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 3lxd_1_A DATA FIRST_RESID 7 DATA SEQUENCE AERADVVIVG AGHGGAQAAI ALRQNGFEGR VLVIGREPEI PYERPPLSKE DATA SEQUENCE YLAREKTFER ICIRPAQFWE DKAVEMKLGA EVVSLDPAAH TVKLGDGSAI DATA SEQUENCE EYGKLIWATG GDPRRLScVG ADLAGVHAVR TKEDADRLMA ELDAGAKNAV DATA SEQUENCE VIGGGYIGLE AAAVLTKFGV NVTLLEALPR VLARVAGEAL SEFYQAEHRA DATA SEQUENCE HGVDLRTGAA MDcIEGDGTK VTGVRMQDGS VIPADIVIVG IGIVPCVGAL DATA SEQUENCE ISAGASGGNG VDVDEFCRTS LTDVYAIGDC AAHANDFADG AVIRLESVQN DATA SEQUENCE ANDMATAAAK DICGAPVPYK ATPWFWSNQY DLKLQTVGLS TGHDNAVLRG DATA SEQUENCE DPATRSFSVV YLKGGKVVAL DCVNMVKDYV QGKKLVEARA QIAPEQLADA DATA SEQUENCE GVPLKEMLA 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 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.595 177.584 0.019 0.000 1.274 7 A CA 0.000 52.045 52.037 0.014 0.000 0.836 7 A CB 0.000 19.006 19.000 0.010 0.000 0.831 8 E N 1.323 121.538 120.200 0.024 0.000 2.366 8 E HA 0.413 4.765 4.350 0.003 0.000 0.266 8 E C 0.130 176.755 176.600 0.042 0.000 1.015 8 E CA 0.100 56.519 56.400 0.031 0.000 0.906 8 E CB 0.367 30.086 29.700 0.031 0.000 0.979 8 E HN 0.582 nan 8.360 nan 0.000 0.443 9 R N 2.117 122.646 120.500 0.047 0.000 2.651 9 R HA 0.776 5.118 4.340 0.003 0.000 0.278 9 R C -1.574 174.774 176.300 0.079 0.000 1.010 9 R CA -0.999 55.139 56.100 0.063 0.000 0.896 9 R CB 1.650 31.977 30.300 0.045 0.000 1.211 9 R HN 0.345 nan 8.270 nan 0.000 0.456 10 A N 1.121 124.009 122.820 0.113 0.000 2.413 10 A HA 0.399 4.721 4.320 0.003 0.000 0.307 10 A C -0.238 177.450 177.584 0.173 0.000 1.087 10 A CA -0.882 51.232 52.037 0.128 0.000 0.750 10 A CB 1.363 20.433 19.000 0.118 0.000 1.296 10 A HN 0.879 nan 8.150 nan 0.000 0.423 11 D N -0.132 120.387 120.400 0.198 0.000 2.144 11 D HA -0.012 4.630 4.640 0.003 0.000 0.200 11 D C 0.145 176.613 176.300 0.281 0.000 0.978 11 D CA 1.793 55.955 54.000 0.270 0.000 0.833 11 D CB 0.236 41.243 40.800 0.344 0.000 0.961 11 D HN 0.222 nan 8.370 nan 0.000 0.470 12 V N 1.328 121.363 119.914 0.203 0.000 2.577 12 V HA 0.255 4.377 4.120 0.003 0.000 0.303 12 V C -0.191 175.937 176.094 0.056 0.000 1.042 12 V CA -0.732 61.606 62.300 0.062 0.000 0.872 12 V CB 2.766 34.482 31.823 -0.178 0.000 0.998 12 V HN -0.261 nan 8.190 nan 0.000 0.423 13 V N 6.243 126.183 119.914 0.042 0.000 2.384 13 V HA 0.520 4.642 4.120 0.003 0.000 0.287 13 V C -0.236 175.818 176.094 -0.066 0.000 1.020 13 V CA -0.372 61.933 62.300 0.009 0.000 0.850 13 V CB 1.737 33.601 31.823 0.068 0.000 0.987 13 V HN 0.687 nan 8.190 nan 0.000 0.436 14 I N 5.361 125.878 120.570 -0.087 0.000 2.339 14 I HA 0.419 4.591 4.170 0.003 0.000 0.290 14 I C -0.287 175.726 176.117 -0.174 0.000 0.994 14 I CA -0.635 60.589 61.300 -0.127 0.000 1.191 14 I CB 1.873 39.794 38.000 -0.132 0.000 1.343 14 I HN 0.402 nan 8.210 nan 0.000 0.458 15 V N 7.136 126.902 119.914 -0.246 0.000 2.347 15 V HA 0.907 5.029 4.120 0.003 0.000 0.280 15 V C 0.074 175.908 176.094 -0.432 0.000 1.021 15 V CA 0.197 62.265 62.300 -0.386 0.000 0.847 15 V CB 0.631 32.089 31.823 -0.608 0.000 0.990 15 V HN 1.010 nan 8.190 nan 0.000 0.444 16 G N 4.771 113.372 108.800 -0.332 0.000 3.233 16 G HA2 0.389 4.351 3.960 0.003 0.000 0.686 16 G HA3 0.389 4.351 3.960 0.003 0.000 0.686 16 G C -0.196 174.568 174.900 -0.227 0.000 1.153 16 G CA -0.251 44.683 45.100 -0.276 0.000 0.853 16 G HN 2.067 nan 8.290 nan 0.000 0.582 17 A N 1.548 124.243 122.820 -0.209 0.000 2.793 17 A HA 0.808 5.130 4.320 0.003 0.000 0.301 17 A C 1.285 178.728 177.584 -0.235 0.000 1.172 17 A CA 1.105 53.008 52.037 -0.225 0.000 0.973 17 A CB -0.127 18.741 19.000 -0.220 0.000 1.164 17 A HN 2.081 nan 8.150 nan 0.000 0.542 18 G N -1.074 107.591 108.800 -0.225 0.000 2.773 18 G HA2 0.342 4.304 3.960 0.003 0.000 0.186 18 G HA3 0.342 4.304 3.960 0.003 0.000 0.186 18 G C 0.656 175.413 174.900 -0.237 0.000 1.411 18 G CA -0.026 44.910 45.100 -0.272 0.000 1.054 18 G HN 0.457 nan 8.290 nan 0.000 0.579 19 H N -0.491 118.489 119.070 -0.150 0.000 2.321 19 H HA -0.037 4.521 4.556 0.003 0.000 0.300 19 H C 2.733 178.012 175.328 -0.082 0.000 1.087 19 H CA 2.045 58.033 56.048 -0.099 0.000 1.319 19 H CB -0.248 29.458 29.762 -0.093 0.000 1.379 19 H HN 0.482 nan 8.280 nan 0.000 0.501 20 G N -0.352 108.462 108.800 0.025 0.000 2.459 20 G HA2 -0.264 3.698 3.960 0.003 0.000 0.217 20 G HA3 -0.264 3.698 3.960 0.003 0.000 0.217 20 G C 2.033 176.899 174.900 -0.057 0.000 1.183 20 G CA 0.836 45.917 45.100 -0.031 0.000 0.776 20 G HN 0.538 nan 8.290 nan 0.000 0.552 21 G N 1.176 109.920 108.800 -0.094 0.000 2.459 21 G HA2 -0.008 3.954 3.960 0.003 0.000 0.217 21 G HA3 -0.008 3.954 3.960 0.003 0.000 0.217 21 G C 2.111 176.955 174.900 -0.093 0.000 1.183 21 G CA 1.879 46.906 45.100 -0.123 0.000 0.776 21 G HN 0.703 nan 8.290 nan 0.000 0.552 22 A N -0.076 122.697 122.820 -0.078 0.000 1.865 22 A HA -0.107 4.215 4.320 0.003 0.000 0.217 22 A C 2.407 180.104 177.584 0.189 0.000 1.191 22 A CA 2.105 54.180 52.037 0.065 0.000 0.623 22 A CB -0.469 18.605 19.000 0.123 0.000 0.826 22 A HN 0.333 nan 8.150 nan 0.000 0.444 23 Q N -0.538 119.318 119.800 0.093 0.000 2.170 23 Q HA -0.097 4.245 4.340 0.003 0.000 0.203 23 Q C 2.382 178.414 176.000 0.053 0.000 0.976 23 Q CA 1.479 57.329 55.803 0.079 0.000 0.858 23 Q CB -0.752 28.013 28.738 0.045 0.000 0.907 23 Q HN 0.677 nan 8.270 nan 0.000 0.433 24 A N 1.099 123.924 122.820 0.008 0.000 1.902 24 A HA -0.081 4.241 4.320 0.003 0.000 0.217 24 A C 2.336 179.915 177.584 -0.009 0.000 1.181 24 A CA 1.897 53.910 52.037 -0.040 0.000 0.623 24 A CB -0.625 18.322 19.000 -0.088 0.000 0.818 24 A HN 0.363 nan 8.150 nan 0.000 0.443 25 A N -0.183 122.673 122.820 0.059 0.000 1.898 25 A HA -0.032 4.290 4.320 0.003 0.000 0.216 25 A C 2.116 179.838 177.584 0.230 0.000 1.181 25 A CA 1.438 53.557 52.037 0.137 0.000 0.620 25 A CB -0.584 18.534 19.000 0.196 0.000 0.819 25 A HN 0.482 nan 8.150 nan 0.000 0.442 26 I N -0.170 120.578 120.570 0.296 0.000 2.179 26 I HA -0.291 3.881 4.170 0.003 0.000 0.242 26 I C 2.987 179.199 176.117 0.158 0.000 1.088 26 I CA 1.131 62.597 61.300 0.277 0.000 1.357 26 I CB -0.325 37.802 38.000 0.213 0.000 1.051 26 I HN 0.354 nan 8.210 nan 0.000 0.409 27 A N 0.680 123.557 122.820 0.095 0.000 1.877 27 A HA -0.187 4.135 4.320 0.003 0.000 0.216 27 A C 2.176 179.786 177.584 0.043 0.000 1.186 27 A CA 1.338 53.406 52.037 0.052 0.000 0.620 27 A CB -0.789 18.218 19.000 0.011 0.000 0.822 27 A HN 0.269 nan 8.150 nan 0.000 0.443 28 L N -0.090 121.140 121.223 0.011 0.000 1.976 28 L HA -0.239 4.103 4.340 0.003 0.000 0.223 28 L C 2.707 179.650 176.870 0.123 0.000 1.081 28 L CA 2.072 56.912 54.840 -0.000 0.000 0.784 28 L CB -1.064 40.939 42.059 -0.092 0.000 0.896 28 L HN 0.351 nan 8.230 nan 0.000 0.438 29 R N -0.629 119.951 120.500 0.134 0.000 2.081 29 R HA -0.137 4.205 4.340 0.003 0.000 0.235 29 R C 2.119 178.478 176.300 0.098 0.000 1.131 29 R CA 1.110 57.286 56.100 0.128 0.000 0.960 29 R CB -0.804 29.550 30.300 0.090 0.000 0.856 29 R HN 0.584 nan 8.270 nan 0.000 0.436 30 Q N 0.352 120.209 119.800 0.094 0.000 2.234 30 Q HA -0.128 4.214 4.340 0.003 0.000 0.206 30 Q C 0.581 176.623 176.000 0.070 0.000 0.980 30 Q CA 1.428 57.278 55.803 0.078 0.000 0.869 30 Q CB -0.103 28.683 28.738 0.080 0.000 0.912 30 Q HN 0.392 nan 8.270 nan 0.000 0.436 31 N N -1.499 117.249 118.700 0.081 0.000 2.235 31 N HA 0.154 4.896 4.740 0.003 0.000 0.209 31 N C 0.110 175.679 175.510 0.098 0.000 1.122 31 N CA 0.526 53.624 53.050 0.080 0.000 0.845 31 N CB 1.418 39.949 38.487 0.074 0.000 1.004 31 N HN 0.261 nan 8.380 nan 0.000 0.499 32 G N 0.287 109.148 108.800 0.102 0.000 2.141 32 G HA2 -0.291 3.671 3.960 0.003 0.000 0.242 32 G HA3 -0.291 3.671 3.960 0.003 0.000 0.242 32 G C -0.076 174.887 174.900 0.104 0.000 0.982 32 G CA -0.560 44.590 45.100 0.083 0.000 0.662 32 G HN 0.352 nan 8.290 nan 0.000 0.527 33 F N 1.247 121.204 119.950 0.012 0.000 2.538 33 F HA 0.481 5.009 4.527 0.003 0.000 0.371 33 F C 1.260 177.067 175.800 0.011 0.000 1.087 33 F CA 0.847 58.855 58.000 0.013 0.000 1.250 33 F CB 0.755 39.763 39.000 0.013 0.000 1.110 33 F HN 0.176 nan 8.300 nan 0.000 0.570 34 E N 2.692 122.558 120.200 -0.557 0.000 2.485 34 E HA 0.191 4.543 4.350 0.003 0.000 0.213 34 E C 1.141 177.538 176.600 -0.337 0.000 0.923 34 E CA -0.082 56.128 56.400 -0.315 0.000 1.054 34 E CB 0.356 29.925 29.700 -0.219 0.000 1.077 34 E HN 0.805 nan 8.360 nan 0.000 0.509 35 G N 1.157 109.532 108.800 -0.707 0.000 2.712 35 G HA2 -0.040 3.922 3.960 0.003 0.000 0.258 35 G HA3 -0.040 3.922 3.960 0.003 0.000 0.258 35 G C -0.195 174.760 174.900 0.091 0.000 1.241 35 G CA -0.406 44.536 45.100 -0.265 0.000 0.923 35 G HN 0.086 nan 8.290 nan 0.000 0.548 36 R N -1.016 119.564 120.500 0.134 0.000 2.442 36 R HA 0.325 4.667 4.340 0.003 0.000 0.291 36 R C -0.879 175.548 176.300 0.212 0.000 1.069 36 R CA -0.224 55.963 56.100 0.145 0.000 1.022 36 R CB 0.369 30.727 30.300 0.097 0.000 0.976 36 R HN 0.156 nan 8.270 nan 0.000 0.443 37 V N 6.684 126.696 119.914 0.163 0.000 2.444 37 V HA 0.354 4.476 4.120 0.003 0.000 0.294 37 V C -0.883 175.246 176.094 0.058 0.000 1.022 37 V CA -0.852 61.518 62.300 0.117 0.000 0.850 37 V CB 1.396 33.289 31.823 0.117 0.000 0.992 37 V HN 0.598 nan 8.190 nan 0.000 0.426 38 L N 6.393 127.634 121.223 0.030 0.000 2.356 38 L HA 0.816 5.158 4.340 0.003 0.000 0.277 38 L C -0.702 176.139 176.870 -0.048 0.000 0.996 38 L CA -0.332 54.507 54.840 -0.002 0.000 0.822 38 L CB 1.967 44.038 42.059 0.020 0.000 1.256 38 L HN 0.507 nan 8.230 nan 0.000 0.413 39 V N 6.625 126.484 119.914 -0.093 0.000 2.448 39 V HA 0.630 4.752 4.120 0.003 0.000 0.295 39 V C -0.613 175.399 176.094 -0.136 0.000 1.025 39 V CA -0.378 61.839 62.300 -0.139 0.000 0.859 39 V CB 1.611 33.312 31.823 -0.204 0.000 0.988 39 V HN 0.695 nan 8.190 nan 0.000 0.431 40 I N 7.038 127.525 120.570 -0.137 0.000 2.330 40 I HA 0.693 4.865 4.170 0.003 0.000 0.289 40 I C 0.688 176.708 176.117 -0.161 0.000 1.001 40 I CA -0.200 61.024 61.300 -0.127 0.000 1.193 40 I CB 1.478 39.414 38.000 -0.107 0.000 1.345 40 I HN 0.784 nan 8.210 nan 0.000 0.461 41 G N 4.735 113.452 108.800 -0.138 0.000 2.590 41 G HA2 0.429 4.391 3.960 0.003 0.000 0.310 41 G HA3 0.429 4.391 3.960 0.003 0.000 0.310 41 G C 0.568 175.410 174.900 -0.096 0.000 1.347 41 G CA -0.774 44.244 45.100 -0.136 0.000 0.963 41 G HN 0.796 nan 8.290 nan 0.000 0.494 42 R N 1.042 121.487 120.500 -0.092 0.000 2.235 42 R HA 0.069 4.411 4.340 0.003 0.000 0.213 42 R C 0.242 176.520 176.300 -0.036 0.000 1.059 42 R CA 0.487 56.551 56.100 -0.061 0.000 0.997 42 R CB 0.203 30.468 30.300 -0.059 0.000 0.884 42 R HN 0.491 nan 8.270 nan 0.000 0.462 43 E N 1.781 121.966 120.200 -0.025 0.000 2.313 43 E HA 0.098 4.450 4.350 0.003 0.000 0.272 43 E C -1.768 174.833 176.600 0.001 0.000 1.038 43 E CA -2.384 54.021 56.400 0.008 0.000 0.863 43 E CB 1.281 31.024 29.700 0.071 0.000 1.060 43 E HN -0.003 nan 8.360 nan 0.000 0.402 44 P HA -0.113 nan 4.420 nan 0.000 0.222 44 P C -0.144 177.148 177.300 -0.014 0.000 1.153 44 P CA 1.035 64.119 63.100 -0.026 0.000 0.798 44 P CB 0.273 31.943 31.700 -0.049 0.000 0.796 45 E N 1.723 121.925 120.200 0.003 0.000 2.283 45 E HA 0.223 4.575 4.350 0.003 0.000 0.267 45 E C 0.832 177.542 176.600 0.183 0.000 1.045 45 E CA -1.181 55.258 56.400 0.065 0.000 0.884 45 E CB 1.227 30.888 29.700 -0.065 0.000 1.106 45 E HN 0.160 nan 8.360 nan 0.000 0.408 46 I N -2.416 118.292 120.570 0.230 0.000 3.045 46 I HA 0.129 4.301 4.170 0.003 0.000 0.288 46 I C -2.092 174.168 176.117 0.239 0.000 1.238 46 I CA -1.922 59.478 61.300 0.166 0.000 1.396 46 I CB -0.535 37.602 38.000 0.227 0.000 1.355 46 I HN 0.150 nan 8.210 nan 0.000 0.601 47 P HA 0.004 nan 4.420 nan 0.000 0.260 47 P C -1.463 175.892 177.300 0.092 0.000 1.172 47 P CA 0.810 63.916 63.100 0.008 0.000 0.760 47 P CB -0.141 31.541 31.700 -0.030 0.000 0.773 48 Y N -0.443 119.801 120.300 -0.093 0.000 2.576 48 Y HA 0.590 5.142 4.550 0.003 0.000 0.346 48 Y C -0.203 175.565 175.900 -0.219 0.000 1.018 48 Y CA -1.674 56.331 58.100 -0.159 0.000 1.050 48 Y CB 1.199 39.609 38.460 -0.082 0.000 1.280 48 Y HN 0.219 nan 8.280 nan 0.000 0.474 49 E N 2.024 122.168 120.200 -0.094 0.000 2.354 49 E HA 0.234 4.586 4.350 0.003 0.000 0.269 49 E C 0.141 176.801 176.600 0.100 0.000 1.036 49 E CA -0.630 55.738 56.400 -0.052 0.000 0.876 49 E CB 0.865 30.647 29.700 0.136 0.000 1.009 49 E HN 0.567 nan 8.360 nan 0.000 0.416 50 R N 2.700 123.349 120.500 0.249 0.000 2.128 50 R HA 0.041 4.383 4.340 0.003 0.000 0.211 50 R C -1.002 175.361 176.300 0.105 0.000 1.067 50 R CA 0.346 56.532 56.100 0.143 0.000 1.010 50 R CB -1.769 28.588 30.300 0.096 0.000 0.922 50 R HN 0.399 nan 8.270 nan 0.000 0.457 51 P HA -0.058 nan 4.420 nan 0.000 0.217 51 P C -1.547 175.801 177.300 0.080 0.000 1.148 51 P CA 1.413 64.503 63.100 -0.017 0.000 0.828 51 P CB -0.919 30.761 31.700 -0.034 0.000 0.783 52 P HA -0.070 nan 4.420 nan 0.000 0.222 52 P C 1.297 178.726 177.300 0.214 0.000 1.147 52 P CA 0.975 64.187 63.100 0.186 0.000 0.790 52 P CB -0.539 31.284 31.700 0.206 0.000 0.780 53 L N -0.766 120.563 121.223 0.177 0.000 2.265 53 L HA -0.110 4.232 4.340 0.003 0.000 0.215 53 L C 1.673 178.638 176.870 0.158 0.000 1.117 53 L CA 1.748 56.705 54.840 0.195 0.000 0.782 53 L CB -0.813 41.337 42.059 0.152 0.000 0.914 53 L HN 0.138 nan 8.230 nan 0.000 0.441 54 S N -2.793 112.972 115.700 0.109 0.000 2.650 54 S HA 0.258 4.730 4.470 0.003 0.000 0.240 54 S C 0.640 175.281 174.600 0.070 0.000 1.007 54 S CA -0.678 57.568 58.200 0.076 0.000 0.984 54 S CB 0.515 63.741 63.200 0.043 0.000 0.910 54 S HN 0.307 nan 8.310 nan 0.000 0.509 55 K N 1.316 121.777 120.400 0.101 0.000 2.755 55 K HA 0.367 4.689 4.320 0.003 0.000 0.309 55 K C 0.635 177.306 176.600 0.119 0.000 0.972 55 K CA -0.204 56.138 56.287 0.093 0.000 1.092 55 K CB -0.088 32.470 32.500 0.096 0.000 3.486 55 K HN -0.020 nan 8.250 nan 0.000 1.168 56 E N 0.900 121.177 120.200 0.127 0.000 2.160 56 E HA -0.219 4.133 4.350 0.003 0.000 0.195 56 E C 1.791 178.475 176.600 0.140 0.000 0.991 56 E CA 1.445 57.913 56.400 0.113 0.000 0.810 56 E CB -0.354 29.409 29.700 0.104 0.000 0.742 56 E HN 0.367 nan 8.360 nan 0.000 0.466 57 Y N 0.712 121.061 120.300 0.081 0.000 2.163 57 Y HA -0.139 4.413 4.550 0.003 0.000 0.288 57 Y C 2.064 178.021 175.900 0.095 0.000 1.136 57 Y CA 1.125 59.278 58.100 0.088 0.000 1.147 57 Y CB -0.256 