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 2xnd_1_E 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 0.000 174.806 174.700 0.176 0.000 1.109 9 T CA 0.000 62.185 62.100 0.142 0.000 1.349 9 T CB 0.000 68.973 68.868 0.175 0.000 0.612 10 T N -0.022 114.619 114.554 0.144 0.000 2.893 10 T HA 0.805 5.152 4.350 -0.005 0.000 0.293 10 T C -0.192 174.291 174.700 -0.361 0.000 1.027 10 T CA -0.386 61.686 62.100 -0.046 0.000 0.988 10 T CB 1.745 70.578 68.868 -0.058 0.000 1.043 10 T HN 1.178 nan 8.240 nan 0.000 0.461 11 G N 1.202 109.534 108.800 -0.780 0.000 2.642 11 G HA2 0.721 4.678 3.960 -0.005 0.000 0.293 11 G HA3 0.721 4.678 3.960 -0.005 0.000 0.293 11 G C -1.365 173.213 174.900 -0.536 0.000 1.341 11 G CA -0.944 43.495 45.100 -1.102 0.000 0.916 11 G HN 0.604 nan 8.290 nan 0.000 0.474 12 R N 0.027 120.304 120.500 -0.372 0.000 2.732 12 R HA 0.419 4.756 4.340 -0.005 0.000 0.278 12 R C -0.143 176.063 176.300 -0.157 0.000 0.976 12 R CA -0.976 55.000 56.100 -0.206 0.000 0.963 12 R CB 1.973 32.191 30.300 -0.137 0.000 1.150 12 R HN 0.290 nan 8.270 nan 0.000 0.478 13 I N 4.050 124.557 120.570 -0.105 0.000 2.505 13 I HA -0.062 4.105 4.170 -0.005 0.000 0.287 13 I C 1.543 177.630 176.117 -0.051 0.000 1.104 13 I CA 0.499 61.759 61.300 -0.067 0.000 1.387 13 I CB 0.658 38.630 38.000 -0.047 0.000 1.404 13 I HN 0.608 nan 8.210 nan 0.000 0.528 14 V N 3.614 123.505 119.914 -0.039 0.000 3.125 14 V HA 0.461 4.578 4.120 -0.005 0.000 0.249 14 V C 0.800 176.884 176.094 -0.017 0.000 1.113 14 V CA 0.455 62.739 62.300 -0.027 0.000 1.106 14 V CB -0.057 31.753 31.823 -0.021 0.000 0.768 14 V HN 0.747 nan 8.190 nan 0.000 0.468 15 A N -0.256 122.556 122.820 -0.013 0.000 2.517 15 A HA 0.769 5.086 4.320 -0.005 0.000 0.297 15 A C -1.212 176.369 177.584 -0.005 0.000 1.050 15 A CA -0.365 51.668 52.037 -0.007 0.000 0.694 15 A CB 2.166 21.164 19.000 -0.003 0.000 1.277 15 A HN 0.303 nan 8.150 nan 0.000 0.400 16 V N 3.348 123.259 119.914 -0.006 0.000 2.376 16 V HA 0.477 4.594 4.120 -0.005 0.000 0.287 16 V C -0.771 175.321 176.094 -0.002 0.000 1.015 16 V CA -0.032 62.266 62.300 -0.004 0.000 0.834 16 V CB 0.970 32.790 31.823 -0.006 0.000 1.001 16 V HN 0.689 nan 8.190 nan 0.000 0.428 17 I N 4.588 125.158 120.570 -0.001 0.000 2.448 17 I HA 0.645 4.812 4.170 -0.005 0.000 0.281 17 I C 1.092 177.209 176.117 -0.001 0.000 1.027 17 I CA -0.029 61.270 61.300 -0.001 0.000 1.111 17 I CB 1.408 39.408 38.000 -0.000 0.000 1.236 17 I HN 0.769 nan 8.210 nan 0.000 0.452 18 G N 5.021 113.820 108.800 -0.002 0.000 2.634 18 G HA2 -0.378 3.579 3.960 -0.005 0.000 0.318 18 G HA3 -0.378 3.579 3.960 -0.005 0.000 0.318 18 G C 0.781 175.681 174.900 -0.001 