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 1ohh_1_F DATA FIRST_RESID 9 DATA SEQUENCE TTGRIVAVIG AVVDVQFDEG LPPILNALEV QGRETRLVLE VAQHLGESTV DATA SEQUENCE RTIAMDGTEG LVRGQKVLDS GAPIRIPVGP ETLGRIMNVI GEPIDERGPI DATA SEQUENCE KTKQFAAIHA EAPEFVEMSV EQEILVTGIK VVDLLAPYAK GGKIGLFGGA DATA SEQUENCE GVGKTVLIME LINNVAKAHG GYSVFAGVGE RTREGNDLYH EMIESGVINL DATA SEQUENCE KDATSKVALV YGQMNEPPGA RARVALTGLT VAEYFRDQEG QDVLLFIDNI DATA SEQUENCE FRFTQAGSEV SALLGRIPSA VGYQPTLATD MGTMQERITT TKKGSITSVQ DATA SEQUENCE AIYVPADDLT DPAPATTFAH LDATTVLSRA IAELGIYPAV DPLDSTSRIM DATA SEQUENCE DPNIVGSEHY DVARGVQKIL QDYKSLQDII AILGMDELSE EDKLTVSRAR DATA SEQUENCE KIQRFLSQPF QVAEVFTGHL GKLVPLKETI KGFQQILAGE YDHLPEQAFY DATA SEQUENCE MVGPIEEAVA KADKLA 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 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.784 174.700 0.141 0.000 1.109 9 T CA 0.000 62.162 62.100 0.104 0.000 1.349 9 T CB 0.000 68.949 68.868 0.135 0.000 0.612 10 T N -0.303 114.298 114.554 0.078 0.000 2.799 10 T HA 0.724 5.074 4.350 -0.000 0.000 0.286 10 T C 0.621 175.237 174.700 -0.140 0.000 0.973 10 T CA -0.197 61.904 62.100 0.001 0.000 1.035 10 T CB 0.964 69.814 68.868 -0.031 0.000 0.932 10 T HN 1.261 nan 8.240 nan 0.000 0.469 11 G N 2.382 110.952 108.800 -0.383 0.000 2.432 11 G HA2 0.667 4.627 3.960 -0.000 0.000 0.331 11 G HA3 0.667 4.627 3.960 -0.000 0.000 0.331 11 G C -0.826 173.750 174.900 -0.541 0.000 1.170 11 G CA -1.157 43.332 45.100 -1.019 0.000 0.943 11 G HN 0.792 nan 8.290 nan 0.000 0.483 12 R N 0.544 120.763 120.500 -0.468 0.000 2.621 12 R HA 0.332 4.672 4.340 -0.000 0.000 0.292 12 R C -0.332 175.846 176.300 -0.203 0.000 0.969 12 R CA -0.839 55.109 56.100 -0.252 0.000 0.887 12 R CB 2.456 32.655 30.300 -0.169 0.000 1.180 12 R HN 0.435 nan 8.270 nan 0.000 0.450 13 I N 3.147 123.637 120.570 -0.133 0.000 2.683 13 I HA -0.092 4.078 4.170 -0.000 0.000 0.286 13 I C 1.557 177.633 176.117 -0.069 0.000 1.175 13 I CA 0.263 61.512 61.300 -0.085 0.000 1.429 13 I CB 0.848 38.815 38.000 -0.055 0.000 1.371 13 I HN 0.536 nan 8.210 nan 0.000 0.569 14 V N 2.792 122.674 119.914 -0.052 0.000 3.604 14 V HA 0.651 4.771 4.120 -0.000 0.000 0.277 14 V C 0.436 176.516 176.094 -0.024 0.000 1.399 14 V CA 0.336 62.613 62.300 -0.039 0.000 1.034 14 V CB 0.166 31.968 31.823 -0.036 0.000 0.824 14 V HN 0.772 nan 8.190 nan 0.000 0.439 15 A N -0.333 122.476 122.820 -0.019 0.000 2.582 15 A HA 0.761 5.081 4.320 -0.000 0.000 0.297 15 A C -1.383 176.196 177.584 -0.007 0.000 1.059 15 A CA -0.283 51.747 52.037 -0.011 0.000 0.705 15 A CB 1.859 20.855 19.000 -0.006 0.000 1.279 15 A HN 0.606 nan 8.150 nan 0.000 0.404 16 V N 2.177 122.088 119.914 -0.006 0.000 2.569 16 V HA 0.602 4.722 4.120 -0.000 0.000 0.301 16 V C -1.277 174.815 176.094 -0.003 0.000 1.044 16 V CA -0.204 62.094 62.300 -0.004 0.000 0.874 16 V CB 1.475 33.294 31.823 -0.006 0.000 1.002 16 V HN 0.688 nan 8.190 nan 0.000 0.424 17 I N 4.633 125.203 120.570 -0.001 0.000 2.517 17 I HA 0.704 4.874 4.170 -0.000 0.000 0.280 17 I C 0.836 176.952 176.117 -0.002 0.000 1.061 17 I CA 0.798 62.097 61.300 -0.002 0.000 1.091 17 I CB 1.293 39.292 38.000 -0.001 0.000 1.205 17 I HN 0.824 nan 8.210 nan 0.000 0.459 18 G N 4.919 113.718 108.800 -0.003 0.000 2.677 18 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.321 18 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.321 18 G C 0.867 175.766 174.900 -0.001 0.000 1.181 18 G CA 0.743 45.841 45.100 -0.003 0.000 0.965 18 G HN 1.024 nan 8.290 nan 0.000 0.548 19 A N -0.651 122.168 122.820 -0.002 0.000 2.430 19 A HA 0.688 5.008 4.320 -0.000 0.000 0.243 19 A C 0.519 178.106 177.584 0.005 0.000 1.254 19 A CA 1.139 53.177 52.037 0.001 0.000 0.914 19 A CB 0.457 19.456 19.000 -0.002 0.000 0.998 19 A HN 1.273 nan 8.150 nan 0.000 0.515 20 V N 1.043 120.960 119.914 0.005 0.000 2.394 20 V HA 0.436 4.556 4.120 -0.000 0.000 0.282 20 V C -0.686 175.415 176.094 0.011 0.000 1.031 20 V CA -0.357 61.949 62.300 0.009 0.000 0.881 20 V CB 1.516 33.343 31.823 0.007 0.000 0.982 20 V HN 0.091 nan 8.190 nan 0.000 0.451 21 V N 3.972 123.897 119.914 0.018 0.000 2.525 21 V HA 0.419 4.539 4.120 -0.000 0.000 0.299 21 V C -0.773 175.335 176.094 0.024 0.000 1.034 21 V CA -0.874 61.435 62.300 0.016 0.000 0.863 21 V CB 1.971 33.803 31.823 0.014 0.000 0.999 21 V HN 0.780 nan 8.190 nan 0.000 0.423 22 D N 3.597 124.006 120.400 0.016 0.000 2.277 22 D HA 0.444 5.084 4.640 -0.000 0.000 0.249 22 D C -0.357 175.947 176.300 0.007 0.000 1.134 22 D CA 0.110 54.123 54.000 0.022 0.000 0.863 22 D CB 2.137 42.945 40.800 0.014 0.000 1.143 22 D HN 0.265 nan 8.370 nan 0.000 0.458 23 V N 2.857 122.789 119.914 0.030 0.000 2.448 23 V HA 0.257 4.377 4.120 -0.000 0.000 0.295 23 V C 0.099 176.172 176.094 -0.034 0.000 1.025 23 V CA -0.862 61.413 62.300 -0.042 0.000 0.859 23 V CB 1.842 33.655 31.823 -0.016 0.000 0.988 23 V HN 0.404 nan 8.190 nan 0.000 0.431 24 Q N 3.132 122.837 119.800 -0.158 0.000 2.256 24 Q HA 0.611 4.951 4.340 -0.000 0.000 0.257 24 Q C -1.830 174.013 176.000 -0.261 0.000 0.936 24 Q CA -0.446 55.303 55.803 -0.089 0.000 0.903 24 Q CB 1.340 30.036 28.738 -0.069 0.000 1.263 24 Q HN 0.611 nan 8.270 nan 0.000 0.440 25 F N 1.855 121.773 119.950 -0.054 0.000 2.480 25 F HA 0.272 4.798 4.527 -0.000 0.000 0.329 25 F C 0.709 176.484 175.800 -0.042 0.000 1.091 25 F CA -0.629 57.342 58.000 -0.049 0.000 0.972 25 F CB 1.837 40.800 39.000 -0.062 0.000 1.150 25 F HN 0.642 nan 8.300 nan 0.000 0.467 26 D N 0.679 121.142 120.400 0.104 0.000 2.355 26 D HA 0.053 4.692 4.640 -0.000 0.000 0.206 26 D C 0.020 176.361 176.300 0.068 0.000 1.010 26 D CA 1.025 55.059 54.000 0.057 0.000 0.875 26 D CB 0.659 41.468 40.800 0.015 0.000 0.966 26 D HN 0.444 nan 8.370 nan 0.000 0.512 27 E N -0.674 119.590 120.200 0.108 0.000 2.363 27 E HA 0.401 4.751 4.350 -0.000 0.000 0.281 27 E C -0.421 176.231 176.600 0.087 0.000 0.953 27 E CA -0.604 55.840 56.400 0.073 0.000 0.778 27 E CB 2.244 31.974 29.700 0.051 0.000 1.220 27 E HN 0.053 nan 8.360 nan 0.000 0.431 28 G N 2.010 110.824 108.800 0.024 0.000 2.434 28 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.224 28 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.224 28 G C -0.624 174.192 174.900 -0.139 0.000 0.807 28 G CA -0.012 45.070 45.100 -0.030 0.000 1.113 28 G HN 0.231 nan 8.290 nan 0.000 0.327 29 L N 5.750 126.851 121.223 -0.204 0.000 2.281 29 L HA 0.565 4.905 4.340 -0.000 0.000 0.285 29 L C -1.113 175.490 176.870 -0.446 0.000 1.074 29 L CA -2.021 52.559 54.840 -0.434 0.000 0.817 29 L CB 0.827 42.693 42.059 -0.321 0.000 1.168 29 L HN 0.401 nan 8.230 nan 0.000 0.434 30 P HA 0.162 nan 4.420 nan 0.000 0.267 30 P C -2.708 174.549 177.300 -0.071 0.000 1.209 30 P CA -1.047 61.825 63.100 -0.379 0.000 0.763 30 P CB 0.166 31.574 31.700 -0.487 0.000 0.816 31 P HA 0.137 nan 4.420 nan 0.000 0.271 31 P C 0.572 177.878 177.300 0.009 0.000 1.244 31 P CA -0.217 62.907 63.100 0.040 0.000 0.793 31 P CB 0.825 32.505 31.700 -0.032 0.000 0.984 32 I N 1.194 121.705 120.570 -0.097 0.000 2.752 32 I HA -0.122 4.048 4.170 -0.000 0.000 0.287 32 I C 1.739 177.797 176.117 -0.098 0.000 1.188 32 I CA 0.571 61.811 61.300 -0.100 0.000 1.427 32 I CB -0.271 37.629 38.000 -0.167 0.000 1.365 32 I HN 0.459 nan 8.210 nan 0.000 0.585 33 L N 1.821 122.985 121.223 -0.097 0.000 4.029 33 L HA -0.285 4.055 4.340 -0.000 0.000 0.394 33 L C 0.476 177.326 176.870 -0.032 0.000 0.733 33 L CA 0.325 55.084 54.840 -0.135 0.000 2.638 33 L CB -1.372 40.539 42.059 -0.247 0.000 1.037 33 L HN 0.698 nan 8.230 nan 0.000 0.655 34 N N 1.050 119.737 118.700 -0.020 0.000 2.407 34 N HA 0.371 5.111 4.740 -0.000 0.000 0.250 34 N C 0.192 175.720 175.510 0.029 0.000 1.236 34 N CA 1.059 54.110 53.050 0.001 0.000 0.879 34 N CB 0.736 39.210 38.487 -0.022 0.000 1.088 34 N HN 0.324 nan 8.380 nan 0.000 0.450 35 A N 3.342 126.188 122.820 0.042 0.000 2.260 35 A HA 0.478 4.798 4.320 -0.000 0.000 0.308 35 A C -0.378 177.241 177.584 0.059 0.000 1.254 35 A CA -0.578 51.493 52.037 0.057 0.000 0.874 35 A CB 0.009 19.045 19.000 0.059 0.000 1.153 35 A HN 0.637 nan 8.150 nan 0.000 0.527 36 L N 2.156 123.426 121.223 0.077 0.000 2.334 36 L HA 0.488 4.828 4.340 -0.000 0.000 0.275 36 L C 0.053 176.967 176.870 0.073 0.000 1.036 36 L CA -0.672 54.228 54.840 0.100 0.000 0.807 36 L CB 1.414 43.568 42.059 0.159 0.000 1.231 36 L HN 0.598 nan 8.230 nan 0.000 0.438 37 E N 2.157 122.395 120.200 0.063 0.000 2.133 37 E HA 0.301 4.651 4.350 -0.000 0.000 0.274 37 E C -0.896 175.723 176.600 0.032 0.000 0.930 37 E CA -0.616 55.809 56.400 0.041 0.000 0.770 37 E CB 2.630 32.349 29.700 0.032 0.000 1.104 37 E HN 0.210 nan 8.360 nan 0.000 0.403 38 V N 4.109 124.037 119.914 0.023 0.000 2.555 38 V HA -0.009 4.111 4.120 -0.000 0.000 0.286 38 V C 0.637 176.733 176.094 0.003 0.000 1.044 38 V CA -0.292 62.013 62.300 0.008 0.000 1.026 38 V CB 0.961 32.787 31.823 0.006 0.000 0.981 38 V HN 0.506 nan 8.190 nan 0.000 0.480 39 Q N 2.263 122.059 119.800 -0.006 0.000 2.256 39 Q HA 0.422 4.762 4.340 -0.000 0.000 0.232 39 Q C 1.181 177.175 176.000 -0.010 0.000 0.965 39 Q CA 0.441 56.239 55.803 -0.008 0.000 0.908 39 Q CB 0.996 29.727 28.738 -0.013 0.000 1.209 39 Q HN 1.141 nan 8.270 nan 0.000 0.489 40 G N 1.336 110.131 108.800 -0.008 0.000 2.221 40 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.265 40 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.265 40 G C -0.105 174.791 174.900 -0.006 0.000 1.041 40 G CA 0.374 45.469 45.100 -0.008 0.000 0.807 40 G HN 0.371 nan 8.290 nan 0.000 0.502 41 R N -0.880 119.618 120.500 -0.003 0.000 2.740 41 R HA 0.432 4.772 4.340 -0.000 0.000 0.282 41 R C 1.127 177.427 176.300 0.000 0.000 0.969 41 R CA -0.642 55.457 56.100 -0.001 0.000 0.918 41 R CB 1.323 31.623 30.300 0.001 0.000 1.175 41 R HN 0.311 nan 8.270 nan 0.000 0.464 42 E N 0.555 120.755 120.200 0.000 0.000 2.012 42 E HA -0.145 4.205 4.350 -0.000 0.000 0.197 42 E C 0.631 177.232 176.600 0.002 0.000 1.007 42 E CA 1.816 58.216 56.400 0.001 0.000 0.816 42 E CB 0.063 29.763 29.700 0.000 0.000 0.762 42 E HN 0.616 nan 8.360 nan 0.000 0.451 43 T N -1.328 113.228 114.554 0.003 0.000 2.945 43 T HA 0.346 4.696 4.350 -0.000 0.000 0.286 43 T C -0.084 174.621 174.700 0.008 0.000 1.025 43 T CA -0.989 61.114 62.100 0.005 0.000 1.039 43 T CB 1.939 70.810 68.868 0.005 0.000 1.068 43 T HN -0.012 nan 8.240 nan 0.000 0.497 44 R N 1.011 121.517 120.500 0.011 0.000 2.488 44 R HA 0.211 4.550 4.340 -0.000 0.000 0.317 44 R C -0.917 175.392 176.300 0.016 0.000 0.941 44 R CA -0.365 55.743 56.100 0.014 0.000 1.076 44 R CB -0.339 29.971 30.300 0.018 0.000 0.917 44 R HN 0.553 nan 8.270 nan 0.000 0.407 45 L N 6.428 127.661 121.223 0.016 0.000 2.318 45 L HA 0.342 4.682 4.340 -0.000 0.000 0.277 45 L C -1.228 175.658 176.870 0.025 0.000 1.008 45 L CA -0.521 54.330 54.840 0.018 0.000 0.846 45 L CB 1.732 43.799 42.059 0.014 0.000 1.220 45 L HN 0.336 nan 8.230 nan 0.000 0.423 46 V N 6.144 126.077 119.914 0.030 0.000 2.539 46 V HA 0.469 4.589 4.120 -0.000 0.000 0.292 46 V C 0.165 176.285 176.094 0.044 0.000 1.045 46 V CA -0.536 61.788 62.300 0.039 0.000 0.945 46 V CB 1.663 33.513 31.823 0.044 0.000 0.993 46 V HN 0.607 nan 8.190 nan 0.000 0.464 47 L N 3.755 125.010 121.223 0.053 0.000 2.346 47 L HA 0.603 4.943 4.340 -0.000 0.000 0.276 47 L C -0.164 176.746 176.870 0.067 0.000 1.006 47 L CA -0.430 54.444 54.840 0.057 0.000 0.817 47 L CB 2.050 44.147 42.059 0.062 0.000 1.272 47 L HN 0.669 nan 8.230 nan 0.000 0.421 48 E N 2.010 122.249 120.200 0.066 0.000 2.133 48 E HA 0.349 4.699 4.350 -0.000 0.000 0.274 48 E C -1.142 175.493 176.600 0.058 0.000 0.930 48 E CA -0.787 55.655 56.400 0.070 0.000 0.770 48 E CB 1.771 31.526 29.700 0.092 0.000 1.104 48 E HN 0.322 nan 8.360 nan 0.000 0.403 49 V N 4.492 124.437 119.914 0.052 0.000 2.450 49 V HA 0.083 4.203 4.120 -0.000 0.000 0.281 49 V C 0.985 177.096 176.094 0.028 0.000 1.019 49 V CA 0.844 63.178 62.300 0.056 0.000 1.062 49 V CB 0.490 32.348 31.823 0.059 0.000 0.979 49 V HN 0.884 nan 8.190 nan 0.000 0.477 50 A N 4.441 127.284 122.820 0.039 0.000 2.085 50 A HA 0.302 4.622 4.320 -0.000 0.000 0.208 50 A C 0.704 178.296 177.584 0.013 0.000 1.191 50 A CA 0.485 52.529 52.037 0.013 0.000 0.799 50 A CB 0.232 19.244 19.000 0.019 0.000 0.877 50 A HN 0.927 nan 8.150 nan 0.000 0.473 51 Q N -1.852 117.985 119.800 0.062 0.000 2.702 51 Q HA 0.373 4.713 4.340 -0.000 0.000 0.289 51 Q C -1.634 174.499 176.000 0.222 0.000 0.923 51 Q CA -0.768 55.079 55.803 0.074 0.000 0.787 51 Q CB 0.698 29.463 28.738 0.046 0.000 1.476 51 Q HN 0.454 nan 8.270 nan 0.000 0.402 52 H N 1.252 120.319 119.070 -0.005 0.000 2.623 52 H HA 0.301 4.857 4.556 -0.000 0.000 0.299 52 H C 0.466 175.799 175.328 0.008 0.000 1.052 52 H CA -0.471 55.578 56.048 0.001 0.000 1.231 52 H CB 1.133 30.888 29.762 -0.012 0.000 1.389 52 H HN 0.472 nan 8.280 nan 0.000 0.469 53 L N 2.790 124.075 121.223 0.104 0.000 2.376 53 L HA 0.072 4.412 4.340 -0.000 0.000 0.219 53 L C 1.250 178.148 176.870 0.048 0.000 1.133 53 L CA 0.711 55.588 54.840 0.062 0.000 0.816 53 L CB -0.190 41.895 42.059 0.043 0.000 0.933 53 L HN 0.884 nan 8.230 nan 0.000 0.449 54 G N -0.107 108.719 108.800 0.043 0.000 2.603 54 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.686 54 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.686 54 G C -0.038 174.870 174.900 0.012 0.000 1.286 54 G CA -0.429 44.687 45.100 0.028 0.000 0.871 54 G HN 0.278 nan 8.290 nan 0.000 0.568 55 E N -0.999 119.206 120.200 0.009 0.000 2.360 55 E HA -0.204 4.146 4.350 -0.000 0.000 0.238 55 E C 1.002 177.605 176.600 0.005 0.000 1.186 55 E CA 1.060 57.464 56.400 0.007 0.000 0.719 55 E CB -1.447 28.258 29.700 0.007 0.000 1.236 55 E HN 1.921 nan 8.360 nan 0.000 0.386 56 S N -1.475 114.222 115.700 -0.004 0.000 3.419 56 S HA -0.222 4.248 4.470 -0.000 0.000 0.350 56 S C 0.114 174.734 174.600 0.034 0.000 1.128 56 S CA 1.541 59.740 58.200 -0.000 0.000 0.999 56 S CB -0.759 62.459 63.200 0.030 0.000 0.923 56 S HN 0.454 nan 8.310 nan 0.000 0.522 57 T N 1.358 115.919 114.554 0.011 0.000 2.829 57 T HA 0.617 4.967 4.350 -0.000 0.000 0.280 57 T C 0.167 174.884 174.700 0.028 0.000 0.999 57 T CA -0.405 61.720 62.100 0.042 0.000 0.983 57 T CB 1.785 70.668 68.868 0.025 0.000 0.968 57 T HN 0.382 nan 8.240 nan 0.000 0.446 58 V N 1.390 121.355 119.914 0.086 0.000 2.715 58 V HA 0.762 4.882 4.120 -0.000 0.000 0.310 58 V C -0.264 175.889 176.094 0.099 0.000 1.054 58 V CA -1.428 60.923 62.300 0.085 0.000 0.928 58 V CB 1.663 33.547 31.823 0.101 0.000 1.007 58 V HN 0.861 nan 8.190 nan 0.000 0.437 59 R N 2.453 123.008 120.500 0.090 0.000 2.294 59 R HA 0.726 5.066 4.340 -0.000 0.000 0.319 59 R C 0.018 176.360 176.300 0.070 0.000 0.984 59 R CA 0.344 56.484 56.100 0.067 0.000 0.861 59 R CB 1.423 31.753 30.300 0.051 0.000 1.104 59 R HN 1.155 nan 8.270 nan 0.000 0.451 60 T N 1.043 115.634 114.554 0.062 0.000 2.883 60 T HA 0.606 4.956 4.350 -0.000 0.000 0.284 60 T C -0.016 174.709 174.700 0.042 0.000 1.041 60 T CA -0.884 61.252 62.100 0.059 0.000 1.007 60 T CB 1.083 69.996 68.868 0.075 0.000 1.220 60 T HN 0.449 nan 8.240 nan 0.000 0.552 61 I N 0.705 121.300 120.570 0.041 0.000 2.498 61 I HA 0.604 4.774 4.170 -0.000 0.000 0.290 61 I C 0.154 176.292 176.117 0.035 0.000 1.032 61 I CA -1.390 59.929 61.300 0.031 0.000 1.073 61 I CB 1.955 39.971 38.000 0.028 0.000 1.251 61 I HN 0.965 nan 8.210 nan 0.000 0.426 62 A N 6.620 129.456 122.820 0.026 0.000 2.354 62 A HA 0.549 4.869 4.320 -0.000 0.000 0.269 62 A C 0.574 178.174 177.584 0.026 0.000 1.109 62 A CA -0.363 51.689 52.037 0.026 0.000 0.800 62 A CB 0.561 19.572 19.000 0.018 0.000 1.045 62 A HN 0.747 nan 8.150 nan 0.000 0.489 63 M N 0.945 120.563 119.600 0.030 0.000 2.431 63 M HA 0.235 4.715 4.480 -0.000 0.000 0.237 63 M C -0.281 176.033 176.300 0.023 0.000 1.130 63 M CA 0.424 55.741 55.300 0.030 0.000 1.002 63 M CB -1.041 31.581 32.600 0.036 0.000 1.524 63 M HN 0.762 nan 8.290 nan 0.000 0.482 64 D N -1.150 119.261 120.400 0.019 0.000 2.692 64 D HA 0.445 5.085 4.640 -0.000 0.000 0.303 64 D C -0.502 175.804 176.300 0.011 0.000 1.278 64 D CA -0.162 53.847 54.000 0.015 0.000 0.852 64 D CB 1.282 42.091 40.800 0.014 0.000 1.375 64 D HN 0.130 nan 8.370 nan 0.000 0.453 65 G N -0.798 108.007 108.800 0.008 0.000 2.474 65 G HA2 0.319 4.279 3.960 -0.000 0.000 0.233 65 G HA3 0.319 4.279 3.960 -0.000 0.000 0.233 65 G C 0.779 175.682 174.900 0.005 0.000 1.278 65 G CA 0.713 45.816 45.100 0.005 0.000 0.861 65 G HN 0.404 nan 8.290 