38.267 38.460 0.105 0.000 0.987 57 Y HN 0.106 nan 8.280 nan 0.000 0.509 58 L N 0.554 121.882 121.223 0.175 0.000 2.131 58 L HA -0.067 4.275 4.340 0.003 0.000 0.210 58 L C 2.096 179.058 176.870 0.154 0.000 1.092 58 L CA 2.074 56.983 54.840 0.115 0.000 0.759 58 L CB -1.095 41.050 42.059 0.142 0.000 0.903 58 L HN 0.295 nan 8.230 nan 0.000 0.435 59 A N -0.932 121.955 122.820 0.112 0.000 2.278 59 A HA 0.125 4.447 4.320 0.003 0.000 0.212 59 A C 0.746 178.308 177.584 -0.036 0.000 1.213 59 A CA -0.130 51.945 52.037 0.064 0.000 0.840 59 A CB -0.417 18.599 19.000 0.027 0.000 0.866 59 A HN 0.488 nan 8.150 nan 0.000 0.489 60 R N -0.568 119.896 120.500 -0.060 0.000 3.336 60 R HA -0.204 4.138 4.340 0.003 0.000 0.260 60 R C -0.357 175.907 176.300 -0.060 0.000 1.032 60 R CA 1.225 57.264 56.100 -0.102 0.000 0.693 60 R CB -2.424 27.824 30.300 -0.085 0.000 1.134 60 R HN 0.757 nan 8.270 nan 0.000 0.433 61 E N 0.063 120.248 120.200 -0.024 0.000 2.490 61 E HA 0.154 4.506 4.350 0.003 0.000 0.209 61 E C -0.000 176.615 176.600 0.026 0.000 0.971 61 E CA 0.160 56.560 56.400 -0.001 0.000 0.988 61 E CB 0.549 30.254 29.700 0.009 0.000 1.029 61 E HN 0.172 nan 8.360 nan 0.000 0.496 62 K N 1.298 121.730 120.400 0.053 0.000 2.464 62 K HA 0.258 4.580 4.320 0.003 0.000 0.253 62 K C -0.135 176.552 176.600 0.144 0.000 0.933 62 K CA -0.405 55.943 56.287 0.101 0.000 0.801 62 K CB 2.112 34.700 32.500 0.148 0.000 1.271 62 K HN 0.012 nan 8.250 nan 0.000 0.430 63 T N -1.647 112.990 114.554 0.139 0.000 2.770 63 T HA 0.189 4.541 4.350 0.003 0.000 0.281 63 T C 1.270 176.165 174.700 0.325 0.000 0.981 63 T CA -0.495 61.725 62.100 0.200 0.000 0.955 63 T CB 0.301 69.249 68.868 0.133 0.000 1.060 63 T HN 0.528 nan 8.240 nan 0.000 0.531 64 F N 0.287 120.376 119.950 0.231 0.000 2.186 64 F HA 0.006 4.535 4.527 0.004 0.000 0.299 64 F C 2.596 178.426 175.800 0.050 0.000 1.090 64 F CA 1.651 59.717 58.000 0.110 0.000 1.307 64 F CB -0.153 38.867 39.000 0.033 0.000 1.019 64 F HN 0.843 nan 8.300 nan 0.000 0.489 65 E N 0.169 120.344 120.200 -0.042 0.000 2.118 65 E HA -0.218 4.134 4.350 0.003 0.000 0.195 65 E C 1.686 178.197 176.600 -0.150 0.000 0.992 65 E CA 0.824 57.147 56.400 -0.129 0.000 0.804 65 E CB 0.014 29.719 29.700 0.007 0.000 0.741 65 E HN 0.248 nan 8.360 nan 0.000 0.458 66 R N 0.372 120.831 120.500 -0.069 0.000 2.313 66 R HA 0.034 4.376 4.340 0.003 0.000 0.199 66 R C 1.894 178.162 176.300 -0.054 0.000 0.958 66 R CA 0.337 56.410 56.100 -0.044 0.000 1.047 66 R CB -0.279 30.026 30.300 0.009 0.000 0.955 66 R HN 0.474 nan 8.270 nan 0.000 0.481 67 I N -4.187 116.307 120.570 -0.126 0.000 4.082 67 I HA 0.259 4.431 4.170 0.003 0.000 0.337 67 I C 0.081 176.094 176.117 -0.173 0.000 1.352 67 I CA -0.501 60.739 61.300 -0.099 0.000 1.097 67 I CB 0.263 38.247 38.000 -0.027 0.000 1.048 67 I HN -0.274 nan 8.210 nan 0.000 0.393 68 C N 1.773 120.887 119.300 -0.310 0.000 2.653 68 C HA 0.238 4.700 4.460 0.003 0.000 0.421 68 C C 2.176 177.093 174.990 -0.122 0.000 1.334 68 C CA -0.120 58.749 59.018 -0.248 0.000 1.885 68 C CB 0.325 27.892 27.740 -0.288 0.000 2.645 68 C HN 0.542 nan 8.230 nan 0.000 0.601 69 I N 1.688 122.221 120.570 -0.061 0.000 2.226 69 I HA -0.091 4.081 4.170 0.003 0.000 0.245 69 I C 1.323 177.335 176.117 -0.175 0.000 1.100 69 I CA 1.553 62.809 61.300 -0.074 0.000 1.374 69 I CB -0.145 37.839 38.000 -0.027 0.000 1.057 69 I HN 0.594 nan 8.210 nan 0.000 0.413 70 R N -0.322 120.079 120.500 -0.166 0.000 2.740 70 R HA 0.430 4.772 4.340 0.003 0.000 0.273 70 R C -2.644 173.520 176.300 -0.226 0.000 0.998 70 R CA -2.066 53.748 56.100 -0.478 0.000 0.900 70 R CB 1.065 30.596 30.300 -1.281 0.000 1.223 70 R HN -0.233 nan 8.270 nan 0.000 0.466 71 P HA 0.138 nan 4.420 nan 0.000 0.272 71 P C 0.352 177.670 177.300 0.031 0.000 1.230 71 P CA -0.068 63.002 63.100 -0.050 0.000 0.788 71 P CB 0.582 32.256 31.700 -0.043 0.000 0.949 72 A N 1.607 124.512 122.820 0.141 0.000 1.903 72 A HA -0.313 4.009 4.320 0.003 0.000 0.219 72 A C 2.197 179.897 177.584 0.193 0.000 1.191 72 A CA 2.309 54.490 52.037 0.241 0.000 0.638 72 A CB -1.508 17.602 19.000 0.183 0.000 0.823 72 A HN 0.569 nan 8.150 nan 0.000 0.451 73 Q N -1.229 118.632 119.800 0.101 0.000 2.170 73 Q HA -0.155 4.187 4.340 0.003 0.000 0.203 73 Q C 1.654 177.673 176.000 0.032 0.000 0.976 73 Q CA 1.965 57.807 55.803 0.066 0.000 0.858 73 Q CB -0.659 28.102 28.738 0.039 0.000 0.907 73 Q HN 0.664 nan 8.270 nan 0.000 0.433 74 F N -0.953 118.884 119.950 -0.188 0.000 2.091 74 F HA -0.245 4.283 4.527 0.003 0.000 0.299 74 F C 1.280 176.924 175.800 -0.261 0.000 1.103 74 F CA 2.046 59.851 58.000 -0.326 0.000 1.228 74 F CB -0.430 38.214 39.000 -0.594 0.000 0.984 74 F HN 0.199 nan 8.300 nan 0.000 0.477 75 W N 0.683 122.071 121.300 0.147 0.000 2.358 75 W HA -0.121 4.542 4.660 0.006 0.000 0.303 75 W C 2.521 179.006 176.519 -0.057 0.000 1.208 75 W CA 0.894 58.266 57.345 0.045 0.000 1.274 75 W CB -0.623 28.909 29.460 0.120 0.000 1.138 75 W HN -0.019 nan 8.180 nan 0.000 0.515 76 E N 0.855 121.156 120.200 0.167 0.000 2.049 76 E HA -0.231 4.121 4.350 0.003 0.000 0.198 76 E C 1.596 178.180 176.600 -0.027 0.000 1.007 76 E CA 1.927 58.366 56.400 0.065 0.000 0.809 76 E CB -0.395 29.339 29.700 0.057 0.000 0.749 76 E HN 0.291 nan 8.360 nan 0.000 0.450 77 D N 0.302 120.632 120.400 -0.116 0.000 2.144 77 D HA -0.126 4.516 4.640 0.003 0.000 0.199 77 D C 1.541 177.707 176.300 -0.224 0.000 0.984 77 D CA 1.102 54.995 54.000 -0.179 0.000 0.834 77 D CB -0.114 40.542 40.800 -0.240 0.000 0.955 77 D HN -0.042 nan 8.370 nan 0.000 0.465 78 K N -0.205 119.993 120.400 -0.336 0.000 2.417 78 K HA 0.383 4.705 4.320 0.003 0.000 0.196 78 K C 0.222 176.786 176.600 -0.059 0.000 1.023 78 K CA 0.337 56.461 56.287 -0.273 0.000 1.122 78 K CB 0.093 32.291 32.500 -0.503 0.000 0.850 78 K HN 0.068 nan 8.250 nan 0.000 0.521 79 A N -0.313 122.496 122.820 -0.017 0.000 2.791 79 A HA -0.152 4.170 4.320 0.003 0.000 0.292 79 A C -0.014 177.619 177.584 0.083 0.000 1.487 79 A CA 0.664 52.722 52.037 0.036 0.000 0.760 79 A CB -2.250 16.765 19.000 0.024 0.000 1.031 79 A HN -0.004 nan 8.150 nan 0.000 0.503 80 V N 1.152 121.149 119.914 0.137 0.000 2.334 80 V HA 0.256 4.378 4.120 0.003 0.000 0.267 80 V C 0.644 176.790 176.094 0.086 0.000 1.040 80 V CA -0.215 62.178 62.300 0.155 0.000 0.866 80 V CB 1.042 33.061 31.823 0.327 0.000 1.019 80 V HN 0.577 nan 8.190 nan 0.000 0.468 81 E N 4.806 125.028 120.200 0.038 0.000 2.331 81 E HA 0.560 4.912 4.350 0.003 0.000 0.272 81 E C -0.621 175.949 176.600 -0.049 0.000 1.036 81 E CA -0.281 56.124 56.400 0.008 0.000 0.864 81 E CB 1.469 31.180 29.700 0.019 0.000 1.035 81 E HN 0.544 nan 8.360 nan 0.000 0.408 82 M N 2.161 121.724 119.600 -0.062 0.000 2.263 82 M HA 0.268 4.750 4.480 0.003 0.000 0.295 82 M C -0.923 175.335 176.300 -0.070 0.000 1.028 82 M CA -0.410 54.825 55.300 -0.108 0.000 0.921 82 M CB 1.943 34.433 32.600 -0.183 0.000 1.601 82 M HN 0.105 nan 8.290 nan 0.000 0.440 83 K N 4.570 124.927 120.400 -0.071 0.000 2.357 83 K HA 0.534 4.856 4.320 0.003 0.000 0.251 83 K C -1.140 175.422 176.600 -0.064 0.000 1.069 83 K CA -0.212 56.044 56.287 -0.052 0.000 0.994 83 K CB 0.654 33.131 32.500 -0.038 0.000 1.411 83 K HN 0.597 nan 8.250 nan 0.000 0.450 84 L N 0.372 121.562 121.223 -0.056 0.000 2.421 84 L HA 0.358 4.700 4.340 0.003 0.000 0.263 84 L C 1.318 178.165 176.870 -0.039 0.000 1.122 84 L CA -0.277 54.531 54.840 -0.054 0.000 0.804 84 L CB 0.925 42.958 42.059 -0.043 0.000 1.150 84 L HN 0.851 nan 8.230 nan 0.000 0.457 85 G N 1.353 110.130 108.800 -0.038 0.000 2.249 85 G HA2 -0.103 3.859 3.960 0.003 0.000 0.273 85 G HA3 -0.103 3.859 3.960 0.003 0.000 0.273 85 G C -0.024 174.857 174.900 -0.031 0.000 1.036 85 G CA 0.309 45.390 45.100 -0.031 0.000 0.824 85 G HN 1.008 nan 8.290 nan 0.000 0.504 86 A N -0.309 122.486 122.820 -0.042 0.000 2.422 86 A HA 0.843 5.165 4.320 0.003 0.000 0.302 86 A C -0.257 177.294 177.584 -0.055 0.000 1.041 86 A CA 0.047 52.060 52.037 -0.039 0.000 0.708 86 A CB 1.312 20.292 19.000 -0.034 0.000 1.257 86 A HN 1.073 nan 8.150 nan 0.000 0.414 87 E N 1.192 121.365 120.200 -0.045 0.000 2.288 87 E HA 0.633 4.985 4.350 0.003 0.000 0.268 87 E C -1.327 175.249 176.600 -0.040 0.000 0.885 87 E CA -0.940 55.423 56.400 -0.063 0.000 0.767 87 E CB 1.895 31.563 29.700 -0.052 0.000 1.220 87 E HN 0.253 nan 8.360 nan 0.000 0.427 88 V N 3.344 123.217 119.914 -0.067 0.000 2.508 88 V HA -0.009 4.113 4.120 0.003 0.000 0.281 88 V C 0.672 176.814 176.094 0.080 0.000 1.041 88 V CA -0.131 62.174 62.300 0.009 0.000 1.016 88 V CB 1.176 32.991 31.823 -0.014 0.000 0.984 88 V HN 0.769 nan 8.190 nan 0.000 0.478 89 V N 4.010 123.984 119.914 0.100 0.000 3.263 89 V HA 0.182 4.304 4.120 0.003 0.000 0.248 89 V C 0.754 176.923 176.094 0.126 0.000 1.145 89 V CA 1.384 63.743 62.300 0.098 0.000 1.107 89 V CB 0.980 32.838 31.823 0.058 0.000 0.797 89 V HN 1.039 nan 8.190 nan 0.000 0.467 90 S N -0.262 115.524 115.700 0.143 0.000 2.636 90 S HA 0.676 5.148 4.470 0.003 0.000 0.266 90 S C -1.253 173.429 174.600 0.138 0.000 1.147 90 S CA -0.638 57.634 58.200 0.119 0.000 0.815 90 S CB 1.948 65.188 63.200 0.067 0.000 1.119 90 S HN 0.484 nan 8.310 nan 0.000 0.470 91 L N -1.046 120.229 121.223 0.087 0.000 2.465 91 L HA 0.873 5.215 4.340 0.003 0.000 0.257 91 L C -1.958 174.946 176.870 0.056 0.000 0.988 91 L CA -0.667 54.238 54.840 0.108 0.000 0.827 91 L CB 2.216 44.354 42.059 0.132 0.000 1.397 91 L HN 0.709 nan 8.230 nan 0.000 0.410 92 D N 3.219 123.663 120.400 0.073 0.000 2.460 92 D HA 0.392 5.034 4.640 0.003 0.000 0.232 92 D C -1.922 174.389 176.300 0.018 0.000 1.079 92 D CA -2.149 51.869 54.000 0.030 0.000 0.864 92 D CB 1.994 42.807 40.800 0.022 0.000 1.048 92 D HN 0.429 nan 8.370 nan 0.000 0.523 93 P HA -0.083 nan 4.420 nan 0.000 0.220 93 P C 1.032 178.263 177.300 -0.114 0.000 1.148 93 P CA 0.605 63.669 63.100 -0.061 0.000 0.803 93 P CB 0.429 32.087 31.700 -0.069 0.000 0.782 94 A N 1.125 123.936 122.820 -0.016 0.000 1.840 94 A HA 0.058 4.380 4.320 0.003 0.000 0.214 94 A C 2.428 180.089 177.584 0.128 0.000 1.198 94 A CA 1.872 53.942 52.037 0.055 0.000 0.608 94 A CB -1.566 17.452 19.000 0.030 0.000 0.839 94 A HN 0.203 nan 8.150 nan 0.000 0.443 95 A N -1.814 121.037 122.820 0.053 0.000 2.239 95 A HA 0.156 4.478 4.320 0.003 0.000 0.209 95 A C 0.691 178.283 177.584 0.013 0.000 1.171 95 A CA 0.973 53.030 52.037 0.032 0.000 0.768 95 A CB -0.810 18.191 19.000 0.002 0.000 0.790 95 A HN 0.729 nan 8.150 nan 0.000 0.478 96 H N -0.889 118.025 119.070 -0.260 0.000 2.672 96 H HA -0.114 4.443 4.556 0.003 0.000 0.325 96 H C 0.077 174.878 175.328 -0.877 0.000 1.158 96 H CA 1.097 56.704 56.048 -0.735 0.000 1.134 96 H CB -1.938 27.431 29.762 -0.654 0.000 1.553 96 H HN 0.333 nan 8.280 nan 0.000 0.419 97 T N -0.239 114.146 114.554 -0.282 0.000 2.900 97 T HA 0.674 5.026 4.350 0.003 0.000 0.295 97 T C -0.628 174.200 174.700 0.214 0.000 1.044 97 T CA -0.595 61.489 62.100 -0.026 0.000 0.995 97 T CB 1.845 70.709 68.868 -0.006 0.000 1.072 97 T HN 0.071 nan 8.240 nan 0.000 0.473 98 V N 3.974 124.033 119.914 0.241 0.000 2.540 98 V HA 0.585 4.707 4.120 0.003 0.000 0.302 98 V C -0.312 175.869 176.094 0.144 0.000 1.035 98 V CA -0.805 61.639 62.300 0.240 0.000 0.873 98 V CB 1.975 33.967 31.823 0.281 0.000 0.992 98 V HN 0.787 nan 8.190 nan 0.000 0.428 99 K N 4.332 124.807 120.400 0.124 0.000 2.206 99 K HA 0.663 4.985 4.320 0.003 0.000 0.264 99 K C -1.219 175.426 176.600 0.075 0.000 0.967 99 K CA -0.581 55.756 56.287 0.084 0.000 0.844 99 K CB 1.424 33.965 32.500 0.068 0.000 1.099 99 K HN 0.437 nan 8.250 nan 0.000 0.441 100 L N 2.360 123.614 121.223 0.052 0.000 2.448 100 L HA 0.375 4.717 4.340 0.003 0.000 0.258 100 L C 1.613 178.499 176.870 0.027 0.000 1.104 100 L CA 0.413 55.274 54.840 0.035 0.000 0.800 100 L CB 1.191 43.263 42.059 0.022 0.000 1.241 100 L HN 0.935 nan 8.230 nan 0.000 0.472 101 G N -0.621 108.188 108.800 0.016 0.000 2.509 101 G HA2 -0.187 3.775 3.960 0.003 0.000 0.218 101 G HA3 -0.187 3.775 3.960 0.003 0.000 0.218 101 G C 0.662 175.569 174.900 0.011 0.000 1.124 101 G CA 0.863 45.971 45.100 0.013 0.000 0.776 101 G HN 0.793 nan 8.290 nan 0.000 0.547 102 D N -1.486 118.920 120.400 0.010 0.000 2.340 102 D HA 0.262 4.904 4.640 0.003 0.000 0.217 102 D C 1.645 177.952 176.300 0.013 0.000 1.081 102 D CA 0.472 54.478 54.000 0.009 0.000 0.842 102 D CB -0.260 40.544 40.800 0.006 0.000 0.934 102 D HN 0.380 nan 8.370 nan 0.000 0.511 103 G N 0.414 109.224 108.800 0.017 0.000 2.268 103 G HA2 -0.302 3.660 3.960 0.003 0.000 0.240 103 G HA3 -0.302 3.660 3.960 0.003 0.000 0.240 103 G C 0.515 175.428 174.900 0.022 0.000 1.010 103 G CA 0.303 45.415 45.100 0.019 0.000 0.618 103 G HN 0.851 nan 8.290 nan 0.000 0.516 104 S N 0.311 116.024 115.700 0.021 0.000 2.579 104 S HA 0.687 5.159 4.470 0.003 0.000 0.275 104 S C 0.248 174.868 174.600 0.033 0.000 1.345 104 S CA 0.677 58.891 58.200 0.024 0.000 1.031 104 S CB 1.930 65.142 63.200 0.020 0.000 0.892 104 S HN 1.996 nan 8.310 nan 0.000 0.529 105 A N 2.198 125.039 122.820 0.035 0.000 2.343 105 A HA 0.756 5.078 4.320 0.003 0.000 0.316 105 A C -0.457 177.158 177.584 0.052 0.000 1.104 105 A CA -0.965 51.100 52.037 0.047 0.000 0.768 105 A CB 0.514 19.538 19.000 0.040 0.000 1.213 105 A HN 0.848 nan 8.150 nan 0.000 0.456 106 I N 1.316 121.931 120.570 0.075 0.000 2.474 106 I HA 0.368 4.540 4.170 0.003 0.000 0.294 106 I C 0.182 176.366 176.117 0.112 0.000 1.005 106 I CA -0.395 60.957 61.300 0.086 0.000 1.113 106 I CB 2.023 40.078 38.000 0.092 0.000 1.289 106 I HN 0.811 nan 8.210 nan 0.000 0.436 107 E N 5.718 125.967 120.200 0.082 0.000 2.216 107 E HA 0.378 4.730 4.350 0.003 0.000 0.279 107 E C -1.734 174.933 176.600 0.112 0.000 0.997 107 E CA -0.571 55.850 56.400 0.035 0.000 0.817 107 E CB 1.307 31.004 29.700 -0.005 0.000 1.096 107 E HN 0.478 nan 8.360 nan 0.000 0.393 108 Y N 1.202 121.576 120.300 0.124 0.000 2.524 108 Y HA 0.696 5.247 4.550 0.002 0.000 0.344 108 Y C 0.645 176.657 175.900 0.186 0.000 1.012 108 Y CA -0.755 57.428 58.100 0.138 0.000 1.068 108 Y CB 1.332 39.871 38.460 0.131 0.000 1.249 108 Y HN 0.417 nan 8.280 nan 0.000 0.468 109 G N 1.438 110.465 108.800 0.380 0.000 2.447 109 G HA2 0.142 4.104 3.960 0.003 0.000 0.211 109 G HA3 0.142 4.104 3.960 0.003 0.000 0.211 109 G C 0.037 175.240 174.900 0.505 0.000 1.184 109 G CA 0.009 45.306 45.100 