.470 0.001 0.000 0.223 518 S C 0.376 174.999 174.600 0.038 0.000 0.951 518 S CA -0.393 57.828 58.200 0.035 0.000 0.954 518 S CB -0.689 62.537 63.200 0.043 0.000 0.780 518 S HN 0.316 nan 8.310 nan 0.000 0.509 526 R N 0.090 120.593 120.500 0.005 0.000 2.628 526 R HA 0.678 5.019 4.340 0.001 0.000 0.288 526 R C -0.348 175.949 176.300 -0.005 0.000 0.980 526 R CA -0.385 55.717 56.100 0.003 0.000 0.891 526 R CB 2.350 32.659 30.300 0.015 0.000 1.188 526 R HN 1.174 nan 8.270 nan 0.000 0.450 527 A N 3.196 126.029 122.820 0.022 0.000 2.527 527 A HA 0.121 4.442 4.320 0.001 0.000 0.313 527 A C 1.008 178.632 177.584 0.066 0.000 1.410 527 A CA -0.450 51.605 52.037 0.029 0.000 1.060 527 A CB -0.084 18.943 19.000 0.045 0.000 1.137 527 A HN 0.891 nan 8.150 nan 0.000 0.542 528 K N 1.257 121.653 120.400 -0.007 0.000 2.360 528 K HA -0.129 4.191 4.320 0.001 0.000 0.201 528 K C 1.337 178.005 176.600 0.113 0.000 1.046 528 K CA 1.673 57.967 56.287 0.012 0.000 0.945 528 K CB -0.205 32.139 32.500 -0.259 0.000 0.750 528 K HN 0.592 nan 8.250 nan 0.000 0.464 529 S N 0.852 116.575 115.700 0.038 0.000 2.515 529 S HA -0.084 4.387 4.470 0.001 0.000 0.231 529 S C 1.866 176.431 174.600 -0.058 0.000 0.987 529 S CA 0.379 58.574 58.200 -0.008 0.000 0.936 529 S CB -0.097 63.085 63.200 -0.031 0.000 0.766 529 S HN 0.376 nan 8.310 nan 0.000 0.528 530 Q N 0.096 119.888 119.800 -0.013 0.000 2.079 530 Q HA -0.004 4.337 4.340 0.001 0.000 0.200 530 Q C 1.801 177.548 176.000 -0.421 0.000 0.974 530 Q CA 1.408 57.101 55.803 -0.184 0.000 0.840 530 Q CB -0.315 28.438 28.738 0.025 0.000 0.898 530 Q HN 0.695 nan 8.270 nan 0.000 0.430 531 F N 1.966 121.795 119.950 -0.201 0.000 2.293 531 F HA -0.116 4.412 4.527 0.001 0.000 0.300 531 F C 1.519 177.165 175.800 -0.256 0.000 1.086 531 F CA 1.300 59.131 58.000 -0.282 0.000 1.375 531 F CB 0.087 39.068 39.000 -0.031 0.000 1.045 531 F HN 0.012 nan 8.300 nan 0.000 0.516 532 E N -0.095 119.905 120.200 -0.332 0.000 2.285 532 E HA -0.197 4.154 4.350 0.001 0.000 0.194 532 E C 1.982 178.396 176.600 -0.311 0.000 0.997 532 E CA 0.974 57.160 56.400 -0.357 0.000 0.845 532 E CB -0.206 29.399 29.700 -0.159 0.000 0.782 532 E HN 0.659 nan 8.360 nan 0.000 0.491 533 E N 0.475 120.473 120.200 -0.337 0.000 2.046 533 E HA -0.182 4.169 4.350 0.001 0.000 0.190 533 E C 1.406 177.889 176.600 -0.194 0.000 0.982 533 E CA 0.857 57.092 56.400 -0.275 0.000 0.800 533 E CB -0.072 29.433 29.700 -0.324 0.000 0.756 533 E HN 0.228 nan 8.360 nan 0.000 0.449 534 Y N 1.169 121.358 120.300 -0.185 0.000 2.403 534 Y HA -0.058 4.493 4.550 0.001 0.000 0.291 534 Y C 2.199 177.962 175.900 -0.228 0.000 1.143 534 Y CA 0.896 58.880 58.100 -0.193 0.000 1.257 534 Y CB -0.511 37.780 38.460 -0.280 0.000 0.984 534 Y HN 0.057 nan 8.280 nan 0.000 0.550 535 K N 0.604 120.853 120.400 -0.251 0.000 2.097 535 K HA -0.144 4.177 4.320 0.001 0.000 0.205 535 K C 1.956 178.530 176.600 -0.042 0.000 1.050 535 K CA 1.083 57.219 56.287 -0.252 0.000 0.938 535 K CB 0.040 32.262 32.500 -0.464 0.000 0.718 535 K HN 0.231 nan 8.250 nan 0.000 0.442 536 K N -0.617 119.761 120.400 -0.036 0.000 2.031 536 K HA -0.050 4.271 4.320 0.001 0.000 0.205 536 K C 1.932 178.605 176.600 0.122 0.000 1.049 536 K CA 1.259 57.571 56.287 0.041 0.000 0.939 536 K CB -0.158 32.345 32.500 0.004 0.000 0.717 536 K HN 0.222 nan 8.250 nan 0.000 0.438 537 G N -0.551 108.319 108.800 0.117 0.000 2.708 537 G HA2 -0.218 3.743 3.960 0.001 0.000 0.210 537 G HA3 -0.218 3.743 3.960 0.001 0.000 0.210 537 G C 0.830 175.840 174.900 0.182 0.000 1.141 537 G CA 0.296 45.477 45.100 0.135 0.000 0.788 537 G HN 0.283 nan 8.290 nan 0.000 0.531 538 Y N -1.345 118.998 120.300 0.071 0.000 2.467 538 Y HA 0.439 4.990 4.550 0.001 0.000 0.250 538 Y C 1.469 177.450 175.900 0.136 0.000 1.155 538 Y CA -0.867 57.281 58.100 0.079 0.000 1.249 538 Y CB 0.390 38.892 38.460 0.071 0.000 1.146 538 Y HN 0.174 nan 8.280 nan 0.000 0.524 539 F N -0.317 119.659 119.950 0.043 0.000 2.557 539 F HA 0.261 4.789 4.527 0.001 0.000 0.278 539 F C 1.153 176.935 175.800 -0.031 0.000 1.051 539 F CA -0.074 57.924 58.000 -0.004 0.000 1.357 539 F CB 0.148 39.162 39.000 0.023 0.000 1.104 539 F HN -0.295 nan 8.300 nan 0.000 0.654 540 E N 0.000 120.229 120.200 0.048 0.000 2.725 540 E HA 0.000 4.351 4.350 0.001 0.000 0.291 540 E CA 0.000 56.377 56.400 -0.038 0.000 0.976 540 E CB 0.000 29.732 29.700 0.054 0.000 0.812 540 E HN 0.000 nan 8.360 nan 0.000 0.440