nan 0.000 0.567 66 T N -1.375 113.181 114.554 0.003 0.000 3.174 66 T HA 0.259 4.609 4.350 -0.000 0.000 0.269 66 T C 0.334 175.034 174.700 -0.000 0.000 1.017 66 T CA -0.314 61.787 62.100 0.002 0.000 0.899 66 T CB -0.092 68.778 68.868 0.002 0.000 1.077 66 T HN 0.593 nan 8.240 nan 0.000 0.552 67 E N 1.103 121.302 120.200 -0.000 0.000 2.413 67 E HA 0.469 4.819 4.350 -0.000 0.000 0.263 67 E C 1.445 178.043 176.600 -0.002 0.000 1.015 67 E CA 0.404 56.803 56.400 -0.001 0.000 0.916 67 E CB -0.189 29.510 29.700 -0.001 0.000 0.947 67 E HN 0.277 nan 8.360 nan 0.000 0.440 68 G N 1.766 110.564 108.800 -0.004 0.000 2.253 68 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.251 68 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.251 68 G C 0.220 175.116 174.900 -0.007 0.000 0.998 68 G CA 0.062 45.159 45.100 -0.005 0.000 0.621 68 G HN 0.411 nan 8.290 nan 0.000 0.524 69 L N 0.707 121.925 121.223 -0.007 0.000 2.506 69 L HA 0.427 4.767 4.340 -0.000 0.000 0.281 69 L C 0.633 177.495 176.870 -0.012 0.000 1.228 69 L CA 0.005 54.839 54.840 -0.010 0.000 0.850 69 L CB 0.861 42.915 42.059 -0.009 0.000 1.110 69 L HN 0.030 nan 8.230 nan 0.000 0.496 70 V N 2.642 122.546 119.914 -0.017 0.000 2.735 70 V HA 0.374 4.494 4.120 -0.000 0.000 0.310 70 V C 0.037 176.117 176.094 -0.024 0.000 1.061 70 V CA -0.914 61.375 62.300 -0.018 0.000 0.913 70 V CB 2.026 33.838 31.823 -0.018 0.000 1.005 70 V HN 0.676 nan 8.190 nan 0.000 0.428 71 R N 2.042 122.528 120.500 -0.024 0.000 2.623 71 R HA 0.434 4.774 4.340 -0.000 0.000 0.271 71 R C 1.311 177.590 176.300 -0.035 0.000 1.043 71 R CA 1.012 57.094 56.100 -0.030 0.000 1.083 71 R CB 0.200 30.485 30.300 -0.025 0.000 0.974 71 R HN 1.211 nan 8.270 nan 0.000 0.436 72 G N 1.189 109.960 108.800 -0.048 0.000 2.194 72 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.236 72 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.236 72 G C 0.182 175.048 174.900 -0.058 0.000 0.987 72 G CA 0.073 45.141 45.100 -0.053 0.000 0.635 72 G HN 0.594 nan 8.290 nan 0.000 0.520 73 Q N 1.062 120.830 119.800 -0.053 0.000 2.361 73 Q HA 0.405 4.745 4.340 -0.000 0.000 0.276 73 Q C 0.251 176.208 176.000 -0.071 0.000 1.022 73 Q CA 0.016 55.789 55.803 -0.050 0.000 0.898 73 Q CB 0.409 29.125 28.738 -0.038 0.000 1.246 73 Q HN 0.158 nan 8.270 nan 0.000 0.410 74 K N 2.161 122.522 120.400 -0.065 0.000 2.218 74 K HA 0.320 4.640 4.320 -0.000 0.000 0.276 74 K C -1.014 175.542 176.600 -0.074 0.000 1.022 74 K CA -0.269 55.968 56.287 -0.083 0.000 0.946 74 K CB 1.352 33.816 32.500 -0.060 0.000 1.000 74 K HN 0.401 nan 8.250 nan 0.000 0.468 75 V N 3.809 123.658 119.914 -0.109 0.000 2.588 75 V HA 0.327 4.447 4.120 -0.000 0.000 0.304 75 V C -0.522 175.571 176.094 -0.001 0.000 1.042 75 V CA -1.029 61.238 62.300 -0.055 0.000 0.877 75 V CB 1.929 33.710 31.823 -0.070 0.000 0.996 75 V HN 0.523 nan 8.190 nan 0.000 0.425 76 L N 3.078 124.337 121.223 0.061 0.000 2.334 76 L HA 0.625 4.965 4.340 -0.000 0.000 0.275 76 L C -0.330 176.632 176.870 0.153 0.000 1.036 76 L CA 0.002 54.904 54.840 0.103 0.000 0.807 76 L CB 1.711 43.803 42.059 0.056 0.000 1.231 76 L HN 0.760 nan 8.230 nan 0.000 0.438 77 D N -0.004 120.497 120.400 0.168 0.000 2.317 77 D HA 0.184 4.824 4.640 -0.000 0.000 0.234 77 D C 0.869 177.199 176.300 0.051 0.000 1.112 77 D CA 0.136 54.201 54.000 0.109 0.000 0.840 77 D CB 1.374 42.209 40.800 0.059 0.000 1.078 77 D HN 0.507 nan 8.370 nan 0.000 0.486 78 S N 2.801 118.522 115.700 0.036 0.000 2.453 78 S HA 0.112 4.581 4.470 -0.000 0.000 0.231 78 S C 1.769 176.370 174.600 0.000 0.000 1.005 78 S CA 0.660 58.869 58.200 0.015 0.000 0.949 78 S CB -0.334 62.875 63.200 0.015 0.000 0.774 78 S HN 1.025 nan 8.310 nan 0.000 0.510 79 G N 0.216 109.014 108.800 -0.004 0.000 2.157 79 G HA2 0.124 4.084 3.960 -0.000 0.000 0.248 79 G HA3 0.124 4.084 3.960 -0.000 0.000 0.248 79 G C 0.125 175.018 174.900 -0.012 0.000 0.979 79 G CA -0.127 44.964 45.100 -0.015 0.000 0.650 79 G HN 1.638 nan 8.290 nan 0.000 0.529 80 A N -1.079 121.740 122.820 -0.002 0.000 2.608 80 A HA 0.888 5.208 4.320 -0.000 0.000 0.292 80 A C -2.751 174.849 177.584 0.027 0.000 1.066 80 A CA -0.479 51.562 52.037 0.008 0.000 0.676 80 A CB 1.008 20.011 19.000 0.004 0.000 1.277 80 A HN 0.078 nan 8.150 nan 0.000 0.413 81 P HA 0.246 nan 4.420 nan 0.000 0.291 81 P C -0.344 177.009 177.300 0.088 0.000 1.287 81 P CA -0.259 62.892 63.100 0.086 0.000 0.767 81 P CB 0.278 32.059 31.700 0.136 0.000 1.290 82 I N 0.513 121.152 120.570 0.116 0.000 2.436 82 I HA 0.082 4.252 4.170 -0.000 0.000 0.289 82 I C 0.865 177.024 176.117 0.071 0.000 1.083 82 I CA 0.340 61.688 61.300 0.081 0.000 1.372 82 I CB -0.075 37.967 38.000 0.070 0.000 1.408 82 I HN 0.073 nan 8.210 nan 0.000 0.516 83 R N 7.674 128.223 120.500 0.082 0.000 2.338 83 R HA 0.649 4.989 4.340 -0.000 0.000 0.317 83 R C -0.538 175.860 176.300 0.162 0.000 0.968 83 R CA -0.636 55.535 56.100 0.117 0.000 0.849 83 R CB 1.722 32.100 30.300 0.129 0.000 1.128 83 R HN 0.599 nan 8.270 nan 0.000 0.448 84 I N -0.812 119.821 120.570 0.105 0.000 2.957 84 I HA 0.676 4.846 4.170 -0.000 0.000 0.310 84 I C -2.650 173.383 176.117 -0.139 0.000 1.063 84 I CA -3.466 57.849 61.300 0.026 0.000 1.033 84 I CB 2.448 40.424 38.000 -0.040 0.000 1.230 84 I HN 0.303 nan 8.210 nan 0.000 0.447 85 P HA 0.234 nan 4.420 nan 0.000 0.276 85 P C -0.805 176.209 177.300 -0.475 0.000 1.235 85 P CA -0.189 62.524 63.100 -0.644 0.000 0.772 85 P CB 1.121 32.471 31.700 -0.584 0.000 0.871 86 V N 0.354 119.927 119.914 -0.567 0.000 2.876 86 V HA 1.038 5.158 4.120 -0.000 0.000 0.312 86 V C -0.035 175.433 176.094 -1.043 0.000 1.085 86 V CA -0.343 61.537 62.300 -0.700 0.000 0.945 86 V CB 1.516 33.013 31.823 -0.544 0.000 1.017 86 V HN 0.923 nan 8.190 nan 0.000 0.428 87 G N 2.962 110.988 108.800 -1.290 0.000 2.359 87 G HA2 0.247 4.207 3.960 -0.000 0.000 0.303 87 G HA3 0.247 4.207 3.960 -0.000 0.000 0.303 87 G C -2.646 172.068 174.900 -0.309 0.000 1.293 87 G CA 0.071 44.547 45.100 -1.040 0.000 0.964 87 G HN 0.663 nan 8.290 nan 0.000 0.531 88 P HA -0.018 nan 4.420 nan 0.000 0.221 88 P C 1.173 178.455 177.300 -0.029 0.000 1.150 88 P CA 1.619 64.763 63.100 0.074 0.000 0.800 88 P CB 0.096 31.854 31.700 0.096 0.000 0.787 89 E N 0.408 120.560 120.200 -0.079 0.000 2.511 89 E HA -0.058 4.292 4.350 -0.000 0.000 0.196 89 E C 1.379 177.928 176.600 -0.085 0.000 1.066 89 E CA 1.118 57.472 56.400 -0.078 0.000 0.871 89 E CB -1.402 28.247 29.700 -0.086 0.000 0.863 89 E HN 0.365 nan 8.360 nan 0.000 0.520 90 T N -0.762 113.734 114.554 -0.097 0.000 2.937 90 T HA 0.064 4.414 4.350 -0.000 0.000 0.260 90 T C 1.296 175.995 174.700 -0.002 0.000 1.051 90 T CA -0.223 61.830 62.100 -0.079 0.000 1.141 90 T CB -0.491 68.298 68.868 -0.133 0.000 0.879 90 T HN 0.057 nan 8.240 nan 0.000 0.459 91 L N 2.438 123.678 121.223 0.027 0.000 2.640 91 L HA 0.273 4.613 4.340 -0.000 0.000 0.280 91 L C 1.742 178.616 176.870 0.007 0.000 1.229 91 L CA 1.190 56.031 54.840 0.002 0.000 0.919 91 L CB -0.254 41.720 42.059 -0.143 0.000 1.168 91 L HN 0.711 nan 8.230 nan 0.000 0.496 92 G N 1.895 110.721 108.800 0.043 0.000 2.199 92 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.254 92 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.254 92 G C 0.408 175.374 174.900 0.109 0.000 0.982 92 G CA -0.337 44.803 45.100 0.068 0.000 0.632 92 G HN 0.469 nan 8.290 nan 0.000 0.529 93 R N -0.198 120.344 120.500 0.069 0.000 2.691 93 R HA 0.818 5.158 4.340 -0.000 0.000 0.259 93 R C 0.293 176.607 176.300 0.024 0.000 1.048 93 R CA -0.900 55.225 56.100 0.041 0.000 1.086 93 R CB 0.672 30.971 30.300 -0.001 0.000 1.166 93 R HN 0.316 nan 8.270 nan 0.000 0.526 94 I N 2.287 122.830 120.570 -0.045 0.000 2.466 94 I HA 0.426 4.596 4.170 -0.000 0.000 0.289 94 I C 0.246 176.345 176.117 -0.031 0.000 1.026 94 I CA -0.708 60.560 61.300 -0.054 0.000 1.078 94 I CB 1.769 39.627 38.000 -0.237 0.000 1.249 94 I HN 0.393 nan 8.210 nan 0.000 0.429 95 M N 5.758 125.369 119.600 0.019 0.000 2.644 95 M HA 0.539 5.019 4.480 -0.000 0.000 0.304 95 M C -1.456 174.867 176.300 0.038 0.000 1.215 95 M CA -0.617 54.687 55.300 0.007 0.000 0.871 95 M CB 2.554 35.145 32.600 -0.015 0.000 1.740 95 M HN 0.676 nan 8.290 nan 0.000 0.464 96 N N 0.613 119.327 118.700 0.024 0.000 2.593 96 N HA 0.448 5.188 4.740 -0.000 0.000 0.304 96 N C 0.702 176.227 175.510 0.025 0.000 1.296 96 N CA -0.922 52.151 53.050 0.037 0.000 0.950 96 N CB 0.847 39.350 38.487 0.027 0.000 1.127 96 N HN 0.521 nan 8.380 nan 0.000 0.587 97 V N 0.001 119.931 119.914 0.027 0.000 2.231 97 V HA -0.287 3.833 4.120 -0.000 0.000 0.250 97 V C 2.111 178.210 176.094 0.009 0.000 1.058 97 V CA 2.110 64.419 62.300 0.016 0.000 1.022 97 V CB -1.378 30.459 31.823 0.023 0.000 0.640 97 V HN 0.761 nan 8.190 nan 0.000 0.445 98 I N -0.732 119.849 120.570 0.018 0.000 3.688 98 I HA 0.526 4.696 4.170 -0.000 0.000 0.307 98 I C 1.423 177.555 176.117 0.025 0.000 1.287 98 I CA 0.581 61.896 61.300 0.024 0.000 1.192 98 I CB -0.943 37.077 38.000 0.033 0.000 1.043 98 I HN 0.445 nan 8.210 nan 0.000 0.442 99 G N 1.068 109.873 108.800 0.008 0.000 2.175 99 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.265 99 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.265 99 G C 0.009 174.908 174.900 -0.002 0.000 0.979 99 G CA 0.344 45.440 45.100 -0.006 0.000 0.663 99 G HN 0.707 nan 8.290 nan 0.000 0.533 100 E N 1.803 122.009 120.200 0.010 0.000 2.354 100 E HA 0.339 4.689 4.350 -0.000 0.000 0.269 100 E C -2.066 174.529 176.600 -0.008 0.000 1.036 100 E CA -1.550 54.855 56.400 0.008 0.000 0.876 100 E CB 1.103 30.811 29.700 0.013 0.000 1.009 100 E HN 0.274 nan 8.360 nan 0.000 0.416 101 P HA 0.049 nan 4.420 nan 0.000 0.275 101 P C 0.017 177.296 177.300 -0.035 0.000 1.227 101 P CA 0.207 63.290 63.100 -0.028 0.000 0.781 101 P CB 0.485 32.168 31.700 -0.027 0.000 0.906 102 I N -0.668 119.866 120.570 -0.059 0.000 3.491 102 I HA 0.298 4.468 4.170 -0.000 0.000 0.332 102 I C -0.209 175.829 176.117 -0.131 0.000 1.565 102 I CA -0.417 60.837 61.300 -0.077 0.000 1.050 102 I CB 0.067 38.024 38.000 -0.073 0.000 1.348 102 I HN 0.030 nan 8.210 nan 0.000 0.506 103 D N -0.020 120.307 120.400 -0.123 0.000 2.440 103 D HA 0.067 4.707 4.640 -0.000 0.000 0.216 103 D C 0.352 176.617 176.300 -0.058 0.000 1.150 103 D CA -0.328 53.576 54.000 -0.160 0.000 0.832 103 D CB 0.006 40.689 40.800 -0.196 0.000 0.992 103 D HN 0.424 nan 8.370 nan 0.000 0.502 104 E N 0.145 120.321 120.200 -0.040 0.000 2.360 104 E HA -0.252 4.098 4.350 -0.000 0.000 0.238 104 E C -0.048 176.553 176.600 0.003 0.000 1.186 104 E CA 0.276 56.668 56.400 -0.013 0.000 0.719 104 E CB -0.845 28.852 29.700 -0.005 0.000 1.236 104 E HN 0.435 nan 8.360 nan 0.000 0.386 105 R N -0.245 120.255 120.500 0.001 0.000 2.629 105 R HA 0.291 4.631 4.340 -0.000 0.000 0.386 105 R C 0.667 176.969 176.300 0.004 0.000 1.071 105 R CA 0.203 56.309 56.100 0.011 0.000 1.104 105 R CB 1.276 31.590 30.300 0.023 0.000 1.370 105 R HN 0.292 nan 8.270 nan 0.000 0.574 106 G N 2.799 111.599 108.800 0.000 0.000 2.829 106 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.628 106 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.628 106 G C -2.382 172.517 174.900 -0.002 0.000 1.412 106 G CA -1.117 43.983 45.100 0.001 0.000 0.864 106 G HN 0.087 nan 8.290 nan 0.000 0.544 107 P HA 0.185 nan 4.420 nan 0.000 0.269 107 P C 0.089 177.383 177.300 -0.010 0.000 1.205 107 P CA 0.288 63.391 63.100 0.005 0.000 0.780 107 P CB 0.345 32.056 31.700 0.018 0.000 0.858 108 I N 1.991 122.547 120.570 -0.024 0.000 2.412 108 I HA 0.161 4.331 4.170 -0.000 0.000 0.279 108 I C 0.854 176.920 176.117 -0.084 0.000 1.063 108 I CA -0.546 60.716 61.300 -0.064 0.000 1.193 108 I CB 0.328 38.269 38.000 -0.097 0.000 1.370 108 I HN 0.086 nan 8.210 nan 0.000 0.479 109 K N 5.058 125.428 120.400 -0.051 0.000 2.081 109 K HA 0.096 4.416 4.320 -0.000 0.000 0.230 109 K C 0.484 177.036 176.600 -0.081 0.000 1.199 109 K CA -0.061 56.206 56.287 -0.034 0.000 1.130 109 K CB -0.368 32.129 32.500 -0.005 0.000 1.386 109 K HN 0.566 nan 8.250 nan 0.000 0.280 110 T N -1.848 112.599 114.554 -0.179 0.000 2.934 110 T HA 0.263 4.612 4.350 -0.000 0.000 0.283 110 T C 1.009 175.626 174.700 -0.138 0.000 1.005 110 T CA -0.955 61.000 62.100 -0.241 0.000 1.041 110 T CB 1.980 70.570 68.868 -0.464 0.000 1.042 110 T HN 0.210 nan 8.240 nan 0.000 0.505 111 K N 0.778 121.128 120.400 -0.083 0.000 1.979 111 K HA 0.021 4.341 4.320 -0.000 0.000 0.213 111 K C 0.710 177.366 176.600 0.093 0.000 1.036 111 K CA 0.676 56.983 56.287 0.033 0.000 0.954 111 K CB -0.290 32.229 32.500 0.032 0.000 0.743 111 K HN 0.473 nan 8.250 nan 0.000 0.443 112 Q N -0.034 119.774 119.800 0.014 0.000 2.421 112 Q HA 0.224 4.563 4.340 -0.000 0.000 0.255 112 Q C -0.796 175.171 176.000 -0.054 0.000 1.013 112 Q CA 0.535 56.385 55.803 0.079 0.000 0.895 112 Q CB 0.328 29.099 28.738 0.056 0.000 1.271 112 Q HN 0.044 nan 8.270 nan 0.000 0.460 113 F N -0.300 119.615 119.950 -0.057 0.000 2.611 113 F HA 0.817 5.344 4.527 -0.000 0.000 0.324 113 F C -0.362 175.413 175.800 -0.040 0.000 1.061 113 F CA -1.016 56.947 58.000 -0.063 0.000 0.954 113 F CB 1.827 40.802 39.000 -0.040 0.000 1.301 113 F HN 0.478 nan 8.300 nan 0.000 0.482 114 A N 0.803 123.693 122.820 0.116 0.000 2.486 114 A HA 0.825 5.145 4.320 -0.000 0.000 0.300 114 A C -1.241 176.380 177.584 0.061 0.000 1.048 114 A CA -0.667 51.412 52.037 0.070 0.000 0.696 114 A CB 1.018 20.031 19.000 0.021 0.000 1.278 114 A HN 1.063 nan 8.150 nan 0.000 0.405 115 A N 1.217 124.073 122.820 0.060 0.000 2.440 115 A HA 0.481 4.801 4.320 -0.000 0.000 0.251 115 A C 0.902 178.497 177.584 0.018 0.000 1.089 115 A CA 0.201 52.273 52.037 0.058 0.000 0.779 115 A CB -0.485 18.560 19.000 0.076 0.000 1.022 115 A HN 1.652 nan 8.150 nan 0.000 0.492 116 I N -1.033 119.524 120.570 -0.023 0.000 3.564 116 I HA 0.149 4.319 4.170 -0.000 0.000 0.294 116 I C 0.168 176.138 176.117 -0.245 0.000 1.289 116 I CA 0.286 61.507 61.300 -0.131 0.000 1.325 116 I CB -0.378 37.520 38.000 -0.171 0.000 1.039 116 I HN 0.448 nan 8.210 nan 0.000 0.474 117 H N 2.212 121.284 119.070 0.005 0.000 2.505 117 H HA 0.849 5.405 4.556 -0.000 0.000 0.338 117 H C -0.645 174.683 175.328 0.000 0.000 1.057 117 H CA -0.480 55.569 56.048 0.003 0.000 1.202 117 H CB 2.002 31.770 29.762 0.010 0.000 1.466 117 H HN 0.357 nan 8.280 nan 0.000 0.499 118 A N 3.108 125.994 122.820 0.111 0.000 2.612 118 A HA 0.361 4.681 4.320 -0.000 0.000 0.293 118 A C -0.734 176.878 177.584 0.047 0.000 1.075 118 A CA -0.866 51.208 52.037 0.062 0.000 0.680 118 A CB 1.621 20.640 19.000 0.031 0.000 1.279 118 A HN 0.664 nan 8.150 nan 0.000 0.411 119 E N 0.687 120.907 120.200 0.033 0.000 2.343 119 E HA 0.483 4.833 4.350 -0.000 0.000 0.269 119 E C 0.426 177.038 176.600 0.020 0.000 1.047 119 E CA -0.153 56.264 56.400 0.027 0.000 0.874 119 E CB 1.428 31.142 29.700 0.023 0.000 1.033 119 E HN 0.838 nan 8.360 nan 0.000 0.409 120 A N 3.703 126.535 122.820 0.020 0.000 2.366 120 A HA 0.284 4.604 4.320 -0.000 0.000 0.249 120 A C -2.100 175.495 177.584 0.019 0.000 1.084 120 A CA -1.089 50.957 52.037 0.015 0.000 0.794 120 A CB -0.362 18.651 19.000 0.022 0.000 1.034 120 A HN 0.368 nan 8.150 nan 0.000 0.491 121 P HA 0.078 nan 4.420 nan 0.000 0.266 121 P C -0.087 177.231 177.300 0.031 0.000 1.193 121 P CA 0.126 63.233 63.100 0.011 0.000 0.770 121 P CB 0.416 32.114 31.700 -0.003 0.000 0.836 122 E N 1.154 121.374 120.200 0.033 0.000 2.392 122 E HA 0.005 4.355 4.350 -0.000 0.000 0.256 122 E C 0.795 177.449 176.600 0.091 0.000 1.145 122 E CA -0.212 56.229 56.400 0.069 0.000 0.929 122 E CB 0.116 29.851 29.700 0.059 0.000 0.998 122 E HN 0.408 nan 8.360 nan 0.000 0.442 123 F N 2.017 121.966 119.950 -0.002 0.000 2.192 123 F HA -0.212 4.315 4.527 -0.000 0.000 0.301 123 F C 1.716 177.514 175.800 -0.004 0.000 1.079 123 F CA 1.536 59.535 58.000 -0.002 0.000 1.303 123 F CB -0.081 38.918 39.000 -0.002 0.000 1.024 123 F HN 0.242 nan 8.300 nan 0.000 0.494 124 V N -2.490 117.363 119.914 -0.103 0.000 3.380 124 V HA -0.028 4.092 4.120 -0.000 0.000 0.268 124 V C 1.260 177.256 176.094 -0.162 0.000 1.168 124 V CA 1.455 63.645 62.300 -0.182 0.000 1.156 124 V CB -0.833 30.966 31.823 -0.040 0.000 0.785 124 V HN 0.408 nan 8.190 nan 0.000 0.487 125 E N -0.188 119.936 120.200 -0.126 0.000 2.481 125 E HA 0.251 4.601 4.350 -0.000 0.000 0.198 125 E C 0.337 176.870 176.600 -0.112 0.000 1.027 125 E CA -0.427 55.918 56.400 -0.092 0.000 0.900 125 E CB 0.172 29.843 29.700 -0.047 0.000 0.993 125 E HN 0.419 nan 8.360 