0.329 0.000 0.813 109 G HN 0.346 nan 8.290 nan 0.000 0.540 110 K N -0.445 120.218 120.400 0.439 0.000 2.385 110 K HA 0.640 4.962 4.320 0.003 0.000 0.248 110 K C -1.777 174.899 176.600 0.127 0.000 0.955 110 K CA -0.804 55.692 56.287 0.349 0.000 0.816 110 K CB 2.638 35.298 32.500 0.267 0.000 1.250 110 K HN 0.116 nan 8.250 nan 0.000 0.434 111 L N 2.196 123.377 121.223 -0.070 0.000 2.362 111 L HA 0.558 4.900 4.340 0.003 0.000 0.275 111 L C -1.242 175.640 176.870 0.020 0.000 0.998 111 L CA -0.466 54.202 54.840 -0.286 0.000 0.820 111 L CB 1.316 42.856 42.059 -0.865 0.000 1.270 111 L HN 0.557 nan 8.230 nan 0.000 0.415 112 I N 4.532 125.104 120.570 0.004 0.000 2.382 112 I HA 0.212 4.384 4.170 0.003 0.000 0.286 112 I C -1.091 175.075 176.117 0.080 0.000 1.002 112 I CA -0.350 60.986 61.300 0.061 0.000 1.135 112 I CB 1.342 39.308 38.000 -0.057 0.000 1.288 112 I HN 0.592 nan 8.210 nan 0.000 0.448 113 W N 7.374 128.640 121.300 -0.058 0.000 2.357 113 W HA 0.561 5.221 4.660 0.000 0.000 0.317 113 W C -0.455 176.032 176.519 -0.053 0.000 1.101 113 W CA -0.559 56.748 57.345 -0.063 0.000 1.380 113 W CB 1.580 31.005 29.460 -0.058 0.000 1.266 113 W HN 0.527 nan 8.180 nan 0.000 0.419 114 A N 3.775 126.471 122.820 -0.206 0.000 3.129 114 A HA 0.184 4.506 4.320 0.003 0.000 0.282 114 A C 0.883 178.334 177.584 -0.222 0.000 0.948 114 A CA -0.152 51.797 52.037 -0.147 0.000 1.027 114 A CB -0.367 18.556 19.000 -0.128 0.000 1.123 114 A HN 0.493 nan 8.150 nan 0.000 0.485 115 T N -3.576 110.818 114.554 -0.268 0.000 3.081 115 T HA 0.427 4.779 4.350 0.003 0.000 0.250 115 T C 1.457 176.094 174.700 -0.105 0.000 1.100 115 T CA 1.117 63.055 62.100 -0.270 0.000 1.038 115 T CB -0.127 68.520 68.868 -0.369 0.000 0.962 115 T HN 1.897 nan 8.240 nan 0.000 0.516 116 G N 0.974 109.747 108.800 -0.046 0.000 2.583 116 G HA2 0.176 4.138 3.960 0.003 0.000 0.292 116 G HA3 0.176 4.138 3.960 0.003 0.000 0.292 116 G C 0.162 175.068 174.900 0.009 0.000 1.203 116 G CA -0.083 45.007 45.100 -0.017 0.000 0.987 116 G HN 1.429 nan 8.290 nan 0.000 0.554 117 G N -1.482 107.318 108.800 0.001 0.000 2.695 117 G HA2 0.598 4.560 3.960 0.003 0.000 0.290 117 G HA3 0.598 4.560 3.960 0.003 0.000 0.290 117 G C -2.068 172.836 174.900 0.006 0.000 1.410 117 G CA 0.350 45.457 45.100 0.011 0.000 0.844 117 G HN 0.697 nan 8.290 nan 0.000 0.478 118 D N 0.361 120.767 120.400 0.010 0.000 2.527 118 D HA 0.563 5.205 4.640 0.003 0.000 0.233 118 D C -2.241 174.063 176.300 0.006 0.000 1.063 118 D CA -0.917 53.088 54.000 0.008 0.000 0.880 118 D CB 2.738 43.544 40.800 0.009 0.000 1.457 118 D HN 0.158 nan 8.370 nan 0.000 0.475 119 P HA 0.153 nan 4.420 nan 0.000 0.274 119 P C -0.109 177.190 177.300 -0.002 0.000 1.237 119 P CA -0.550 62.551 63.100 0.002 0.000 0.793 119 P CB 1.028 32.731 31.700 0.004 0.000 0.977 120 R N 1.781 122.278 120.500 -0.005 0.000 2.590 120 R HA 0.146 4.488 4.340 0.003 0.000 0.274 120 R C 0.724 177.018 176.300 -0.010 0.000 1.061 120 R CA -0.047 56.048 56.100 -0.008 0.000 1.081 120 R CB 0.277 30.571 30.300 -0.010 0.000 0.984 120 R HN 0.505 nan 8.270 nan 0.000 0.448 121 R N 3.569 124.063 120.500 -0.010 0.000 2.202 121 R HA 0.229 4.571 4.340 0.003 0.000 0.334 121 R C 0.450 176.741 176.300 -0.014 0.000 1.036 121 R CA -0.241 55.850 56.100 -0.014 0.000 0.878 121 R CB 0.533 30.826 30.300 -0.012 0.000 1.067 121 R HN 0.512 nan 8.270 nan 0.000 0.457 122 L N 1.255 122.467 121.223 -0.018 0.000 3.122 122 L HA 0.193 4.535 4.340 0.003 0.000 0.274 122 L C -0.094 176.765 176.870 -0.018 0.000 1.222 122 L CA -0.134 54.696 54.840 -0.017 0.000 1.028 122 L CB 0.984 43.033 42.059 -0.017 0.000 1.386 122 L HN 0.484 nan 8.230 nan 0.000 0.578 123 S N -0.533 115.155 115.700 -0.019 0.000 2.549 123 S HA -0.004 4.468 4.470 0.003 0.000 0.283 123 S C 1.353 175.944 174.600 -0.015 0.000 1.320 123 S CA -0.613 57.576 58.200 -0.020 0.000 1.058 123 S CB 1.373 64.560 63.200 -0.022 0.000 0.882 123 S HN 0.302 nan 8.310 nan 0.000 0.498 124 c N 2.015 120.607 118.600 -0.014 0.000 2.413 124 c HA -0.068 4.504 4.570 0.003 0.000 0.277 124 c C 2.218 176.302 174.090 -0.010 0.000 1.265 124 c CA 0.885 57.207 56.329 -0.011 0.000 1.752 124 c CB -1.267 41.237 42.510 -0.010 0.000 1.998 124 c HN 0.859 nan 8.230 nan 0.000 0.489 125 V N -1.716 118.191 119.914 -0.011 0.000 3.319 125 V HA 0.602 4.724 4.120 0.003 0.000 0.317 125 V C 1.259 177.347 176.094 -0.011 0.000 1.411 125 V CA 0.801 63.095 62.300 -0.010 0.000 1.112 125 V CB -0.682 31.136 31.823 -0.010 0.000 1.031 125 V HN 0.612 nan 8.190 nan 0.000 0.448 126 G N 0.307 109.100 108.800 -0.012 0.000 2.234 126 G HA2 -0.180 3.782 3.960 0.003 0.000 0.260 126 G HA3 -0.180 3.782 3.960 0.003 0.000 0.260 126 G C 0.565 175.457 174.900 -0.014 0.000 0.987 126 G CA 0.337 45.430 45.100 -0.012 0.000 0.625 126 G HN 1.705 nan 8.290 nan 0.000 0.532 127 A N -0.033 122.778 122.820 -0.015 0.000 2.287 127 A HA 0.590 4.912 4.320 0.003 0.000 0.273 127 A C 0.145 177.715 177.584 -0.023 0.000 1.091 127 A CA 0.169 52.196 52.037 -0.017 0.000 0.817 127 A CB 0.331 19.321 19.000 -0.016 0.000 1.069 127 A HN 0.241 nan 8.150 nan 0.000 0.492 128 D N -0.226 120.159 120.400 -0.025 0.000 2.414 128 D HA 0.449 5.091 4.640 0.003 0.000 0.242 128 D C -0.776 175.499 176.300 -0.041 0.000 1.129 128 D CA 0.609 54.588 54.000 -0.034 0.000 0.885 128 D CB 0.623 41.404 40.800 -0.031 0.000 1.198 128 D HN 0.154 nan 8.370 nan 0.000 0.437 129 L N 1.714 122.902 121.223 -0.059 0.000 2.362 129 L HA 0.587 4.929 4.340 0.003 0.000 0.275 129 L C -0.158 176.649 176.870 -0.105 0.000 0.998 129 L CA -0.985 53.815 54.840 -0.067 0.000 0.820 129 L CB 1.570 43.592 42.059 -0.061 0.000 1.270 129 L HN 0.423 nan 8.230 nan 0.000 0.415 130 A N 1.956 124.725 122.820 -0.086 0.000 2.316 130 A HA 0.701 5.023 4.320 0.003 0.000 0.284 130 A C 0.439 177.971 177.584 -0.088 0.000 1.115 130 A CA 0.042 52.016 52.037 -0.106 0.000 0.812 130 A CB 0.564 19.538 19.000 -0.044 0.000 1.064 130 A HN 0.813 nan 8.150 nan 0.000 0.489 131 G N 1.002 109.748 108.800 -0.091 0.000 2.922 131 G HA2 0.498 4.460 3.960 0.003 0.000 0.335 131 G HA3 0.498 4.460 3.960 0.003 0.000 0.335 131 G C -0.657 173.977 174.900 -0.442 0.000 1.016 131 G CA -0.128 44.837 45.100 -0.225 0.000 1.306 131 G HN 0.609 nan 8.290 nan 0.000 0.465 132 V N 4.473 124.063 119.914 -0.540 0.000 2.394 132 V HA 0.415 4.537 4.120 0.003 0.000 0.282 132 V C -0.426 175.328 176.094 -0.568 0.000 1.031 132 V CA -0.681 61.393 62.300 -0.377 0.000 0.881 132 V CB 0.959 32.672 31.823 -0.183 0.000 0.982 132 V HN 0.630 nan 8.190 nan 0.000 0.451 133 H N 3.575 122.640 119.070 -0.009 0.000 2.667 133 H HA 0.489 5.047 4.556 0.003 0.000 0.353 133 H C 0.400 175.729 175.328 0.001 0.000 1.072 133 H CA -0.403 55.643 56.048 -0.004 0.000 1.214 133 H CB 2.336 32.094 29.762 -0.007 0.000 1.600 133 H HN 0.616 nan 8.280 nan 0.000 0.527 134 A N 2.720 125.608 122.820 0.112 0.000 2.308 134 A HA 0.138 4.460 4.320 0.003 0.000 0.217 134 A C 1.075 178.708 177.584 0.081 0.000 1.216 134 A CA 0.444 52.525 52.037 0.072 0.000 0.864 134 A CB -0.416 18.610 19.000 0.043 0.000 0.902 134 A HN 0.767 nan 8.150 nan 0.000 0.499 135 V N -2.173 117.807 119.914 0.110 0.000 5.359 135 V HA -0.337 3.785 4.120 0.003 0.000 0.278 135 V C 0.632 176.778 176.094 0.087 0.000 0.622 135 V CA 1.852 64.207 62.300 0.090 0.000 0.649 135 V CB -3.009 28.855 31.823 0.068 0.000 0.408 135 V HN 0.712 nan 8.190 nan 0.000 0.918 136 R N 0.224 120.775 120.500 0.085 0.000 2.365 136 R HA 0.254 4.596 4.340 0.003 0.000 0.223 136 R C 0.941 177.305 176.300 0.106 0.000 0.899 136 R CA 0.747 56.892 56.100 0.075 0.000 1.059 136 R CB 0.751 31.081 30.300 0.049 0.000 1.086 136 R HN 0.945 nan 8.270 nan 0.000 0.522 137 T N -2.835 111.794 114.554 0.125 0.000 2.916 137 T HA 0.265 4.617 4.350 0.003 0.000 0.292 137 T C 0.694 175.465 174.700 0.118 0.000 1.055 137 T CA -0.996 61.209 62.100 0.175 0.000 1.009 137 T CB 2.955 71.893 68.868 0.116 0.000 1.118 137 T HN -0.180 nan 8.240 nan 0.000 0.497 138 K N 0.524 120.934 120.400 0.018 0.000 2.063 138 K HA -0.192 4.130 4.320 0.003 0.000 0.208 138 K C 1.896 178.446 176.600 -0.083 0.000 1.048 138 K CA 1.863 58.010 56.287 -0.233 0.000 0.928 138 K CB -0.197 31.876 32.500 -0.711 0.000 0.713 138 K HN 0.804 nan 8.250 nan 0.000 0.442 139 E N 0.593 120.748 120.200 -0.076 0.000 2.049 139 E HA -0.238 4.114 4.350 0.003 0.000 0.198 139 E C 1.710 178.322 176.600 0.019 0.000 1.007 139 E CA 2.083 58.461 56.400 -0.037 0.000 0.809 139 E CB -0.118 29.566 29.700 -0.026 0.000 0.749 139 E HN 0.328 nan 8.360 nan 0.000 0.450 140 D N -0.655 119.778 120.400 0.054 0.000 2.117 140 D HA -0.127 4.515 4.640 0.003 0.000 0.197 140 D C 1.791 178.110 176.300 0.032 0.000 0.987 140 D CA 1.508 55.571 54.000 0.105 0.000 0.829 140 D CB -0.146 40.739 40.800 0.141 0.000 0.961 140 D HN 0.229 nan 8.370 nan 0.000 0.460 141 A N 0.469 123.317 122.820 0.046 0.000 1.908 141 A HA -0.206 4.116 4.320 0.003 0.000 0.218 141 A C 1.953 179.541 177.584 0.007 0.000 1.181 141 A CA 1.964 54.027 52.037 0.044 0.000 0.627 141 A CB -0.689 18.444 19.000 0.222 0.000 0.818 141 A HN 0.222 nan 8.150 nan 0.000 0.445 142 D N -0.479 119.958 120.400 0.061 0.000 2.123 142 D HA -0.144 4.498 4.640 0.003 0.000 0.196 142 D C 2.214 178.489 176.300 -0.042 0.000 0.992 142 D CA 1.244 55.255 54.000 0.019 0.000 0.833 142 D CB -0.335 40.481 40.800 0.028 0.000 0.954 142 D HN 0.490 nan 8.370 nan 0.000 0.455 143 R N 0.342 120.820 120.500 -0.038 0.000 2.073 143 R HA -0.033 4.309 4.340 0.003 0.000 0.234 143 R C 2.551 178.771 176.300 -0.133 0.000 1.134 143 R CA 0.425 56.512 56.100 -0.022 0.000 0.952 143 R CB -0.566 29.799 30.300 0.108 0.000 0.850 143 R HN 0.194 nan 8.270 nan 0.000 0.433 144 L N 0.645 121.627 121.223 -0.401 0.000 2.013 144 L HA -0.263 4.079 4.340 0.003 0.000 0.212 144 L C 2.398 179.064 176.870 -0.340 0.000 1.073 144 L CA 1.657 56.160 54.840 -0.561 0.000 0.753 144 L CB -0.128 41.498 42.059 -0.722 0.000 0.890 144 L HN 0.302 nan 8.230 nan 0.000 0.432 145 M N -0.916 118.524 119.600 -0.267 0.000 2.080 145 M HA -0.228 4.254 4.480 0.003 0.000 0.260 145 M C 2.339 178.551 176.300 -0.147 0.000 1.068 145 M CA 2.131 57.294 55.300 -0.229 0.000 1.109 145 M CB -0.399 32.127 32.600 -0.123 0.000 1.342 145 M HN 0.396 nan 8.290 nan 0.000 0.405 146 A N -0.065 122.698 122.820 -0.095 0.000 1.908 146 A HA -0.211 4.111 4.320 0.003 0.000 0.218 146 A C 1.913 179.467 177.584 -0.050 0.000 1.181 146 A CA 1.999 54.005 52.037 -0.051 0.000 0.627 146 A CB -0.762 18.220 19.000 -0.030 0.000 0.818 146 A HN 0.560 nan 8.150 nan 0.000 0.445 147 E N -0.280 119.880 120.200 -0.067 0.000 2.106 147 E HA -0.114 4.238 4.350 0.003 0.000 0.192 147 E C 1.921 178.478 176.600 -0.072 0.000 0.984 147 E CA 1.021 57.393 56.400 -0.047 0.000 0.806 147 E CB -0.255 29.436 29.700 -0.016 0.000 0.750 147 E HN 0.629 nan 8.360 nan 0.000 0.458 148 L N 1.067 122.199 121.223 -0.152 0.000 2.027 148 L HA -0.209 4.133 4.340 0.003 0.000 0.206 148 L C 1.968 178.815 176.870 -0.038 0.000 1.074 148 L CA 1.066 55.801 54.840 -0.174 0.000 0.745 148 L CB -0.327 41.427 42.059 -0.510 0.000 0.898 148 L HN 0.077 nan 8.230 nan 0.000 0.433 149 D N 0.478 120.871 120.400 -0.012 0.000 2.116 149 D HA -0.211 4.431 4.640 0.003 0.000 0.193 149 D C 2.051 178.364 176.300 0.022 0.000 0.998 149 D CA 1.692 55.714 54.000 0.038 0.000 0.836 149 D CB -0.162 40.657 40.800 0.032 0.000 0.951 149 D HN 0.340 nan 8.370 nan 0.000 0.449 150 A N -0.605 122.217 122.820 0.004 0.000 2.239 150 A HA 0.353 4.675 4.320 0.003 0.000 0.209 150 A C 1.700 179.290 177.584 0.009 0.000 1.171 150 A CA 1.299 53.340 52.037 0.006 0.000 0.768 150 A CB -0.300 18.701 19.000 0.001 0.000 0.790 150 A HN 0.327 nan 8.150 nan 0.000 0.478 151 G N -2.447 106.360 108.800 0.011 0.000 2.148 151 G HA2 0.156 4.118 3.960 0.003 0.000 0.203 151 G HA3 0.156 4.118 3.960 0.003 0.000 0.203 151 G C 0.341 175.248 174.900 0.012 0.000 0.993 151 G CA 0.053 45.164 45.100 0.018 0.000 0.661 151 G HN 1.564 nan 8.290 nan 0.000 0.518 152 A N 0.334 123.154 122.820 -0.000 0.000 2.520 152 A HA 0.595 4.917 4.320 0.003 0.000 0.245 152 A C 1.174 178.760 177.584 0.003 0.000 1.072 152 A CA 1.314 53.350 52.037 -0.001 0.000 0.761 152 A CB 0.163 19.158 19.000 -0.009 0.000 1.004 152 A HN 1.193 nan 8.150 nan 0.000 0.499 153 K N 1.126 121.534 120.400 0.014 0.000 2.521 153 K HA 0.186 4.508 4.320 0.003 0.000 0.213 153 K C -0.410 176.207 176.600 0.030 0.000 1.223 153 K CA -0.311 55.992 56.287 0.026 0.000 1.013 153 K CB 0.568 33.087 32.500 0.032 0.000 1.017 153 K HN 0.457 nan 8.250 nan 0.000 0.591 154 N N 1.935 120.650 118.700 0.024 0.000 2.524 154 N HA 0.326 5.068 4.740 0.003 0.000 0.261 154 N C -1.511 174.015 175.510 0.026 0.000 0.998 154 N CA -0.272 52.794 53.050 0.027 0.000 0.915 154 N CB 1.970 40.471 38.487 0.023 0.000 1.187 154 N HN 0.285 nan 8.380 nan 0.000 0.507 155 A N 1.889 124.728 122.820 0.032 0.000 2.330 155 A HA 0.658 4.980 4.320 0.003 0.000 0.327 155 A C -0.306 177.297 177.584 0.033 0.000 1.155 155 A CA -0.569 51.487 52.037 0.032 0.000 0.803 155 A CB 1.050 20.069 19.000 0.032 0.000 1.208 155 A HN 0.333 nan 8.150 nan 0.000 0.477 156 V N 3.392 123.322 119.914 0.028 0.000 2.378 156 V HA 0.334 4.456 4.120 0.003 0.000 0.288 156 V C -0.325 175.781 176.094 0.020 0.000 1.016 156 V CA -0.495 61.819 62.300 0.023 0.000 0.840 156 V CB 1.488 33.319 31.823 0.015 0.000 0.994 156 V HN 0.646 nan 8.190 nan 0.000 0.431 157 V N 6.764 126.689 119.914 0.018 0.000 2.383 157 V HA 0.444 4.566 4.120 0.003 0.000 0.275 157 V C 0.041 176.134 176.094 -0.003 0.000 1.036 157 V CA -0.308 61.998 62.300 0.010 0.000 0.889 157 V CB 1.536 33.364 31.823 0.009 0.000 0.985 157 V HN 0.663 nan 8.190 nan 0.000 0.459 158 I N 4.889 125.455 120.570 -0.005 0.000 2.307 158 I HA 0.700 4.872 4.170 0.003 0.000 0.289 158 I C 0.687 176.790 176.117 -0.024 0.000 1.021 158 I CA 0.056 61.348 61.300 -0.014 0.000 1.224 158 I CB 1.130 39.123 38.000 -0.011 0.000 1.376 158 I HN 0.867 nan 8.210 nan 0.000 0.470 159 G N 3.633 112.412 108.800 -0.035 0.000 3.069 159 G HA2 0.016 3.978 3.960 0.003 0.000 0.686 159 G HA3 0.016 3.978 3.960 0.003 0.000 0.686 159 G C -0.012 174.844 174.900 -0.073 0.000 1.161 159 G CA -0.494 44.575 45.100 -0.052 0.000 0.804 159 G HN 0.941 nan 8.290 nan 0.000 0.608 160 G N 0.557 109.301 108.800 -0.094 0.000 3.820 160 G HA2 0.668 4.630 3.960 0.003 0.000 0.293 160 G HA3 0.668 4.630 3.960 0.003 0.000 0.293 160 G C 0.881 175.667 174.900 -0.190 0.000 1.152 160 G CA 0.975 45.997 45.100 -0.129 0.000 0.921 160 G HN 1.320 nan 8.290 nan 0.000 0.544 161 G N -0.791 107.897 108.800 -0.187 0.000 2.563 161 G HA2 0.347 4.309 3.960 0.003 0.000 0.283 161 G HA3 0.347 4.309 3.960 0.003 0.000 0.283 161 G C 0.630 175.385 174.900 -0.240 0.000 1.309 161 G CA -0.633 44.299 45.100 -0.280 0.000 1.022 161 G HN 0.238 nan 8.290 nan 0.000 0.501 162 Y N -0.513 119.733 120.300 -0.089 0.000 2.128 162 Y HA -0.185 4.367 4.550 0.003 0.000 0.284 162 Y C 2.831 178.703 175.900 -0.046 0.000 1.154 162 Y CA 1.193 59.256 58.100 -0.062 0.000 1.149 162 Y CB -0.207 38.274 38.460 0.036 0.000 0.976 162 Y HN 0.269 nan 8.280 nan 0.000 0.505 163 I N -0.409 120.232 120.570 0.117 0.000 2.163 163 I HA -0.289 3.883 4.170 0.003 0.000 0.243 163 I C 2.740 178.872 176.117 0.025 0.000 1.085 163 I CA 1.469 62.803 61.300 0.057 0.000 1.347 163 I CB -1.071 36.952 38.000 0.039 0.000 1.044 163 I HN 0.292 nan 8.210 nan 0.000 0.408 164 G N 1.350 110.147 108.800 -0.006 0.000 2.476 164 G HA2 -0.223 3.739 3.960 0.003 0.000 0.218 164 G HA3 -0.223 3.739 3.960 0.003 0.000 0.218 164 G C 1.718 176.598 174.900 -0.034 0.000 1.164 164 G CA 0.763 45.848 45.100 -0.026 0.000 0.768 164 G HN 0.270 nan 8.290 nan 0.000 0.560 165 L N -0.016 121.171 121.223 -0.060 0.000 2.017 165 L HA -0.065 4.277 4.340 0.003 0.000 0.208 165 L C 2.943 179.862 176.870 0.083 0.000 1.073 165 L CA 1.436 56.231 54.840 -0.074 0.000 0.745 165 L CB -0.525 41.482 42.059 -0.086 0.000 0.894 165 L HN 0.297 nan 8.230 nan 0.000 0.432 166 E N 0.204 120.435 120.200 0.051 0.000 2.038 166 E HA -0.259 4.093 4.350 0.003 0.000 0.195 166 E C 2.307 178.908 176.600 0.002 0.000 1.000 166 E CA 1.296 57.702 56.400 0.010 0.000 0.803 166 E CB -0.241 29.468 29.700 0.016 0.000 0.750 166 E HN 0.502 nan 8.360 nan 0.000 0.448 167 A N 1.488 124.322 122.820 0.024 0.000 1.908 167 A HA -0.189 4.133 4.320 0.003 0.000 0.218 167 A C 2.399 180.009 177.584 0.042 0.000 1.181 167 A CA 1.912 53.968 52.037 0.031 0.000 0.627 167 A CB -0.743 18.274 19.000 0.030 0.000 0.818 167 A HN 0.314 nan 8.150 nan 0.000 0.445 168 A N -0.198 122.656 122.820 0.057 0.000 1.877 168 A HA 0.135 4.457 4.320 0.003 0.000 0.216 168 A C 2.534 180.191 177.584 0.122 0.000 1.186 168 A CA 2.255 54.356 52.037 0.107 0.000 0.620 168 A CB -1.084 17.991 19.000 0.124 0.000 0.822 168 A HN 1.096 nan 8.150 nan 0.000 0.443 169 A N -0.049 122.781 122.820 0.016 0.000 1.877 169 A HA -0.039 4.283 4.320 0.003 0.000 0.216 169 A C 2.356 179.857 177.584 -0.138 0.000 1.186 169 A CA 2.447 54.273 52.037 -0.352 0.000 0.620 169 A CB -1.334 17.047 19.000 -1.033 0.000 0.822 169 A HN 1.200 nan 8.150 nan 0.000 0.443 170 V N -2.735 117.151 119.914 -0.046 0.000 2.515 170 V HA -0.132 3.990 4.120 0.003 0.000 0.250 170 V C 2.153 178.382 176.094 0.225 0.000 1.058 170 V CA 1.706 64.052 62.300 0.076 0.000 1.064 170 V CB -0.903 30.983 31.823 0.104 0.000 0.675 170 V HN 0.242 nan 8.190 nan 0.000 0.461 171 L N 2.248 123.577 121.223 0.177 0.000 2.083 171 L HA -0.085 4.257 4.340 0.003 0.000 0.209 171 L C 2.975 179.986 176.870 0.235 0.000 1.083 171 L CA 2.651 57.611 54.840 0.199 0.000 0.752 171 L CB -1.473 40.644 42.059 0.096 0.000 0.899 171 L HN 0.764 nan 8.230 nan 0.000 0.433 172 T N -4.209 110.467 114.554 0.204 0.000 2.915 172 T HA -0.191 4.161 4.350 0.003 0.000 0.269 172 T C 1.946 176.758 174.700 0.187 0.000 1.071 172 T CA 0.847 63.073 62.100 0.209 0.000 1.132 172 T CB -0.239 68.789 68.868 0.266 0.000 0.878 172 T HN 0.208 nan 8.240 nan 0.000 0.479 173 K N -0.071 120.428 120.400 0.164 0.000 2.209 173 K HA 0.045 4.367 4.320 0.003 0.000 0.204 173 K C 1.463 178.049 176.600 -0.024 0.000 1.048 173 K CA 1.008 57.329 56.287 0.057 0.000 0.940 173 K CB -0.300 32.191 32.500 -0.014 0.000 0.729 173 K HN 0.425 nan 8.250 nan 0.000 0.451 174 F N 0.346 120.318 119.950 0.036 0.000 2.802 174 F HA 0.041 4.570 4.527 0.004 0.000 0.300 174 F C 1.446 177.264 175.800 0.030 0.000 1.168 174 F CA 0.801 58.815 58.000 0.023 0.000 1.433 174 F CB 0.168 39.175 39.000 0.012 0.000 1.115 174 F HN 0.192 nan 8.300 nan 0.000 0.582 175 G N 0.907 109.815 108.800 0.180 0.000 2.179 175 G HA2 -0.249 3.713 3.960 0.003 0.000 0.257 175 G HA3 -0.249 3.713 3.960 0.003 0.000 0.257 175 G C 0.224 175.196 174.900 0.120 0.000 1.010 175 G CA 0.288 45.463 45.100 0.124 0.000 0.736 175 G HN 0.485 nan 8.290 nan 0.000 0.513 176 V N -3.148 116.849 119.914 0.139 0.000 3.109 176 V HA 0.719 4.841 4.120 0.003 0.000 0.317 176 V C 0.514 176.662 176.094 0.090 0.000 1.074 176 V CA -1.706 60.653 62.300 0.099 0.000 1.033 176 V CB 1.460 33.331 31.823 0.080 0.000 1.111 176 V HN 0.149 nan 8.190 nan 0.000 0.458 177 N N 1.297 120.039 118.700 0.069 0.000 2.475 177 N HA 0.361 5.103 4.740 0.003 0.000 0.267 177 N C -0.760 174.791 175.510 0.069 0.000 1.169 177 N CA 0.059 53.149 53.050 0.065 0.000 0.947 177 N CB 1.330 39.847 38.487 0.049 0.000 1.061 177 N HN 0.650 nan 8.380 nan 0.000 0.466 178 V N 2.399 122.363 119.914 0.083 0.000 2.444 178 V HA 0.334 4.456 4.120 0.003 0.000 0.294 178 V C 0.113 176.253 176.094 0.077 0.000 1.022 178 V CA -0.638 61.714 62.300 0.086 0.000 0.850 178 V CB 1.768 33.664 31.823 0.122 0.000 0.992 178 V HN 0.533 nan 8.190 nan 0.000 0.426 179 T N 6.312 120.900 114.554 0.057 0.000 2.779 179 T HA 0.643 4.995 4.350 0.003 0.000 0.280 179 T C -0.586 174.135 174.700 0.034 0.000 0.987 179 T CA -0.266 61.861 62.100 0.045 0.000 0.966 179 T CB 1.536 70.424 68.868 0.033 0.000 0.933 179 T HN 0.503 nan 8.240 nan 0.000 0.442 180 L N 4.393 125.632 121.223 0.026 0.000 2.329 180 L HA 0.680 5.022 4.340 0.003 0.000 0.279 180 L C -1.443 175.424 176.870 -0.005 0.000 1.014 180 L CA -0.899 53.942 54.840 0.001 0.000 0.814 180 L CB 0.849 42.893 42.059 -0.025 0.000 1.257 180 L HN 0.572 nan 8.230 nan 0.000 0.424 181 L N 4.367 125.582 121.223 -0.012 0.000 2.325 181 L HA 0.547 4.889 4.340 0.003 0.000 0.281 181 L C -0.852 176.004 176.870 -0.023 0.000 1.004 181 L CA -0.531 54.302 54.840 -0.012 0.000 0.823 181 L CB 1.713 43.767 42.059 -0.008 0.000 1.236 181 L HN 0.520 nan 8.230 nan 0.000 0.415 182 E N 2.022 122.209 120.200 -0.022 0.000 2.191 182 E HA 0.519 4.871 4.350 0.003 0.000 0.263 182 E C 0.175 176.763 176.600 -0.020 0.000 0.881 182 E CA -0.315 56.068 56.400 -0.029 0.000 0.757 182 E CB 2.072 31.751 29.700 -0.034 0.000 1.147 182 E HN 0.579 nan 8.360 nan 0.000 0.414 183 A N 4.995 127.801 122.820 -0.023 0.000 1.968 183 A HA 0.069 4.391 4.320 0.003 0.000 0.217 183 A C 0.570 178.145 177.584 -0.016 0.000 1.169 183 A CA 0.535 52.561 52.037 -0.018 0.000 0.638 183 A CB -0.234 18.755 19.000 -0.019 0.000 0.812 183 A HN 0.522 nan 8.150 nan 0.000 0.446 184 L N -1.022 120.189 121.223 -0.020 0.000 2.475 184 L HA 0.251 4.593 4.340 0.003 0.000 0.253 184 L C -1.490 175.375 176.870 -0.007 0.000 1.198 184 L CA -1.711 53.119 54.840 -0.016 0.000 0.814 184 L CB -0.257 41.787 42.059 -0.024 0.000 1.134 184 L HN -0.028 nan 8.230 nan 0.000 0.478 185 P HA -0.061 nan 4.420 nan 0.000 0.225 185 P C -0.751 176.559 177.300 0.016 0.000 1.148 185 P CA 0.994 64.100 63.100 0.009 0.000 0.779 185 P CB 0.239 31.947 31.700 0.013 0.000 0.780 186 R N -2.327 118.181 120.500 0.013 0.000 2.710 186 R HA 0.506 4.848 4.340 0.003 0.000 0.270 186 R C -0.802 175.498 176.300 -0.001 0.000 1.021 186 R CA -1.149 54.964 56.100 0.022 0.000 0.889 186 R CB 0.973 31.302 30.300 0.048 0.000 1.243 186 R HN -0.224 nan 8.270 nan 0.000 0.464 187 V N 0.564 120.477 119.914 -0.002 0.000 2.963 187 V HA 0.224 4.346 4.120 0.003 0.000 0.306 187 V C 1.018 177.073 176.094 -0.066 0.000 1.077 187 V CA -0.176 62.095 62.300 -0.049 0.000 1.124 187 V CB 0.015 31.802 31.823 -0.060 0.000 0.987 187 V HN 0.939 nan 8.190 nan 0.000 0.487 188 L N 0.669 121.793 121.223 -0.164 0.000 4.429 188 L HA -0.264 4.078 4.340 0.003 0.000 0.422 188 L C 1.868 178.661 176.870 -0.127 0.000 1.149 188 L CA 0.663 55.359 54.840 -0.239 0.000 0.972 188 L CB -2.039 39.870 42.059 -0.251 0.000 2.059 188 L HN 1.023 nan 8.230 nan 0.000 0.870 189 A N 0.285 123.057 122.820 -0.079 0.000 1.978 189 A HA -0.165 4.157 4.320 0.003 0.000 0.220 189 A C 2.165 179.722 177.584 -0.046 0.000 1.170 189 A CA 2.053 54.070 52.037 -0.033 0.000 0.636 189 A CB -0.320 18.664 19.000 -0.026 0.000 0.810 189 A HN 0.636 nan 8.150 nan 0.000 0.448 190 R N -0.919 119.528 120.500 -0.089 0.000 2.297 190 R HA 0.082 4.424 4.340 0.003 0.000 0.197 190 R C 1.075 177.311 176.300 -0.107 0.000 0.943 190 R CA 1.038 57.084 56.100 -0.090 0.000 1.038 190 R CB 0.117 30.355 30.300 -0.103 0.000 0.957 190 R HN 0.595 nan 8.270 nan 0.000 0.484 191 V N -5.519 114.319 119.914 -0.127 0.000 3.392 191 V HA 0.575 4.697 4.120 0.003 0.000 0.285 191 V C 0.160 176.208 176.094 -0.076 0.000 1.582 191 V CA 0.004 62.225 62.300 -0.133 0.000 1.034 191 V CB 0.670 32.363 31.823 -0.217 0.000 0.846 191 V HN 0.070 nan 8.190 nan 0.000 0.431 192 A N -0.205 122.598 122.820 -0.028 0.000 2.581 192 A HA 0.902 5.224 4.320 0.003 0.000 0.290 192 A C 0.043 177.740 177.584 0.188 0.000 1.119 192 A CA -0.097 51.981 52.037 0.068 0.000 0.670 192 A CB 0.734 19.847 19.000 0.187 0.000 1.280 192 A HN 0.992 nan 8.150 nan 0.000 0.425 193 G N -0.865 108.157 108.800 0.370 0.000 2.557 193 G HA2 0.469 4.431 3.960 0.003 0.000 0.292 193 G HA3 0.469 4.431 3.960 0.003 0.000 0.292 193 G C 0.484 175.557 174.900 0.288 0.000 1.237 193 G CA 0.326 45.673 45.100 0.410 0.000 0.978 193 G HN 0.758 nan 8.290 nan 0.000 0.498 194 E N -0.144 120.197 120.200 0.236 0.000 2.204 194 E HA -0.122 4.230 4.350 0.003 0.000 0.194 194 E C 2.467 179.178 176.600 0.186 0.000 0.989 194 E CA 1.051 57.559 56.400 0.181 0.000 0.824 194 E CB -0.675 29.107 29.700 0.136 0.000 0.756 194 E HN 0.399 nan 8.360 nan 0.000 0.477 195 A N 2.466 125.395 122.820 0.182 0.000 1.883 195 A HA -0.139 4.183 4.320 0.003 0.000 0.217 195 A C 2.414 180.172 177.584 0.290 0.000 1.186 195 A CA 1.239 53.378 52.037 0.169 0.000 0.624 195 A CB -0.765 18.304 19.000 0.115 0.000 0.822 195 A HN 0.218 nan 8.150 nan 0.000 0.444 196 L N -0.521 120.932 121.223 0.383 0.000 2.017 196 L HA -0.166 4.176 4.340 0.003 0.000 0.208 196 L C 2.901 180.114 176.870 0.572 0.000 1.073 196 L CA 1.825 56.998 54.840 0.555 0.000 0.745 196 L CB -0.654 41.729 42.059 0.540 0.000 0.894 196 L HN 0.407 nan 8.230 nan 0.000 0.432 197 S N -0.194 115.733 115.700 0.379 0.000 2.359 197 S HA -0.248 4.224 4.470 0.003 0.000 0.222 197 S C 1.713 176.485 174.600 0.287 0.000 1.038 197 S CA 1.620 59.996 58.200 0.293 0.000 1.051 197 S CB -0.278 63.031 63.200 0.180 0.000 0.944 197 S HN 0.446 nan 8.310 nan 0.000 0.433 198 E N -0.045 120.298 120.200 0.238 0.000 2.070 198 E HA -0.199 4.153 4.350 0.003 0.000 0.197 198 E C 1.867 178.594 176.600 0.211 0.000 1.004 198 E CA 1.318 57.828 56.400 0.183 0.000 0.805 198 E CB -0.306 29.477 29.700 0.137 0.000 0.744 198 E HN 0.508 nan 8.360 nan 0.000 0.451 199 F N 0.761 120.782 119.950 0.118 0.000 2.046 199 F HA -0.279 4.250 4.527 0.003 0.000 0.297 199 F C 2.031 177.879 175.800 0.080 0.000 1.123 199 F CA 1.673 59.705 58.000 0.054 0.000 1.199 199 F CB -0.606 38.439 39.000 0.075 0.000 0.972 199 F HN -0.004 nan 8.300 nan 0.000 0.474 200 Y N 0.427 120.847 120.300 0.199 0.000 2.242 200 Y HA -0.216 4.337 4.550 0.004 0.000 0.291 200 Y C 2.679 178.691 175.900 0.187 0.000 1.137 200 Y CA 1.747 59.952 58.100 0.175 0.000 1.181 200 Y CB -0.708 37.948 38.460 0.326 0.000 0.989 200 Y HN 0.187 nan 8.280 nan 0.000 0.527 201 Q N -0.391 119.570 119.800 0.268 0.000 2.050 201 Q HA -0.218 4.124 4.340 0.003 0.000 0.202 201 Q C 2.589 178.661 176.000 0.119 0.000 0.980 201 Q CA 1.415 57.322 55.803 0.174 0.000 0.840 201 Q CB -0.354 28.458 28.738 0.124 0.000 0.898 201 Q HN 0.538 nan 8.270 nan 0.000 0.424 202 A N 0.762 123.610 122.820 0.046 0.000 1.902 202 A HA -0.238 4.084 4.320 0.003 0.000 0.217 202 A C 1.924 179.466 177.584 -0.070 0.000 1.181 202 A CA 1.705 53.731 52.037 -0.018 0.000 0.623 202 A CB -0.429 18.545 19.000 -0.044 0.000 0.818 202 A HN 0.256 nan 8.150 nan 0.000 0.443 203 E N -0.500 119.600 120.200 -0.167 0.000 2.028 203 E HA -0.166 4.186 4.350 0.003 0.000 0.191 203 E C 1.965 178.529 176.600 -0.059 0.000 0.988 203 E CA 1.451 57.718 56.400 -0.222 0.000 0.799 203 E CB -0.404 29.010 29.700 -0.476 0.000 0.755 203 E HN 0.723 nan 8.360 nan 0.000 0.447 204 H N -0.261 118.851 119.070 0.070 0.000 2.352 204 H HA -0.049 4.509 4.556 0.003 0.000 0.299 204 H C 2.303 177.697 175.328 0.110 0.000 1.097 204 H CA 1.706 57.858 56.048 0.173 0.000 1.311 204 H CB 0.079 29.986 29.762 0.241 0.000 1.377 204 H HN 0.086 nan 8.280 nan 0.000 0.504 205 R N 0.324 120.928 120.500 0.175 0.000 2.081 205 R HA -0.070 4.272 4.340 0.003 0.000 0.235 205 R C 2.520 178.835 176.300 0.026 0.000 1.131 205 R CA 1.046 57.201 56.100 0.093 0.000 0.960 205 R CB -0.192 30.145 30.300 0.062 0.000 0.856 205 R HN 0.211 nan 8.270 nan 0.000 0.436 206 A N 0.197 122.996 122.820 -0.035 0.000 2.125 206 A HA -0.145 4.177 4.320 0.003 0.000 0.219 206 A C 1.216 178.659 177.584 -0.234 0.000 1.156 206 A CA 1.150 53.106 52.037 -0.136 0.000 0.671 206 A CB -0.402 18.483 19.000 -0.192 0.000 0.794 206 A HN 0.351 nan 8.150 nan 0.000 0.459 207 H N -1.521 117.440 119.070 -0.182 0.000 2.517 207 H HA 0.247 4.805 4.556 0.003 0.000 0.282 207 H C 1.573 176.882 175.328 -0.031 0.000 1.023 207 H CA 0.624 56.558 56.048 -0.190 0.000 1.169 207 H CB 0.226 29.717 29.762 -0.452 0.000 1.454 207 H HN 0.623 nan 8.280 nan 0.000 0.556 208 G N 0.965 109.810 108.800 0.075 0.000 2.175 208 G HA2 -0.280 3.682 3.960 0.003 0.000 0.244 208 G HA3 -0.280 3.682 3.960 0.003 0.000 0.244 208 G C 0.309 175.279 174.900 0.117 0.000 0.982 208 G CA 0.259 45.407 45.100 0.081 0.000 0.641 208 G HN 0.195 nan 8.290 nan 0.000 0.527 209 V N 1.583 121.597 119.914 0.167 0.000 2.470 209 V HA 0.348 4.470 4.120 0.003 0.000 0.276 209 V C 0.608 176.774 176.094 0.119 0.000 1.040 209 V CA 0.022 62.427 62.300 0.175 0.000 1.008 209 V CB 1.549 33.538 31.823 0.276 0.000 0.990 209 V HN 0.357 nan 8.190 nan 0.000 0.477 210 D N 5.198 125.651 120.400 0.088 0.000 2.416 210 D HA 0.136 4.778 4.640 0.003 0.000 0.240 210 D C -0.370 175.963 176.300 0.055 0.000 1.250 210 D CA 0.069 54.106 54.000 0.062 0.000 0.967 210 D CB 0.297 41.126 40.800 0.048 0.000 1.059 210 D HN 0.488 nan 8.370 nan 0.000 0.512 211 L N 4.562 125.819 121.223 0.056 0.000 2.264 211 L HA 0.456 4.798 4.340 0.003 0.000 0.289 211 