nan 0.000 0.482 126 M N 1.130 120.622 119.600 -0.180 0.000 2.245 126 M HA 0.088 4.568 4.480 -0.000 0.000 0.344 126 M C 0.369 176.585 176.300 -0.141 0.000 1.170 126 M CA 0.037 55.241 55.300 -0.160 0.000 1.135 126 M CB 0.906 33.372 32.600 -0.223 0.000 1.574 126 M HN -0.169 nan 8.290 nan 0.000 0.452 127 S N 1.536 117.182 115.700 -0.090 0.000 2.475 127 S HA 0.607 5.077 4.470 -0.000 0.000 0.298 127 S C 0.432 174.997 174.600 -0.057 0.000 1.119 127 S CA -0.850 57.308 58.200 -0.071 0.000 1.085 127 S CB 0.741 63.911 63.200 -0.050 0.000 1.028 127 S HN 0.558 nan 8.310 nan 0.000 0.489 128 V N 1.095 120.978 119.914 -0.053 0.000 3.319 128 V HA 0.509 4.629 4.120 -0.000 0.000 0.317 128 V C 0.102 176.182 176.094 -0.024 0.000 1.411 128 V CA -0.409 61.870 62.300 -0.036 0.000 1.112 128 V CB -0.180 31.620 31.823 -0.038 0.000 1.031 128 V HN 0.650 nan 8.190 nan 0.000 0.448 129 E N 2.838 123.023 120.200 -0.025 0.000 2.223 129 E HA 0.375 4.725 4.350 -0.000 0.000 0.282 129 E C -0.402 176.192 176.600 -0.009 0.000 1.046 129 E CA 0.224 56.614 56.400 -0.017 0.000 0.857 129 E CB 1.013 30.702 29.700 -0.018 0.000 1.055 129 E HN 0.566 nan 8.360 nan 0.000 0.409 130 Q N 2.201 121.998 119.800 -0.004 0.000 2.322 130 Q HA 0.399 4.739 4.340 -0.000 0.000 0.265 130 Q C -0.465 175.540 176.000 0.010 0.000 0.985 130 Q CA -0.369 55.437 55.803 0.005 0.000 0.849 130 Q CB 2.397 31.138 28.738 0.004 0.000 1.274 130 Q HN 0.497 nan 8.270 nan 0.000 0.449 131 E N 3.548 123.759 120.200 0.018 0.000 2.378 131 E HA 0.233 4.583 4.350 -0.000 0.000 0.282 131 E C -0.867 175.755 176.600 0.038 0.000 0.910 131 E CA -0.380 56.035 56.400 0.024 0.000 0.816 131 E CB 1.514 31.224 29.700 0.017 0.000 1.359 131 E HN 0.700 nan 8.360 nan 0.000 0.397 132 I N 3.629 124.229 120.570 0.049 0.000 3.185 132 I HA -0.135 4.035 4.170 -0.000 0.000 0.300 132 I C -0.697 175.458 176.117 0.064 0.000 1.245 132 I CA 0.580 61.920 61.300 0.066 0.000 1.413 132 I CB 0.451 38.498 38.000 0.079 0.000 1.324 132 I HN 0.563 nan 8.210 nan 0.000 0.588 133 L N 7.951 129.223 121.223 0.082 0.000 2.454 133 L HA 0.371 4.711 4.340 -0.000 0.000 0.258 133 L C -0.716 176.196 176.870 0.070 0.000 1.025 133 L CA -0.354 54.537 54.840 0.084 0.000 0.901 133 L CB 1.045 43.171 42.059 0.113 0.000 1.210 133 L HN 0.279 nan 8.230 nan 0.000 0.457 134 V N 3.274 123.211 119.914 0.037 0.000 2.655 134 V HA 0.174 4.294 4.120 -0.000 0.000 0.300 134 V C 1.520 177.613 176.094 -0.001 0.000 1.044 134 V CA 0.927 63.227 62.300 0.000 0.000 1.095 134 V CB 1.035 32.854 31.823 -0.006 0.000 0.952 134 V HN 0.895 nan 8.190 nan 0.000 0.485 135 T N -0.485 114.040 114.554 -0.048 0.000 2.985 135 T HA 0.335 4.685 4.350 -0.000 0.000 0.254 135 T C 1.298 175.956 174.700 -0.070 0.000 1.021 135 T CA 0.756 62.830 62.100 -0.042 0.000 0.957 135 T CB 0.649 69.475 68.868 -0.071 0.000 1.047 135 T HN 1.552 nan 8.240 nan 0.000 0.511 136 G N 1.738 110.495 108.800 -0.072 0.000 2.175 136 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.244 136 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.244 136 G C -0.008 174.851 174.900 -0.069 0.000 0.982 136 G CA 0.041 45.104 45.100 -0.063 0.000 0.641 136 G HN 0.652 nan 8.290 nan 0.000 0.527 137 I N 1.388 121.903 120.570 -0.092 0.000 2.306 137 I HA 0.224 4.394 4.170 -0.000 0.000 0.288 137 I C 1.609 177.692 176.117 -0.056 0.000 1.036 137 I CA -0.763 60.513 61.300 -0.039 0.000 1.221 137 I CB 1.198 39.173 38.000 -0.043 0.000 1.385 137 I HN 0.016 nan 8.210 nan 0.000 0.472 138 K N 3.483 123.862 120.400 -0.035 0.000 2.059 138 K HA -0.191 4.129 4.320 -0.000 0.000 0.212 138 K C 1.735 178.258 176.600 -0.129 0.000 1.050 138 K CA 1.474 57.715 56.287 -0.078 0.000 0.927 138 K CB -0.242 32.221 32.500 -0.061 0.000 0.714 138 K HN 0.534 nan 8.250 nan 0.000 0.447 139 V N 0.829 120.702 119.914 -0.068 0.000 2.358 139 V HA -0.191 3.929 4.120 -0.000 0.000 0.246 139 V C 2.323 178.358 176.094 -0.098 0.000 1.047 139 V CA 1.511 63.765 62.300 -0.076 0.000 1.035 139 V CB -0.572 31.253 31.823 0.004 0.000 0.658 139 V HN 0.072 nan 8.190 nan 0.000 0.452 140 V N 0.079 119.919 119.914 -0.123 0.000 2.302 140 V HA -0.163 3.957 4.120 -0.000 0.000 0.243 140 V C 2.373 178.320 176.094 -0.246 0.000 1.036 140 V CA 1.926 64.076 62.300 -0.250 0.000 1.020 140 V CB -0.715 30.796 31.823 -0.519 0.000 0.657 140 V HN 0.452 nan 8.190 nan 0.000 0.453 141 D N 0.157 120.429 120.400 -0.213 0.000 2.106 141 D HA -0.183 4.457 4.640 -0.000 0.000 0.191 141 D C 1.963 178.220 176.300 -0.071 0.000 0.997 141 D CA 1.526 55.437 54.000 -0.148 0.000 0.834 141 D CB -0.233 40.483 40.800 -0.139 0.000 0.956 141 D HN 0.283 nan 8.370 nan 0.000 0.448 142 L N 0.534 121.682 121.223 -0.124 0.000 1.950 142 L HA -0.093 4.247 4.340 -0.000 0.000 0.210 142 L C 2.382 179.275 176.870 0.038 0.000 1.079 142 L CA 1.516 56.299 54.840 -0.096 0.000 0.754 142 L CB -0.831 41.002 42.059 -0.377 0.000 0.889 142 L HN 0.001 nan 8.230 nan 0.000 0.433 143 L N -0.762 120.416 121.223 -0.075 0.000 2.109 143 L HA 0.061 4.401 4.340 -0.000 0.000 0.207 143 L C 0.983 177.844 176.870 -0.016 0.000 1.086 143 L CA 0.852 55.659 54.840 -0.054 0.000 0.760 143 L CB -0.485 41.534 42.059 -0.067 0.000 0.910 143 L HN 0.411 nan 8.230 nan 0.000 0.437 144 A N -0.170 122.645 122.820 -0.008 0.000 3.410 144 A HA 0.394 4.714 4.320 -0.000 0.000 0.276 144 A C -2.490 175.103 177.584 0.015 0.000 0.995 144 A CA -1.042 51.014 52.037 0.032 0.000 0.934 144 A CB -0.309 18.739 19.000 0.081 0.000 1.191 144 A HN -0.109 nan 8.150 nan 0.000 0.511 145 P HA -0.102 nan 4.420 nan 0.000 0.266 145 P C -0.525 176.840 177.300 0.108 0.000 1.180 145 P CA 0.873 63.969 63.100 -0.008 0.000 0.765 145 P CB 0.361 32.114 31.700 0.088 0.000 0.806 146 Y N 0.382 120.704 120.300 0.036 0.000 2.300 146 Y HA 0.422 4.972 4.550 -0.000 0.000 0.328 146 Y C 1.094 177.002 175.900 0.014 0.000 1.270 146 Y CA -1.284 56.826 58.100 0.017 0.000 1.352 146 Y CB 1.135 39.597 38.460 0.004 0.000 1.286 146 Y HN 0.400 nan 8.280 nan 0.000 0.536 147 A N 2.750 125.671 122.820 0.168 0.000 2.342 147 A HA 0.428 4.748 4.320 -0.000 0.000 0.323 147 A C -0.982 176.627 177.584 0.042 0.000 1.125 147 A CA -1.077 51.010 52.037 0.084 0.000 0.785 147 A CB 0.710 19.743 19.000 0.055 0.000 1.221 147 A HN 0.749 nan 8.150 nan 0.000 0.463 148 K N 0.954 121.376 120.400 0.037 0.000 2.416 148 K HA 0.377 4.697 4.320 -0.000 0.000 0.283 148 K C 1.107 177.705 176.600 -0.003 0.000 1.037 148 K CA 1.116 57.414 56.287 0.019 0.000 0.995 148 K CB 0.421 32.939 32.500 0.030 0.000 0.938 148 K HN 1.507 nan 8.250 nan 0.000 0.475 149 G N 1.989 110.773 108.800 -0.026 0.000 2.179 149 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.260 149 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.260 149 G C 0.432 175.305 174.900 -0.047 0.000 0.977 149 G CA -0.077 45.002 45.100 -0.035 0.000 0.641 149 G HN 0.856 nan 8.290 nan 0.000 0.533 150 G N -0.671 108.098 108.800 -0.051 0.000 2.511 150 G HA2 0.597 4.557 3.960 -0.000 0.000 0.316 150 G HA3 0.597 4.557 3.960 -0.000 0.000 0.316 150 G C -0.236 174.604 174.900 -0.100 0.000 1.210 150 G CA -0.750 44.318 45.100 -0.053 0.000 0.969 150 G HN 0.321 nan 8.290 nan 0.000 0.492 151 K N 0.715 121.065 120.400 -0.084 0.000 2.299 151 K HA 0.331 4.651 4.320 -0.000 0.000 0.268 151 K C -0.622 175.895 176.600 -0.139 0.000 1.075 151 K CA -0.122 56.095 56.287 -0.117 0.000 0.936 151 K CB 1.382 33.841 32.500 -0.068 0.000 1.228 151 K HN 0.278 nan 8.250 nan 0.000 0.454 152 I N 1.851 122.272 120.570 -0.248 0.000 2.331 152 I HA 0.256 4.426 4.170 -0.000 0.000 0.292 152 I C 0.685 176.622 176.117 -0.300 0.000 0.998 152 I CA -0.425 60.671 61.300 -0.341 0.000 1.267 152 I CB 1.572 39.158 38.000 -0.689 0.000 1.386 152 I HN 0.551 nan 8.210 nan 0.000 0.476 153 G N 6.844 115.510 108.800 -0.223 0.000 2.452 153 G HA2 0.735 4.695 3.960 -0.000 0.000 0.324 153 G HA3 0.735 4.695 3.960 -0.000 0.000 0.324 153 G C -0.920 173.825 174.900 -0.257 0.000 1.214 153 G CA -0.558 44.343 45.100 -0.332 0.000 0.947 153 G HN 0.480 nan 8.290 nan 0.000 0.478 154 L N 2.175 123.214 121.223 -0.307 0.000 2.366 154 L HA 0.392 4.732 4.340 -0.000 0.000 0.266 154 L C -0.892 175.892 176.870 -0.143 0.000 1.010 154 L CA -0.610 54.177 54.840 -0.089 0.000 0.879 154 L CB 0.866 42.922 42.059 -0.005 0.000 1.228 154 L HN 0.330 nan 8.230 nan 0.000 0.439 155 F N 1.204 121.125 119.950 -0.049 0.000 2.399 155 F HA 0.715 5.242 4.527 -0.000 0.000 0.342 155 F C 1.097 176.879 175.800 -0.030 0.000 1.106 155 F CA -0.416 57.540 58.000 -0.074 0.000 1.196 155 F CB 1.517 40.449 39.000 -0.113 0.000 1.163 155 F HN 0.404 nan 8.300 nan 0.000 0.547 156 G N 0.479 109.345 108.800 0.110 0.000 2.702 156 G HA2 0.511 4.471 3.960 -0.000 0.000 0.296 156 G HA3 0.511 4.471 3.960 -0.000 0.000 0.296 156 G C -0.878 173.978 174.900 -0.073 0.000 1.463 156 G CA -0.496 44.633 45.100 0.048 0.000 0.890 156 G HN 0.914 nan 8.290 nan 0.000 0.534 157 G N -0.477 108.269 108.800 -0.090 0.000 2.547 157 G HA2 0.687 4.647 3.960 -0.000 0.000 0.291 157 G HA3 0.687 4.647 3.960 -0.000 0.000 0.291 157 G C 0.739 175.602 174.900 -0.060 0.000 1.211 157 G CA 0.300 45.275 45.100 -0.208 0.000 0.950 157 G HN 1.709 nan 8.290 nan 0.000 0.504 158 A N -0.850 121.973 122.820 0.005 0.000 2.563 158 A HA 0.467 4.787 4.320 -0.000 0.000 0.256 158 A C 1.660 179.314 177.584 0.117 0.000 1.056 158 A CA 1.280 53.450 52.037 0.221 0.000 0.775 158 A CB -0.925 18.230 19.000 0.258 0.000 0.973 158 A HN 2.610 nan 8.150 nan 0.000 0.516 159 G N 1.380 110.247 108.800 0.112 0.000 2.153 159 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.252 159 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.252 159 G C 0.689 175.627 174.900 0.064 0.000 0.994 159 G CA 0.440 45.581 45.100 0.067 0.000 0.698 159 G HN 1.200 nan 8.290 nan 0.000 0.521 160 V N -0.913 119.047 119.914 0.078 0.000 2.500 160 V HA 0.501 4.621 4.120 -0.000 0.000 0.243 160 V C 2.219 178.395 176.094 0.136 0.000 1.039 160 V CA 2.377 64.743 62.300 0.110 0.000 1.053 160 V CB 0.351 32.222 31.823 0.081 0.000 0.695 160 V HN 1.573 nan 8.190 nan 0.000 0.463 161 G N -1.151 107.703 108.800 0.091 0.000 4.362 161 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.220 161 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.220 161 G C 0.813 175.774 174.900 0.102 0.000 0.795 161 G CA 0.168 45.319 45.100 0.085 0.000 0.920 161 G HN 0.281 nan 8.290 nan 0.000 0.715 162 K N 0.584 121.043 120.400 0.099 0.000 1.988 162 K HA -0.132 4.188 4.320 -0.000 0.000 0.221 162 K C 2.505 179.171 176.600 0.109 0.000 1.053 162 K CA 2.203 58.551 56.287 0.101 0.000 0.959 162 K CB -0.617 31.936 32.500 0.089 0.000 0.728 162 K HN 0.211 nan 8.250 nan 0.000 0.447 163 T N 1.559 116.174 114.554 0.101 0.000 2.544 163 T HA -0.179 4.171 4.350 -0.000 0.000 0.264 163 T C 2.094 176.861 174.700 0.111 0.000 1.096 163 T CA 1.945 64.113 62.100 0.112 0.000 1.181 163 T CB -0.539 68.387 68.868 0.096 0.000 0.864 163 T HN -0.014 nan 8.240 nan 0.000 0.415 164 V N 1.433 121.394 119.914 0.079 0.000 2.370 164 V HA -0.182 3.938 4.120 -0.000 0.000 0.252 164 V C 2.417 178.632 176.094 0.202 0.000 1.068 164 V CA 1.592 63.955 62.300 0.104 0.000 1.061 164 V CB -0.759 31.081 31.823 0.030 0.000 0.656 164 V HN 0.293 nan 8.190 nan 0.000 0.455 165 L N -0.721 120.635 121.223 0.221 0.000 2.027 165 L HA -0.065 4.275 4.340 -0.000 0.000 0.206 165 L C 2.166 179.136 176.870 0.167 0.000 1.074 165 L CA 1.727 56.726 54.840 0.264 0.000 0.745 165 L CB -0.591 41.631 42.059 0.271 0.000 0.898 165 L HN 0.163 nan 8.230 nan 0.000 0.433 166 I N -0.813 119.850 120.570 0.155 0.000 2.208 166 I HA -0.314 3.856 4.170 -0.000 0.000 0.245 166 I C 2.306 178.477 176.117 0.090 0.000 1.097 166 I CA 1.238 62.633 61.300 0.159 0.000 1.363 166 I CB -0.251 37.850 38.000 0.169 0.000 1.051 166 I HN 0.333 nan 8.210 nan 0.000 0.413 167 M N -0.249 119.402 119.600 0.085 0.000 2.086 167 M HA -0.206 4.274 4.480 -0.000 0.000 0.261 167 M C 2.133 178.427 176.300 -0.010 0.000 1.067 167 M CA 1.580 56.897 55.300 0.028 0.000 1.116 167 M CB -1.518 31.117 32.600 0.057 0.000 1.348 167 M HN 0.084 nan 8.290 nan 0.000 0.407 168 E N 0.769 120.968 120.200 -0.002 0.000 2.110 168 E HA -0.085 4.265 4.350 -0.000 0.000 0.193 168 E C 2.053 178.587 176.600 -0.111 0.000 0.988 168 E CA 1.128 57.455 56.400 -0.123 0.000 0.804 168 E CB -0.400 29.064 29.700 -0.394 0.000 0.745 168 E HN 0.505 nan 8.360 nan 0.000 0.458 169 L N -0.074 121.138 121.223 -0.018 0.000 2.275 169 L HA -0.076 4.264 4.340 -0.000 0.000 0.215 169 L C 2.156 179.085 176.870 0.097 0.000 1.119 169 L CA 0.666 55.562 54.840 0.094 0.000 0.790 169 L CB -0.229 41.978 42.059 0.247 0.000 0.919 169 L HN 0.200 nan 8.230 nan 0.000 0.443 170 I N -0.757 119.768 120.570 -0.075 0.000 2.716 170 I HA -0.163 4.007 4.170 -0.000 0.000 0.259 170 I C 2.076 178.142 176.117 -0.085 0.000 1.172 170 I CA 0.567 61.727 61.300 -0.234 0.000 1.478 170 I CB -0.143 37.590 38.000 -0.445 0.000 1.104 170 I HN 0.271 nan 8.210 nan 0.000 0.439 171 N N 1.398 120.063 118.700 -0.059 0.000 2.132 171 N HA -0.127 4.613 4.740 -0.000 0.000 0.187 171 N C 1.503 177.003 175.510 -0.017 0.000 1.038 171 N CA 1.472 54.499 53.050 -0.037 0.000 0.846 171 N CB 0.000 38.462 38.487 -0.043 0.000 1.012 171 N HN 0.087 nan 8.380 nan 0.000 0.429 172 N N -0.875 117.807 118.700 -0.030 0.000 2.459 172 N HA -0.008 4.732 4.740 -0.000 0.000 0.181 172 N C 0.975 176.503 175.510 0.029 0.000 1.046 172 N CA 0.456 53.495 53.050 -0.019 0.000 0.904 172 N CB 0.335 38.782 38.487 -0.068 0.000 0.964 172 N HN 0.133 nan 8.380 nan 0.000 0.444 173 V N -0.446 119.507 119.914 0.066 0.000 3.001 173 V HA 0.253 4.373 4.120 -0.000 0.000 0.228 173 V C 2.060 178.235 176.094 0.135 0.000 1.204 173 V CA 0.789 63.156 62.300 0.111 0.000 1.247 173 V CB -0.927 30.989 31.823 0.155 0.000 1.093 173 V HN 0.136 nan 8.190 nan 0.000 0.504 174 A N 0.734 123.644 122.820 0.149 0.000 1.896 174 A HA -0.337 3.983 4.320 -0.000 0.000 0.220 174 A C 2.134 179.807 177.584 0.148 0.000 1.206 174 A CA 2.766 54.889 52.037 0.143 0.000 0.647 174 A CB -0.667 18.372 19.000 0.066 0.000 0.828 174 A HN 0.575 nan 8.150 nan 0.000 0.455 175 K N -0.589 119.863 120.400 0.086 0.000 2.044 175 K HA -0.092 4.228 4.320 -0.000 0.000 0.210 175 K C 1.728 178.379 176.600 0.085 0.000 1.049 175 K CA 1.312 57.641 56.287 0.070 0.000 0.927 175 K CB -0.364 32.156 32.500 0.035 0.000 0.713 175 K HN 0.441 nan 8.250 nan 0.000 0.443 176 A N 1.557 124.429 122.820 0.087 0.000 2.346 176 A HA -0.020 4.300 4.320 -0.000 0.000 0.242 176 A C -0.352 177.298 177.584 0.110 0.000 1.323 176 A CA 0.014 52.096 52.037 0.074 0.000 0.940 176 A CB -0.769 18.264 19.000 0.056 0.000 0.943 176 A HN 0.275 nan 8.150 nan 0.000 0.501 177 H N -0.780 118.305 119.070 0.025 0.000 2.467 177 H HA 0.520 5.075 4.556 -0.000 0.000 0.326 177 H C 0.585 175.910 175.328 -0.006 0.000 1.094 177 H CA 0.046 56.105 56.048 0.020 0.000 1.253 177 H CB 1.289 31.081 29.762 0.052 0.000 1.439 177 H HN 0.085 nan 8.280 nan 0.000 0.479 178 G N 3.285 111.777 108.800 -0.513 0.000 3.286 178 G HA2 0.530 4.490 3.960 -0.000 0.000 0.303 178 G HA3 0.530 4.490 3.960 -0.000 0.000 0.303 178 G C -0.017 174.552 174.900 -0.552 0.000 0.974 178 G CA 0.301 45.164 45.100 -0.394 0.000 1.635 178 G HN 0.931 nan 8.290 nan 0.000 0.535 179 G N 0.251 108.781 108.800 -0.450 0.000 2.336 179 G HA2 0.318 4.278 3.960 -0.000 0.000 0.286 179 G HA3 0.318 4.278 3.960 -0.000 0.000 0.286 179 G C -1.497 173.340 174.900 -0.105 0.000 1.269 179 G CA -0.997 43.854 45.100 -0.415 0.000 0.873 179 G HN 0.245 nan 8.290 nan 0.000 0.494 180 Y N 0.392 120.651 120.300 -0.068 0.000 2.361 180 Y HA 0.649 5.199 4.550 -0.000 0.000 0.332 180 Y C 0.645 176.533 175.900 -0.021 0.000 1.101 180 Y CA -0.723 57.259 58.100 -0.196 0.000 1.137 180 Y CB 2.236 40.214 38.460 -0.803 0.000 1.207 180 Y HN 0.428 nan 8.280 nan 0.000 0.463 181 S N 1.601 117.427 115.700 0.210 0.000 2.607 181 S HA 0.700 5.170 4.470 -0.000 0.000 0.303 181 S C -1.057 173.692 174.600 0.248 0.000 1.086 181 S CA -0.799 57.529 58.200 0.214 0.000 0.995 181 S CB 2.103 65.456 63.200 0.256 0.000 1.084 181 S HN 0.329 nan 8.310 nan 0.000 0.507 182 V N 2.368 122.439 119.914 0.261 0.000 2.569 182 V HA 0.439 4.559 4.120 -0.000 0.000 0.301 182 V C -1.387 174.857 176.094 0.251 0.000 1.044 182 V CA -0.597 61.851 62.300 0.246 0.000 0.874 182 V CB 1.320 33.261 31.823 0.197 0.000 1.002 182 V HN 0.860 nan 8.190 nan 0.000 0.424 183 F N 4.420 124.436 119.950 0.110 0.000 2.411 183 F HA 0.786 5.313 4.527 -0.000 0.000 0.352 183 F C 0.342 176.080 175.800 -0.104 0.000 1.123 183 F CA -0.443 57.591 58.000 