L C -0.275 176.611 176.870 0.027 0.000 1.044 211 L CA -0.648 54.215 54.840 0.039 0.000 0.807 211 L CB 0.333 42.422 42.059 0.050 0.000 1.192 211 L HN 0.230 nan 8.230 nan 0.000 0.425 212 R N 3.403 123.913 120.500 0.015 0.000 2.388 212 R HA 0.357 4.699 4.340 0.003 0.000 0.314 212 R C -0.451 175.853 176.300 0.005 0.000 0.959 212 R CA -0.616 55.492 56.100 0.012 0.000 0.851 212 R CB 1.505 31.811 30.300 0.011 0.000 1.168 212 R HN 0.644 nan 8.270 nan 0.000 0.472 213 T N -1.647 112.912 114.554 0.008 0.000 2.902 213 T HA 0.410 4.762 4.350 0.003 0.000 0.280 213 T C 1.198 175.900 174.700 0.003 0.000 0.992 213 T CA 0.075 62.177 62.100 0.004 0.000 1.015 213 T CB 1.624 70.498 68.868 0.010 0.000 1.044 213 T HN 0.760 nan 8.240 nan 0.000 0.520 214 G N 0.179 108.979 108.800 -0.000 0.000 2.233 214 G HA2 0.002 3.964 3.960 0.003 0.000 0.270 214 G HA3 0.002 3.964 3.960 0.003 0.000 0.270 214 G C 0.252 175.151 174.900 -0.002 0.000 1.011 214 G CA -0.006 45.094 45.100 -0.001 0.000 0.762 214 G HN 1.504 nan 8.290 nan 0.000 0.511 215 A N -0.153 122.664 122.820 -0.003 0.000 2.294 215 A HA 0.838 5.160 4.320 0.003 0.000 0.316 215 A C 0.620 178.200 177.584 -0.006 0.000 1.359 215 A CA 0.679 52.714 52.037 -0.003 0.000 0.956 215 A CB 0.560 19.559 19.000 -0.002 0.000 1.155 215 A HN 1.965 nan 8.150 nan 0.000 0.544 216 A N 4.456 127.273 122.820 -0.005 0.000 2.274 216 A HA 0.633 4.955 4.320 0.003 0.000 0.309 216 A C 0.104 177.684 177.584 -0.007 0.000 1.226 216 A CA -0.432 51.600 52.037 -0.007 0.000 0.853 216 A CB 0.357 19.353 19.000 -0.007 0.000 1.146 216 A HN 1.022 nan 8.150 nan 0.000 0.518 217 M N 2.465 122.060 119.600 -0.008 0.000 2.472 217 M HA 0.295 4.777 4.480 0.003 0.000 0.331 217 M C -0.563 175.732 176.300 -0.008 0.000 1.170 217 M CA -0.308 54.987 55.300 -0.008 0.000 1.009 217 M CB 1.701 34.296 32.600 -0.008 0.000 1.672 217 M HN 0.819 nan 8.290 nan 0.000 0.453 218 D N 3.095 123.491 120.400 -0.007 0.000 2.429 218 D HA 0.177 4.819 4.640 0.003 0.000 0.242 218 D C 0.030 176.325 176.300 -0.009 0.000 1.076 218 D CA 1.074 55.070 54.000 -0.008 0.000 0.955 218 D CB 0.480 41.276 40.800 -0.006 0.000 1.076 218 D HN 0.826 nan 8.370 nan 0.000 0.448 219 c N -0.846 117.749 118.600 -0.009 0.000 3.320 219 c HA 0.703 5.275 4.570 0.003 0.000 0.335 219 c C -0.545 173.538 174.090 -0.011 0.000 1.430 219 c CA -1.377 54.946 56.329 -0.011 0.000 1.271 219 c CB 0.216 42.720 42.510 -0.011 0.000 1.609 219 c HN 0.237 nan 8.230 nan 0.000 0.457 220 I N 2.047 122.609 120.570 -0.014 0.000 2.315 220 I HA 0.345 4.517 4.170 0.003 0.000 0.291 220 I C 0.355 176.463 176.117 -0.016 0.000 1.006 220 I CA 0.155 61.446 61.300 -0.016 0.000 1.265 220 I CB 0.910 38.896 38.000 -0.023 0.000 1.387 220 I HN 0.649 nan 8.210 nan 0.000 0.475 221 E N 4.251 124.443 120.200 -0.013 0.000 2.319 221 E HA 0.604 4.956 4.350 0.003 0.000 0.268 221 E C 0.099 176.691 176.600 -0.015 0.000 1.050 221 E CA -0.473 55.920 56.400 -0.012 0.000 0.878 221 E CB 1.779 31.474 29.700 -0.008 0.000 1.066 221 E HN 0.785 nan 8.360 nan 0.000 0.406 222 G N 0.612 109.403 108.800 -0.014 0.000 2.866 222 G HA2 0.244 4.206 3.960 0.003 0.000 0.289 222 G HA3 0.244 4.206 3.960 0.003 0.000 0.289 222 G C -0.765 174.129 174.900 -0.011 0.000 1.396 222 G CA -0.611 44.480 45.100 -0.015 0.000 0.848 222 G HN 0.600 nan 8.290 nan 0.000 0.515 223 D N -2.257 118.137 120.400 -0.011 0.000 2.462 223 D HA 0.336 4.978 4.640 0.003 0.000 0.221 223 D C 1.411 177.705 176.300 -0.009 0.000 1.173 223 D CA 0.624 54.619 54.000 -0.008 0.000 0.831 223 D CB 0.270 41.066 40.800 -0.006 0.000 1.001 223 D HN 1.484 nan 8.370 nan 0.000 0.499 224 G N -0.663 108.130 108.800 -0.011 0.000 2.234 224 G HA2 -0.315 3.647 3.960 0.003 0.000 0.235 224 G HA3 -0.315 3.647 3.960 0.003 0.000 0.235 224 G C 1.060 175.952 174.900 -0.013 0.000 0.997 224 G CA 0.581 45.674 45.100 -0.011 0.000 0.623 224 G HN 0.416 nan 8.290 nan 0.000 0.514 225 T N -0.407 114.139 114.554 -0.013 0.000 3.176 225 T HA 0.323 4.675 4.350 0.003 0.000 0.259 225 T C 0.649 175.337 174.700 -0.020 0.000 0.978 225 T CA 1.207 63.298 62.100 -0.015 0.000 1.050 225 T CB 0.668 69.530 68.868 -0.010 0.000 1.136 225 T HN 0.788 nan 8.240 nan 0.000 0.465 226 K N 1.586 121.975 120.400 -0.019 0.000 2.435 226 K HA 0.699 5.021 4.320 0.003 0.000 0.251 226 K C -0.755 175.831 176.600 -0.023 0.000 0.954 226 K CA -0.726 55.548 56.287 -0.023 0.000 0.820 226 K CB 2.590 35.082 32.500 -0.014 0.000 1.292 226 K HN 0.001 nan 8.250 nan 0.000 0.436 227 V N 2.462 122.358 119.914 -0.031 0.000 2.655 227 V HA 0.049 4.171 4.120 0.003 0.000 0.300 227 V C 0.630 176.716 176.094 -0.014 0.000 1.044 227 V CA 1.396 63.680 62.300 -0.026 0.000 1.095 227 V CB 0.751 32.552 31.823 -0.036 0.000 0.952 227 V HN 1.114 nan 8.190 nan 0.000 0.485 228 T N 2.326 116.874 114.554 -0.010 0.000 2.966 228 T HA 0.545 4.897 4.350 0.003 0.000 0.254 228 T C 0.554 175.252 174.700 -0.002 0.000 0.961 228 T CA 0.398 62.495 62.100 -0.005 0.000 0.915 228 T CB 0.445 69.310 68.868 -0.004 0.000 1.186 228 T HN 1.407 nan 8.240 nan 0.000 0.505 229 G N 0.285 109.083 108.800 -0.005 0.000 2.559 229 G HA2 0.518 4.480 3.960 0.003 0.000 0.291 229 G HA3 0.518 4.480 3.960 0.003 0.000 0.291 229 G C -2.167 172.730 174.900 -0.005 0.000 1.424 229 G CA -0.546 44.552 45.100 -0.002 0.000 0.786 229 G HN 0.234 nan 8.290 nan 0.000 0.485 230 V N 1.068 120.980 119.914 -0.002 0.000 2.350 230 V HA 0.465 4.587 4.120 0.003 0.000 0.285 230 V C 0.551 176.643 176.094 -0.003 0.000 1.014 230 V CA -0.727 61.571 62.300 -0.004 0.000 0.831 230 V CB 1.187 33.009 31.823 -0.002 0.000 1.000 230 V HN 0.708 nan 8.190 nan 0.000 0.433 231 R N 5.390 125.887 120.500 -0.005 0.000 2.351 231 R HA 0.312 4.654 4.340 0.003 0.000 0.318 231 R C -0.016 176.282 176.300 -0.004 0.000 1.055 231 R CA -0.408 55.689 56.100 -0.004 0.000 0.968 231 R CB 0.371 30.668 30.300 -0.005 0.000 0.974 231 R HN 0.528 nan 8.270 nan 0.000 0.439 232 M N 2.828 122.426 119.600 -0.003 0.000 2.197 232 M HA 0.066 4.548 4.480 0.003 0.000 0.305 232 M C 1.008 177.306 176.300 -0.003 0.000 1.162 232 M CA 0.216 55.515 55.300 -0.003 0.000 1.099 232 M CB 0.748 33.347 32.600 -0.001 0.000 1.430 232 M HN 0.582 nan 8.290 nan 0.000 0.481 233 Q N 0.375 120.173 119.800 -0.004 0.000 2.444 233 Q HA -0.093 4.249 4.340 0.003 0.000 0.206 233 Q C 0.456 176.454 176.000 -0.003 0.000 0.948 233 Q CA 0.498 56.299 55.803 -0.004 0.000 0.946 233 Q CB 0.180 28.915 28.738 -0.005 0.000 1.027 233 Q HN 0.614 nan 8.270 nan 0.000 0.513 234 D N -1.957 118.442 120.400 -0.002 0.000 2.369 234 D HA 0.017 4.659 4.640 0.003 0.000 0.211 234 D C 0.480 176.780 176.300 -0.000 0.000 1.077 234 D CA 0.104 54.104 54.000 -0.001 0.000 0.842 234 D CB 0.276 41.076 40.800 -0.000 0.000 0.947 234 D HN 0.074 nan 8.370 nan 0.000 0.509 235 G N 0.956 109.755 108.800 -0.001 0.000 4.487 235 G HA2 0.384 4.346 3.960 0.003 0.000 0.339 235 G HA3 0.384 4.346 3.960 0.003 0.000 0.339 235 G C 0.091 174.990 174.900 -0.001 0.000 1.482 235 G CA -0.361 44.739 45.100 -0.001 0.000 1.069 235 G HN 0.197 nan 8.290 nan 0.000 0.515 236 S N -0.333 115.367 115.700 0.000 0.000 2.608 236 S HA 0.626 5.098 4.470 0.003 0.000 0.261 236 S C 0.001 174.601 174.600 0.001 0.000 1.314 236 S CA -0.510 57.691 58.200 0.001 0.000 0.992 236 S CB 1.943 65.144 63.200 0.002 0.000 0.935 236 S HN 0.290 nan 8.310 nan 0.000 0.564 237 V N 1.318 121.233 119.914 0.002 0.000 2.487 237 V HA 0.427 4.549 4.120 0.003 0.000 0.298 237 V C -0.395 175.701 176.094 0.003 0.000 1.028 237 V CA -0.693 61.608 62.300 0.001 0.000 0.860 237 V CB 1.307 33.130 31.823 0.001 0.000 0.991 237 V HN 0.829 nan 8.190 nan 0.000 0.427 238 I N 6.899 127.471 120.570 0.004 0.000 2.315 238 I HA 0.360 4.532 4.170 0.003 0.000 0.291 238 I C -2.321 173.800 176.117 0.006 0.000 1.006 238 I CA -1.956 59.348 61.300 0.006 0.000 1.265 238 I CB 1.875 39.879 38.000 0.008 0.000 1.387 238 I HN 0.413 nan 8.210 nan 0.000 0.475 239 P HA 0.281 nan 4.420 nan 0.000 0.271 239 P C -1.007 176.299 177.300 0.010 0.000 1.216 239 P CA -0.198 62.906 63.100 0.008 0.000 0.771 239 P CB 0.983 32.688 31.700 0.009 0.000 0.864 240 A N 2.443 125.268 122.820 0.008 0.000 2.517 240 A HA 0.503 4.825 4.320 0.003 0.000 0.297 240 A C -0.195 177.394 177.584 0.008 0.000 1.050 240 A CA -0.537 51.507 52.037 0.010 0.000 0.694 240 A CB 1.078 20.084 19.000 0.010 0.000 1.277 240 A HN 0.520 nan 8.150 nan 0.000 0.400 241 D N 0.442 120.849 120.400 0.013 0.000 2.398 241 D HA 0.299 4.941 4.640 0.003 0.000 0.210 241 D C -0.010 176.304 176.300 0.023 0.000 1.094 241 D CA 0.396 54.404 54.000 0.013 0.000 0.839 241 D CB 0.197 41.005 40.800 0.012 0.000 0.963 241 D HN 0.371 nan 8.370 nan 0.000 0.506 242 I N 0.557 121.145 120.570 0.029 0.000 2.571 242 I HA 0.333 4.505 4.170 0.003 0.000 0.289 242 I C -1.338 174.807 176.117 0.047 0.000 1.115 242 I CA -1.119 60.217 61.300 0.059 0.000 1.045 242 I CB 2.988 41.020 38.000 0.054 0.000 1.238 242 I HN -0.293 nan 8.210 nan 0.000 0.424 243 V N 6.575 126.516 119.914 0.046 0.000 2.487 243 V HA 0.463 4.585 4.120 0.003 0.000 0.298 243 V C -0.263 175.861 176.094 0.050 0.000 1.028 243 V CA -0.614 61.703 62.300 0.027 0.000 0.860 243 V CB 2.152 33.971 31.823 -0.007 0.000 0.991 243 V HN 0.380 nan 8.190 nan 0.000 0.427 244 I N 5.360 125.959 120.570 0.048 0.000 2.321 244 I HA 0.329 4.501 4.170 0.003 0.000 0.291 244 I C 0.041 176.174 176.117 0.026 0.000 0.998 244 I CA -0.513 60.819 61.300 0.054 0.000 1.227 244 I CB 1.565 39.593 38.000 0.046 0.000 1.368 244 I HN 0.240 nan 8.210 nan 0.000 0.466 245 V N 6.174 126.103 119.914 0.025 0.000 2.320 245 V HA 0.443 4.565 4.120 0.003 0.000 0.265 245 V C 0.973 177.072 176.094 0.008 0.000 1.048 245 V CA -0.271 62.034 62.300 0.008 0.000 0.865 245 V CB 0.935 32.758 31.823 0.001 0.000 1.043 245 V HN 0.962 nan 8.190 nan 0.000 0.474 246 G N 5.980 114.778 108.800 -0.003 0.000 4.912 246 G HA2 0.561 4.523 3.960 0.003 0.000 0.307 246 G HA3 0.561 4.523 3.960 0.003 0.000 0.307 246 G C -0.149 174.736 174.900 -0.026 0.000 1.381 246 G CA -0.218 44.876 45.100 -0.010 0.000 1.057 246 G HN 0.694 nan 8.290 nan 0.000 0.593 247 I N -2.836 117.720 120.570 -0.023 0.000 3.237 247 I HA 0.886 5.058 4.170 0.003 0.000 0.308 247 I C 0.785 176.885 176.117 -0.028 0.000 1.093 247 I CA -1.631 59.650 61.300 -0.031 0.000 1.001 247 I CB 1.260 39.243 38.000 -0.028 0.000 1.245 247 I HN 0.056 nan 8.210 nan 0.000 0.485 248 G N 2.359 111.140 108.800 -0.032 0.000 2.224 248 G HA2 0.288 4.250 3.960 0.003 0.000 0.239 248 G HA3 0.288 4.250 3.960 0.003 0.000 0.239 248 G C -0.058 174.831 174.900 -0.018 0.000 1.240 248 G CA -0.305 44.778 45.100 -0.029 0.000 0.896 248 G HN 0.755 nan 8.290 nan 0.000 0.496 249 I N -0.102 120.460 120.570 -0.014 0.000 2.834 249 I HA 0.628 4.800 4.170 0.003 0.000 0.305 249 I C -0.331 175.785 176.117 -0.002 0.000 1.008 249 I CA -1.110 60.186 61.300 -0.006 0.000 1.273 249 I CB 1.735 39.734 38.000 -0.002 0.000 1.432 249 I HN 0.154 nan 8.210 nan 0.000 0.557 250 V N 3.920 123.836 119.914 0.004 0.000 2.328 250 V HA 0.347 4.468 4.120 0.003 0.000 0.278 250 V C -2.199 173.908 176.094 0.022 0.000 1.021 250 V CA -1.691 60.615 62.300 0.010 0.000 0.838 250 V CB 0.757 32.586 31.823 0.010 0.000 0.999 250 V HN 0.673 nan 8.190 nan 0.000 0.447 251 P HA 0.001 nan 4.420 nan 0.000 0.261 251 P C -0.061 177.284 177.300 0.076 0.000 1.183 251 P CA -0.027 63.103 63.100 0.050 0.000 0.761 251 P CB 0.144 31.873 31.700 0.048 0.000 0.785 252 C N 4.447 123.808 119.300 0.101 0.000 2.896 252 C HA 0.091 4.553 4.460 0.003 0.000 0.499 252 C C 1.810 176.984 174.990 0.306 0.000 1.022 252 C CA 0.173 59.277 59.018 0.143 0.000 1.127 252 C CB -1.933 25.857 27.740 0.084 0.000 1.452 252 C HN 0.437 nan 8.230 nan 0.000 0.580 253 V N 1.542 121.579 119.914 0.206 0.000 3.432 253 V HA 0.148 4.270 4.120 0.003 0.000 0.298 253 V C 2.218 178.320 176.094 0.013 0.000 1.464 253 V CA 1.215 63.599 62.300 0.140 0.000 1.046 253 V CB 0.224 32.078 31.823 0.053 0.000 0.887 253 V HN 0.832 nan 8.190 nan 0.000 0.441 254 G N 1.028 109.866 108.800 0.063 0.000 2.556 254 G HA2 -0.351 3.611 3.960 0.003 0.000 0.220 254 G HA3 -0.351 3.611 3.960 0.003 0.000 0.220 254 G C 1.667 176.548 174.900 -0.030 0.000 1.156 254 G CA 1.388 46.499 45.100 0.019 0.000 0.766 254 G HN 0.631 nan 8.290 nan 0.000 0.583 255 A N -0.286 122.528 122.820 -0.010 0.000 1.969 255 A HA 0.163 4.485 4.320 0.003 0.000 0.218 255 A C 2.360 179.766 177.584 -0.296 0.000 1.169 255 A CA 1.428 53.413 52.037 -0.088 0.000 0.635 255 A CB -0.270 18.765 19.000 0.060 0.000 0.810 255 A HN 0.316 nan 8.150 nan 0.000 0.445 256 L N -0.029 120.897 121.223 -0.496 0.000 2.044 256 L HA -0.099 4.243 4.340 0.003 0.000 0.205 256 L C 2.347 179.055 176.870 -0.271 0.000 1.075 256 L CA 1.260 55.788 54.840 -0.519 0.000 0.747 256 L CB -0.603 41.044 42.059 -0.687 0.000 0.903 256 L HN 0.303 nan 8.230 nan 0.000 0.435 257 I N -1.142 119.314 120.570 -0.190 0.000 2.163 257 I HA -0.268 3.904 4.170 0.003 0.000 0.243 257 I C 2.498 178.559 176.117 -0.094 0.000 1.085 257 I CA 1.209 62.440 61.300 -0.116 0.000 1.347 257 I CB -1.437 36.518 38.000 -0.076 0.000 1.044 257 I HN 0.192 nan 8.210 nan 0.000 0.408 258 S N 0.947 116.595 115.700 -0.086 0.000 2.400 258 S HA -0.133 4.339 4.470 0.003 0.000 0.232 258 S C 2.011 176.571 174.600 -0.068 0.000 1.025 258 S CA 1.394 59.557 58.200 -0.062 0.000 0.993 258 S CB -0.270 62.903 63.200 -0.044 0.000 0.808 258 S HN 0.581 nan 8.310 nan 0.000 0.478 259 A N -0.136 122.623 122.820 -0.101 0.000 2.208 259 A HA 0.487 4.809 4.320 0.003 0.000 0.209 259 A C 1.600 179.133 177.584 -0.086 0.000 1.161 259 A CA 0.936 52.917 52.037 -0.093 0.000 0.782 259 A CB -0.481 18.443 19.000 -0.126 0.000 0.816 259 A HN 0.858 nan 8.150 nan 0.000 0.477 260 G N -2.287 106.461 108.800 -0.088 0.000 2.184 260 G HA2 0.168 4.130 3.960 0.003 0.000 0.206 260 G HA3 0.168 4.130 3.960 0.003 0.000 0.206 260 G C 0.380 175.232 174.900 -0.081 0.000 0.995 260 G CA 0.035 45.092 45.100 -0.071 0.000 0.651 260 G HN 1.487 nan 8.290 nan 0.000 0.511 261 A N 0.708 123.460 122.820 -0.113 0.000 2.511 261 A HA 0.635 4.957 4.320 0.003 0.000 0.242 261 A C 1.074 178.606 177.584 -0.086 0.000 1.069 261 A CA 1.037 53.004 52.037 -0.116 0.000 0.763 261 A CB 0.227 19.124 19.000 -0.173 0.000 1.001 261 A HN 1.964 nan 8.150 nan 0.000 0.498 262 S N 1.397 117.057 115.700 -0.066 0.000 2.610 262 S HA 0.759 5.231 4.470 0.003 0.000 0.273 262 S C 0.199 174.774 174.600 -0.042 0.000 1.274 262 S CA 0.013 58.186 58.200 -0.046 0.000 1.023 262 S CB 1.238 64.418 63.200 -0.032 0.000 0.962 262 S HN 2.413 nan 8.310 nan 0.000 0.523 263 G N 0.173 108.954 108.800 -0.031 0.000 2.196 263 G HA2 0.430 4.392 3.960 0.003 0.000 0.215 263 G HA3 0.430 4.392 3.960 0.003 0.000 0.215 263 G C 0.238 175.126 174.900 -0.019 0.000 1.640 263 G CA -0.272 44.815 45.100 -0.021 0.000 0.946 263 G HN 1.103 nan 8.290 nan 0.000 0.710 264 G N 0.703 109.495 108.800 -0.012 0.000 2.411 264 G HA2 0.121 4.083 3.960 0.003 0.000 0.213 264 G HA3 0.121 4.083 3.960 0.003 0.000 0.213 264 G C 0.721 175.616 174.900 -0.008 0.000 1.166 264 G CA 0.894 45.987 45.100 -0.011 0.000 0.802 264 G HN 0.848 nan 8.290 nan 0.000 0.533 265 N N 0.320 119.018 118.700 -0.003 0.000 2.707 265 N HA 0.457 5.199 4.740 0.003 0.000 0.235 265 N C 0.787 176.302 175.510 0.008 0.000 1.028 265 N CA 0.672 53.723 53.050 0.001 0.000 0.906 265 N CB 0.376 38.863 38.487 0.000 0.000 1.131 265 N HN 0.498 nan 8.380 nan 0.000 0.509 266 G N 1.038 109.843 108.800 0.009 0.000 2.527 266 G HA2 -0.236 3.726 3.960 0.003 0.000 0.268 266 G HA3 -0.236 3.726 3.960 0.003 0.000 0.268 266 G C -1.102 173.799 174.900 0.001 0.000 1.175 266 G CA 0.175 45.285 45.100 0.017 0.000 0.962 266 G HN 0.593 nan 8.290 nan 0.000 0.560 267 V N 1.909 121.826 119.914 0.006 0.000 2.540 267 V HA 0.507 4.629 4.120 0.003 0.000 0.302 267 V C -0.705 175.393 176.094 0.006 0.000 1.035 267 V CA -0.677 61.611 62.300 -0.020 0.000 0.873 267 V CB 1.790 33.575 31.823 -0.064 0.000 0.992 267 V HN 0.692 nan 8.190 nan 0.000 0.428 268 D N 3.224 123.623 120.400 -0.000 0.000 2.350 268 D HA 0.445 5.087 4.640 0.003 0.000 0.249 268 D C -0.135 176.183 176.300 0.030 0.000 1.119 268 D CA 0.362 54.377 54.000 0.025 0.000 0.886 268 D CB 1.774 42.584 40.800 0.017 0.000 1.195 268 D HN 0.481 nan 8.370 nan 0.000 0.437 269 V N -0.978 118.978 119.914 0.071 0.000 3.007 269 V HA 0.549 4.671 4.120 0.003 0.000 0.311 269 V C -0.421 175.745 176.094 0.122 0.000 1.120 269 V CA -1.119 61.220 62.300 0.065 0.000 0.980 269 V CB 2.179 34.027 31.823 0.042 0.000 1.033 269 V HN 0.431 nan 8.190 nan 0.000 0.429 270 D N 1.860 122.319 120.400 0.098 0.000 2.425 270 D HA 0.156 4.798 4.640 0.003 0.000 0.274 270 D C 1.087 177.403 176.300 0.027 0.000 1.242 270 D CA 0.216 54.294 54.000 0.130 0.000 1.060 270 D CB 0.262 41.144 40.800 0.137 0.000 1.112 270 D HN 0.769 nan 8.370 nan 0.000 0.561 271 E N -0.519 119.660 120.200 -0.035 0.000 2.478 271 E HA -0.119 4.233 4.350 0.003 0.000 0.198 271 E C 0.525 176.831 176.600 -0.491 0.000 1.046 271 E CA 0.545 56.796 56.400 -0.249 0.000 0.870 271 E CB -0.523 29.003 29.700 -0.290 0.000 0.818 271 E HN 0.478 nan 8.360 nan 0.000 0.527 272 F N -0.183 119.808 119.950 0.068 0.000 2.639 272 F HA 0.274 4.802 4.527 0.003 0.000 0.302 272 F C 0.649 176.539 175.800 0.150 0.000 1.097 272 F CA -0.568 57.496 58.000 0.107 0.000 1.294 272 F CB -0.101 38.980 39.000 0.135 0.000 1.027 272 F HN 0.004 nan 8.300 nan 0.000 0.550 273 C N 0.797 120.183 119.300 0.144 0.000 4.417 273 C HA -0.237 4.225 4.460 0.003 0.000 0.284 273 C C 0.813 175.920 174.990 0.194 0.000 1.379 273 C CA -0.271 58.827 59.018 0.133 0.000 1.918 273 C CB -3.048 24.766 27.740 0.124 0.000 1.280 273 C HN 0.371 nan 8.230 nan 0.000 0.783 274 R N 1.481 122.032 120.500 0.085 0.000 2.308 274 R HA 0.493 4.835 4.340 0.003 0.000 0.305 274 R C 1.005 177.255 176.300 -0.082 0.000 1.053 274 R CA 0.759 56.764 56.100 -0.159 0.000 0.957 274 R CB 0.708 30.890 30.300 -0.198 0.000 1.022 274 R HN 0.611 nan 8.270 nan 0.000 0.461 275 T N -1.308 113.170 114.554 -0.126 0.000 2.729 275 T HA 0.029 4.381 4.350 0.003 0.000 0.298 275 T C 1.357 176.004 174.700 -0.088 0.000 1.013 275 T CA -0.154 61.892 62.100 -0.090 0.000 0.957 275 T CB 0.874 69.673 68.868 -0.116 0.000 1.130 275 T HN 0.556 nan 8.240 nan 0.000 0.526 276 S N -0.560 115.095 115.700 -0.074 0.000 2.522 276 S HA 0.147 4.619 4.470 0.003 0.000 0.227 276 S C 0.683 175.240 174.600 -0.072 0.000 0.986 276 S CA -0.260 57.904 58.200 -0.060 0.000 0.929 276 S CB -0.799 62.373 63.200 -0.048 0.000 0.769 276 S HN 0.576 nan 8.310 nan 0.000 0.529 277 L N 2.745 123.909 121.223 -0.098 0.000 2.292 277 L HA 0.334 4.676 4.340 0.003 0.000 0.284 277 L C 0.113 176.921 176.870 -0.103 0.000 1.065 277 L CA -0.622 54.159 54.840 -0.098 0.000 0.806 277 L CB 0.706 42.692 42.059 -0.122 0.000 1.175 277 L HN -0.020 nan 8.230 nan 0.000 0.431 278 T N 2.043 116.558 114.554 -0.066 0.000 2.908 278 T HA -0.027 4.325 4.350 0.003 0.000 0.301 278 T C 0.338 175.019 174.700 -0.032 0.000 1.019 278 T CA 0.098 62.178 62.100 -0.033 0.000 1.152 278 T CB 0.101 68.993 68.868 0.041 0.000 0.966 278 T HN 0.767 nan 8.240 nan 0.000 0.540 279 D N -0.995 119.385 120.400 -0.034 0.000 3.046 279 D HA -0.150 4.492 4.640 0.003 0.000 0.210 279 D C -0.028 176.256 176.300 -0.028 0.000 1.124 279 D CA 1.044 55.071 54.000 0.046 0.000 0.986 279 D CB -1.517 39.474 40.800 0.318 0.000 1.118 279 D HN 0.549 nan 8.370 nan 0.000 0.416 280 V N -0.141 119.668 119.914 -0.175 0.000 2.448 280 V HA 0.600 4.722 4.120 0.003 0.000 0.295 280 V C -0.590 175.371 176.094 -0.223 0.000 1.025 280 V CA -0.700 61.507 62.300 -0.155 0.000 0.859 280 V CB 1.273 32.998 31.823 -0.163 0.000 0.988 280 V HN 0.039 nan 8.190 nan 0.000 0.431 281 Y N 4.351 124.633 120.300 -0.030 0.000 2.488 281 Y HA 0.858 5.410 4.550 0.003 0.000 0.325 281 Y C 0.595 176.513 175.900 0.029 0.000 1.204 281 Y CA -0.051 58.046 58.100 -0.004 0.000 1.229 281 Y CB 2.081 40.534 38.460 -0.011 0.000 1.274 281 Y HN 0.957 nan 8.280 nan 0.000 0.493 282 A N 2.466 125.400 122.820 0.191 0.000 2.449 282 A HA 0.859 5.181 4.320 0.003 0.000 0.302 282 A C -1.223 176.420 177.584 0.098 0.000 1.048 282 A CA -0.626 51.510 52.037 0.165 0.000 0.708 282 A CB 0.932 20.007 19.000 0.125 0.000 1.274 282 A HN 0.748 nan 8.150 nan 0.000 0.410 283 I N -1.172 119.437 120.570 0.066 0.000 2.994 283 I HA 0.925 5.097 4.170 0.003 0.000 0.306 283 I C 0.418 176.524 176.117 -0.018 0.000 1.195 283 I CA -0.208 61.083 61.300 -0.014 0.000 1.001 283 I CB 2.015 39.980 38.000 -0.059 0.000 1.244 283 I HN 1.986 nan 8.210 nan 0.000 0.437 284 G N 3.085 111.852 108.800 -0.056 0.000 2.542 284 G HA2 -0.231 3.731 3.960 0.003 0.000 0.235 284 G HA3 -0.231 3.731 3.960 0.003 0.000 0.235 284 G C 0.044 174.936 174.900 -0.015 0.000 1.286 284 G CA 0.539 45.611 45.100 -0.046 0.000 0.904 284 G HN 0.824 nan 8.290 nan 0.000 0.577 285 D N -0.171 120.221 120.400 -0.013 0.000 2.228 285 D HA -0.135 4.507 4.640 0.003 0.000 0.203 285 D C 2.521 178.835 176.300 0.023 0.000 0.988 285 D CA 2.250 56.249 54.000 -0.000 0.000 0.864 285 D CB -0.568 40.227 40.800 -0.007 0.000 0.928 285 D HN 0.985 nan 8.370 nan 0.000 0.469 286 C N -0.355 118.971 119.300 0.045 0.000 2.618 286 C HA 0.633 5.095 4.460 0.003 0.000 0.264 286 C C 1.119 176.154 174.990 0.076 0.000 1.334 286 C CA -0.487 58.578 59.018 0.078 0.000 1.731 286 C CB -0.940 26.889 27.740 0.148 0.000 1.852 286 C HN 0.123 nan 8.230 nan 0.000 0.566 287 A N 1.179 124.038 122.820 0.064 0.000 2.287 287 A HA 0.775 5.097 4.320 0.003 0.000 0.317 287 A C 0.216 177.848 177.584 0.081 0.000 1.220 287 A CA 0.344 52.420 52.037 0.066 0.000 0.835 287 A CB 0.324 19.360 19.000 0.060 0.000 1.180 287 A HN 1.022 nan 8.150 nan 0.000 0.500 288 A N 2.513 125.381 122.820 0.080 0.000 2.327 288 A HA 0.649 4.971 4.320 0.003 0.000 0.283 288 A C -0.116 177.571 177.584 0.171 0.000 1.127 288 A CA -0.204 51.891 52.037 0.097 0.000 0.810 288 A CB 0.207 19.241 19.000 0.055 0.000 1.066 288 A HN 1.056 nan 8.150 nan 0.000 0.492 289 H N 1.110 120.212 119.070 0.054 0.000 2.974 289 H HA 0.545 5.103 4.556 0.003 0.000 0.366 289 H C -0.421 174.931 175.328 0.041 0.000 1.155 289 H CA -0.359 55.729 56.048 0.066 0.000 1.186 289 H CB 1.680 31.524 29.762 0.137 0.000 1.799 289 H HN 0.907 nan 8.280 nan 0.000 0.541 290 A N 3.693 126.256 122.820 -0.428 0.000 2.520 290 A HA 0.094 4.416 4.320 0.003 0.000 0.245 290 A C -0.090 177.081 177.584 -0.689 0.000 1.072 290 A CA 0.167 51.942 52.037 -0.437 0.000 0.761 290 A CB -0.360 18.481 19.000 -0.265 0.000 1.004 290 A HN 0.767 nan 8.150 nan 0.000 0.499 291 N N 1.425 119.923 118.700 -0.337 0.000 2.399 291 N HA 0.264 5.006 4.740 0.003 0.000 0.284 291 N C 0.052 175.476 175.510 -0.143 0.000 1.025 291 N CA -0.685 52.226 53.050 -0.231 0.000 0.885 291 N CB 1.232 39.665 38.487 -0.090 0.000 1.339 291 N HN 0.571 nan 8.380 nan 0.000 0.487 292 D N 2.108 122.411 120.400 -0.163 0.000 2.123 292 D HA -0.162 4.480 4.640 0.003 0.000 0.196 292 D C 0.814 176.943 176.300 -0.284 0.000 0.992 292 D CA 1.501 55.352 54.000 -0.248 0.000 0.833 292 D CB -0.017 40.566 40.800 -0.361 0.000 0.954 292 D HN 0.578 nan 8.370 nan 0.000 0.455 293 F N 0.312 120.216 119.950 -0.076 0.000 2.802 293 F HA 0.152 4.681 4.527 0.003 0.000 0.300 293 F C 1.616 177.393 175.800 -0.038 0.000 1.168 293 F CA 0.130 58.105 58.000 -0.042 0.000 1.433 293 F CB 0.121 39.106 39.000 -0.025 0.000 1.115 293 F HN -0.126 nan 8.300 nan 0.000 0.582 294 A N -0.372 122.483 122.820 0.059 0.000 2.643 294 A HA 0.306 4.628 4.320 0.003 0.000 0.295 294 A C 0.474 178.042 177.584 -0.026 0.000 1.065 294 A CA -0.199 51.849 52.037 0.018 0.000 0.986 294 A CB -0.512 18.492 19.000 0.006 0.000 1.212 294 A HN 0.260 nan 8.150 nan 0.000 0.516 295 D N -1.511 118.860 120.400 -0.049 0.000 2.811 295 D HA -0.196 4.446 4.640 0.003 0.000 0.231 295 D C 1.229 177.488 176.300 -0.069 0.000 1.157 295 D CA 2.388 56.351 54.000 -0.063 0.000 0.716 295 D CB -1.135 39.642 40.800 -0.038 0.000 1.077 295 D HN 1.532 nan 8.370 nan 0.000 0.428 296 G N -2.133 106.613 108.800 -0.089 0.000 2.217 296 G HA2 -0.114 3.848 3.960 0.003 0.000 0.246 296 G HA3 -0.114 3.848 3.960 0.003 0.000 0.246 296 G C 0.583 175.430 174.900 -0.087 0.000 0.990 296 G CA 0.490 45.533 45.100 -0.095 0.000 0.627 296 G HN 1.361 nan 8.290 nan 0.000 0.522 297 A N 0.282 123.062 122.820 -0.068 0.000 2.498 297 A HA 0.554 4.876 4.320 0.003 0.000 0.239 297 A C 0.774 178.318 177.584 -0.066 0.000 1.068 297 A CA 0.616 52.620 52.037 -0.054 0.000 0.766 297 A CB 0.652 19.630 19.000 -0.038 0.000 1.003 297 A HN 1.188 nan 8.150 nan 0.000 0.497 298 V N 4.664 124.548 119.914 -0.050 0.000 2.387 298 V HA 0.279 4.401 4.120 0.003 0.000 0.260 298 V C 0.424 176.508 176.094 -0.017 0.000 1.054 298 V CA 0.443 62.720 62.300 -0.039 0.000 0.967 298 V CB -0.843 30.971 31.823 -0.015 0.000 1.036 298 V HN 0.681 nan 8.190 nan 0.000 0.481 299 I N 2.397 122.962 120.570 -0.009 0.000 3.023 299 I HA 0.741 4.913 4.170 0.003 0.000 0.312 299 I C -0.130 176.010 176.117 0.039 0.000 1.056 299 I CA -1.307 59.997 61.300 0.007 0.000 1.033 299 I CB 2.088 40.087 38.000 -0.002 0.000 1.233 299 I HN 0.345 nan 8.210 nan 0.000 0.462 300 R N 2.995 123.511 120.500 0.027 0.000 2.415 300 R HA 0.552 4.894 4.340 0.003 0.000 0.292 300 R C -1.462 174.849 176.300 0.019 0.000 1.295 300 R CA -0.588 55.534 56.100 0.037 0.000 1.137 300 R CB 0.859 31.174 30.300 0.025 0.000 1.135 300 R HN 0.694 nan 8.270 nan 0.000 0.560 301 L N 3.091 124.337 121.223 0.037 0.000 2.416 301 L HA 0.160 4.502 4.340 0.003 0.000 0.272 301 L C 0.295 177.160 176.870 -0.008 0.000 1.161 301 L CA 0.480 55.325 54.840 0.008 0.000 0.845 301 L CB 0.919 43.002 42.059 0.040 0.000 1.119 301 L HN 0.496 nan 8.230 nan 0.000 0.464 302 E N 2.662 122.841 120.200 -0.036 0.000 2.751 302 E HA 0.248 4.600 4.350 0.003 0.000 0.219 302 E C -0.951 175.662 176.600 0.023 0.000 1.060 302 E CA -0.282 56.103 56.400 -0.024 0.000 0.893 302 E CB 1.041 30.723 29.700 -0.031 0.000 1.300 302 E HN 0.627 nan 8.360 nan 0.000 0.433 303 S N -1.193 114.507 115.700 0.000 0.000 2.607 303 S HA 0.296 4.768 4.470 0.003 0.000 0.273 303 S C 0.757 175.240 174.600 -0.196 0.000 1.148 303 S CA -0.813 57.388 58.200 0.003 0.000 0.833 303 S CB 1.492 64.771 63.200 0.131 0.000 1.130 303 S HN 0.041 nan 8.310 nan 0.000 0.470 304 V N 1.826 121.536 119.914 -0.339 0.000 2.343 304 V HA -0.176 3.946 4.120 0.003 0.000 0.247 304 V C 2.994 178.901 176.094 -0.311 0.000 1.051 304 V CA 2.308 64.378 62.300 -0.383 0.000 1.036 304 V CB -0.917 30.701 31.823 -0.342 0.000 0.654 304 V HN 1.002 nan 8.190 nan 0.000 0.451 305 Q N 1.089 120.590 119.800 -0.498 0.000 2.077 305 Q HA -0.298 4.044 4.340 0.003 0.000 0.206 305 Q C 2.151 177.968 176.000 -0.306 0.000 0.989 305 Q CA 2.544 57.956 55.803 -0.651 0.000 0.853 305 Q CB -0.744 27.121 28.738 -1.456 0.000 0.907 305 Q HN 0.775 nan 8.270 nan 0.000 0.418 306 N N -0.297 118.267 118.700 -0.227 0.000 2.120 306 N HA -0.163 4.579 4.740 0.003 0.000 0.188 306 N C 1.807 177.194 175.510 -0.205 0.000 1.024 306 N CA 1.499 54.474 53.050 -0.124 0.000 0.852 306 N CB -0.062 38.407 38.487 -0.032 0.000 1.003 306 N HN 0.322 nan 8.380 nan 0.000 0.424 307 A N 1.472 124.193 122.820 -0.165 0.000 1.858 307 A HA -0.174 4.148 4.320 0.003 0.000 0.216 307 A C 2.034 179.543 177.584 -0.125 0.000 1.190 307 A CA 1.499 53.458 52.037 -0.131 0.000 0.617 307 A CB -0.767 18.184 19.000 -0.082 0.000 0.827 307 A HN 0.393 nan 8.150 nan 0.000 0.443 308 N N 0.822 119.463 118.700 -0.099 0.000 2.036 308 N HA -0.158 4.584 4.740 0.003 0.000 0.195 308 N C 1.198 176.655 175.510 -0.089 0.000 1.037 308 N CA 1.851 54.870 53.050 -0.052 0.000 0.855 308 N CB -0.534 37.949 38.487 -0.007 0.000 1.033 308 N HN 0.493 nan 8.380 nan 0.000 0.423 309 D N 0.032 120.343 120.400 -0.148 0.000 2.149 309 D HA -0.007 4.635 4.640 0.003 0.000 0.201 309 D C 1.988 178.044 176.300 -0.407 0.000 0.972 309 D CA 0.579 54.474 54.000 -0.175 0.000 0.835 309 D CB -0.145 40.645 40.800 -0.017 0.000 0.966 309 D HN 0.321 nan 8.370 nan 0.000 0.476 310 M N 0.514 119.761 119.600 -0.588 0.000 2.175 310 M HA -0.048 4.434 4.480 0.003 0.000 0.264 310 M C 2.295 178.450 176.300 -0.241 0.000 1.063 310 M CA 0.960 55.954 55.300 -0.510 0.000 1.119 310 M CB -0.100 32.232 32.600 -0.448 0.000 1.377 310 M HN -0.041 nan 8.290 nan 0.000 0.415 311 A N 0.150 122.863 122.820 -0.178 0.000 1.908 311 A HA -0.164 4.158 4.320 0.003 0.000 0.218 311 A C 2.186 179.710 177.584 -0.100 0.000 1.181 311 A CA 2.324 54.291 52.037 -0.117 0.000 0.627 311 A CB -1.178 17.778 19.000 -0.073 0.000 0.818 311 A HN 0.436 nan 8.150 nan 0.000 0.445 312 T N 0.275 114.783 114.554 -0.076 0.000 2.652 312 T HA -0.062 4.290 4.350 0.003 0.000 0.267 312 T C 2.243 176.930 174.700 -0.022 0.000 1.039 312 T CA 1.832 63.915 62.100 -0.029 0.000 1.153 312 T CB -0.514 68.359 