0.057 0.000 1.044 183 F CB 1.190 40.200 39.000 0.017 0.000 1.135 183 F HN 0.554 nan 8.300 nan 0.000 0.461 184 A N 4.839 127.496 122.820 -0.272 0.000 2.267 184 A HA 0.626 4.946 4.320 -0.000 0.000 0.315 184 A C -0.062 177.320 177.584 -0.336 0.000 1.297 184 A CA -0.406 51.488 52.037 -0.238 0.000 0.865 184 A CB 0.332 19.209 19.000 -0.205 0.000 1.165 184 A HN 0.984 nan 8.150 nan 0.000 0.513 185 G N 1.053 109.552 108.800 -0.501 0.000 2.333 185 G HA2 0.506 4.466 3.960 -0.000 0.000 0.290 185 G HA3 0.506 4.466 3.960 -0.000 0.000 0.290 185 G C -0.683 174.140 174.900 -0.129 0.000 1.150 185 G CA -0.165 44.710 45.100 -0.374 0.000 0.895 185 G HN 0.783 nan 8.290 nan 0.000 0.444 186 V N 2.644 122.546 119.914 -0.020 0.000 2.380 186 V HA 0.593 4.713 4.120 -0.000 0.000 0.286 186 V C 1.018 177.151 176.094 0.065 0.000 1.015 186 V CA 0.249 62.561 62.300 0.020 0.000 0.834 186 V CB 0.823 32.644 31.823 -0.003 0.000 1.009 186 V HN 1.458 nan 8.190 nan 0.000 0.428 187 G N 3.199 112.045 108.800 0.077 0.000 2.168 187 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.257 187 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.257 187 G C 0.300 175.246 174.900 0.076 0.000 0.997 187 G CA 0.639 45.780 45.100 0.068 0.000 0.708 187 G HN 0.569 nan 8.290 nan 0.000 0.520 188 E N -0.369 119.897 120.200 0.110 0.000 3.751 188 E HA 0.414 4.764 4.350 -0.000 0.000 0.281 188 E C 0.966 177.632 176.600 0.110 0.000 1.086 188 E CA -0.734 55.732 56.400 0.111 0.000 1.579 188 E CB 0.333 30.122 29.700 0.149 0.000 1.666 188 E HN 0.390 nan 8.360 nan 0.000 0.655 189 R N 0.504 121.071 120.500 0.111 0.000 2.234 189 R HA 0.203 4.543 4.340 -0.000 0.000 0.324 189 R C 1.181 177.530 176.300 0.081 0.000 1.054 189 R CA -0.033 56.117 56.100 0.083 0.000 0.912 189 R CB 0.471 30.812 30.300 0.068 0.000 1.030 189 R HN 0.404 nan 8.270 nan 0.000 0.455 190 T N 3.039 117.621 114.554 0.046 0.000 2.684 190 T HA -0.203 4.147 4.350 -0.000 0.000 0.267 190 T C 1.628 176.306 174.700 -0.036 0.000 1.036 190 T CA 1.893 63.988 62.100 -0.009 0.000 1.148 190 T CB -0.107 68.746 68.868 -0.024 0.000 0.863 190 T HN 0.602 nan 8.240 nan 0.000 0.436 191 R N 2.010 122.508 120.500 -0.004 0.000 2.303 191 R HA -0.015 4.325 4.340 -0.000 0.000 0.225 191 R C 1.731 178.038 176.300 0.012 0.000 1.114 191 R CA 1.377 57.479 56.100 0.002 0.000 1.007 191 R CB -0.689 29.621 30.300 0.017 0.000 0.861 191 R HN 0.458 nan 8.270 nan 0.000 0.471 192 E N 0.272 120.487 120.200 0.024 0.000 2.112 192 E HA 0.002 4.352 4.350 -0.000 0.000 0.190 192 E C 2.096 178.696 176.600 -0.000 0.000 0.979 192 E CA 0.869 57.296 56.400 0.046 0.000 0.814 192 E CB -0.181 29.580 29.700 0.101 0.000 0.762 192 E HN 0.616 nan 8.360 nan 0.000 0.460 193 G N 1.750 110.495 108.800 -0.091 0.000 2.421 193 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.216 193 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.216 193 G C 1.424 176.181 174.900 -0.237 0.000 1.171 193 G CA 1.191 46.059 45.100 -0.387 0.000 0.775 193 G HN 0.208 nan 8.290 nan 0.000 0.543 194 N N 1.126 119.742 118.700 -0.141 0.000 2.037 194 N HA -0.155 4.585 4.740 -0.000 0.000 0.196 194 N C 1.740 177.346 175.510 0.159 0.000 1.034 194 N CA 2.099 55.171 53.050 0.038 0.000 0.861 194 N CB -0.343 38.183 38.487 0.066 0.000 1.039 194 N HN 0.211 nan 8.380 nan 0.000 0.427 195 D N -0.156 120.292 120.400 0.081 0.000 2.087 195 D HA -0.158 4.482 4.640 -0.000 0.000 0.192 195 D C 2.014 178.339 176.300 0.042 0.000 0.993 195 D CA 0.941 54.989 54.000 0.079 0.000 0.828 195 D CB -0.671 40.157 40.800 0.047 0.000 0.968 195 D HN 0.273 nan 8.370 nan 0.000 0.448 196 L N 0.288 121.494 121.223 -0.028 0.000 1.971 196 L HA -0.248 4.092 4.340 -0.000 0.000 0.215 196 L C 2.354 179.189 176.870 -0.058 0.000 1.072 196 L CA 1.660 56.438 54.840 -0.102 0.000 0.758 196 L CB -1.030 40.875 42.059 -0.257 0.000 0.889 196 L HN 0.038 nan 8.230 nan 0.000 0.433 197 Y N 0.385 120.549 120.300 -0.226 0.000 2.040 197 Y HA -0.362 4.187 4.550 -0.000 0.000 0.275 197 Y C 2.707 178.428 175.900 -0.300 0.000 1.171 197 Y CA 2.483 60.407 58.100 -0.294 0.000 1.123 197 Y CB -0.868 37.334 38.460 -0.430 0.000 0.963 197 Y HN 0.500 nan 8.280 nan 0.000 0.493 198 H N -1.077 117.957 119.070 -0.060 0.000 2.521 198 H HA -0.047 4.509 4.556 -0.000 0.000 0.286 198 H C 2.153 177.408 175.328 -0.121 0.000 1.034 198 H CA 1.176 57.138 56.048 -0.144 0.000 1.278 198 H CB 0.013 29.736 29.762 -0.065 0.000 1.386 198 H HN 0.513 nan 8.280 nan 0.000 0.567 199 E N 0.463 120.657 120.200 -0.010 0.000 2.170 199 E HA -0.100 4.249 4.350 -0.000 0.000 0.191 199 E C 1.712 178.273 176.600 -0.064 0.000 0.981 199 E CA 0.470 56.855 56.400 -0.025 0.000 0.830 199 E CB 0.163 29.849 29.700 -0.022 0.000 0.775 199 E HN 0.455 nan 8.360 nan 0.000 0.470 200 M N 0.166 119.704 119.600 -0.104 0.000 2.193 200 M HA -0.047 4.433 4.480 -0.000 0.000 0.265 200 M C 2.228 178.449 176.300 -0.133 0.000 1.071 200 M CA 1.015 56.251 55.300 -0.107 0.000 1.140 200 M CB -0.100 32.441 32.600 -0.098 0.000 1.369 200 M HN 0.162 nan 8.290 nan 0.000 0.423 201 I N 0.094 120.531 120.570 -0.221 0.000 2.361 201 I HA -0.260 3.910 4.170 -0.000 0.000 0.251 201 I C 2.407 178.456 176.117 -0.114 0.000 1.133 201 I CA 1.195 62.365 61.300 -0.215 0.000 1.413 201 I CB -0.296 37.501 38.000 -0.338 0.000 1.073 201 I HN 0.382 nan 8.210 nan 0.000 0.424 202 E N 0.895 121.045 120.200 -0.083 0.000 2.001 202 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 202 E C 2.308 178.884 176.600 -0.040 0.000 0.994 202 E CA 1.796 58.168 56.400 -0.047 0.000 0.815 202 E CB -0.023 29.659 29.700 -0.029 0.000 0.770 202 E HN 0.430 nan 8.360 nan 0.000 0.453 203 S N -0.816 114.861 115.700 -0.037 0.000 2.440 203 S HA -0.104 4.366 4.470 -0.000 0.000 0.240 203 S C 1.638 176.223 174.600 -0.025 0.000 1.014 203 S CA 1.372 59.556 58.200 -0.026 0.000 0.980 203 S CB -0.325 62.860 63.200 -0.025 0.000 0.775 203 S HN 0.661 nan 8.310 nan 0.000 0.499 204 G N -0.146 108.631 108.800 -0.038 0.000 2.176 204 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.232 204 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.232 204 G C 0.786 175.673 174.900 -0.023 0.000 0.986 204 G CA 0.433 45.513 45.100 -0.032 0.000 0.643 204 G HN 1.522 nan 8.290 nan 0.000 0.522 205 V N -1.624 118.277 119.914 -0.021 0.000 3.078 205 V HA 0.373 4.493 4.120 -0.000 0.000 0.265 205 V C 1.007 177.098 176.094 -0.005 0.000 1.122 205 V CA 1.027 63.328 62.300 0.001 0.000 1.141 205 V CB -0.251 31.578 31.823 0.009 0.000 0.735 205 V HN 0.389 nan 8.190 nan 0.000 0.498 206 I N 2.078 122.625 120.570 -0.039 0.000 2.465 206 I HA 0.546 4.716 4.170 -0.000 0.000 0.291 206 I C -0.870 175.208 176.117 -0.065 0.000 1.014 206 I CA -0.179 61.091 61.300 -0.051 0.000 1.093 206 I CB 1.515 39.449 38.000 -0.110 0.000 1.267 206 I HN 0.250 nan 8.210 nan 0.000 0.431 207 N N 6.451 125.127 118.700 -0.041 0.000 2.410 207 N HA 0.390 5.130 4.740 -0.000 0.000 0.287 207 N C 0.131 175.624 175.510 -0.029 0.000 1.044 207 N CA -0.425 52.602 53.050 -0.038 0.000 0.881 207 N CB 2.113 40.589 38.487 -0.019 0.000 1.405 207 N HN 0.513 nan 8.380 nan 0.000 0.490 208 L N 1.858 123.059 121.223 -0.037 0.000 2.558 208 L HA 0.135 4.475 4.340 -0.000 0.000 0.225 208 L C 1.594 178.460 176.870 -0.008 0.000 1.128 208 L CA 0.405 55.234 54.840 -0.018 0.000 0.868 208 L CB 0.012 42.056 42.059 -0.025 0.000 1.006 208 L HN 0.338 nan 8.230 nan 0.000 0.454 209 K N -0.336 120.058 120.400 -0.010 0.000 2.290 209 K HA 0.197 4.517 4.320 -0.000 0.000 0.225 209 K C 0.320 176.919 176.600 -0.002 0.000 1.060 209 K CA 0.280 56.564 56.287 -0.005 0.000 0.903 209 K CB 0.040 32.536 32.500 -0.006 0.000 1.158 209 K HN 0.070 nan 8.250 nan 0.000 0.460 210 D N 1.175 121.573 120.400 -0.002 0.000 2.339 210 D HA 0.161 4.801 4.640 -0.000 0.000 0.245 210 D C -0.333 175.968 176.300 0.003 0.000 1.115 210 D CA 0.074 54.075 54.000 0.002 0.000 0.917 210 D CB 1.206 42.007 40.800 0.002 0.000 1.192 210 D HN 0.115 nan 8.370 nan 0.000 0.428 211 A N 1.153 123.978 122.820 0.007 0.000 3.126 211 A HA 0.234 4.554 4.320 -0.000 0.000 0.268 211 A C 0.974 178.567 177.584 0.016 0.000 1.605 211 A CA -0.381 51.660 52.037 0.008 0.000 1.305 211 A CB -0.650 18.356 19.000 0.010 0.000 1.160 211 A HN 0.528 nan 8.150 nan 0.000 0.609 212 T N -2.749 111.813 114.554 0.014 0.000 3.043 212 T HA 0.167 4.517 4.350 -0.000 0.000 0.272 212 T C 0.620 175.338 174.700 0.029 0.000 0.990 212 T CA 0.363 62.479 62.100 0.028 0.000 0.897 212 T CB -0.413 68.468 68.868 0.023 0.000 1.111 212 T HN 0.389 nan 8.240 nan 0.000 0.529 213 S N 2.032 117.736 115.700 0.008 0.000 2.558 213 S HA 0.270 4.740 4.470 -0.000 0.000 0.287 213 S C 0.495 175.097 174.600 0.002 0.000 1.321 213 S CA -0.475 57.726 58.200 0.002 0.000 1.048 213 S CB 0.801 63.995 63.200 -0.010 0.000 0.844 213 S HN 0.234 nan 8.310 nan 0.000 0.512 214 K N 0.184 120.604 120.400 0.034 0.000 2.477 214 K HA 0.339 4.659 4.320 -0.000 0.000 0.208 214 K C -0.934 175.709 176.600 0.072 0.000 1.117 214 K CA 0.086 56.427 56.287 0.091 0.000 1.039 214 K CB 0.963 33.562 32.500 0.166 0.000 0.937 214 K HN 0.494 nan 8.250 nan 0.000 0.570 215 V N 0.721 120.666 119.914 0.051 0.000 2.604 215 V HA 0.765 4.885 4.120 -0.000 0.000 0.305 215 V C -0.699 175.462 176.094 0.112 0.000 1.043 215 V CA -1.550 60.811 62.300 0.102 0.000 0.888 215 V CB 1.688 33.576 31.823 0.109 0.000 0.995 215 V HN 0.056 nan 8.190 nan 0.000 0.429 216 A N 5.460 128.382 122.820 0.171 0.000 2.303 216 A HA 0.894 5.214 4.320 -0.000 0.000 0.320 216 A C -0.837 176.853 177.584 0.177 0.000 1.192 216 A CA -0.503 51.636 52.037 0.171 0.000 0.821 216 A CB 0.698 19.843 19.000 0.242 0.000 1.188 216 A HN 0.830 nan 8.150 nan 0.000 0.492 217 L N 3.221 124.538 121.223 0.156 0.000 2.305 217 L HA 0.548 4.888 4.340 -0.000 0.000 0.284 217 L C -0.820 176.147 176.870 0.162 0.000 1.013 217 L CA -0.838 54.121 54.840 0.198 0.000 0.819 217 L CB 1.711 43.928 42.059 0.263 0.000 1.227 217 L HN 0.400 nan 8.230 nan 0.000 0.417 218 V N 3.515 123.484 119.914 0.093 0.000 2.417 218 V HA 0.465 4.584 4.120 -0.000 0.000 0.291 218 V C -1.020 175.061 176.094 -0.021 0.000 1.024 218 V CA -0.545 61.785 62.300 0.050 0.000 0.861 218 V CB 1.727 33.545 31.823 -0.009 0.000 0.985 218 V HN 0.441 nan 8.190 nan 0.000 0.436 219 Y N 1.559 121.875 120.300 0.027 0.000 2.477 219 Y HA 0.733 5.283 4.550 -0.000 0.000 0.347 219 Y C 0.536 176.447 175.900 0.018 0.000 0.981 219 Y CA -0.617 57.503 58.100 0.034 0.000 1.033 219 Y CB 2.800 41.262 38.460 0.004 0.000 1.245 219 Y HN 0.670 nan 8.280 nan 0.000 0.455 220 G N 3.398 112.316 108.800 0.197 0.000 3.846 220 G HA2 0.199 4.159 3.960 -0.000 0.000 0.281 220 G HA3 0.199 4.159 3.960 -0.000 0.000 0.281 220 G C -0.950 174.025 174.900 0.125 0.000 1.384 220 G CA -0.592 44.581 45.100 0.122 0.000 0.641 220 G HN 0.303 nan 8.290 nan 0.000 0.458 221 Q N 0.699 120.595 119.800 0.160 0.000 2.841 221 Q HA 0.108 4.447 4.340 -0.000 0.000 0.198 221 Q C 2.130 178.177 176.000 0.077 0.000 1.135 221 Q CA -0.272 55.614 55.803 0.137 0.000 1.167 221 Q CB 0.371 29.193 28.738 0.140 0.000 1.288 221 Q HN 0.728 nan 8.270 nan 0.000 0.670 222 M N -0.850 118.789 119.600 0.064 0.000 2.748 222 M HA -0.046 4.434 4.480 -0.000 0.000 0.241 222 M C 0.452 176.768 176.300 0.027 0.000 1.080 222 M CA 1.545 56.868 55.300 0.037 0.000 1.068 222 M CB -0.733 31.884 32.600 0.027 0.000 1.536 222 M HN 0.538 nan 8.290 nan 0.000 0.540 223 N N -0.828 117.890 118.700 0.030 0.000 2.325 223 N HA 0.097 4.837 4.740 -0.000 0.000 0.182 223 N C -0.117 175.404 175.510 0.018 0.000 1.088 223 N CA -0.300 52.762 53.050 0.020 0.000 0.879 223 N CB 0.212 38.709 38.487 0.017 0.000 0.983 223 N HN 0.266 nan 8.380 nan 0.000 0.471 224 E N 1.740 121.955 120.200 0.024 0.000 2.349 224 E HA 0.266 4.616 4.350 -0.000 0.000 0.262 224 E C -2.218 174.389 176.600 0.013 0.000 1.088 224 E CA -2.050 54.362 56.400 0.021 0.000 0.899 224 E CB 0.675 30.394 29.700 0.031 0.000 1.044 224 E HN 0.193 nan 8.360 nan 0.000 0.420 225 P HA 0.095 nan 4.420 nan 0.000 0.274 225 P C -1.927 175.372 177.300 -0.002 0.000 1.237 225 P CA -1.247 61.855 63.100 0.003 0.000 0.793 225 P CB 0.403 32.105 31.700 0.004 0.000 0.977 226 P HA -0.257 nan 4.420 nan 0.000 0.218 226 P C 1.613 178.897 177.300 -0.026 0.000 1.154 226 P CA 2.310 65.392 63.100 -0.030 0.000 0.872 226 P CB -0.719 30.959 31.700 -0.036 0.000 0.790 227 G N -0.000 108.794 108.800 -0.009 0.000 2.422 227 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.218 227 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.218 227 G C 1.805 176.716 174.900 0.019 0.000 1.146 227 G CA 1.217 46.320 45.100 0.005 0.000 0.769 227 G HN 0.445 nan 8.290 nan 0.000 0.547 228 A N 0.882 123.713 122.820 0.020 0.000 1.826 228 A HA 0.079 4.399 4.320 -0.000 0.000 0.214 228 A C 2.358 179.964 177.584 0.036 0.000 1.212 228 A CA 1.522 53.577 52.037 0.030 0.000 0.605 228 A CB -0.534 18.483 19.000 0.028 0.000 0.861 228 A HN 0.274 nan 8.150 nan 0.000 0.447 229 R N -0.457 120.059 120.500 0.027 0.000 2.185 229 R HA -0.191 4.149 4.340 -0.000 0.000 0.247 229 R C 2.085 178.414 176.300 0.049 0.000 1.159 229 R CA 1.174 57.293 56.100 0.032 0.000 0.988 229 R CB -0.429 29.875 30.300 0.007 0.000 0.871 229 R HN 0.541 nan 8.270 nan 0.000 0.458 230 A N 0.085 122.914 122.820 0.016 0.000 2.119 230 A HA -0.010 4.310 4.320 -0.000 0.000 0.216 230 A C 1.687 179.393 177.584 0.204 0.000 1.152 230 A CA 0.732 52.763 52.037 -0.011 0.000 0.708 230 A CB 0.178 19.112 19.000 -0.110 0.000 0.805 230 A HN 0.088 nan 8.150 nan 0.000 0.460 231 R N -1.316 119.273 120.500 0.148 0.000 2.453 231 R HA 0.134 4.474 4.340 -0.000 0.000 0.233 231 R C 1.657 177.981 176.300 0.040 0.000 0.895 231 R CA 0.924 57.093 56.100 0.115 0.000 1.028 231 R CB -0.339 29.996 30.300 0.058 0.000 1.255 231 R HN 0.366 nan 8.270 nan 0.000 0.571 232 V N 1.635 121.576 119.914 0.046 0.000 2.317 232 V HA -0.281 3.839 4.120 -0.000 0.000 0.251 232 V C 2.612 178.679 176.094 -0.045 0.000 1.065 232 V CA 2.279 64.581 62.300 0.004 0.000 1.049 232 V CB -1.045 30.788 31.823 0.018 0.000 0.651 232 V HN 0.251 nan 8.190 nan 0.000 0.450 233 A N 0.233 123.022 122.820 -0.051 0.000 1.917 233 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 233 A C 2.236 179.706 177.584 -0.191 0.000 1.182 233 A CA 2.122 54.066 52.037 -0.155 0.000 0.633 233 A CB -0.618 18.224 19.000 -0.263 0.000 0.819 233 A HN 0.537 nan 8.150 nan 0.000 0.448 234 L N -0.850 120.260 121.223 -0.187 0.000 2.131 234 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 234 L C 2.718 179.494 176.870 -0.156 0.000 1.092 234 L CA 1.751 56.469 54.840 -0.204 0.000 0.759 234 L CB -1.151 40.756 42.059 -0.253 0.000 0.903 234 L HN 0.375 nan 8.230 nan 0.000 0.435 235 T N -0.180 114.302 114.554 -0.119 0.000 2.701 235 T HA -0.090 4.260 4.350 -0.000 0.000 0.263 235 T C 1.882 176.531 174.700 -0.085 0.000 1.040 235 T CA 1.368 63.414 62.100 -0.091 0.000 1.147 235 T CB -0.506 68.326 68.868 -0.059 0.000 0.865 235 T HN 0.524 nan 8.240 nan 0.000 0.426 236 G N 1.524 110.273 108.800 -0.084 0.000 2.422 236 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.218 236 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.218 236 G C 1.519 176.372 174.900 -0.077 0.000 1.146 236 G CA 0.555 45.611 45.100 -0.072 0.000 0.769 236 G HN 0.326 nan 8.290 nan 0.000 0.547 237 L N 1.105 122.262 121.223 -0.110 0.000 2.017 237 L HA -0.024 4.316 4.340 -0.000 0.000 0.208 237 L C 2.952 179.774 176.870 -0.081 0.000 1.073 237 L CA 2.408 57.181 54.840 -0.112 0.000 0.745 237 L CB -1.181 40.785 42.059 -0.155 0.000 0.894 237 L HN 0.190 nan 8.230 nan 0.000 0.432 238 T N -1.262 113.240 114.554 -0.087 0.000 2.788 238 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 238 T C 1.986 176.644 174.700 -0.070 0.000 1.044 238 T CA 1.453 63.511 62.100 -0.070 0.000 1.139 238 T CB -0.258 68.564 68.868 -0.077 0.000 0.867 238 T HN 0.181 nan 8.240 nan 0.000 0.454 239 V N 1.332 121.192 119.914 -0.091 0.000 2.626 239 V HA -0.084 4.036 4.120 -0.000 0.000 0.252 239 V C 2.694 178.727 176.094 -0.102 0.000 1.067 239 V CA 1.473 63.683 62.300 -0.150 0.000 1.081 239 V CB -0.913 30.842 31.823 -0.113 0.000 0.686 239 V HN 0.512 nan 8.190 nan 0.000 0.468 240 A N -0.458 122.370 122.820 0.013 0.000 1.930 240 A HA -0.122 4.198 4.320 -0.000 0.000 0.215 240 A C 2.145 179.787 177.584 0.097 0.000 1.176 240 A CA 1.150 53.259 52.037 0.120 0.000 0.632 240 A CB -0.303 18.733 19.000 0.060 0.000 0.819 240 A HN 0.565 nan 8.150 nan 0.000 0.445 241 E N -1.329 118.887 120.200 0.025 0.000 2.110 241 E HA -0.232 4.118 4.350 -0.000 0.000 0.193 241 E C 1.793 