68.868 0.009 0.000 0.863 312 T HN 0.617 nan 8.240 nan 0.000 0.428 313 A N 1.318 124.123 122.820 -0.025 0.000 1.933 313 A HA 0.157 4.479 4.320 0.003 0.000 0.218 313 A C 2.625 180.229 177.584 0.033 0.000 1.175 313 A CA 1.866 53.930 52.037 0.045 0.000 0.628 313 A CB -1.070 17.959 19.000 0.048 0.000 0.814 313 A HN 0.512 nan 8.150 nan 0.000 0.444 314 A N -0.146 122.624 122.820 -0.084 0.000 1.902 314 A HA 0.175 4.497 4.320 0.003 0.000 0.217 314 A C 2.512 179.853 177.584 -0.405 0.000 1.181 314 A CA 2.088 53.945 52.037 -0.300 0.000 0.623 314 A CB -1.007 17.769 19.000 -0.373 0.000 0.818 314 A HN 1.012 nan 8.150 nan 0.000 0.443 315 A N -0.187 122.483 122.820 -0.250 0.000 1.873 315 A HA -0.143 4.179 4.320 0.003 0.000 0.215 315 A C 2.117 179.635 177.584 -0.110 0.000 1.186 315 A CA 1.759 53.669 52.037 -0.211 0.000 0.616 315 A CB -0.469 18.452 19.000 -0.131 0.000 0.823 315 A HN 0.515 nan 8.150 nan 0.000 0.442 316 K N -0.650 119.733 120.400 -0.030 0.000 2.063 316 K HA -0.222 4.100 4.320 0.003 0.000 0.208 316 K C 1.832 178.455 176.600 0.039 0.000 1.048 316 K CA 1.729 58.036 56.287 0.033 0.000 0.928 316 K CB -0.273 32.273 32.500 0.078 0.000 0.713 316 K HN 0.573 nan 8.250 nan 0.000 0.442 317 D N 0.866 121.292 120.400 0.043 0.000 2.117 317 D HA -0.116 4.526 4.640 0.003 0.000 0.197 317 D C 1.737 178.059 176.300 0.038 0.000 0.987 317 D CA 0.972 55.001 54.000 0.050 0.000 0.829 317 D CB 0.021 40.917 40.800 0.160 0.000 0.961 317 D HN 0.100 nan 8.370 nan 0.000 0.460 318 I N -0.152 120.387 120.570 -0.052 0.000 2.361 318 I HA -0.271 3.901 4.170 0.003 0.000 0.251 318 I C 1.820 177.986 176.117 0.081 0.000 1.133 318 I CA 0.541 61.816 61.300 -0.042 0.000 1.413 318 I CB -0.068 37.756 38.000 -0.293 0.000 1.073 318 I HN 0.245 nan 8.210 nan 0.000 0.424 319 C N 0.706 120.053 119.300 0.080 0.000 2.562 319 C HA 0.263 4.725 4.460 0.003 0.000 0.266 319 C C 1.858 176.916 174.990 0.113 0.000 1.382 319 C CA 0.530 59.648 59.018 0.165 0.000 1.742 319 C CB -1.104 26.720 27.740 0.140 0.000 1.812 319 C HN 0.798 nan 8.230 nan 0.000 0.559 320 G N 0.250 109.096 108.800 0.076 0.000 2.141 320 G HA2 -0.052 3.910 3.960 0.003 0.000 0.242 320 G HA3 -0.052 3.910 3.960 0.003 0.000 0.242 320 G C 0.130 175.051 174.900 0.035 0.000 0.982 320 G CA 0.242 45.371 45.100 0.048 0.000 0.662 320 G HN 0.996 nan 8.290 nan 0.000 0.527 321 A N 0.789 123.636 122.820 0.045 0.000 3.248 321 A HA 0.735 5.057 4.320 0.003 0.000 0.315 321 A C -1.766 175.859 177.584 0.070 0.000 0.974 321 A CA -0.867 51.200 52.037 0.050 0.000 0.939 321 A CB 0.837 19.872 19.000 0.057 0.000 1.061 321 A HN 0.249 nan 8.150 nan 0.000 0.481 322 P HA 0.246 nan 4.420 nan 0.000 0.268 322 P C -0.470 176.983 177.300 0.256 0.000 1.204 322 P CA 0.352 63.530 63.100 0.130 0.000 0.768 322 P CB 1.430 33.053 31.700 -0.127 0.000 0.842 323 V N 5.774 125.876 119.914 0.312 0.000 2.482 323 V HA 0.272 4.394 4.120 0.003 0.000 0.295 323 V C -2.203 174.034 176.094 0.239 0.000 1.026 323 V CA -1.971 60.484 62.300 0.259 0.000 0.856 323 V CB 1.664 33.583 31.823 0.161 0.000 1.001 323 V HN 0.463 nan 8.190 nan 0.000 0.424 324 P HA -0.007 nan 4.420 nan 0.000 0.267 324 P C -0.809 176.517 177.300 0.044 0.000 1.200 324 P CA -0.070 62.953 63.100 -0.127 0.000 0.772 324 P CB 0.197 31.792 31.700 -0.175 0.000 0.855 325 Y N 3.628 123.861 120.300 -0.112 0.000 2.640 325 Y HA 0.097 4.649 4.550 0.004 0.000 0.355 325 Y C 0.614 176.563 175.900 0.082 0.000 1.088 325 Y CA 0.071 58.161 58.100 -0.016 0.000 1.443 325 Y CB -0.174 38.232 38.460 -0.090 0.000 1.224 325 Y HN 0.198 nan 8.280 nan 0.000 0.516 326 K N 4.541 124.918 120.400 -0.038 0.000 2.501 326 K HA 0.361 4.683 4.320 0.003 0.000 0.204 326 K C 0.279 176.888 176.600 0.016 0.000 1.067 326 K CA 0.043 56.287 56.287 -0.072 0.000 1.060 326 K CB 0.496 33.001 32.500 0.007 0.000 0.873 326 K HN 0.589 nan 8.250 nan 0.000 0.540 327 A N 1.404 124.233 122.820 0.014 0.000 2.425 327 A HA 0.238 4.560 4.320 0.003 0.000 0.242 327 A C 0.196 177.819 177.584 0.064 0.000 1.077 327 A CA 0.321 52.439 52.037 0.135 0.000 0.781 327 A CB 0.040 19.204 19.000 0.274 0.000 1.020 327 A HN 0.149 nan 8.150 nan 0.000 0.494 328 T N 4.111 118.681 114.554 0.028 0.000 2.814 328 T HA 0.417 4.769 4.350 0.003 0.000 0.297 328 T C -2.446 172.173 174.700 -0.134 0.000 0.956 328 T CA -0.439 61.462 62.100 -0.333 0.000 1.123 328 T CB 0.443 69.146 68.868 -0.276 0.000 0.902 328 T HN 0.464 nan 8.240 nan 0.000 0.528 329 P HA 0.221 nan 4.420 nan 0.000 0.271 329 P C -0.498 176.867 177.300 0.109 0.000 1.216 329 P CA -0.430 62.614 63.100 -0.092 0.000 0.771 329 P CB 0.421 32.061 31.700 -0.101 0.000 0.864 330 W N 2.915 124.278 121.300 0.105 0.000 3.075 330 W HA 0.738 5.400 4.660 0.004 0.000 0.334 330 W C -2.440 174.279 176.519 0.334 0.000 1.243 330 W CA -0.980 56.495 57.345 0.216 0.000 1.170 330 W CB 0.760 30.372 29.460 0.253 0.000 1.452 330 W HN 0.291 nan 8.180 nan 0.000 0.572 331 F N 1.373 121.610 119.950 0.479 0.000 2.713 331 F HA 0.650 5.179 4.527 0.003 0.000 0.311 331 F C -1.799 174.194 175.800 0.323 0.000 1.141 331 F CA -0.894 57.245 58.000 0.233 0.000 0.939 331 F CB 1.673 40.659 39.000 -0.023 0.000 1.325 331 F HN 0.556 nan 8.300 nan 0.000 0.453 332 W N 2.022 122.982 121.300 -0.566 0.000 3.118 332 W HA 0.779 5.441 4.660 0.003 0.000 0.328 332 W C -2.057 174.148 176.519 -0.522 0.000 1.239 332 W CA -1.240 55.867 57.345 -0.396 0.000 1.176 332 W CB 1.341 30.628 29.460 -0.288 0.000 1.433 332 W HN 0.575 nan 8.180 nan 0.000 0.562 333 S N 1.529 117.102 115.700 -0.212 0.000 2.575 333 S HA 0.497 4.969 4.470 0.003 0.000 0.278 333 S C -1.680 172.940 174.600 0.033 0.000 1.139 333 S CA -0.775 57.279 58.200 -0.244 0.000 0.954 333 S CB 0.646 63.609 63.200 -0.395 0.000 1.054 333 S HN 0.561 nan 8.310 nan 0.000 0.483 334 N N 3.218 121.954 118.700 0.061 0.000 2.476 334 N HA 0.445 5.187 4.740 0.003 0.000 0.257 334 N C -1.400 174.139 175.510 0.048 0.000 0.970 334 N CA -0.562 52.551 53.050 0.105 0.000 0.938 334 N CB 1.541 40.106 38.487 0.131 0.000 1.144 334 N HN 0.512 nan 8.380 nan 0.000 0.500 335 Q N 2.102 121.943 119.800 0.069 0.000 2.304 335 Q HA 0.355 4.697 4.340 0.003 0.000 0.270 335 Q C -0.655 175.292 176.000 -0.089 0.000 1.035 335 Q CA -0.758 54.981 55.803 -0.107 0.000 0.781 335 Q CB 1.887 30.639 28.738 0.023 0.000 1.261 335 Q HN 0.577 nan 8.270 nan 0.000 0.444 336 Y N 0.400 120.661 120.300 -0.065 0.000 2.864 336 Y HA -0.445 4.108 4.550 0.004 0.000 0.468 336 Y C 1.110 177.005 175.900 -0.009 0.000 1.175 336 Y CA 1.549 59.579 58.100 -0.118 0.000 2.601 336 Y CB -0.885 37.382 38.460 -0.321 0.000 1.207 336 Y HN 0.827 nan 8.280 nan 0.000 0.627 337 D N 1.271 121.809 120.400 0.229 0.000 2.427 337 D HA 0.235 4.877 4.640 0.003 0.000 0.224 337 D C -0.623 175.778 176.300 0.167 0.000 1.157 337 D CA 0.274 54.368 54.000 0.157 0.000 0.828 337 D CB -0.609 40.272 40.800 0.135 0.000 0.974 337 D HN 0.384 nan 8.370 nan 0.000 0.498 338 L N 0.356 121.707 121.223 0.213 0.000 2.276 338 L HA 0.397 4.739 4.340 0.003 0.000 0.286 338 L C 0.091 177.093 176.870 0.220 0.000 1.024 338 L CA -0.652 54.338 54.840 0.249 0.000 0.826 338 L CB 1.347 43.620 42.059 0.357 0.000 1.211 338 L HN -0.305 nan 8.230 nan 0.000 0.422 339 K N 5.072 125.561 120.400 0.148 0.000 2.357 339 K HA 0.419 4.741 4.320 0.003 0.000 0.251 339 K C -0.752 175.886 176.600 0.064 0.000 1.069 339 K CA -0.369 55.976 56.287 0.096 0.000 0.994 339 K CB 1.602 34.123 32.500 0.035 0.000 1.411 339 K HN 0.500 nan 8.250 nan 0.000 0.450 340 L N 3.045 124.337 121.223 0.114 0.000 2.331 340 L HA 0.193 4.535 4.340 0.003 0.000 0.278 340 L C -0.607 176.251 176.870 -0.020 0.000 1.106 340 L CA -0.040 54.845 54.840 0.076 0.000 0.824 340 L CB 0.881 43.033 42.059 0.156 0.000 1.142 340 L HN 0.604 nan 8.230 nan 0.000 0.443 341 Q N 3.311 123.035 119.800 -0.127 0.000 2.304 341 Q HA 0.411 4.753 4.340 0.003 0.000 0.270 341 Q C -1.275 174.661 176.000 -0.108 0.000 1.035 341 Q CA -0.594 54.998 55.803 -0.350 0.000 0.781 341 Q CB 2.624 30.739 28.738 -1.038 0.000 1.261 341 Q HN 0.547 nan 8.270 nan 0.000 0.444 342 T N 1.231 115.860 114.554 0.125 0.000 2.863 342 T HA 0.587 4.939 4.350 0.003 0.000 0.285 342 T C -1.282 173.718 174.700 0.500 0.000 1.009 342 T CA -0.586 61.700 62.100 0.310 0.000 0.989 342 T CB 1.836 70.864 68.868 0.267 0.000 1.004 342 T HN 0.322 nan 8.240 nan 0.000 0.455 343 V N 2.221 122.372 119.914 0.394 0.000 2.760 343 V HA 0.846 4.968 4.120 0.003 0.000 0.309 343 V C 0.086 176.260 176.094 0.132 0.000 1.077 343 V CA 0.795 63.268 62.300 0.289 0.000 0.910 343 V CB 1.010 32.917 31.823 0.141 0.000 1.008 343 V HN 1.375 nan 8.190 nan 0.000 0.424 344 G N 4.813 113.625 108.800 0.020 0.000 2.828 344 G HA2 -0.123 3.839 3.960 0.003 0.000 0.463 344 G HA3 -0.123 3.839 3.960 0.003 0.000 0.463 344 G C -1.166 173.738 174.900 0.008 0.000 1.394 344 G CA -0.158 44.914 45.100 -0.047 0.000 0.862 344 G HN 1.293 nan 8.290 nan 0.000 0.540 345 L N 0.811 122.052 121.223 0.030 0.000 2.319 345 L HA 0.467 4.809 4.340 0.003 0.000 0.281 345 L C 1.569 178.427 176.870 -0.020 0.000 1.005 345 L CA -0.194 54.648 54.840 0.003 0.000 0.828 345 L CB 1.920 43.998 42.059 0.031 0.000 1.227 345 L HN 0.882 nan 8.230 nan 0.000 0.415 346 S N -0.560 115.053 115.700 -0.145 0.000 2.489 346 S HA -0.036 4.436 4.470 0.003 0.000 0.228 346 S C 0.857 175.467 174.600 0.018 0.000 0.995 346 S CA -0.140 57.903 58.200 -0.263 0.000 0.934 346 S CB -0.465 62.150 63.200 -0.974 0.000 0.771 346 S HN 0.642 nan 8.310 nan 0.000 0.522 347 T N 2.836 117.385 114.554 -0.008 0.000 2.800 347 T HA 0.398 4.750 4.350 0.003 0.000 0.283 347 T C 1.311 176.023 174.700 0.020 0.000 0.999 347 T CA 0.895 62.999 62.100 0.007 0.000 1.176 347 T CB -0.069 68.786 68.868 -0.021 0.000 0.973 347 T HN 0.973 nan 8.240 nan 0.000 0.519 348 G N 2.737 111.519 108.800 -0.030 0.000 2.141 348 G HA2 -0.236 3.726 3.960 0.003 0.000 0.242 348 G HA3 -0.236 3.726 3.960 0.003 0.000 0.242 348 G C -0.051 174.837 174.900 -0.020 0.000 0.982 348 G CA 0.248 45.320 45.100 -0.046 0.000 0.662 348 G HN 1.305 nan 8.290 nan 0.000 0.527 349 H N -0.401 118.692 119.070 0.039 0.000 2.790 349 H HA 0.536 5.094 4.556 0.003 0.000 0.358 349 H C 0.961 176.343 175.328 0.089 0.000 1.103 349 H CA 0.115 56.218 56.048 0.091 0.000 1.426 349 H CB 0.860 30.730 29.762 0.179 0.000 1.424 349 H HN 0.235 nan 8.280 nan 0.000 0.599 350 D N -0.040 120.456 120.400 0.161 0.000 2.441 350 D HA 0.082 4.724 4.640 0.003 0.000 0.210 350 D C -0.312 176.094 176.300 0.176 0.000 1.102 350 D CA -0.243 53.813 54.000 0.093 0.000 0.840 350 D CB 0.246 41.080 40.800 0.057 0.000 0.990 350 D HN 0.454 nan 8.370 nan 0.000 0.505 351 N N 0.056 118.932 118.700 0.293 0.000 2.369 351 N HA 0.577 5.319 4.740 0.003 0.000 0.287 351 N C -1.972 173.656 175.510 0.197 0.000 1.067 351 N CA -0.565 52.614 53.050 0.215 0.000 0.888 351 N CB 2.137 40.694 38.487 0.116 0.000 1.616 351 N HN 0.103 nan 8.380 nan 0.000 0.482 352 A N 2.685 125.560 122.820 0.093 0.000 2.323 352 A HA 0.549 4.871 4.320 0.003 0.000 0.305 352 A C -0.922 176.573 177.584 -0.147 0.000 1.275 352 A CA -0.526 51.415 52.037 -0.160 0.000 0.804 352 A CB 0.441 19.334 19.000 -0.178 0.000 1.152 352 A HN 0.366 nan 8.150 nan 0.000 0.487 353 V N 4.178 123.989 119.914 -0.172 0.000 2.406 353 V HA 0.217 4.339 4.120 0.003 0.000 0.272 353 V C 0.431 176.461 176.094 -0.106 0.000 1.043 353 V CA -0.372 61.870 62.300 -0.096 0.000 0.915 353 V CB 1.236 33.026 31.823 -0.055 0.000 0.988 353 V HN 0.821 nan 8.190 nan 0.000 0.466 354 L N 6.130 127.317 121.223 -0.060 0.000 2.360 354 L HA 0.408 4.750 4.340 0.003 0.000 0.276 354 L C 0.587 177.455 176.870 -0.003 0.000 1.121 354 L CA -0.028 54.798 54.840 -0.023 0.000 0.845 354 L CB 0.521 42.560 42.059 -0.034 0.000 1.143 354 L HN 0.671 nan 8.230 nan 0.000 0.452 355 R N 4.447 124.970 120.500 0.039 0.000 2.363 355 R HA 0.545 4.887 4.340 0.003 0.000 0.297 355 R C -0.275 176.069 176.300 0.073 0.000 1.208 355 R CA 0.401 56.523 56.100 0.036 0.000 1.121 355 R CB 0.757 31.068 30.300 0.018 0.000 1.124 355 R HN 0.882 nan 8.270 nan 0.000 0.561 356 G N 2.150 110.976 108.800 0.043 0.000 2.466 356 G HA2 -0.196 3.766 3.960 0.003 0.000 0.316 356 G HA3 -0.196 3.766 3.960 0.003 0.000 0.316 356 G C -1.701 173.193 174.900 -0.009 0.000 1.270 356 G CA -0.397 44.730 45.100 0.045 0.000 0.982 356 G HN 0.533 nan 8.290 nan 0.000 0.506 357 D N 0.291 120.672 120.400 -0.031 0.000 2.440 357 D HA 0.628 5.270 4.640 0.003 0.000 0.239 357 D C -1.217 174.930 176.300 -0.255 0.000 1.084 357 D CA -2.119 51.806 54.000 -0.125 0.000 0.843 357 D CB 1.924 42.687 40.800 -0.062 0.000 1.097 357 D HN -0.005 nan 8.370 nan 0.000 0.531 358 P HA -0.087 nan 4.420 nan 0.000 0.219 358 P C 0.965 178.112 177.300 -0.256 0.000 1.146 358 P CA 0.969 63.490 63.100 -0.966 0.000 0.808 358 P CB 0.284 31.411 31.700 -0.955 0.000 0.779 359 A N -0.370 122.381 122.820 -0.115 0.000 2.019 359 A HA -0.154 4.168 4.320 0.003 0.000 0.219 359 A C 2.097 179.708 177.584 0.045 0.000 1.164 359 A CA 2.136 54.175 52.037 0.004 0.000 0.644 359 A CB -1.785 17.205 19.000 -0.018 0.000 0.805 359 A HN 0.352 nan 8.150 nan 0.000 0.449 360 T N -3.964 110.606 114.554 0.027 0.000 3.113 360 T HA 0.113 4.465 4.350 0.003 0.000 0.256 360 T C 0.814 175.584 174.700 0.116 0.000 1.131 360 T CA 0.544 62.680 62.100 0.059 0.000 1.074 360 T CB -0.344 68.549 68.868 0.042 0.000 0.944 360 T HN 0.581 nan 8.240 nan 0.000 0.516 361 R N -0.289 120.318 120.500 0.177 0.000 3.875 361 R HA -0.127 4.215 4.340 0.003 0.000 0.321 361 R C -0.148 176.280 176.300 0.213 0.000 1.196 361 R CA 0.824 57.111 56.100 0.311 0.000 0.868 361 R CB -2.682 27.825 30.300 0.344 0.000 1.333 361 R HN 0.490 nan 8.270 nan 0.000 0.522 362 S N 0.114 115.932 115.700 0.197 0.000 2.737 362 S HA 0.690 5.162 4.470 0.003 0.000 0.269 362 S C -0.752 173.953 174.600 0.176 0.000 1.150 362 S CA -0.700 57.563 58.200 0.104 0.000 1.077 362 S CB 0.655 63.892 63.200 0.062 0.000 1.075 362 S HN 0.393 nan 8.310 nan 0.000 0.476 363 F N 0.791 120.655 119.950 -0.144 0.000 2.926 363 F HA 0.847 5.376 4.527 0.003 0.000 0.321 363 F C -1.025 174.714 175.800 -0.102 0.000 1.168 363 F CA -0.899 57.021 58.000 -0.133 0.000 0.890 363 F CB 0.776 39.660 39.000 -0.194 0.000 1.357 363 F HN 0.289 nan 8.300 nan 0.000 0.468 364 S N 0.401 116.082 115.700 -0.031 0.000 2.569 364 S HA 0.787 5.259 4.470 0.003 0.000 0.280 364 S C -1.595 173.022 174.600 0.029 0.000 1.111 364 S CA -0.776 57.359 