178.406 176.600 0.021 0.000 0.988 241 E CA 1.520 57.929 56.400 0.016 0.000 0.804 241 E CB -0.341 29.356 29.700 -0.006 0.000 0.745 241 E HN 0.804 nan 8.360 nan 0.000 0.458 242 Y N 0.674 120.905 120.300 -0.115 0.000 2.114 242 Y HA -0.258 4.292 4.550 -0.000 0.000 0.284 242 Y C 1.892 177.780 175.900 -0.020 0.000 1.143 242 Y CA 1.710 59.724 58.100 -0.144 0.000 1.135 242 Y CB -0.526 37.734 38.460 -0.333 0.000 0.980 242 Y HN -0.038 nan 8.280 nan 0.000 0.499 243 F N 0.126 120.181 119.950 0.176 0.000 2.161 243 F HA -0.241 4.286 4.527 -0.000 0.000 0.300 243 F C 2.802 178.590 175.800 -0.021 0.000 1.089 243 F CA 1.349 59.426 58.000 0.128 0.000 1.282 243 F CB -0.302 38.865 39.000 0.279 0.000 1.010 243 F HN 0.032 nan 8.300 nan 0.000 0.485 244 R N 0.648 121.240 120.500 0.153 0.000 2.055 244 R HA -0.128 4.212 4.340 -0.000 0.000 0.228 244 R C 1.720 178.005 176.300 -0.026 0.000 1.143 244 R CA 1.983 58.116 56.100 0.054 0.000 0.945 244 R CB -0.279 30.042 30.300 0.036 0.000 0.841 244 R HN 0.167 nan 8.270 nan 0.000 0.429 245 D N 0.560 120.918 120.400 -0.070 0.000 2.165 245 D HA -0.091 4.549 4.640 -0.000 0.000 0.213 245 D C 1.346 177.547 176.300 -0.165 0.000 0.983 245 D CA 0.727 54.669 54.000 -0.096 0.000 0.881 245 D CB -0.359 40.396 40.800 -0.074 0.000 1.028 245 D HN 0.196 nan 8.370 nan 0.000 0.457 246 Q N 0.686 120.300 119.800 -0.310 0.000 2.425 246 Q HA 0.004 4.344 4.340 -0.000 0.000 0.213 246 Q C 0.431 176.170 176.000 -0.434 0.000 0.950 246 Q CA 0.614 56.166 55.803 -0.419 0.000 0.979 246 Q CB 0.065 28.413 28.738 -0.650 0.000 0.997 246 Q HN 0.548 nan 8.270 nan 0.000 0.509 247 E N -1.604 118.454 120.200 -0.237 0.000 2.318 247 E HA 0.093 4.443 4.350 -0.000 0.000 0.180 247 E C -0.050 176.521 176.600 -0.048 0.000 0.931 247 E CA 0.317 56.658 56.400 -0.099 0.000 1.396 247 E CB 0.360 30.059 29.700 -0.003 0.000 2.229 247 E HN 0.346 nan 8.360 nan 0.000 0.855 248 G N 3.127 111.893 108.800 -0.056 0.000 2.325 248 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.274 248 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.274 248 G C -0.226 174.649 174.900 -0.043 0.000 0.921 248 G CA 1.140 46.215 45.100 -0.042 0.000 1.340 248 G HN 0.059 nan 8.290 nan 0.000 0.447 249 Q N 0.042 119.824 119.800 -0.030 0.000 2.587 249 Q HA 0.396 4.736 4.340 -0.000 0.000 0.293 249 Q C -0.760 175.222 176.000 -0.029 0.000 1.083 249 Q CA -0.898 54.864 55.803 -0.068 0.000 0.792 249 Q CB 1.456 30.117 28.738 -0.128 0.000 1.484 249 Q HN 0.405 nan 8.270 nan 0.000 0.446 250 D N 1.366 121.740 120.400 -0.043 0.000 2.339 250 D HA 0.267 4.907 4.640 -0.000 0.000 0.241 250 D C -0.568 175.811 176.300 0.131 0.000 1.183 250 D CA 0.004 54.025 54.000 0.035 0.000 0.859 250 D CB 1.215 42.036 40.800 0.035 0.000 1.067 250 D HN 0.061 nan 8.370 nan 0.000 0.484 251 V N 4.009 123.985 119.914 0.103 0.000 2.394 251 V HA 0.285 4.405 4.120 -0.000 0.000 0.282 251 V C 0.548 176.644 176.094 0.003 0.000 1.031 251 V CA -0.750 61.620 62.300 0.116 0.000 0.881 251 V CB 1.785 33.697 31.823 0.148 0.000 0.982 251 V HN 0.347 nan 8.190 nan 0.000 0.451 252 L N 5.399 126.582 121.223 -0.066 0.000 2.289 252 L HA 0.543 4.883 4.340 -0.000 0.000 0.285 252 L C -0.686 176.080 176.870 -0.174 0.000 1.049 252 L CA -0.556 54.128 54.840 -0.260 0.000 0.804 252 L CB 1.572 43.418 42.059 -0.355 0.000 1.195 252 L HN 0.518 nan 8.230 nan 0.000 0.428 253 L N 4.694 125.711 121.223 -0.344 0.000 2.377 253 L HA 0.512 4.852 4.340 -0.000 0.000 0.270 253 L C -1.188 175.423 176.870 -0.432 0.000 0.991 253 L CA 0.100 54.797 54.840 -0.238 0.000 0.851 253 L CB 0.860 42.818 42.059 -0.167 0.000 1.218 253 L HN 0.173 nan 8.230 nan 0.000 0.420 254 F N 5.431 125.227 119.950 -0.258 0.000 2.385 254 F HA 0.608 5.135 4.527 -0.000 0.000 0.336 254 F C 0.264 175.677 175.800 -0.644 0.000 1.100 254 F CA -0.385 57.354 58.000 -0.435 0.000 1.116 254 F CB 1.339 40.048 39.000 -0.485 0.000 1.166 254 F HN 0.229 nan 8.300 nan 0.000 0.511 255 I N 2.501 122.822 120.570 -0.416 0.000 2.503 255 I HA 0.135 4.305 4.170 -0.000 0.000 0.282 255 I C -1.016 174.889 176.117 -0.353 0.000 1.059 255 I CA -0.587 60.456 61.300 -0.429 0.000 1.081 255 I CB 1.456 39.286 38.000 -0.282 0.000 1.210 255 I HN 0.459 nan 8.210 nan 0.000 0.450 256 D N 7.718 127.884 120.400 -0.391 0.000 2.352 256 D HA 0.096 4.736 4.640 -0.000 0.000 0.245 256 D C -0.151 176.134 176.300 -0.025 0.000 1.224 256 D CA 0.459 54.397 54.000 -0.103 0.000 0.879 256 D CB 0.470 41.342 40.800 0.121 0.000 1.057 256 D HN 0.529 nan 8.370 nan 0.000 0.491 257 N N 3.458 122.151 118.700 -0.012 0.000 2.371 257 N HA -0.217 4.523 4.740 -0.000 0.000 0.286 257 N C 0.535 176.081 175.510 0.060 0.000 1.438 257 N CA -0.002 53.082 53.050 0.057 0.000 0.640 257 N CB -0.357 38.214 38.487 0.139 0.000 0.914 257 N HN 0.481 nan 8.380 nan 0.000 0.495 258 I N 3.001 123.588 120.570 0.027 0.000 3.251 258 I HA 0.027 4.197 4.170 -0.000 0.000 0.277 258 I C 1.798 177.995 176.117 0.133 0.000 1.268 258 I CA 0.522 61.831 61.300 0.016 0.000 1.449 258 I CB -0.278 37.662 38.000 -0.099 0.000 1.083 258 I HN 0.561 nan 8.210 nan 0.000 0.464 259 F N 1.317 121.298 119.950 0.051 0.000 2.216 259 F HA -0.162 4.365 4.527 -0.000 0.000 0.300 259 F C 2.201 178.077 175.800 0.127 0.000 1.085 259 F CA 1.321 59.387 58.000 0.110 0.000 1.326 259 F CB -0.286 38.814 39.000 0.167 0.000 1.027 259 F HN -0.058 nan 8.300 nan 0.000 0.497 260 R N 0.090 120.608 120.500 0.030 0.000 2.120 260 R HA -0.192 4.148 4.340 -0.000 0.000 0.234 260 R C 2.169 178.394 176.300 -0.125 0.000 1.123 260 R CA 1.438 57.483 56.100 -0.091 0.000 0.975 260 R CB -1.720 28.616 30.300 0.061 0.000 0.866 260 R HN 0.510 nan 8.270 nan 0.000 0.446 261 F N 1.544 121.395 119.950 -0.166 0.000 2.171 261 F HA -0.162 4.365 4.527 -0.000 0.000 0.300 261 F C 1.844 177.549 175.800 -0.159 0.000 1.090 261 F CA 1.525 59.444 58.000 -0.135 0.000 1.293 261 F CB -0.183 38.750 39.000 -0.112 0.000 1.013 261 F HN -0.125 nan 8.300 nan 0.000 0.486 262 T N 0.057 114.422 114.554 -0.315 0.000 2.809 262 T HA -0.167 4.183 4.350 -0.000 0.000 0.260 262 T C 1.855 176.343 174.700 -0.352 0.000 1.039 262 T CA 1.230 63.096 62.100 -0.389 0.000 1.141 262 T CB -0.350 68.389 68.868 -0.215 0.000 0.869 262 T HN 0.422 nan 8.240 nan 0.000 0.437 263 Q N 1.048 120.533 119.800 -0.525 0.000 2.045 263 Q HA -0.201 4.139 4.340 -0.000 0.000 0.206 263 Q C 2.461 178.328 176.000 -0.221 0.000 0.991 263 Q CA 1.954 57.527 55.803 -0.383 0.000 0.851 263 Q CB -0.392 28.004 28.738 -0.571 0.000 0.911 263 Q HN 0.502 nan 8.270 nan 0.000 0.418 264 A N 0.552 123.226 122.820 -0.242 0.000 1.892 264 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 264 A C 2.349 179.817 177.584 -0.194 0.000 1.188 264 A CA 1.886 53.816 52.037 -0.178 0.000 0.631 264 A CB -1.643 17.261 19.000 -0.159 0.000 0.822 264 A HN 0.663 nan 8.150 nan 0.000 0.447 265 G N -0.798 107.820 108.800 -0.303 0.000 2.475 265 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.220 265 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.220 265 G C 1.766 176.587 174.900 -0.131 0.000 1.125 265 G CA 1.462 46.401 45.100 -0.268 0.000 0.755 265 G HN 0.524 nan 8.290 nan 0.000 0.565 266 S N 0.553 116.200 115.700 -0.088 0.000 2.371 266 S HA -0.046 4.424 4.470 -0.000 0.000 0.224 266 S C 2.103 176.665 174.600 -0.064 0.000 1.029 266 S CA 1.316 59.490 58.200 -0.043 0.000 0.978 266 S CB -0.203 62.965 63.200 -0.054 0.000 0.833 266 S HN 0.632 nan 8.310 nan 0.000 0.466 267 E N 1.038 121.194 120.200 -0.074 0.000 2.038 267 E HA -0.162 4.188 4.350 -0.000 0.000 0.195 267 E C 2.371 178.944 176.600 -0.045 0.000 1.000 267 E CA 1.701 58.066 56.400 -0.057 0.000 0.803 267 E CB -0.495 29.173 29.700 -0.053 0.000 0.750 267 E HN 0.560 nan 8.360 nan 0.000 0.448 268 V N -0.870 119.014 119.914 -0.050 0.000 2.453 268 V HA -0.173 3.947 4.120 -0.000 0.000 0.247 268 V C 2.333 178.410 176.094 -0.028 0.000 1.048 268 V CA 1.883 64.162 62.300 -0.036 0.000 1.049 268 V CB -0.249 31.551 31.823 -0.038 0.000 0.672 268 V HN 0.216 nan 8.190 nan 0.000 0.457 269 S N 1.249 116.928 115.700 -0.034 0.000 2.374 269 S HA -0.235 4.235 4.470 -0.000 0.000 0.227 269 S C 2.182 176.775 174.600 -0.012 0.000 1.037 269 S CA 2.278 60.467 58.200 -0.020 0.000 1.024 269 S CB -0.780 62.412 63.200 -0.014 0.000 0.861 269 S HN 1.156 nan 8.310 nan 0.000 0.456 270 A N 1.695 124.504 122.820 -0.018 0.000 1.859 270 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 270 A C 2.262 179.841 177.584 -0.009 0.000 1.198 270 A CA 1.881 53.909 52.037 -0.015 0.000 0.629 270 A CB -1.087 17.899 19.000 -0.023 0.000 0.830 270 A HN 0.610 nan 8.150 nan 0.000 0.446 271 L N -0.567 120.650 121.223 -0.010 0.000 2.362 271 L HA -0.071 4.269 4.340 -0.000 0.000 0.219 271 L C 2.098 178.967 176.870 -0.000 0.000 1.134 271 L CA 0.364 55.201 54.840 -0.005 0.000 0.807 271 L CB -0.413 41.642 42.059 -0.006 0.000 0.927 271 L HN 0.372 nan 8.230 nan 0.000 0.447 272 L N -0.247 120.975 121.223 -0.001 0.000 2.465 272 L HA 0.040 4.380 4.340 -0.000 0.000 0.224 272 L C 1.433 178.308 176.870 0.007 0.000 1.145 272 L CA 0.726 55.569 54.840 0.005 0.000 0.834 272 L CB -0.471 41.589 42.059 0.002 0.000 0.944 272 L HN 0.497 nan 8.230 nan 0.000 0.451 273 G N 0.531 109.334 108.800 0.005 0.000 2.131 273 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.201 273 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.201 273 G C 0.070 174.975 174.900 0.008 0.000 1.000 273 G CA -0.456 44.649 45.100 0.007 0.000 0.680 273 G HN 0.275 nan 8.290 nan 0.000 0.514 274 R N -0.262 120.242 120.500 0.007 0.000 2.297 274 R HA 0.629 4.969 4.340 -0.000 0.000 0.308 274 R C 1.025 177.331 176.300 0.011 0.000 1.029 274 R CA -0.646 55.460 56.100 0.009 0.000 0.929 274 R CB 0.796 31.102 30.300 0.010 0.000 1.046 274 R HN 0.325 nan 8.270 nan 0.000 0.461 275 I N 5.912 126.490 120.570 0.013 0.000 2.648 275 I HA 0.063 4.233 4.170 -0.000 0.000 0.284 275 I C -1.534 174.595 176.117 0.019 0.000 1.153 275 I CA -1.325 59.983 61.300 0.014 0.000 1.426 275 I CB 0.557 38.566 38.000 0.015 0.000 1.381 275 I HN 0.387 nan 8.210 nan 0.000 0.571 276 P HA 0.090 nan 4.420 nan 0.000 0.278 276 P C -0.505 176.821 177.300 0.043 0.000 1.238 276 P CA -0.295 62.822 63.100 0.029 0.000 0.794 276 P CB 1.581 33.290 31.700 0.016 0.000 0.955 277 S N 1.687 117.429 115.700 0.069 0.000 2.566 277 S HA 0.578 5.048 4.470 -0.000 0.000 0.277 277 S C 0.235 174.894 174.600 0.098 0.000 1.150 277 S CA -0.363 57.886 58.200 0.081 0.000 1.032 277 S CB -0.014 63.244 63.200 0.097 0.000 1.157 277 S HN 0.625 nan 8.310 nan 0.000 0.507 278 A N 0.245 123.131 122.820 0.111 0.000 2.520 278 A HA 0.398 4.718 4.320 -0.000 0.000 0.235 278 A C 1.036 178.729 177.584 0.182 0.000 1.065 278 A CA 0.344 52.453 52.037 0.119 0.000 0.764 278 A CB -0.786 18.279 19.000 0.109 0.000 1.002 278 A HN 1.657 nan 8.150 nan 0.000 0.502 279 V N 1.293 121.284 119.914 0.128 0.000 3.525 279 V HA -0.330 3.790 4.120 -0.000 0.000 0.200 279 V C 1.881 177.961 176.094 -0.023 0.000 0.451 279 V CA 1.843 64.203 62.300 0.100 0.000 1.037 279 V CB -2.449 29.504 31.823 0.216 0.000 1.164 279 V HN 2.909 nan 8.190 nan 0.000 1.195 280 G N -2.732 106.065 108.800 -0.005 0.000 2.253 280 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.251 280 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.251 280 G C 0.070 174.917 174.900 -0.088 0.000 0.998 280 G CA 0.388 45.443 45.100 -0.076 0.000 0.621 280 G HN 0.801 nan 8.290 nan 0.000 0.524 281 Y N 2.006 122.319 120.300 0.022 0.000 2.245 281 Y HA 0.336 4.886 4.550 -0.000 0.000 0.355 281 Y C 1.534 177.433 175.900 -0.002 0.000 1.278 281 Y CA 0.521 58.626 58.100 0.008 0.000 1.593 281 Y CB 0.273 38.746 38.460 0.022 0.000 1.393 281 Y HN 0.427 nan 8.280 nan 0.000 0.662 282 Q N 0.790 120.711 119.800 0.201 0.000 2.260 282 Q HA 0.234 4.574 4.340 -0.000 0.000 0.238 282 Q C -2.531 173.518 176.000 0.083 0.000 0.948 282 Q CA -2.100 53.758 55.803 0.092 0.000 0.895 282 Q CB 0.878 29.642 28.738 0.043 0.000 1.218 282 Q HN 0.302 nan 8.270 nan 0.000 0.470 283 P HA -0.100 nan 4.420 nan 0.000 0.217 283 P C 0.934 178.255 177.300 0.036 0.000 1.150 283 P CA 1.951 65.077 63.100 0.044 0.000 0.832 283 P CB -0.042 31.677 31.700 0.032 0.000 0.787 284 T N -3.205 111.366 114.554 0.028 0.000 3.284 284 T HA 0.053 4.403 4.350 -0.000 0.000 0.252 284 T C 1.522 176.237 174.700 0.024 0.000 1.144 284 T CA -0.082 62.033 62.100 0.025 0.000 1.021 284 T CB -1.193 67.686 68.868 0.018 0.000 0.984 284 T HN -0.008 nan 8.240 nan 0.000 0.545 285 L N 0.807 122.041 121.223 0.017 0.000 1.990 285 L HA -0.132 4.208 4.340 -0.000 0.000 0.213 285 L C 2.825 179.710 176.870 0.026 0.000 1.072 285 L CA 1.994 56.829 54.840 -0.009 0.000 0.755 285 L CB -0.820 41.199 42.059 -0.066 0.000 0.889 285 L HN 0.407 nan 8.230 nan 0.000 0.432 286 A N -0.459 122.385 122.820 0.041 0.000 1.845 286 A HA -0.240 4.080 4.320 -0.000 0.000 0.215 286 A C 2.348 179.991 177.584 0.099 0.000 1.195 286 A CA 2.674 54.759 52.037 0.081 0.000 0.616 286 A CB -1.349 17.692 19.000 0.069 0.000 0.832 286 A HN 0.653 nan 8.150 nan 0.000 0.443 287 T N -1.821 112.778 114.554 0.076 0.000 2.614 287 T HA -0.191 4.159 4.350 -0.000 0.000 0.263 287 T C 1.497 176.251 174.700 0.090 0.000 1.055 287 T CA 1.518 63.664 62.100 0.076 0.000 1.162 287 T CB -0.860 68.040 68.868 0.054 0.000 0.863 287 T HN 0.352 nan 8.240 nan 0.000 0.414 288 D N 1.092 121.547 120.400 0.092 0.000 2.248 288 D HA -0.214 4.426 4.640 -0.000 0.000 0.189 288 D C 1.970 178.408 176.300 0.230 0.000 1.011 288 D CA 1.871 55.960 54.000 0.148 0.000 0.868 288 D CB -0.537 40.316 40.800 0.090 0.000 0.931 288 D HN 0.466 nan 8.370 nan 0.000 0.449 289 M N 0.278 119.997 119.600 0.199 0.000 2.108 289 M HA -0.118 4.362 4.480 -0.000 0.000 0.261 289 M C 2.103 178.351 176.300 -0.085 0.000 1.066 289 M CA 2.293 57.667 55.300 0.122 0.000 1.107 289 M CB -0.347 32.286 32.600 0.055 0.000 1.356 289 M HN 0.049 nan 8.290 nan 0.000 0.406 290 G N -0.161 108.645 108.800 0.010 0.000 2.480 290 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.216 290 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.216 290 G C 1.322 176.228 174.900 0.011 0.000 1.200 290 G CA 1.742 46.878 45.100 0.061 0.000 0.782 290 G HN 0.613 nan 8.290 nan 0.000 0.554 291 T N -1.035 113.539 114.554 0.034 0.000 3.026 291 T HA -0.093 4.257 4.350 -0.000 0.000 0.271 291 T C 1.970 176.654 174.700 -0.026 0.000 1.149 291 T CA 1.624 63.740 62.100 0.027 0.000 1.088 291 T CB -0.083 68.822 68.868 0.061 0.000 0.857 291 T HN 0.351 nan 8.240 nan 0.000 0.551 292 M N -0.553 118.981 119.600 -0.110 0.000 2.940 292 M HA 0.114 4.594 4.480 -0.000 0.000 0.248 292 M C 2.235 178.390 176.300 -0.241 0.000 1.379 292 M CA 0.406 55.565 55.300 -0.235 0.000 1.262 292 M CB 0.103 32.403 32.600 -0.499 0.000 1.201 292 M HN -0.044 nan 8.290 nan 0.000 0.553 293 Q N 1.050 120.674 119.800 -0.293 0.000 2.135 293 Q HA -0.182 4.158 4.340 -0.000 0.000 0.204 293 Q C 1.689 177.624 176.000 -0.108 0.000 0.981 293 Q CA 1.514 57.156 55.803 -0.270 0.000 0.856 293 Q CB -0.410 28.012 28.738 -0.527 0.000 0.902 293 Q HN 0.565 nan 8.270 nan 0.000 0.425 294 E N 0.161 120.335 120.200 -0.044 0.000 2.265 294 E HA -0.145 4.205 4.350 -0.000 0.000 0.196 294 E C 1.841 178.432 176.600 -0.016 0.000 0.996 294 E CA 0.639 57.048 56.400 0.015 0.000 0.832 294 E CB -0.035 29.692 29.700 0.045 0.000 0.756 294 E HN 0.329 nan 8.360 nan 0.000 0.491 295 R N 0.005 120.474 120.500 -0.052 0.000 2.173 295 R HA 0.165 4.505 4.340 -0.000 0.000 0.208 295 R C 0.977 177.236 176.300 -0.068 0.000 1.035 295 R CA 0.121 56.189 56.100 -0.053 0.000 1.004 295 R CB 0.215 30.475 30.300 -0.066 0.000 0.917 295 R HN 0.069 nan 8.270 nan 0.000 0.462 296 I N 1.944 122.458 120.570 -0.094 0.000 2.349 296 I HA 0.026 4.196 4.170 -0.000 0.000 0.302 296 I C 0.042 176.114 176.117 -0.075 0.000 1.180 296 I CA 0.408 61.646 61.300 -0.103 0.000 1.405 296 I CB 0.302 38.216 38.000 -0.144 0.000 1.474 296 I HN -0.025 nan 8.210 nan 0.000 0.632 297 T N 2.844 117.364 114.554 -0.057 0.000 2.786 297 T HA 0.255 4.605 4.350 -0.000 0.000 0.316 297 T C -0.573 174.104 174.700 -0.038 0.000 1.503 297 T CA -0.351 61.723 62.100 -0.044 0.000 1.019 297 T CB 1.848 70.701 68.868 -0.024 0.000 1.415 297 T HN 0.276 nan 8.240 nan 0.000 0.496 298 T N 2.825 117.357 114.554 -0.036 0.000 2.845 298 T HA 0.646 4.996 4.350 -0.000 0.000 0.288 298 T C 0.417 175.096 174.700 -0.034 0.000 0.980 298 T CA -0.248 61.831 62.100 -0.033 0.000 1.071 298 T CB 0.959 69.808 68.868 -0.033 0.000 0.941 298 T HN 0.864 nan 8.240 nan 0.000 0.487 299 T N 0.459 114.993 114.554 -0.034 0.000 2.768 299 T HA 0.494 4.844 4.350 -0.000 0.000 0.268 299 T C 1.023 175.697 174.700 -0.043 0.000 0.969 299 T CA -0.897 61.179 62.100 -0.041 0.000 1.008 299 T CB 1.243 70.090 68.868 -0.035 0.000 1.371 299 T HN 0.378 nan 8.240 nan 0.000 0.587 300 K N -0.200 120.171 120.400 -0.048 0.000 2.305 300 K HA 0.149 4.469 4.320 -0.000 0.000 0.199 300 K C 2.103 178.679 176.600 -0.039 0.000 1.047 300 K CA 0.355 56.614 56.287 -0.047 0.000 0.976 300 K CB 0.002 32.471 32.500 -0.052 0.000 0.765 300 K HN 0.463 nan 8.250 nan 0.000 0.474 301 K N 0.349 120.728 120.400 -0.037 0.000 2.366 301 K HA -0.011 4.309 4.320 -0.000 0.000 0.198 301 K C 0.246 176.827 176.600 -0.033 0.000 1.044 301 K CA 0.493 56.759 56.287 -0.035 0.000 0.973 301 K CB 0.418 32.897 32.500 -0.035 0.000 0.767 301 K HN 0.220 nan 8.250 nan 0.000 0.475 302 G N -0.809 107.973 108.800 -0.030 0.000 2.328 302 G HA2 0.145 4.105 3.960 -0.000 0.000 0.295 302 G HA3 0.145 4.105 3.960 -0.000 0.000 0.295 302 G C -1.732 173.157 174.900 -0.019 0.000 1.413 302 G CA -0.588 44.498 45.100 -0.023 0.000 0.817 302 G HN 0.013 nan 8.290 nan 0.000 0.546 303 S N -1.150 114.544 115.700 -0.010 0.000 2.578 303 S HA 0.855 5.325 4.470 -0.000 0.000 0.301 303 S C -0.645 173.952 174.600 -0.006 0.000 1.091 303 S CA -0.732 57.461 58.200 -0.011 0.000 1.032 303 S CB 1.357 64.553 63.200 -0.007 0.000 1.064 303 S HN 0.750 nan 8.310 nan 0.000 0.508 304 I N 2.881 123.434 120.570 -0.029 0.000 2.531 304 I HA 0.208 4.378 4.170 -0.000 0.000 0.283 304 I C -0.674 175.384 176.117 -0.099 0.000 1.083 304 I CA -0.382 60.887 61.300 -0.053 0.000 1.071 304 I CB 2.241 40.209 38.000 -0.054 0.000 1.210 304 I HN 0.597 nan 8.210 nan 0.000 0.450 305 T N 4.071 118.544 114.554 -0.136 0.000 2.794 305 T HA 0.225 4.575 4.350 -0.000 0.000 0.304 305 T C 0.276 174.783 174.700 -0.321 0.000 0.973 305 T CA -0.396 61.586 62.100 -0.196 0.000 0.972 305 T CB 0.286 69.037 68.868 -0.195 0.000 0.952 305 T HN 0.635 nan 8.240 nan 0.000 0.509 306 S N 2.443 117.963 115.700 -0.299 0.000 2.489 306 S HA 0.674 5.144 4.470 -0.000 0.000 0.291 306 S C -0.381 173.968 174.600 -0.419 0.000 1.151 306 S CA -0.780 57.200 58.200 -0.368 0.000 1.082 306 S CB 1.252 64.294 63.200 -0.264 0.000 1.019 306 S HN 0.342 nan 8.310 nan 0.000 0.492 307 V N 3.924 123.528 119.914 -0.517 0.000 2.376 307 V HA 0.417 4.537 4.120 -0.000 0.000 0.287 307 V C -0.559 175.352 176.094 -0.306 0.000 1.015 307 V CA -0.543 61.502 62.300 -0.426 0.000 0.834 307 V CB 1.085 32.649 31.823 -0.432 0.000 1.001 307 V HN 0.965 nan 8.190 nan 0.000 0.428 308 Q N 3.420 123.054 119.800 -0.277 0.000 2.333 308 Q HA 0.750 5.089 4.340 -0.000 0.000 0.268 308 Q C -0.212 175.652 176.000 -0.226 0.000 1.007 308 Q CA -0.569 55.087 55.803 -0.246 0.000 0.810 308 Q CB 2.622 31.205 28.738 -0.258 0.000 1.264 308 Q HN 0.824 nan 8.270 nan 0.000 0.452 309 A N 3.828 126.556 122.820 -0.153 0.000 2.401 309 A HA 0.544 4.864 4.320 -0.000 0.000 0.259 309 A C -0.340 177.171 177.584 -0.121 0.000 1.103 309 A CA -0.258 51.717 52.037 -0.104 0.000 0.789 309 A CB 0.169 19.160 19.000 -0.014 0.000 1.035 309 A HN 0.765 nan 8.150 nan 0.000 0.491 310 I N 2.511 122.974 120.570 -0.179 0.000 2.439 310 I HA 0.173 4.343 4.170 -0.000 0.000 0.283 310 I C -0.858 175.238 176.117 -0.035 0.000 1.023 310 I CA -0.468 60.732 61.300 -0.165 0.000 1.100 310 I CB 1.394 39.047 38.000 -0.578 0.000 1.238 310 I HN 0.758 nan 8.210 nan 0.000 0.445 311 Y N 7.037 127.277 120.300 -0.101 0.000 2.359 311 Y HA 0.365 4.915 4.550 -0.000 0.000 0.330 311 Y C -0.273 175.358 175.900 -0.449 0.000 1.143 311 Y CA -0.147 57.783 58.100 -0.283 0.000 1.318 311 Y CB 1.042 39.257 38.460 -0.408 0.000 1.234 311 Y HN 0.269 nan 8.280 nan 0.000 0.522 312 V N 9.536 128.919 119.914 -0.884 0.000 2.277 312 V HA 0.252 4.372 4.120 -0.000 0.000 0.269 312 V C -2.067 173.480 176.094 -0.913 0.000 1.036 312 V CA -1.968 59.966 62.300 -0.609 0.000 0.821 312 V CB 0.323 31.976 31.823 -0.284 0.000 1.052 312 V HN 0.715 nan 8.190 nan 0.000 0.462 313 P HA 0.028 nan 4.420 nan 0.000 0.267 313 P C 0.597 177.817 177.300 -0.135 0.000 1.200 313 P CA 0.806 63.773 63.100 -0.221 0.000 0.772 313 P CB 0.898 32.698 31.700 0.167 0.000 0.855 314 A N 2.641 125.437 122.820 -0.040 0.000 2.744 314 A HA -0.244 4.076 4.320 -0.000 0.000 0.300 314 A C 0.789 178.339 177.584 -0.056 0.000 1.512 314 A CA 1.378 53.406 52.037 -0.014 0.000 0.851 314 A CB -2.503 16.514 19.000 0.029 0.000 0.987 314 A HN 0.662 nan 8.150 nan 0.000 0.507 315 D N -1.428 118.891 120.400 -0.135 0.000 2.792 315 D HA -0.206 4.434 4.640 -0.000 0.000 0.231 315 D C -0.168 176.094 176.300 -0.064 0.000 1.160 315 D CA 2.046 55.977 54.000 -0.115 0.000 0.697 315 D CB -0.942 39.818 40.800 -0.067 0.000 1.070 315 D HN 0.970 nan 8.370 nan 0.000 0.426 316 D N 0.057 120.427 120.400 -0.051 0.000 2.472 316 D HA 0.255 4.895 4.640 -0.000 0.000 0.234 316 D C 1.405 177.720 176.300 0.024 0.000 1.088 316 D CA -0.558 53.440 54.000 -0.003 0.000 0.882 316 D CB 0.344 41.158 40.800 0.024 0.000 1.037 316 D HN 0.033 nan 8.370 nan 0.000 0.520 317 L N 2.403 123.642 121.223 0.026 0.000 2.450 317 L HA -0.088 4.252 4.340 -0.000 0.000 0.224 317 L C 2.213 179.141 176.870 0.097 0.000 1.149 317 L CA 1.452 56.339 54.840 0.078 0.000 0.816 317 L CB -0.460 41.625 42.059 0.043 0.000 0.932 317 L HN 0.526 nan 8.230 nan 0.000 0.449 318 T N -4.825 109.763 114.554 0.056 0.000 3.100 318 T HA -0.061 4.289 4.350 -0.000 0.000 0.253 318 T C 0.830 175.587 174.700 0.095 0.000 1.118 318 T CA -0.403 61.729 62.100 0.054 0.000 1.058 318 T CB -0.266 68.615 68.868 0.022 0.000 0.953 318 T HN 0.190 nan 8.240 nan 0.000 0.515 319 D N 2.995 123.468 120.400 0.122 0.000 2.533 319 D HA 0.012 4.652 4.640 -0.000 0.000 0.236 319 D C -1.435 174.951 176.300 0.144 0.000 1.137 319 D CA -1.286 52.819 54.000 0.175 0.000 0.867 319 D CB 1.414 42.344 40.800 0.216 0.000 1.170 319 D HN 0.043 nan 8.370 nan 0.000 0.474 320 P HA -0.250 nan 4.420 nan 0.000 0.219 320 P C 0.845 178.071 177.300 -0.123 0.000 1.153 320 P CA 2.323 65.388 63.100 -0.058 0.000 0.865 320 P CB 0.139 31.734 31.700 -0.175 0.000 0.788 321 A N -0.320 122.395 122.820 -0.174 0.000 1.824 321 A HA -0.127 4.193 4.320 -0.000 0.000 0.215 321 A C -0.035 177.653 177.584 0.173 0.000 1.209 321 A CA 2.331 54.358 52.037 -0.017 0.000 0.614 321 A CB -2.255 16.914 19.000 0.283 0.000 0.852 321 A HN 0.180 nan 8.150 nan 0.000 0.447 322 P HA -0.143 nan 4.420 nan 0.000 0.215 322 P C 1.744 179.283 177.300 0.397 0.000 1.157 322 P CA 2.139 65.426 63.100 0.312 0.000 0.868 322 P CB -0.245 31.644 31.700 0.315 0.000 0.788 323 A N -0.548 122.504 122.820 0.386 0.000 1.881 323 A HA -0.284 4.036 4.320 -0.000 0.000 0.219 323 A C 2.286 180.113 177.584 0.405 0.000 1.215 323 A CA 3.064 55.345 52.037 0.407 0.000 0.648 323 A CB -2.173 16.934 19.000 0.179 0.000 0.832 323 A HN 0.209 nan 8.150 nan 0.000 0.455 324 T N -0.290 114.411 114.554 0.246 0.000 3.025 324 T HA -0.054 4.295 4.350 -0.000 0.000 0.270 324 T C 1.628 176.511 174.700 0.305 0.000 1.126 324 T CA 1.652 63.883 62.100 0.218 0.000 1.105 324 T CB -0.402 68.540 68.868 0.124 0.000 0.884 324 T HN 0.644 nan 8.240 nan 0.000 0.522 325 T N 1.095 115.838 114.554 0.314 0.000 3.009 325 T HA 0.138 4.488 4.350 -0.000 0.000 0.258 325 T C 1.468 176.351 174.700 0.305 0.000 1.063 325 T CA 0.274 62.528 62.100 0.257 0.000 1.139 325 T CB -0.303 68.614 68.868 0.081 0.000 0.890 325 T HN 0.338 nan 8.240 nan 0.000 0.471 326 F N 2.469 122.620 119.950 0.335 0.000 2.065 326 F HA -0.123 4.404 4.527 -0.000 0.000 0.298 326 F C 2.766 178.650 175.800 0.139 0.000 1.112 326 F CA 1.119 59.280 58.000 0.269 0.000 1.212 326 F CB -0.919 38.139 39.000 0.097 0.000 0.975 326 F HN 0.138 nan 8.300 nan 0.000 0.476 327 A N -1.213 121.758 122.820 0.251 0.000 2.139 327 A HA -0.212 4.108 4.320 -0.000 0.000 0.221 327 A C 1.686 179.224 177.584 -0.076 0.000 1.159 327 A CA 1.637 53.693 52.037 0.031 0.000 0.662 327 A CB -1.002 17.944 19.000 -0.090 0.000 0.796 327 A HN 0.531 nan 8.150 nan 0.000 0.463 328 H N -1.285 117.841 119.070 0.094 0.000 2.539 328 H HA 0.314 4.870 4.556 -0.000 0.000 0.269 328 H C -0.011 175.328 175.328 0.019 0.000 0.980 328 H CA 0.183 56.254 56.048 0.039 0.000 1.152 328 H CB 0.045 29.813 29.762 0.009 0.000 1.407 328 H HN 0.348 nan 8.280 nan 0.000 0.564 329 L N 0.376 121.684 121.223 0.141 0.000 2.334 329 L HA 0.182 4.522 4.340 -0.000 0.000 0.272 329 L C 0.872 177.790 176.870 0.080 0.000 1.020 329 L CA -0.496 54.398 54.840 0.090 0.000 0.812 329 L CB 1.724 43.850 42.059 0.113 0.000 1.264 329 L HN -0.086 nan 8.230 nan 0.000 0.439 330 D N 0.939 121.367 120.400 0.046 0.000 2.355 330 D HA 0.220 4.860 4.640 -0.000 0.000 0.206 330 D C 0.154 176.500 176.300 0.076 0.000 1.010 330 D CA 0.524 54.553 54.000 0.049 0.000 0.875 330 D CB 1.115 41.928 40.800 0.021 0.000 0.966 330 D HN 0.527 nan 8.370 nan 0.000 0.512 331 A N 0.346 123.214 122.820 0.081 0.000 2.488 331 A HA 0.579 4.899 4.320 -0.000 0.000 0.298 331 A C -0.585 177.094 177.584 0.159 0.000 1.044 331 A CA -0.610 51.510 52.037 0.138 0.000 0.693 331 A CB 1.553 20.663 19.000 0.183 0.000 1.272 331 A HN -0.027 nan 8.150 nan 0.000 0.402 332 T N -0.925 113.773 114.554 0.240 0.000 2.848 332 T HA 0.713 5.063 4.350 -0.000 0.000 0.285 332 T C -0.598 174.292 174.700 0.317 0.000 0.995 332 T CA -0.528 61.770 62.100 0.330 0.000 0.970 332 T CB 1.554 70.689 68.868 0.445 0.000 0.976 332 T HN 0.482 nan 8.240 nan 0.000 0.441 333 T N 3.122 117.880 114.554 0.339 0.000 2.963 333 T HA 0.442 4.792 4.350 -0.000 0.000 0.343 333 T C -0.044 174.839 174.700 0.306 0.000 1.146 333 T CA -0.496 61.782 62.100 0.296 0.000 1.016 333 T CB 0.464 69.522 68.868 0.316 0.000 1.046 333 T HN 0.663 nan 8.240 nan 0.000 0.496 334 V N 5.664 125.722 119.914 0.240 0.000 2.432 334 V HA 0.374 4.494 4.120 -0.000 0.000 0.271 334 V C 0.285 176.464 176.094 0.141 0.000 1.046 334 V CA -0.706 61.713 62.300 0.198 0.000 0.945 334 V CB 0.585 32.465 31.823 0.096 0.000 0.992 334 V HN 0.707 nan 8.190 nan 0.000 0.471 335 L N 3.993 125.302 121.223 0.144 0.000 2.325 335 L HA 0.607 4.946 4.340 -0.000 0.000 0.279 335 L C 0.347 177.253 176.870 0.061 0.000 1.054 335 L CA 0.071 54.972 54.840 0.102 0.000 0.804 335 L CB 1.704 43.833 42.059 0.115 0.000 1.200 335 L HN 0.676 nan 8.230 nan 0.000 0.436 336 S N 1.443 117.163 115.700 0.033 0.000 2.500 336 S HA 0.333 4.803 4.470 -0.000 0.000 0.301 336 S C 0.645 175.240 174.600 -0.008 0.000 1.092 336 S CA -0.744 57.459 58.200 0.005 0.000 1.030 336 S CB 1.808 65.003 63.200 -0.008 0.000 1.031 336 S HN 0.733 nan 8.310 nan 0.000 0.483 337 R N 3.241 123.737 120.500 -0.007 0.000 2.092 337 R HA -0.002 4.338 4.340 -0.000 0.000 0.231 337 R C 2.006 178.292 176.300 -0.024 0.000 1.119 337 R CA 1.642 57.740 56.100 -0.004 0.000 0.970 337 R CB -0.600 29.701 30.300 0.001 0.000 0.864 337 R HN 0.746 nan 8.270 nan 0.000 0.440 338 A N 1.161 123.962 122.820 -0.030 0.000 1.902 338 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 338 A C 2.111 179.660 177.584 -0.058 0.000 1.181 338 A CA 1.255 53.269 52.037 -0.039 0.000 0.623 338 A CB -0.411 18.567 19.000 -0.038 0.000 0.818 338 A HN 0.341 nan 8.150 nan 0.000 0.443 339 I N -0.456 120.074 120.570 -0.067 0.000 2.202 339 I HA -0.231 3.939 4.170 -0.000 0.000 0.242 339 I C 2.999 179.002 176.117 -0.189 0.000 1.091 339 I CA 0.997 62.239 61.300 -0.096 0.000 1.368 339 I CB -0.500 37.455 38.000 -0.074 0.000 1.058 339 I HN 0.359 nan 8.210 nan 0.000 0.410 340 A N 0.686 123.377 122.820 -0.214 0.000 1.908 340 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 340 A C 2.136 179.566 177.584 -0.256 0.000 1.181 340 A CA 1.707 53.504 52.037 -0.400 0.000 0.627 340 A CB -0.644 18.297 19.000 -0.100 0.000 0.818 340 A HN 0.465 nan 8.150 nan 0.000 0.445 341 E N -0.412 119.728 120.200 -0.100 0.000 2.338 341 E HA -0.050 4.300 4.350 -0.000 0.000 0.197 341 E C 1.100 177.668 176.600 -0.054 0.000 1.007 341 E CA 0.513 56.889 56.400 -0.040 0.000 0.849 341 E CB -0.186 29.504 29.700 -0.017 0.000 0.774 341 E HN 0.643 nan 8.360 nan 0.000 0.506 342 L N -0.312 120.855 121.223 -0.094 0.000 2.611 342 L HA 0.199 4.539 4.340 -0.000 0.000 0.229 342 L C 1.077 177.886 176.870 -0.102 0.000 1.137 342 L CA 0.074 54.865 54.840 -0.082 0.000 0.901 342 L CB 0.026 42.042 42.059 -0.072 0.000 1.098 342 L HN 0.149 nan 8.230 nan 0.000 0.456 343 G N 1.343 110.062 108.800 -0.135 0.000 2.246 343 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.273 343 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.273 343 G C 0.021 174.873 174.900 -0.080 0.000 1.055 343 G CA -0.246 44.803 45.100 -0.085 0.000 0.851 343 G HN 0.198 nan 8.290 nan 0.000 0.500 344 I N 0.487 120.867 120.570 -0.316 0.000 2.330 344 I HA 0.479 4.649 4.170 -0.000 0.000 0.289 344 I C -0.164 175.670 176.117 -0.471 0.000 1.001 344 I CA -0.907 60.290 61.300 -0.173 0.000 1.193 344 I CB 0.699 38.648 38.000 -0.085 0.000 1.345 344 I HN 0.140 nan 8.210 nan 0.000 0.461 345 Y N 6.949 127.227 120.300 -0.037 0.000 2.442 345 Y HA 0.393 4.943 4.550 -0.000 0.000 0.344 345 Y C -2.124 173.597 175.900 -0.298 0.000 0.976 345 Y CA -2.339 55.662 58.100 -0.165 0.000 1.040 345 Y CB 2.427 40.760 38.460 -0.212 0.000 1.228 345 Y HN 0.393 nan 8.280 nan 0.000 0.451 346 P HA 0.074 nan 4.420 nan 0.000 0.271 346 P C -0.397 176.926 177.300 0.040 0.000 1.216 346 P CA -0.138 62.964 63.100 0.004 0.000 0.771 346 P CB 1.197 32.944 31.700 0.077 0.000 0.864 347 A N 4.136 126.993 122.820 0.062 0.000 3.004 347 A HA 0.177 4.497 4.320 -0.000 0.000 0.254 347 A C 0.552 178.157 177.584 0.035 0.000 1.857 347 A CA -0.152 51.870 52.037 -0.025 0.000 1.460 347 A CB -1.363 17.611 19.000 -0.042 0.000 0.963 347 A HN 0.381 nan 8.150 nan 0.000 0.624 348 V N 1.041 120.986 119.914 0.052 0.000 2.583 348 V HA 0.088 4.208 4.120 -0.000 0.000 0.287 348 V C 0.402 176.524 176.094 0.047 0.000 1.051 348 V CA -0.641 61.702 62.300 0.073 0.000 1.010 348 V CB 1.318 33.194 31.823 0.088 0.000 0.988 348 V HN 0.591 nan 8.190 nan 0.000 0.478 349 D N 6.446 126.876 120.400 0.050 0.000 2.352 349 D HA 0.234 4.874 4.640 -0.000 0.000 0.245 349 D C -1.637 174.681 176.300 0.030 0.000 1.224 349 D CA -1.940 52.077 54.000 0.029 0.000 0.879 349 D CB 1.979 42.793 40.800 0.023 0.000 1.057 349 D HN 0.250 nan 8.370 nan 0.000 0.491 350 P HA -0.032 nan 4.420 nan 0.000 0.220 350 P C 0.989 178.293 177.300 0.007 0.000 1.148 350 P CA 0.774 63.884 63.100 0.017 0.000 0.803 350 P CB 0.295 32.011 31.700 0.027 0.000 0.782 351 L N -1.357 119.867 121.223 0.002 0.000 2.741 351 L HA 0.239 4.579 4.340 -0.000 0.000 0.237 351 L C 0.766 177.627 176.870 -0.016 0.000 1.178 351 L CA 0.425 55.259 54.840 -0.010 0.000 0.973 351 L CB -0.003 42.046 42.059 -0.017 0.000 1.255 351 L HN -0.099 nan 8.230 nan 0.000 0.498 352 D N -0.807 119.591 120.400 -0.003 0.000 2.704 352 D HA 0.115 4.755 4.640 -0.000 0.000 0.291 352 D C -0.341 175.978 176.300 0.032 0.000 1.610 352 D CA 0.208 54.202 54.000 -0.010 0.000 0.807 352 D CB 0.931 41.714 40.800 -0.030 0.000 1.233 352 D HN -0.070 nan 8.370 nan 0.000 0.445 353 S N -0.090 115.642 115.700 0.054 0.000 2.473 353 S HA 0.705 5.175 4.470 -0.000 0.000 0.307 353 S C -0.064 174.591 174.600 0.092 0.000 1.094 353 S CA -0.544 57.719 58.200 0.104 0.000 1.070 353 S CB 2.049 65.317 63.200 0.114 0.000 1.019 353 S HN 0.247 nan 8.310 nan 0.000 0.480 354 T N -0.902 113.728 114.554 0.127 0.000 2.906 354 T HA 0.809 5.158 4.350 -0.000 0.000 0.295 354 T C -0.730 174.046 174.700 0.125 0.000 1.075 354 T CA -0.863 61.299 62.100 0.103 0.000 1.005 354 T CB 1.850 70.768 68.868 0.084 0.000 1.136 354 T HN 0.406 nan 8.240 nan 0.000 0.498 355 S N -0.528 115.230 115.700 0.098 0.000 2.619 355 S HA 0.369 4.839 4.470 -0.000 0.000 0.280 355 S C 0.759 175.402 174.600 0.072 0.000 1.150 355 S CA -0.894 57.367 58.200 0.101 0.000 0.978 355 S CB 1.293 64.555 63.200 0.104 0.000 1.041 355 S HN 0.763 nan 8.310 nan 0.000 0.485 356 R N 3.039 123.578 120.500 0.065 0.000 2.285 356 R HA 0.046 4.386 4.340 -0.000 0.000 0.213 356 R C 1.110 177.429 176.300 0.031 0.000 1.068 356 R CA 0.814 56.941 56.100 0.044 0.000 1.004 356 R CB -0.216 30.106 30.300 0.038 0.000 0.873 356 R HN 0.568 nan 8.270 nan 0.000 0.467 357 I N 0.402 120.996 120.570 0.039 0.000 3.251 357 I HA -0.034 4.136 4.170 -0.000 0.000 0.277 357 I C 0.934 177.053 176.117 0.002 0.000 1.268 357 I CA 0.301 61.615 61.300 0.024 0.000 1.449 357 I CB -0.508 37.519 38.000 0.044 0.000 1.083 357 I HN 0.133 nan 8.210 nan 0.000 0.464 358 M N 2.386 121.997 119.600 0.019 0.000 3.042 358 M HA 0.136 4.616 4.480 -0.000 0.000 0.283 358 M C -0.629 175.713 