58.200 -0.110 0.000 0.887 364 S CB 2.246 65.418 63.200 -0.046 0.000 1.095 364 S HN 0.624 nan 8.310 nan 0.000 0.476 365 V N 2.425 122.310 119.914 -0.050 0.000 2.409 365 V HA 0.472 4.594 4.120 0.003 0.000 0.291 365 V C -0.636 175.284 176.094 -0.291 0.000 1.020 365 V CA -0.647 61.539 62.300 -0.189 0.000 0.848 365 V CB 1.605 33.250 31.823 -0.297 0.000 0.990 365 V HN 0.682 nan 8.190 nan 0.000 0.430 366 V N 5.736 125.490 119.914 -0.267 0.000 2.350 366 V HA 0.415 4.537 4.120 0.003 0.000 0.276 366 V C -0.728 175.218 176.094 -0.247 0.000 1.028 366 V CA -0.684 61.524 62.300 -0.153 0.000 0.860 366 V CB 0.786 32.581 31.823 -0.047 0.000 0.990 366 V HN 0.713 nan 8.190 nan 0.000 0.453 367 Y N 5.310 125.594 120.300 -0.026 0.000 2.323 367 Y HA 0.692 5.244 4.550 0.004 0.000 0.331 367 Y C -0.029 175.885 175.900 0.024 0.000 1.092 367 Y CA -0.568 57.493 58.100 -0.065 0.000 1.150 367 Y CB 1.330 39.698 38.460 -0.153 0.000 1.200 367 Y HN 0.444 nan 8.280 nan 0.000 0.472 368 L N 3.241 124.584 121.223 0.200 0.000 2.341 368 L HA 0.608 4.950 4.340 0.003 0.000 0.267 368 L C -0.689 176.294 176.870 0.188 0.000 1.009 368 L CA -0.938 53.999 54.840 0.162 0.000 0.819 368 L CB 2.122 44.243 42.059 0.104 0.000 1.323 368 L HN 0.480 nan 8.230 nan 0.000 0.425 369 K N 0.704 121.187 120.400 0.137 0.000 2.541 369 K HA 0.519 4.841 4.320 0.003 0.000 0.250 369 K C 0.211 176.854 176.600 0.071 0.000 0.950 369 K CA -0.128 56.225 56.287 0.110 0.000 0.805 369 K CB 1.587 34.151 32.500 0.106 0.000 1.166 369 K HN 0.749 nan 8.250 nan 0.000 0.430 370 G N 2.801 111.635 108.800 0.057 0.000 2.323 370 G HA2 -0.234 3.728 3.960 0.003 0.000 0.292 370 G HA3 -0.234 3.728 3.960 0.003 0.000 0.292 370 G C 0.762 175.685 174.900 0.038 0.000 1.040 370 G CA 0.769 45.892 45.100 0.039 0.000 0.942 370 G HN 1.467 nan 8.290 nan 0.000 0.506 371 G N -1.650 107.178 108.800 0.046 0.000 2.184 371 G HA2 -0.276 3.686 3.960 0.003 0.000 0.264 371 G HA3 -0.276 3.686 3.960 0.003 0.000 0.264 371 G C 0.352 175.278 174.900 0.043 0.000 0.975 371 G CA 1.226 46.350 45.100 0.041 0.000 0.642 371 G HN 1.175 nan 8.290 nan 0.000 0.536 372 K N 0.274 120.705 120.400 0.052 0.000 2.182 372 K HA 0.626 4.948 4.320 0.003 0.000 0.262 372 K C 0.214 176.861 176.600 0.078 0.000 0.957 372 K CA -0.961 55.359 56.287 0.055 0.000 0.842 372 K CB 2.840 35.367 32.500 0.045 0.000 1.099 372 K HN 0.011 nan 8.250 nan 0.000 0.438 373 V N 3.696 123.657 119.914 0.079 0.000 2.485 373 V HA -0.051 4.071 4.120 0.003 0.000 0.287 373 V C 1.129 177.301 176.094 0.130 0.000 1.022 373 V CA 0.186 62.546 62.300 0.100 0.000 1.067 373 V CB 0.646 32.518 31.823 0.082 0.000 0.967 373 V HN 0.797 nan 8.190 nan 0.000 0.479 374 V N 2.035 122.046 119.914 0.161 0.000 3.455 374 V HA 0.788 4.910 4.120 0.003 0.000 0.250 374 V C 0.569 176.771 176.094 0.179 0.000 1.230 374 V CA 0.704 63.112 62.300 0.181 0.000 1.105 374 V CB 0.156 32.078 31.823 0.166 0.000 0.850 374 V HN 0.941 nan 8.190 nan 0.000 0.461 375 A N 0.181 123.119 122.820 0.197 0.000 2.610 375 A HA 0.801 5.123 4.320 0.003 0.000 0.291 375 A C -1.844 175.926 177.584 0.310 0.000 1.086 375 A CA -0.492 51.664 52.037 0.199 0.000 0.677 375 A CB 1.753 20.800 19.000 0.078 0.000 1.278 375 A HN 0.161 nan 8.150 nan 0.000 0.414 376 L N 1.354 122.746 121.223 0.282 0.000 2.431 376 L HA 0.494 4.836 4.340 0.003 0.000 0.266 376 L C -1.520 175.530 176.870 0.301 0.000 0.978 376 L CA -0.440 54.561 54.840 0.268 0.000 0.822 376 L CB 2.113 44.275 42.059 0.171 0.000 1.310 376 L HN 0.732 nan 8.230 nan 0.000 0.409 377 D N 1.911 122.489 120.400 0.297 0.000 2.344 377 D HA 0.365 5.007 4.640 0.003 0.000 0.239 377 D C -0.866 175.453 176.300 0.031 0.000 1.064 377 D CA 0.004 54.135 54.000 0.219 0.000 0.829 377 D CB 1.831 42.824 40.800 0.321 0.000 1.129 377 D HN 0.396 nan 8.370 nan 0.000 0.506 378 C N 3.136 122.434 119.300 -0.003 0.000 2.321 378 C HA 0.375 4.837 4.460 0.003 0.000 0.323 378 C C 0.343 175.217 174.990 -0.192 0.000 1.191 378 C CA -0.940 58.008 59.018 -0.116 0.000 1.455 378 C CB 0.278 28.020 27.740 0.003 0.000 2.083 378 C HN 0.300 nan 8.230 nan 0.000 0.442 379 V N 4.944 124.605 119.914 -0.423 0.000 2.408 379 V HA 0.248 4.370 4.120 0.003 0.000 0.267 379 V C 0.406 176.363 176.094 -0.229 0.000 1.047 379 V CA 0.008 62.100 62.300 -0.346 0.000 0.937 379 V CB 0.358 31.788 31.823 -0.656 0.000 0.999 379 V HN 0.958 nan 8.190 nan 0.000 0.472 380 N N 4.273 122.921 118.700 -0.086 0.000 2.707 380 N HA -0.189 4.553 4.740 0.003 0.000 0.253 380 N C -0.196 175.285 175.510 -0.050 0.000 0.998 380 N CA 0.663 53.689 53.050 -0.040 0.000 0.751 380 N CB -0.362 38.131 38.487 0.010 0.000 0.920 380 N HN 0.571 nan 8.380 nan 0.000 0.539 381 M N 0.222 119.784 119.600 -0.063 0.000 3.951 381 M HA 0.150 4.632 4.480 0.003 0.000 0.444 381 M C 0.916 177.219 176.300 0.005 0.000 1.957 381 M CA -0.292 54.985 55.300 -0.037 0.000 0.521 381 M CB 0.393 32.951 32.600 -0.070 0.000 1.436 381 M HN -0.002 nan 8.290 nan 0.000 0.525 382 V N 1.286 121.205 119.914 0.008 0.000 2.490 382 V HA -0.224 3.898 4.120 0.003 0.000 0.250 382 V C 2.033 178.173 176.094 0.078 0.000 1.061 382 V CA 2.572 64.905 62.300 0.056 0.000 1.064 382 V CB -0.166 31.663 31.823 0.012 0.000 0.670 382 V HN 0.755 nan 8.190 nan 0.000 0.461 383 K N -0.452 119.966 120.400 0.030 0.000 2.032 383 K HA -0.233 4.089 4.320 0.003 0.000 0.209 383 K C 1.878 178.487 176.600 0.014 0.000 1.048 383 K CA 2.221 58.515 56.287 0.011 0.000 0.927 383 K CB -0.324 32.176 32.500 0.001 0.000 0.712 383 K HN 0.518 nan 8.250 nan 0.000 0.441 384 D N -0.483 119.935 120.400 0.029 0.000 2.117 384 D HA -0.173 4.469 4.640 0.003 0.000 0.197 384 D C 1.667 178.001 176.300 0.056 0.000 0.987 384 D CA 0.943 54.961 54.000 0.031 0.000 0.829 384 D CB -0.306 40.509 40.800 0.025 0.000 0.961 384 D HN 0.288 nan 8.370 nan 0.000 0.460 385 Y N 1.540 121.815 120.300 -0.042 0.000 2.089 385 Y HA -0.236 4.316 4.550 0.003 0.000 0.282 385 Y C 2.213 178.076 175.900 -0.062 0.000 1.139 385 Y CA 1.256 59.330 58.100 -0.044 0.000 1.123 385 Y CB -0.622 37.805 38.460 -0.056 0.000 0.980 385 Y HN -0.196 nan 8.280 nan 0.000 0.493 386 V N 0.922 120.711 119.914 -0.208 0.000 2.255 386 V HA -0.370 3.752 4.120 0.003 0.000 0.247 386 V C 2.302 178.266 176.094 -0.217 0.000 1.051 386 V CA 2.539 64.663 62.300 -0.294 0.000 1.018 386 V CB -0.784 30.958 31.823 -0.135 0.000 0.641 386 V HN 0.503 nan 8.190 nan 0.000 0.445 387 Q N -0.288 119.441 119.800 -0.118 0.000 2.172 387 Q HA -0.058 4.284 4.340 0.003 0.000 0.200 387 Q C 2.373 178.329 176.000 -0.074 0.000 0.964 387 Q CA 1.287 57.042 55.803 -0.080 0.000 0.855 387 Q CB -0.468 28.244 28.738 -0.043 0.000 0.918 387 Q HN 0.725 nan 8.270 nan 0.000 0.444 388 G N 1.673 110.428 108.800 -0.074 0.000 2.450 388 G HA2 -0.305 3.657 3.960 0.003 0.000 0.220 388 G HA3 -0.305 3.657 3.960 0.003 0.000 0.220 388 G C 1.338 176.203 174.900 -0.058 0.000 1.130 388 G CA 0.900 45.975 45.100 -0.040 0.000 0.760 388 G HN 0.229 nan 8.290 nan 0.000 0.557 389 K N 0.543 120.855 120.400 -0.148 0.000 2.074 389 K HA -0.154 4.168 4.320 0.003 0.000 0.209 389 K C 2.473 179.041 176.600 -0.053 0.000 1.048 389 K CA 1.423 57.625 56.287 -0.142 0.000 0.926 389 K CB -0.090 32.257 32.500 -0.255 0.000 0.713 389 K HN 0.131 nan 8.250 nan 0.000 0.444 390 K N 0.282 120.651 120.400 -0.051 0.000 2.057 390 K HA -0.161 4.161 4.320 0.003 0.000 0.207 390 K C 2.154 178.766 176.600 0.019 0.000 1.049 390 K CA 1.101 57.381 56.287 -0.012 0.000 0.931 390 K CB -0.251 32.235 32.500 -0.023 0.000 0.714 390 K HN 0.127 nan 8.250 nan 0.000 0.440 391 L N 0.646 121.879 121.223 0.017 0.000 2.056 391 L HA -0.140 4.202 4.340 0.003 0.000 0.207 391 L C 2.417 179.331 176.870 0.073 0.000 1.078 391 L CA 1.089 55.951 54.840 0.038 0.000 0.749 391 L CB -0.674 41.403 42.059 0.031 0.000 0.901 391 L HN -0.117 nan 8.230 nan 0.000 0.433 392 V N -0.643 119.322 119.914 0.086 0.000 2.343 392 V HA -0.294 3.828 4.120 0.003 0.000 0.247 392 V C 2.401 178.655 176.094 0.265 0.000 1.051 392 V CA 1.773 64.167 62.300 0.156 0.000 1.036 392 V CB -0.451 31.435 31.823 0.104 0.000 0.654 392 V HN 0.482 nan 8.190 nan 0.000 0.451 393 E N 0.047 120.377 120.200 0.217 0.000 2.150 393 E HA -0.105 4.247 4.350 0.003 0.000 0.193 393 E C 2.154 178.832 176.600 0.131 0.000 0.985 393 E CA 1.128 57.681 56.400 0.255 0.000 0.814 393 E CB -0.283 29.523 29.700 0.175 0.000 0.752 393 E HN 0.593 nan 8.360 nan 0.000 0.466 394 A N 0.754 123.626 122.820 0.087 0.000 2.167 394 A HA -0.021 4.301 4.320 0.003 0.000 0.214 394 A C 0.668 178.275 177.584 0.040 0.000 1.151 394 A CA 0.174 52.240 52.037 0.048 0.000 0.735 394 A CB -0.131 18.891 19.000 0.036 0.000 0.802 394 A HN 0.099 nan 8.150 nan 0.000 0.467 395 R N -1.746 118.792 120.500 0.063 0.000 3.405 395 R HA -0.188 4.154 4.340 0.003 0.000 0.258 395 R C 0.316 176.642 176.300 0.042 0.000 1.030 395 R CA 0.708 56.840 56.100 0.052 0.000 0.691 395 R CB -2.736 27.572 30.300 0.013 0.000 1.093 395 R HN 0.759 nan 8.270 nan 0.000 0.448 396 A N 0.920 123.768 122.820 0.047 0.000 2.546 396 A HA 0.081 4.403 4.320 0.003 0.000 0.243 396 A C 0.375 177.979 177.584 0.033 0.000 1.063 396 A CA 0.245 52.302 52.037 0.034 0.000 0.757 396 A CB 0.183 19.203 19.000 0.032 0.000 0.991 396 A HN 0.404 nan 8.150 nan 0.000 0.503 397 Q N 1.774 121.589 119.800 0.025 0.000 2.503 397 Q HA 0.476 4.818 4.340 0.003 0.000 0.227 397 Q C -1.065 174.947 176.000 0.020 0.000 1.109 397 Q CA 0.308 56.124 55.803 0.023 0.000 0.922 397 Q CB 0.533 29.282 28.738 0.018 0.000 1.249 397 Q HN 0.678 nan 8.270 nan 0.000 0.530 398 I N 0.983 121.566 120.570 0.023 0.000 2.509 398 I HA 0.467 4.639 4.170 0.003 0.000 0.293 398 I C 0.044 176.172 176.117 0.018 0.000 1.020 398 I CA -1.173 60.138 61.300 0.018 0.000 1.088 398 I CB 1.888 39.898 38.000 0.017 0.000 1.267 398 I HN 0.431 nan 8.210 nan 0.000 0.430 399 A N 6.974 129.802 122.820 0.014 0.000 2.540 399 A HA 0.258 4.580 4.320 0.003 0.000 0.239 399 A C -1.743 175.848 177.584 0.012 0.000 1.061 399 A CA -0.743 51.302 52.037 0.013 0.000 0.758 399 A CB -0.271 18.736 19.000 0.010 0.000 0.991 399 A HN 0.582 nan 8.150 nan 0.000 0.502 400 P HA -0.174 nan 4.420 nan 0.000 0.216 400 P C 0.891 178.193 177.300 0.004 0.000 1.150 400 P CA 1.607 64.712 63.100 0.008 0.000 0.843 400 P CB 0.184 31.890 31.700 0.010 0.000 0.787 401 E N -0.760 119.443 120.200 0.005 0.000 2.153 401 E HA -0.198 4.154 4.350 0.003 0.000 0.194 401 E C 2.107 178.709 176.600 0.003 0.000 0.988 401 E CA 1.185 57.587 56.400 0.003 0.000 0.811 401 E CB -0.623 29.079 29.700 0.004 0.000 0.746 401 E HN 0.397 nan 8.360 nan 0.000 0.466 402 Q N -0.137 119.666 119.800 0.004 0.000 2.049 402 Q HA 0.003 4.345 4.340 0.003 0.000 0.198 402 Q C 2.184 178.186 176.000 0.003 0.000 0.971 402 Q CA 0.887 56.692 55.803 0.004 0.000 0.833 402 Q CB -0.064 28.677 28.738 0.006 0.000 0.896 402 Q HN 0.246 nan 8.270 nan 0.000 0.434 403 L N 0.200 121.425 121.223 0.003 0.000 2.042 403 L HA -0.197 4.145 4.340 0.003 0.000 0.210 403 L C 2.390 179.259 176.870 -0.001 0.000 1.076 403 L CA 1.051 55.892 54.840 0.001 0.000 0.749 403 L CB -0.587 41.472 42.059 0.000 0.000 0.893 403 L HN 0.228 nan 8.230 nan 0.000 0.432 404 A N -1.260 121.558 122.820 -0.003 0.000 2.121 404 A HA -0.178 4.144 4.320 0.003 0.000 0.218 404 A C 1.108 178.691 177.584 -0.001 0.000 1.154 404 A CA 0.790 52.825 52.037 -0.004 0.000 0.679 404 A CB -0.467 18.529 19.000 -0.007 0.000 0.795 404 A HN 0.306 nan 8.150 nan 0.000 0.458 405 D N 0.369 120.769 120.400 0.000 0.000 2.416 405 D HA 0.431 5.073 4.640 0.003 0.000 0.240 405 D C 1.228 177.530 176.300 0.003 0.000 1.250 405 D CA 0.549 54.550 54.000 0.001 0.000 0.967 405 D CB 0.756 41.557 40.800 0.001 0.000 1.059 405 D HN 0.193 nan 8.370 nan 0.000 0.512 406 A N 3.113 125.936 122.820 0.005 0.000 2.076 406 A HA -0.065 4.257 4.320 0.003 0.000 0.220 406 A C 2.037 179.625 177.584 0.006 0.000 1.160 406 A CA 1.434 53.476 52.037 0.009 0.000 0.653 406 A CB -0.357 18.651 19.000 0.014 0.000 0.801 406 A HN 0.575 nan 8.150 nan 0.000 0.455 407 G N -1.163 107.639 108.800 0.004 0.000 2.679 407 G HA2 0.256 4.218 3.960 0.003 0.000 0.212 407 G HA3 0.256 4.218 3.960 0.003 0.000 0.212 407 G C 0.311 175.212 174.900 0.002 0.000 1.137 407 G CA 0.838 45.939 45.100 0.003 0.000 0.787 407 G HN 0.304 nan 8.290 nan 0.000 0.534 408 V N 1.555 121.470 119.914 0.002 0.000 2.384 408 V HA 0.312 4.434 4.120 0.003 0.000 0.287 408 V C -2.235 173.859 176.094 0.001 0.000 1.020 408 V CA -2.016 60.284 62.300 0.001 0.000 0.850 408 V CB 2.105 33.928 31.823 0.001 0.000 0.987 408 V HN -0.056 nan 8.190 nan 0.000 0.436 409 P HA 0.204 nan 4.420 nan 0.000 0.268 409 P C 0.981 178.279 177.300 -0.003 0.000 1.204 409 P CA -0.054 63.045 63.100 -0.003 0.000 0.768 409 P CB 0.746 32.443 31.700 -0.005 0.000 0.842 410 L N 2.893 124.115 121.223 -0.003 0.000 2.127 410 L HA -0.232 4.110 4.340 0.003 0.000 0.211 410 L C 2.337 179.205 176.870 -0.004 0.000 1.089 410 L CA 1.734 56.572 54.840 -0.002 0.000 0.757 410 L CB -0.691 41.367 42.059 -0.002 0.000 0.899 410 L HN 0.489 nan 8.230 nan 0.000 0.434 411 K N -0.232 120.163 120.400 -0.009 0.000 2.209 411 K HA -0.172 4.150 4.320 0.003 0.000 0.204 411 K C 1.480 178.077 176.600 -0.006 0.000 1.048 411 K CA 1.259 57.539 56.287 -0.011 0.000 0.940 411 K CB -0.187 32.303 32.500 -0.016 0.000 0.729 411 K HN 0.300 nan 8.250 nan 0.000 0.451 412 E N 0.816 121.013 120.200 -0.004 0.000 2.347 412 E HA -0.079 4.273 4.350 0.003 0.000 0.196 412 E C 1.792 178.392 176.600 -0.000 0.000 1.008 412 E CA 0.928 57.326 56.400 -0.002 0.000 0.852 412 E CB -0.143 29.556 29.700 -0.002 0.000 0.783 412 E HN 0.548 nan 8.360 nan 0.000 0.505 413 M N 0.664 120.264 119.600 0.001 0.000 2.506 413 M HA 0.039 4.521 4.480 0.003 0.000 0.260 413 M C 0.705 177.008 176.300 0.005 0.000 1.104 413 M CA 0.155 55.457 55.300 0.004 0.000 1.112 413 M CB -0.094 32.509 32.600 0.005 0.000 1.401 413 M HN 0.004 nan 8.290 nan 0.000 0.473 414 L N -0.890 120.336 121.223 0.005 0.000 2.326 414 L HA 0.765 5.107 4.340 0.003 0.000 0.278 414 L C 0.334 177.207 176.870 0.005 0.000 1.092 414 L CA -0.888 53.956 54.840 0.007 0.000 0.810 414 L CB 0.163 42.227 42.059 0.008 0.000 1.153 414 L HN -0.021 nan 8.230 nan 0.000 0.439 415 A N 0.000 122.824 122.820 0.006 0.000 2.254 415 A HA 0.000 4.322 4.320 0.003 0.000 0.244 415 A CA 0.000 52.040 52.037 0.005 0.000 0.836 415 A CB 0.000 19.003 19.000 0.006 0.000 0.831 415 A HN 0.000 nan 8.150 nan 0.000 0.486