176.300 0.070 0.000 1.473 358 M CA 0.173 55.492 55.300 0.032 0.000 1.583 358 M CB -0.972 31.663 32.600 0.057 0.000 1.221 358 M HN -0.007 nan 8.290 nan 0.000 0.518 359 D N 5.223 125.606 120.400 -0.029 0.000 2.890 359 D HA 0.335 4.975 4.640 -0.000 0.000 0.233 359 D C -2.414 173.739 176.300 -0.245 0.000 1.306 359 D CA -1.418 52.475 54.000 -0.177 0.000 0.929 359 D CB 2.391 43.125 40.800 -0.111 0.000 1.512 359 D HN 0.188 nan 8.370 nan 0.000 0.568 360 P HA -0.150 nan 4.420 nan 0.000 0.216 360 P C 0.792 178.005 177.300 -0.145 0.000 1.150 360 P CA 0.867 63.786 63.100 -0.302 0.000 0.843 360 P CB 0.487 31.921 31.700 -0.443 0.000 0.787 361 N N -0.611 118.000 118.700 -0.149 0.000 2.520 361 N HA -0.029 4.711 4.740 -0.000 0.000 0.185 361 N C 1.731 177.211 175.510 -0.051 0.000 1.068 361 N CA 0.746 53.747 53.050 -0.082 0.000 0.911 361 N CB -0.432 38.008 38.487 -0.078 0.000 0.961 361 N HN 0.348 nan 8.380 nan 0.000 0.446 362 I N -1.242 119.295 120.570 -0.055 0.000 3.565 362 I HA -0.010 4.160 4.170 -0.000 0.000 0.287 362 I C 1.381 177.502 176.117 0.007 0.000 1.193 362 I CA 0.303 61.590 61.300 -0.023 0.000 1.402 362 I CB 0.339 38.324 38.000 -0.025 0.000 1.284 362 I HN -0.086 nan 8.210 nan 0.000 0.454 363 V N -1.471 118.442 119.914 -0.001 0.000 3.427 363 V HA 0.658 4.778 4.120 -0.000 0.000 0.305 363 V C 0.664 176.833 176.094 0.124 0.000 1.412 363 V CA 0.057 62.401 62.300 0.075 0.000 1.086 363 V CB -0.670 31.119 31.823 -0.057 0.000 0.964 363 V HN 0.438 nan 8.190 nan 0.000 0.439 364 G N 1.181 110.018 108.800 0.062 0.000 2.690 364 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.686 364 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.686 364 G C 0.401 175.360 174.900 0.099 0.000 1.277 364 G CA 0.220 45.367 45.100 0.079 0.000 0.799 364 G HN 1.358 nan 8.290 nan 0.000 0.613 365 S N -0.697 115.057 115.700 0.089 0.000 2.436 365 S HA 0.028 4.497 4.470 -0.000 0.000 0.228 365 S C 1.714 176.411 174.600 0.162 0.000 1.014 365 S CA 1.521 59.795 58.200 0.123 0.000 0.950 365 S CB 0.144 63.391 63.200 0.079 0.000 0.784 365 S HN 0.901 nan 8.310 nan 0.000 0.504 366 E N 1.086 121.371 120.200 0.141 0.000 2.072 366 E HA -0.232 4.118 4.350 -0.000 0.000 0.191 366 E C 2.019 178.729 176.600 0.183 0.000 0.985 366 E CA 1.017 57.498 56.400 0.136 0.000 0.801 366 E CB -0.310 29.455 29.700 0.109 0.000 0.750 366 E HN 0.865 nan 8.360 nan 0.000 0.452 367 H N -1.362 117.755 119.070 0.079 0.000 2.299 367 H HA -0.187 4.369 4.556 -0.000 0.000 0.302 367 H C 2.136 177.505 175.328 0.068 0.000 1.078 367 H CA 1.460 57.544 56.048 0.061 0.000 1.323 367 H CB -0.134 29.663 29.762 0.058 0.000 1.381 367 H HN 0.245 nan 8.280 nan 0.000 0.498 368 Y N 1.785 122.082 120.300 -0.005 0.000 2.224 368 Y HA -0.214 4.336 4.550 -0.000 0.000 0.289 368 Y C 1.904 177.801 175.900 -0.005 0.000 1.146 368 Y CA 1.869 59.918 58.100 -0.084 0.000 1.182 368 Y CB -0.225 38.182 38.460 -0.089 0.000 0.983 368 Y HN 0.342 nan 8.280 nan 0.000 0.524 369 D N -0.827 119.624 120.400 0.085 0.000 2.224 369 D HA -0.124 4.516 4.640 -0.000 0.000 0.205 369 D C 2.244 178.527 176.300 -0.027 0.000 0.965 369 D CA 1.264 55.272 54.000 0.014 0.000 0.852 369 D CB 0.039 40.898 40.800 0.098 0.000 0.947 369 D HN 0.343 nan 8.370 nan 0.000 0.494 370 V N 1.281 121.206 119.914 0.018 0.000 2.446 370 V HA -0.076 4.044 4.120 -0.000 0.000 0.244 370 V C 2.565 178.643 176.094 -0.026 0.000 1.039 370 V CA 1.287 63.609 62.300 0.036 0.000 1.045 370 V CB -0.575 31.302 31.823 0.091 0.000 0.681 370 V HN 0.114 nan 8.190 nan 0.000 0.459 371 A N 0.529 123.311 122.820 -0.063 0.000 1.873 371 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 371 A C 2.248 179.727 177.584 -0.176 0.000 1.193 371 A CA 1.871 53.831 52.037 -0.128 0.000 0.629 371 A CB -0.485 18.424 19.000 -0.151 0.000 0.826 371 A HN 0.400 nan 8.150 nan 0.000 0.447 372 R N -0.405 119.924 120.500 -0.284 0.000 2.235 372 R HA -0.033 4.307 4.340 -0.000 0.000 0.213 372 R C 2.180 178.409 176.300 -0.119 0.000 1.059 372 R CA 0.941 56.888 56.100 -0.255 0.000 0.997 372 R CB -1.501 28.554 30.300 -0.408 0.000 0.884 372 R HN 0.559 nan 8.270 nan 0.000 0.462 373 G N 0.123 108.879 108.800 -0.074 0.000 2.394 373 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.215 373 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.215 373 G C 1.504 176.412 174.900 0.013 0.000 1.165 373 G CA 0.433 45.526 45.100 -0.012 0.000 0.784 373 G HN 0.148 nan 8.290 nan 0.000 0.535 374 V N 0.758 120.684 119.914 0.021 0.000 2.358 374 V HA -0.201 3.919 4.120 -0.000 0.000 0.246 374 V C 2.761 178.872 176.094 0.027 0.000 1.047 374 V CA 2.053 64.387 62.300 0.057 0.000 1.035 374 V CB -0.524 31.326 31.823 0.045 0.000 0.658 374 V HN 0.435 nan 8.190 nan 0.000 0.452 375 Q N -0.587 119.203 119.800 -0.017 0.000 2.488 375 Q HA -0.130 4.209 4.340 -0.000 0.000 0.211 375 Q C 2.123 178.119 176.000 -0.007 0.000 0.967 375 Q CA 0.807 56.600 55.803 -0.017 0.000 0.926 375 Q CB -0.018 28.692 28.738 -0.047 0.000 0.992 375 Q HN 0.586 nan 8.270 nan 0.000 0.506 376 K N 0.872 121.270 120.400 -0.003 0.000 2.141 376 K HA 0.038 4.357 4.320 -0.000 0.000 0.202 376 K C 1.876 178.492 176.600 0.026 0.000 1.045 376 K CA 0.208 56.498 56.287 0.004 0.000 0.971 376 K CB 0.173 32.670 32.500 -0.005 0.000 0.795 376 K HN 0.147 nan 8.250 nan 0.000 0.459 377 I N 1.210 121.801 120.570 0.036 0.000 2.315 377 I HA -0.229 3.941 4.170 -0.000 0.000 0.248 377 I C 1.855 178.026 176.117 0.091 0.000 1.117 377 I CA 0.910 62.239 61.300 0.049 0.000 1.404 377 I CB 0.142 38.163 38.000 0.035 0.000 1.071 377 I HN 0.225 nan 8.210 nan 0.000 0.419 378 L N 0.115 121.394 121.223 0.094 0.000 2.056 378 L HA -0.227 4.112 4.340 -0.000 0.000 0.207 378 L C 2.600 179.530 176.870 0.099 0.000 1.078 378 L CA 1.128 56.050 54.840 0.137 0.000 0.749 378 L CB -0.577 41.544 42.059 0.103 0.000 0.901 378 L HN 0.301 nan 8.230 nan 0.000 0.433 379 Q N 0.418 120.248 119.800 0.050 0.000 2.096 379 Q HA -0.242 4.098 4.340 -0.000 0.000 0.204 379 Q C 1.707 177.725 176.000 0.030 0.000 0.982 379 Q CA 1.943 57.758 55.803 0.020 0.000 0.850 379 Q CB -0.225 28.517 28.738 0.006 0.000 0.901 379 Q HN 0.388 nan 8.270 nan 0.000 0.422 380 D N -1.153 119.280 120.400 0.055 0.000 2.219 380 D HA -0.141 4.499 4.640 -0.000 0.000 0.205 380 D C 1.477 177.847 176.300 0.116 0.000 0.970 380 D CA 0.826 54.863 54.000 0.063 0.000 0.851 380 D CB -0.214 40.619 40.800 0.055 0.000 0.943 380 D HN 0.361 nan 8.370 nan 0.000 0.488 381 Y N 1.903 122.197 120.300 -0.010 0.000 2.263 381 Y HA -0.040 4.510 4.550 -0.000 0.000 0.292 381 Y C 2.096 177.988 175.900 -0.013 0.000 1.130 381 Y CA 1.104 59.197 58.100 -0.012 0.000 1.179 381 Y CB -0.179 38.273 38.460 -0.013 0.000 0.998 381 Y HN -0.213 nan 8.280 nan 0.000 0.532 382 K N 0.078 120.393 120.400 -0.140 0.000 2.097 382 K HA -0.139 4.181 4.320 -0.000 0.000 0.206 382 K C 2.130 178.639 176.600 -0.152 0.000 1.049 382 K CA 1.603 57.743 56.287 -0.246 0.000 0.933 382 K CB -0.250 32.168 32.500 -0.136 0.000 0.717 382 K HN 0.435 nan 8.250 nan 0.000 0.442 383 S N -0.007 115.654 115.700 -0.066 0.000 2.522 383 S HA -0.007 4.463 4.470 -0.000 0.000 0.227 383 S C 1.653 176.236 174.600 -0.029 0.000 0.986 383 S CA 0.397 58.573 58.200 -0.041 0.000 0.929 383 S CB -0.106 63.085 63.200 -0.015 0.000 0.769 383 S HN 0.291 nan 8.310 nan 0.000 0.529 384 L N 0.270 121.482 121.223 -0.018 0.000 2.513 384 L HA 0.205 4.545 4.340 -0.000 0.000 0.222 384 L C 2.554 179.415 176.870 -0.016 0.000 1.096 384 L CA 0.219 55.069 54.840 0.018 0.000 0.857 384 L CB -0.347 41.774 42.059 0.103 0.000 1.026 384 L HN 0.300 nan 8.230 nan 0.000 0.469 385 Q N 0.108 119.844 119.800 -0.106 0.000 2.297 385 Q HA -0.265 4.075 4.340 -0.000 0.000 0.208 385 Q C 1.411 177.372 176.000 -0.066 0.000 0.981 385 Q CA 1.688 57.413 55.803 -0.129 0.000 0.876 385 Q CB -0.048 28.548 28.738 -0.237 0.000 0.921 385 Q HN 0.411 nan 8.270 nan 0.000 0.446 386 D N 0.333 120.702 120.400 -0.050 0.000 2.117 386 D HA -0.104 4.536 4.640 -0.000 0.000 0.198 386 D C 1.538 177.828 176.300 -0.017 0.000 0.982 386 D CA 0.937 54.917 54.000 -0.033 0.000 0.828 386 D CB 0.090 40.873 40.800 -0.029 0.000 0.967 386 D HN 0.195 nan 8.370 nan 0.000 0.464 387 I N 0.383 120.948 120.570 -0.007 0.000 2.286 387 I HA -0.167 4.003 4.170 -0.000 0.000 0.245 387 I C 1.926 178.049 176.117 0.009 0.000 1.104 387 I CA 0.326 61.628 61.300 0.003 0.000 1.397 387 I CB -0.172 37.834 38.000 0.011 0.000 1.072 387 I HN 0.095 nan 8.210 nan 0.000 0.417 388 I N 1.485 122.065 120.570 0.017 0.000 2.361 388 I HA -0.239 3.931 4.170 -0.000 0.000 0.251 388 I C 2.764 178.890 176.117 0.014 0.000 1.133 388 I CA 1.562 62.879 61.300 0.028 0.000 1.413 388 I CB -1.494 36.541 38.000 0.057 0.000 1.073 388 I HN 0.184 nan 8.210 nan 0.000 0.424 389 A N 0.285 123.105 122.820 0.000 0.000 2.066 389 A HA -0.033 4.287 4.320 -0.000 0.000 0.218 389 A C 2.176 179.758 177.584 -0.002 0.000 1.157 389 A CA 0.956 52.990 52.037 -0.004 0.000 0.670 389 A CB -0.140 18.851 19.000 -0.015 0.000 0.804 389 A HN 0.274 nan 8.150 nan 0.000 0.453 390 I N -1.377 119.193 120.570 -0.001 0.000 3.136 390 I HA 0.112 4.282 4.170 -0.000 0.000 0.262 390 I C 1.492 177.611 176.117 0.003 0.000 1.132 390 I CA 0.851 62.151 61.300 -0.000 0.000 1.450 390 I CB -0.835 37.164 38.000 -0.002 0.000 1.315 390 I HN 0.181 nan 8.210 nan 0.000 0.460 391 L N 0.785 122.011 121.223 0.005 0.000 2.741 391 L HA 0.382 4.722 4.340 -0.000 0.000 0.237 391 L C 1.039 177.914 176.870 0.009 0.000 1.178 391 L CA -0.063 54.781 54.840 0.006 0.000 0.973 391 L CB -0.512 41.551 42.059 0.006 0.000 1.255 391 L HN 0.375 nan 8.230 nan 0.000 0.498 392 G N 0.898 109.705 108.800 0.012 0.000 2.740 392 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.250 392 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.250 392 G C 0.308 175.219 174.900 0.020 0.000 1.358 392 G CA -0.037 45.073 45.100 0.016 0.000 0.897 392 G HN 0.176 nan 8.290 nan 0.000 0.567 393 M N 0.475 120.087 119.600 0.020 0.000 2.493 393 M HA 0.140 4.620 4.480 -0.000 0.000 0.244 393 M C 0.750 177.057 176.300 0.012 0.000 1.182 393 M CA 0.262 55.574 55.300 0.020 0.000 0.981 393 M CB 0.110 32.721 32.600 0.019 0.000 1.551 393 M HN 0.450 nan 8.290 nan 0.000 0.476 394 D N 0.914 121.320 120.400 0.010 0.000 2.354 394 D HA -0.015 4.625 4.640 -0.000 0.000 0.209 394 D C 1.198 177.502 176.300 0.007 0.000 1.015 394 D CA 0.732 54.737 54.000 0.007 0.000 0.867 394 D CB 0.410 41.213 40.800 0.006 0.000 0.933 394 D HN 0.274 nan 8.370 nan 0.000 0.520 395 E N 0.245 120.451 120.200 0.009 0.000 2.463 395 E HA 0.164 4.514 4.350 -0.000 0.000 0.193 395 E C 0.546 177.152 176.600 0.011 0.000 1.041 395 E CA -0.127 56.278 56.400 0.009 0.000 0.879 395 E CB 0.885 30.590 29.700 0.009 0.000 0.997 395 E HN 0.299 nan 8.360 nan 0.000 0.478 396 L N 1.507 122.737 121.223 0.012 0.000 2.334 396 L HA 0.215 4.555 4.340 -0.000 0.000 0.275 396 L C 1.045 177.921 176.870 0.009 0.000 1.036 396 L CA -0.595 54.253 54.840 0.014 0.000 0.807 396 L CB 1.406 43.476 42.059 0.019 0.000 1.231 396 L HN 0.017 nan 8.230 nan 0.000 0.438 397 S N 0.860 116.565 115.700 0.009 0.000 2.658 397 S HA -0.075 4.395 4.470 -0.000 0.000 0.249 397 S C 0.834 175.436 174.600 0.003 0.000 1.363 397 S CA -0.015 58.188 58.200 0.005 0.000 0.964 397 S CB 0.644 63.848 63.200 0.006 0.000 0.973 397 S HN 0.710 nan 8.310 nan 0.000 0.588 398 E N 0.142 120.343 120.200 0.001 0.000 2.158 398 E HA -0.052 4.298 4.350 -0.000 0.000 0.191 398 E C 1.999 178.597 176.600 -0.003 0.000 0.982 398 E CA 1.403 57.802 56.400 -0.001 0.000 0.823 398 E CB -0.354 29.345 29.700 -0.001 0.000 0.766 398 E HN 0.789 nan 8.360 nan 0.000 0.468 399 E N 0.143 120.343 120.200 -0.001 0.000 2.031 399 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 399 E C 1.324 177.922 176.600 -0.003 0.000 0.994 399 E CA 1.568 57.967 56.400 -0.001 0.000 0.800 399 E CB -0.084 29.617 29.700 0.002 0.000 0.752 399 E HN 0.255 nan 8.360 nan 0.000 0.447 400 D N 0.734 121.135 120.400 0.003 0.000 2.108 400 D HA -0.206 4.434 4.640 -0.000 0.000 0.190 400 D C 1.899 178.194 176.300 -0.008 0.000 0.995 400 D CA 1.479 55.484 54.000 0.007 0.000 0.834 400 D CB -0.294 40.517 40.800 0.018 0.000 0.967 400 D HN 0.182 nan 8.370 nan 0.000 0.446 401 K N 0.157 120.550 120.400 -0.011 0.000 2.144 401 K HA -0.213 4.107 4.320 -0.000 0.000 0.209 401 K C 2.106 178.676 176.600 -0.050 0.000 1.047 401 K CA 0.780 57.051 56.287 -0.027 0.000 0.927 401 K CB -0.316 32.174 32.500 -0.018 0.000 0.716 401 K HN 0.049 nan 8.250 nan 0.000 0.454 402 L N 1.164 122.365 121.223 -0.037 0.000 2.017 402 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 402 L C 2.472 179.303 176.870 -0.066 0.000 1.073 402 L CA 2.308 57.122 54.840 -0.043 0.000 0.745 402 L CB -0.954 41.091 42.059 -0.024 0.000 0.894 402 L HN 0.412 nan 8.230 nan 0.000 0.432 403 T N -4.193 110.326 114.554 -0.058 0.000 2.701 403 T HA -0.152 4.198 4.350 -0.000 0.000 0.263 403 T C 1.907 176.509 174.700 -0.163 0.000 1.040 403 T CA 1.416 63.474 62.100 -0.070 0.000 1.147 403 T CB -1.226 67.629 68.868 -0.020 0.000 0.865 403 T HN 0.120 nan 8.240 nan 0.000 0.426 404 V N 2.148 121.946 119.914 -0.193 0.000 2.250 404 V HA -0.262 3.858 4.120 -0.000 0.000 0.253 404 V C 3.107 178.926 176.094 -0.458 0.000 1.065 404 V CA 2.427 64.461 62.300 -0.444 0.000 1.039 404 V CB -1.258 30.416 31.823 -0.249 0.000 0.647 404 V HN 0.568 nan 8.190 nan 0.000 0.446 405 S N -0.895 114.654 115.700 -0.252 0.000 2.359 405 S HA -0.224 4.246 4.470 -0.000 0.000 0.224 405 S C 2.084 176.548 174.600 -0.225 0.000 1.035 405 S CA 1.761 59.840 58.200 -0.202 0.000 1.018 405 S CB -0.360 62.770 63.200 -0.118 0.000 0.876 405 S HN 0.531 nan 8.310 nan 0.000 0.448 406 R N 0.774 121.158 120.500 -0.194 0.000 2.115 406 R HA 0.062 4.402 4.340 -0.000 0.000 0.230 406 R C 2.517 178.692 176.300 -0.208 0.000 1.111 406 R CA 0.980 56.965 56.100 -0.193 0.000 0.976 406 R CB -0.383 29.848 30.300 -0.116 0.000 0.870 406 R HN 0.399 nan 8.270 nan 0.000 0.445 407 A N 1.325 124.008 122.820 -0.228 0.000 1.877 407 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 407 A C 2.024 179.496 177.584 -0.187 0.000 1.186 407 A CA 1.150 53.078 52.037 -0.182 0.000 0.620 407 A CB -0.345 18.487 19.000 -0.279 0.000 0.822 407 A HN 0.207 nan 8.150 nan 0.000 0.443 408 R N -0.317 119.999 120.500 -0.307 0.000 2.127 408 R HA -0.113 4.227 4.340 -0.000 0.000 0.238 408 R C 1.975 178.166 176.300 -0.182 0.000 1.134 408 R CA 1.635 57.616 56.100 -0.199 0.000 0.975 408 R CB -0.224 29.947 30.300 -0.215 0.000 0.865 408 R HN 0.505 nan 8.270 nan 0.000 0.447 409 K N 0.016 120.218 120.400 -0.329 0.000 2.243 409 K HA 0.063 4.383 4.320 -0.000 0.000 0.201 409 K C 1.910 178.210 176.600 -0.501 0.000 1.051 409 K CA 0.628 56.526 56.287 -0.648 0.000 0.970 409 K CB 0.209 31.980 32.500 -1.215 0.000 0.755 409 K HN 0.127 nan 8.250 nan 0.000 0.465 410 I N 1.278 121.692 120.570 -0.261 0.000 2.333 410 I HA -0.244 3.926 4.170 -0.000 0.000 0.246 410 I C 2.292 178.473 176.117 0.107 0.000 1.106 410 I CA 1.087 62.363 61.300 -0.041 0.000 1.411 410 I CB -0.105 37.932 38.000 0.062 0.000 1.082 410 I HN 0.197 nan 8.210 nan 0.000 0.420 411 Q N 0.677 120.517 119.800 0.066 0.000 2.014 411 Q HA -0.258 4.082 4.340 -0.000 0.000 0.207 411 Q C 2.380 178.456 176.000 0.126 0.000 0.993 411 Q CA 1.782 57.648 55.803 0.106 0.000 0.850 411 Q CB -0.288 28.506 28.738 0.095 0.000 0.916 411 Q HN 0.452 nan 8.270 nan 0.000 0.417 412 R N -0.145 120.429 120.500 0.122 0.000 2.091 412 R HA -0.136 4.204 4.340 -0.000 0.000 0.238 412 R C 2.036 178.486 176.300 0.249 0.000 1.136 412 R CA 1.238 57.475 56.100 0.228 0.000 0.959 412 R CB -0.395 30.061 30.300 0.259 0.000 0.856 412 R HN 0.166 nan 8.270 nan 0.000 0.437 413 F N 1.053 121.009 119.950 0.011 0.000 2.583 413 F HA -0.031 4.496 4.527 -0.000 0.000 0.297 413 F C 1.417 177.271 175.800 0.091 0.000 1.131 413 F CA 0.854 58.836 58.000 -0.029 0.000 1.467 413 F CB 0.031 38.839 39.000 -0.319 0.000 1.097 413 F HN -0.036 nan 8.300 nan 0.000 0.586 414 L N -0.883 120.416 121.223 0.127 0.000 2.307 414 L HA -0.010 4.330 4.340 -0.000 0.000 0.211 414 L C 1.753 178.636 176.870 0.023 0.000 1.099 414 L CA 0.391 55.313 54.840 0.137 0.000 0.816 414 L CB -0.688 41.473 42.059 0.170 0.000 0.952 414 L HN 0.082 nan 8.230 nan 0.000 0.455 415 S N -0.241 115.468 115.700 0.014 0.000 2.641 415 S HA 0.186 4.656 4.470 -0.000 0.000 0.251 415 S C -0.131 174.404 174.600 -0.107 0.000 1.332 415 S CA -0.320 57.850 58.200 -0.050 0.000 0.968 415 S CB 1.217 64.379 63.200 -0.065 0.000 0.987 415 S HN 0.316 nan 8.310 nan 0.000 0.587 416 Q N -0.471 119.233 119.800 -0.159 0.000 2.776 416 Q HA 0.282 4.622 4.340 -0.000 0.000 0.248 416 Q C -3.260 172.660 176.000 -0.135 0.000 0.990 416 Q CA -1.206 54.539 55.803 -0.097 0.000 0.953 416 Q CB 1.929 30.711 28.738 0.075 0.000 1.801 416 Q HN 0.599 nan 8.270 nan 0.000 0.448 417 P HA 0.292 nan 4.420 nan 0.000 0.297 417 P C -1.000 176.452 177.300 0.253 0.000 1.331 417 P CA -0.028 63.075 63.100 0.005 0.000 0.803 417 P CB 0.224 31.924 31.700 0.000 0.000 0.929 418 F N 1.403 121.367 119.950 0.024 0.000 2.379 418 F HA 0.221 4.748 4.527 -0.000 0.000 0.332 418 F C 2.389 178.214 175.800 0.042 0.000 1.096 418 F CA -0.841 57.177 58.000 0.030 0.000 1.105 418 F CB 1.677 40.695 39.000 0.030 0.000 1.189 418 F HN 0.393 nan 8.300 nan 0.000 0.515 419 Q N 1.263 121.198 119.800 0.224 0.000 2.030 419 Q HA -0.144 4.196 4.340 -0.000 0.000 0.204 419 Q C 1.686 177.774 176.000 0.147 0.000 0.986 419 Q CA 1.690 57.575 55.803 0.137 0.000 0.843 419 Q CB -0.112 28.671 28.738 0.076 0.000 0.904 419 Q HN 0.608 nan 8.270 nan 0.000 0.420 420 V N 0.616 120.626 119.914 0.160 0.000 3.284 420 V HA -0.171 3.949 4.120 -0.000 0.000 0.273 420 V C 1.369 177.581 176.094 0.196 0.000 1.178 420 V CA 1.420 63.812 62.300 0.153 0.000 1.177 420 V CB -0.509 31.396 31.823 0.136 0.000 0.793 420 V HN 0.467 nan 8.190 nan 0.000 0.536 421 A N -1.402 121.548 122.820 0.217 0.000 2.585 421 A HA 0.250 4.570 4.320 -0.000 0.000 0.266 421 A C 1.597 179.349 177.584 0.280 0.000 1.178 421 A CA -0.133 52.063 52.037 0.265 0.000 0.966 421 A CB 0.100 19.145 19.000 0.076 0.000 1.170 421 A HN 0.443 nan 8.150 nan 0.000 0.558 422 E N 0.146 120.454 120.200 0.179 0.000 2.147 422 E HA -0.212 4.138 4.350 -0.000 0.000 0.199 422 E C 1.626 178.265 176.600 0.064 0.000 1.005 422 E CA 1.665 58.136 56.400 0.118 0.000 0.810 422 E CB -0.314 29.434 29.700 0.079 0.000 0.736 422 E HN 0.440 nan 8.360 nan 0.000 0.460 423 V N 0.403 120.319 119.914 0.004 0.000 2.490 423 V HA -0.231 3.889 4.120 -0.000 0.000 0.250 423 V C 1.712 177.617 176.094 -0.314 0.000 1.061 423 V CA 1.691 63.855 62.300 -0.228 0.000 1.064 423 V CB -0.513 31.032 31.823 -0.463 0.000 0.670 423 V HN 0.206 nan 8.190 nan 0.000 0.461 424 F N 0.431 120.374 119.950 -0.012 0.000 2.619 424 F HA 0.042 4.568 4.527 -0.000 0.000 0.293 424 F C 2.450 178.264 175.800 0.024 0.000 1.119 424 F CA 1.077 59.068 58.000 -0.015 0.000 1.445 424 F CB -0.911 38.044 39.000 -0.075 0.000 1.119 424 F HN 0.235 nan 8.300 nan 0.000 0.573 425 T N -3.716 110.973 114.554 0.226 0.000 3.037 425 T HA 0.338 4.688 4.350 -0.000 0.000 0.252 425 T C 1.819 176.657 174.700 0.231 0.000 1.073 425 T CA 0.531 62.773 62.100 0.237 0.000 1.091 425 T CB -0.138 68.852 68.868 0.204 0.000 0.935 425 T HN 0.372 nan 8.240 nan 0.000 0.488 426 G N 1.355 110.200 108.800 0.075 0.000 2.225 426 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.267 426 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.267 426 G C -0.243 174.488 174.900 -0.281 0.000 1.024 426 G CA 0.439 45.484 45.100 -0.092 0.000 0.784 426 G HN 0.836 nan 8.290 nan 0.000 0.507 427 H N -2.077 117.007 119.070 0.023 0.000 2.851 427 H HA 0.586 5.142 4.556 -0.000 0.000 0.372 427 H C 0.073 175.415 175.328 0.025 0.000 1.158 427 H CA -0.891 55.167 56.048 0.017 0.000 1.159 427 H CB 1.608 31.371 29.762 0.002 0.000 1.757 427 H HN 0.332 nan 8.280 nan 0.000 0.546 428 L N 1.820 123.126 121.223 0.138 0.000 2.453 428 L HA 0.357 4.697 4.340 -0.000 0.000 0.272 428 L C 0.845 177.779 176.870 0.105 0.000 1.182 428 L CA 0.292 55.187 54.840 0.093 0.000 0.858 428 L CB 0.281 42.379 42.059 0.066 0.000 1.120 428 L HN 0.818 nan 8.230 nan 0.000 0.474 429 G N 3.713 112.571 108.800 0.098 0.000 2.630 429 G HA2 0.221 4.181 3.960 -0.000 0.000 0.236 429 G HA3 0.221 4.181 3.960 -0.000 0.000 0.236 429 G C -0.581 174.373 174.900 0.089 0.000 1.248 429 G CA -0.445 44.722 45.100 0.111 0.000 0.844 429 G HN 0.611 nan 8.290 nan 0.000 0.588 430 K N 0.050 120.512 120.400 0.103 0.000 2.468 430 K HA 0.377 4.697 4.320 -0.000 0.000 0.252 430 K C -1.491 175.142 176.600 0.056 0.000 0.932 430 K CA -0.917 55.412 56.287 0.071 0.000 0.794 430 K CB 2.366 34.902 32.500 0.060 0.000 1.241 430 K HN 0.304 nan 8.250 nan 0.000 0.428 431 L N 3.336 124.575 121.223 0.027 0.000 2.366 431 L HA 0.335 4.675 4.340 -0.000 0.000 0.266 431 L C -1.180 175.695 176.870 0.007 0.000 1.010 431 L CA -0.686 54.156 54.840 0.003 0.000 0.879 431 L CB 1.362 43.418 42.059 -0.006 0.000 1.228 431 L HN 0.299 nan 8.230 nan 0.000 0.439 432 V N 7.196 127.112 119.914 0.004 0.000 2.498 432 V HA 0.435 4.555 4.120 -0.000 0.000 0.279 432 V C -1.851 174.242 176.094 -0.002 0.000 1.048 432 V CA -1.205 61.100 62.300 0.009 0.000 0.967 432 V CB 1.081 32.908 31.823 0.005 0.000 0.988 432 V HN 0.647 nan 8.190 nan 0.000 0.473 433 P HA 0.195 nan 4.420 nan 0.000 0.276 433 P C 0.578 177.870 177.300 -0.014 0.000 1.261 433 P CA -0.545 62.554 63.100 -0.002 0.000 0.800 433 P CB 0.697 32.403 31.700 0.010 0.000 1.066 434 L N 2.272 123.474 121.223 -0.036 0.000 1.976 434 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 434 L C 2.170 178.999 176.870 -0.069 0.000 1.071 434 L CA 2.070 56.861 54.840 -0.081 0.000 0.746 434 L CB -1.404 40.598 42.059 -0.095 0.000 0.890 434 L HN 0.363 nan 8.230 nan 0.000 0.432 435 K N -1.123 119.258 120.400 -0.031 0.000 2.063 435 K HA -0.197 4.123 4.320 -0.000 0.000 0.208 435 K C 1.649 178.274 176.600 0.041 0.000 1.048 435 K CA 1.740 58.026 56.287 -0.001 0.000 0.928 435 K CB -0.731 31.779 32.500 0.015 0.000 0.713 435 K HN 0.367 nan 8.250 nan 0.000 0.442 436 E N 0.744 120.975 120.200 0.052 0.000 2.160 436 E HA -0.131 4.219 4.350 -0.000 0.000 0.195 436 E C 2.038 178.736 176.600 0.162 0.000 0.991 436 E CA 1.752 58.210 56.400 0.096 0.000 0.810 436 E CB -0.352 29.396 29.700 0.080 0.000 0.742 436 E HN 0.519 nan 8.360 nan 0.000 0.466 437 T N 1.785 116.413 114.554 0.124 0.000 2.896 437 T HA -0.012 4.338 4.350 -0.000 0.000 0.263 437 T C 2.049 176.913 174.700 0.273 0.000 1.050 437 T CA 0.404 62.628 62.100 0.207 0.000 1.140 437 T CB 0.053 68.939 68.868 0.031 0.000 0.877 437 T HN 0.046 nan 8.240 nan 0.000 0.457 438 I N 1.828 122.455 120.570 0.096 0.000 2.142 438 I HA -0.137 4.033 4.170 -0.000 0.000 0.240 438 I C 2.497 178.742 176.117 0.213 0.000 1.078 438 I CA 1.485 62.838 61.300 0.088 0.000 1.343 438 I CB -1.096 36.906 38.000 0.003 0.000 1.046 438 I HN 0.269 nan 8.210 nan 0.000 0.405 439 K N 1.309 121.816 120.400 0.180 0.000 1.987 439 K HA -0.205 4.115 4.320 -0.000 0.000 0.216 439 K C 2.213 178.956 176.600 0.238 0.000 1.051 439 K CA 2.185 58.580 56.287 0.180 0.000 0.942 439 K CB -0.670 31.914 32.500 0.139 0.000 0.722 439 K HN 0.328 nan 8.250 nan 0.000 0.444 440 G N 0.391 109.370 108.800 0.298 0.000 2.547 440 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.221 440 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.221 440 G C 1.281 176.266 174.900 0.142 0.000 1.140 440 G CA 1.376 46.629 45.100 0.256 0.000 0.760 440 G HN 0.338 nan 8.290 nan 0.000 0.583 441 F N 0.398 120.507 119.950 0.266 0.000 2.187 441 F HA 0.105 4.632 4.527 -0.000 0.000 0.295 441 F C 3.046 178.917 175.800 0.119 0.000 1.091 441 F CA 1.180 59.297 58.000 0.195 0.000 1.308 441 F CB -0.603 38.504 39.000 0.179 0.000 1.030 441 F HN 0.122 nan 8.300 nan 0.000 0.487 442 Q N 0.146 120.122 119.800 0.294 0.000 2.133 442 Q HA -0.303 4.037 4.340 -0.000 0.000 0.208 442 Q C 2.148 178.236 176.000 0.145 0.000 0.991 442 Q CA 2.053 57.966 55.803 0.183 0.000 0.867 442 Q CB -0.366 28.460 28.738 0.147 0.000 0.911 442 Q HN 0.572 nan 8.270 nan 0.000 0.417 443 Q N 0.039 119.935 119.800 0.161 0.000 2.046 443 Q HA -0.119 4.221 4.340 -0.000 0.000 0.200 443 Q C 2.142 178.246 176.000 0.173 0.000 0.975 443 Q CA 1.077 56.982 55.803 0.170 0.000 0.836 443 Q CB -0.064 28.853 28.738 0.299 0.000 0.896 443 Q HN 0.431 nan 8.270 nan 0.000 0.428 444 I N 0.673 121.318 120.570 0.125 0.000 2.286 444 I HA -0.298 3.872 4.170 -0.000 0.000 0.248 444 I C 2.175 178.303 176.117 0.018 0.000 1.115 444 I CA 1.039 62.359 61.300 0.034 0.000 1.392 444 I CB -0.267 37.603 38.000 -0.217 0.000 1.065 444 I HN 0.218 nan 8.210 nan 0.000 0.418 445 L N 0.669 121.923 121.223 0.052 0.000 2.005 445 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 445 L C 2.659 179.551 176.870 0.037 0.000 1.072 445 L CA 1.311 56.179 54.840 0.048 0.000 0.744 445 L CB -0.683 41.424 42.059 0.080 0.000 0.895 445 L HN 0.212 nan 8.230 nan 0.000 0.433 446 A N -0.155 122.693 122.820 0.048 0.000 2.272 446 A HA 0.019 4.339 4.320 -0.000 0.000 0.213 446 A C 1.782 179.376 177.584 0.016 0.000 1.183 446 A CA 1.035 53.090 52.037 0.031 0.000 0.719 446 A CB -1.087 17.932 19.000 0.032 0.000 0.771 446 A HN 0.682 nan 8.150 nan 0.000 0.484 447 G N -1.069 107.744 108.800 0.021 0.000 2.162 447 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.260 447 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.260 447 G C 0.611 175.520 174.900 0.014 0.000 0.976 447 G CA 0.752 45.863 45.100 0.018 0.000 0.655 447 G HN 0.631 nan 8.290 nan 0.000 0.533 448 E N -1.142 119.045 120.200 -0.022 0.000 2.209 448 E HA -0.118 4.232 4.350 -0.000 0.000 0.196 448 E C 0.971 177.393 176.600 -0.296 0.000 0.993 448 E CA 1.240 57.535 56.400 -0.175 0.000 0.819 448 E CB -0.103 29.439 29.700 -0.263 0.000 0.745 448 E HN 0.786 nan 8.360 nan 0.000 0.477 449 Y N -0.380 119.960 120.300 0.067 0.000 2.720 449 Y HA 0.123 4.673 4.550 -0.000 0.000 0.268 449 Y C 0.639 176.536 175.900 -0.006 0.000 1.142 449 Y CA -0.482 57.617 58.100 -0.000 0.000 1.193 449 Y CB 0.669 39.171 38.460 0.070 0.000 1.176 449 Y HN -0.114 nan 8.280 nan 0.000 0.542 450 D N 0.112 120.605 120.400 0.155 0.000 2.392 450 D HA -0.137 4.503 4.640 -0.000 0.000 0.228 450 D C 1.732 178.112 176.300 0.133 0.000 1.003 450 D CA 1.052 55.114 54.000 0.103 0.000 0.917 450 D CB -0.006 40.835 40.800 0.067 0.000 0.890 450 D HN 0.652 nan 8.370 nan 0.000 0.532 451 H N -1.264 117.854 119.070 0.081 0.000 2.654 451 H HA 0.163 4.719 4.556 -0.000 0.000 0.264 451 H C 0.955 176.334 175.328 0.084 0.000 0.954 451 H CA -0.209 55.874 56.048 0.058 0.000 1.199 451 H CB 0.104 29.881 29.762 0.024 0.000 1.446 451 H HN 0.035 nan 8.280 nan 0.000 0.516 452 L N 2.445 123.522 121.223 -0.244 0.000 2.436 452 L HA 0.308 4.648 4.340 -0.000 0.000 0.265 452 L C -2.202 174.704 176.870 0.060 0.000 1.168 452 L CA -1.952 52.811 54.840 -0.128 0.000 0.815 452 L CB 0.587 42.504 42.059 -0.237 0.000 1.109 452 L HN 0.004 nan 8.230 nan 0.000 0.462 453 P HA 0.169 nan 4.420 nan 0.000 0.284 453 P C 0.042 177.440 177.300 0.163 0.000 1.253 453 P CA -0.483 62.662 63.100 0.076 0.000 0.800 453 P CB 0.967 32.687 31.700 0.034 0.000 0.961 454 E N 1.746 122.029 120.200 0.138 0.000 2.072 454 E HA -0.339 4.010 4.350 -0.000 0.000 0.218 454 E C 1.846 178.581 176.600 0.226 0.000 1.051 454 E CA 1.705 58.201 56.400 0.160 0.000 0.880 454 E CB -0.314 29.409 29.700 0.038 0.000 0.783 454 E HN 0.574 nan 8.360 nan 0.000 0.473 455 Q N 0.177 120.046 119.800 0.115 0.000 2.534 455 Q HA -0.205 4.135 4.340 -0.000 0.000 0.218 455 Q C 1.754 177.833 176.000 0.132 0.000 0.989 455 Q CA 1.559 57.428 55.803 0.111 0.000 0.903 455 Q CB -0.334 28.438 28.738 0.056 0.000 0.942 455 Q HN 0.303 nan 8.270 nan 0.000 0.501 456 A N -0.003 122.865 122.820 0.079 0.000 2.072 456 A HA 0.124 4.444 4.320 -0.000 0.000 0.216 456 A C 1.288 178.757 177.584 -0.191 0.000 1.156 456 A CA 0.248 52.218 52.037 -0.113 0.000 0.701 456 A CB -0.296 18.522 19.000 -0.303 0.000 0.816 456 A HN 0.297 nan 8.150 nan 0.000 0.458 457 F N -2.276 117.666 119.950 -0.013 0.000 2.776 457 F HA 0.211 4.738 4.527 -0.000 0.000 0.300 457 F C 0.703 176.593 175.800 0.150 0.000 1.116 457 F CA -0.497 57.518 58.000 0.025 0.000 1.375 457 F CB -0.281 38.700 39.000 -0.031 0.000 1.109 457 F HN 0.272 nan 8.300 nan 0.000 0.585 458 Y N 1.769 122.167 120.300 0.164 0.000 2.442 458 Y HA 0.263 4.813 4.550 -0.000 0.000 0.330 458 Y C 0.695 176.585 175.900 -0.016 0.000 1.129 458 Y CA -1.414 56.731 58.100 0.075 0.000 1.365 458 Y CB 0.241 38.729 38.460 0.048 0.000 1.233 458 Y HN 0.036 nan 8.280 nan 0.000 0.529 459 M N 6.082 125.254 119.600 -0.713 0.000 2.852 459 M HA -0.156 4.324 4.480 -0.000 0.000 0.176 459 M C -1.296 174.770 176.300 -0.389 0.000 1.160 459 M CA 1.042 55.926 55.300 -0.693 0.000 0.702 459 M CB -2.489 29.470 32.600 -1.068 0.000 1.193 459 M HN 0.514 nan 8.290 nan 0.000 0.775 460 V N -2.357 117.449 119.914 -0.180 0.000 3.188 460 V HA 1.047 5.167 4.120 -0.000 0.000 0.305 460 V C 0.603 176.684 176.094 -0.022 0.000 1.232 460 V CA -0.238 62.020 62.300 -0.070 0.000 1.043 460 V CB 1.606 33.433 31.823 0.007 0.000 1.068 460 V HN 0.494 nan 8.190 nan 0.000 0.439 461 G N 0.633 109.443 108.800 0.016 0.000 3.056 461 G HA2 0.406 4.366 3.960 -0.000 0.000 0.175 461 G HA3 0.406 4.366 3.960 -0.000 0.000 0.175 461 G C -1.808 173.136 174.900 0.073 0.000 1.894 461 G CA 0.146 45.261 45.100 0.025 0.000 0.910 461 G HN 0.827 nan 8.290 nan 0.000 0.462 462 P HA 0.069 nan 4.420 nan 0.000 0.280 462 P C 0.779 178.276 177.300 0.329 0.000 1.278 462 P CA -0.371 62.849 63.100 0.200 0.000 0.787 462 P CB 1.000 32.769 31.700 0.114 0.000 1.163 463 I N -0.010 120.715 120.570 0.258 0.000 2.353 463 I HA -0.179 3.991 4.170 -0.000 0.000 0.248 463 I C 2.081 178.054 176.117 -0.240 0.000 1.119 463 I CA 1.523 62.719 61.300 -0.173 0.000 1.417 463 I CB -1.057 36.738 38.000 -0.341 0.000 1.078 463 I HN 0.217 nan 8.210 nan 0.000 0.421 464 E N 0.686 120.837 120.200 -0.080 0.000 2.147 464 E HA -0.268 4.082 4.350 -0.000 0.000 0.199 464 E C 1.868 178.411 176.600 -0.095 0.000 1.005 464 E CA 1.808 58.168 56.400 -0.067 0.000 0.810 464 E CB -0.313 29.385 29.700 -0.003 0.000 0.736 464 E HN 0.592 nan 8.360 nan 0.000 0.460 465 E N -0.419 119.742 120.200 -0.066 0.000 2.511 465 E HA 0.039 4.389 4.350 -0.000 0.000 0.196 465 E C 1.551 178.067 176.600 -0.141 0.000 1.066 465 E CA 0.376 56.737 56.400 -0.065 0.000 0.871 465 E CB 0.182 29.876 29.700 -0.011 0.000 0.863 465 E HN 0.288 nan 8.360 nan 0.000 0.520 466 A N 0.449 123.104 122.820 -0.275 0.000 1.943 466 A HA -0.017 4.303 4.320 -0.000 0.000 0.213 466 A C 2.317 179.575 177.584 -0.543 0.000 1.181 466 A CA 0.344 52.068 52.037 -0.522 0.000 0.653 466 A CB -0.067 18.367 19.000 -0.944 0.000 0.833 466 A HN 0.092 nan 8.150 nan 0.000 0.451 467 V N 0.093 119.758 119.914 -0.415 0.000 2.283 467 V HA -0.181 3.939 4.120 -0.000 0.000 0.243 467 V C 3.061 179.067 176.094 -0.146 0.000 1.039 467 V CA 1.749 63.900 62.300 -0.249 0.000 1.016 467 V CB -1.281 30.485 31.823 -0.094 0.000 0.650 467 V HN 0.574 nan 8.190 nan 0.000 0.449 468 A N 0.234 122.989 122.820 -0.108 0.000 1.869 468 A HA -0.370 3.950 4.320 -0.000 0.000 0.218 468 A C 2.312 179.858 177.584 -0.063 0.000 1.203 468 A CA 2.715 54.716 52.037 -0.061 0.000 0.638 468 A CB -0.740 18.235 19.000 -0.042 0.000 0.831 468 A HN 0.520 nan 8.150 nan 0.000 0.450 469 K N -0.478 119.873 120.400 -0.083 0.000 2.286 469 K HA -0.124 4.196 4.320 -0.000 0.000 0.203 469 K C 1.970 178.526 176.600 -0.074 0.000 1.045 469 K CA 1.206 57.455 56.287 -0.064 0.000 0.935 469 K CB -0.298 32.160 32.500 -0.069 0.000 0.737 469 K HN 0.452 nan 8.250 nan 0.000 0.460 470 A N 1.119 123.867 122.820 -0.119 0.000 1.872 470 A HA -0.143 4.177 4.320 -0.000 0.000 0.214 470 A C 1.524 179.082 177.584 -0.044 0.000 1.187 470 A CA 1.827 53.802 52.037 -0.103 0.000 0.614 470 A CB -0.493 18.414 19.000 -0.155 0.000 0.826 470 A HN 0.406 nan 8.150 nan 0.000 0.442 471 D N -0.475 119.905 120.400 -0.032 0.000 2.097 471 D HA -0.158 4.482 4.640 -0.000 0.000 0.195 471 D C 1.938 178.235 176.300 -0.004 0.000 0.989 471 D CA 1.603 55.598 54.000 -0.008 0.000 0.827 471 D CB -0.117 40.681 40.800 -0.004 0.000 0.966 471 D HN 0.472 nan 8.370 nan 0.000 0.456 472 K N 0.277 120.673 120.400 -0.007 0.000 2.127 472 K HA -0.157 4.163 4.320 -0.000 0.000 0.208 472 K C 1.893 178.496 176.600 0.005 0.000 1.047 472 K CA 0.913 57.201 56.287 0.001 0.000 0.927 472 K CB -0.121 32.381 32.500 0.004 0.000 0.716 472 K HN 0.171 nan 8.250 nan 0.000 0.450 473 L N 0.300 121.524 121.223 0.001 0.000 2.217 473 L HA -0.027 4.313 4.340 -0.000 0.000 0.211 473 L C 1.036 177.911 176.870 0.008 0.000 1.107 473 L CA 0.373 55.216 54.840 0.006 0.000 0.783 473 L CB -0.651 41.409 42.059 0.002 0.000 0.919 473 L HN 0.366 nan 8.230 nan 0.000 0.442 474 A N 0.000 122.824 122.820 0.007 0.000 2.254 474 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 474 A CA 0.000 52.044 52.037 0.011 0.000 0.836 474 A CB 0.000 19.006 19.000 0.010 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486