0.000 1.207 18 G CA 0.621 45.720 45.100 -0.002 0.000 0.987 18 G HN 0.904 nan 8.290 nan 0.000 0.547 19 A N -0.700 122.120 122.820 -0.001 0.000 2.423 19 A HA 0.661 4.978 4.320 -0.005 0.000 0.246 19 A C 0.382 177.969 177.584 0.005 0.000 1.278 19 A CA 1.082 53.119 52.037 0.001 0.000 0.903 19 A CB 0.307 19.306 19.000 -0.001 0.000 0.997 19 A HN 1.324 nan 8.150 nan 0.000 0.510 20 V N 1.068 120.985 119.914 0.005 0.000 2.409 20 V HA 0.414 4.531 4.120 -0.005 0.000 0.291 20 V C -0.641 175.458 176.094 0.010 0.000 1.020 20 V CA -0.460 61.846 62.300 0.009 0.000 0.848 20 V CB 1.521 33.348 31.823 0.007 0.000 0.990 20 V HN 0.112 nan 8.190 nan 0.000 0.430 21 V N 3.816 123.739 119.914 0.015 0.000 2.555 21 V HA 0.567 4.684 4.120 -0.005 0.000 0.302 21 V C -0.758 175.348 176.094 0.020 0.000 1.038 21 V CA -0.787 61.520 62.300 0.013 0.000 0.887 21 V CB 2.233 34.063 31.823 0.011 0.000 0.991 21 V HN 0.771 nan 8.190 nan 0.000 0.434 22 D N 2.587 122.994 120.400 0.013 0.000 2.192 22 D HA 0.625 5.262 4.640 -0.005 0.000 0.246 22 D C -0.853 175.452 176.300 0.008 0.000 1.042 22 D CA -0.129 53.882 54.000 0.019 0.000 0.847 22 D CB 2.497 43.305 40.800 0.013 0.000 1.186 22 D HN 0.258 nan 8.370 nan 0.000 0.461 23 V N 2.185 122.116 119.914 0.028 0.000 2.577 23 V HA 0.244 4.361 4.120 -0.005 0.000 0.303 23 V C -0.252 175.853 176.094 0.017 0.000 1.042 23 V CA -0.823 61.471 62.300 -0.011 0.000 0.872 23 V CB 2.105 33.922 31.823 -0.010 0.000 0.998 23 V HN 0.415 nan 8.190 nan 0.000 0.423 24 Q N 3.826 123.582 119.800 -0.072 0.000 2.368 24 Q HA 0.518 4.855 4.340 -0.005 0.000 0.256 24 Q C -1.587 174.350 176.000 -0.106 0.000 0.980 24 Q CA -0.454 55.337 55.803 -0.020 0.000 0.887 24 Q CB 0.875 29.597 28.738 -0.027 0.000 1.221 24 Q HN 0.605 nan 8.270 nan 0.000 0.458 25 F N 2.119 122.035 119.950 -0.056 0.000 2.379 25 F HA 0.171 4.695 4.527 -0.005 0.000 0.332 25 F C 1.254 177.029 175.800 -0.041 0.000 1.096 25 F CA -0.332 57.639 58.000 -0.047 0.000 1.105 25 F CB 1.058 40.024 39.000 -0.057 0.000 1.189 25 F HN 0.600 nan 8.300 nan 0.000 0.515 26 D N 0.679 121.154 120.400 0.125 0.000 2.106 26 D HA -0.090 4.547 4.640 -0.005 0.000 0.203 26 D C 1.617 177.961 176.300 0.072 0.000 0.977 26 D CA 1.221 55.261 54.000 0.067 0.000 0.844 26 D CB 0.084 40.904 40.800 0.032 0.000 1.002 26 D HN 0.589 nan 8.370 nan 0.000 0.461 27 E N 1.662 121.915 120.200 0.087 0.000 3.122 27 E HA 0.110 4.457 4.350 -0.005 0.000 0.367 27 E C 1.042 177.663 176.600 0.035 0.000 0.496 27 E CA -0.039 56.393 56.400 0.053 0.000 1.980 27 E CB -1.160 28.567 29.700 0.045 0.000 2.034 27 E HN -0.037 nan 8.360 nan 0.000 0.508 28 G N 0.922 109.731 108.800 0.015 0.000 2.415 28 G HA2 0.451 4.408 3.960 -0.005 0.000 0.269 28 G HA3 0.451 4.408 3.960 -0.005 0.000 0.269 28 G C -0.762 174.045 174.900 -0.155 0.000 1.209 28 G CA -0.483 44.590 45.100 -0.045 0.000 0.835 28 G HN 0.095 nan 8.290 nan 0.000 0.534 29 L N 3.075 124.169 121.223 -0.215 0.000 2.322 29 L HA 0.430 4.767 4.340 -0.005 0.000 0.279 29 L C -1.666 174.974 176.870 -0.384 0.000 1.036 29 L CA -1.695 52.882 54.840 -0.439 0.000 0.807 29 L CB 1.850 43.672 42.059 -0.395 0.000 1.226 29 L HN 0.358 nan 8.230 nan 0.000 0.433 30 P HA 0.188 nan 4.420 nan 0.000 0.271 30 P C -2.685 174.605 177.300 -0.016 0.000 1.220 30 P CA -1.236 61.693 63.100 -0.285 0.000 0.768 30 P CB 0.079 31.576 31.700 -0.338 0.000 0.848 31 P HA 0.108 nan 4.420 nan 0.000 0.270 31 P C 0.374 177.672 177.300 -0.003 0.000 1.223 31 P CA -0.086 63.018 63.100 0.006 0.000 0.785 31 P CB 0.657 32.329 31.700 -0.047 0.000 0.923 32 I N 2.289 122.796 120.570 -0.106 0.000 2.752 32 I HA -0.130 4.037 4.170 -0.005 0.000 0.289 32 I C 1.449 177.502 176.117 -0.107 0.000 1.197 32 I CA 0.719 61.962 61.300 -0.095 0.000 1.432 32 I CB -0.534 37.368 38.000 -0.164 0.000 1.359 32 I HN 0.425 nan 8.210 nan 0.000 0.571 33 L N 2.440 123.612 121.223 -0.085 0.000 3.573 33 L HA -0.196 4.141 4.340 -0.005 0.000 0.429 33 L C -0.004 176.848 176.870 -0.031 0.000 0.772 33 L CA -0.066 54.696 54.840 -0.130 0.000 2.328 33 L CB -1.467 40.367 42.059 -0.376 0.000 1.306 33 L HN 0.665 nan 8.230 nan 0.000 0.574 34 N N 1.748 120.443 118.700 -0.008 0.000 2.497 34 N HA 0.503 5.240 4.740 -0.005 0.000 0.268 34 N C 0.388 175.925 175.510 0.044 0.000 1.171 34 N CA 0.889 53.949 53.050 0.017 0.000 0.948 34 N CB 1.111 39.595 38.487 -0.006 0.000 1.069 34 N HN 0.308 nan 8.380 nan 0.000 0.460 35 A N 3.006 125.861 122.820 0.057 0.000 2.462 35 A HA 0.380 4.697 4.320 -0.005 0.000 0.243 35 A C -0.224 177.401 177.584 0.069 0.000 1.076 35 A CA -0.123 51.953 52.037 0.065 0.000 0.773 35 A CB 0.047 19.084 19.000 0.063 0.000 1.010 35 A HN 0.660 nan 8.150 nan 0.000 0.493 36 L N 2.347 123.616 121.223 0.076 0.000 2.356 36 L HA 0.387 4.724 4.340 -0.005 0.000 0.277 36 L C -0.319 176.588 176.870 0.060 0.000 0.996 36 L CA -0.602 54.292 54.840 0.091 0.000 0.822 36 L CB 1.734 43.868 42.059 0.125 0.000 1.256 36 L HN 0.667 nan 8.230 nan 0.000 0.413 37 E N 3.443 123.674 120.200 0.051 0.000 2.089 37 E HA 0.235 4.582 4.350 -0.005 0.000 0.284 37 E C -0.662 175.947 176.600 0.016 0.000 1.023 37 E CA -0.463 55.954 56.400 0.028 0.000 0.819 37 E CB 2.416 32.128 29.700 0.020 0.000 1.076 37 E HN 0.216 nan 8.360 nan 0.000 0.396 38 V N 4.683 124.602 119.914 0.009 0.000 2.427 38 V HA 0.006 4.123 4.120 -0.005 0.000 0.268 38 V C 0.568 176.657 176.094 -0.008 0.000 1.046 38 V CA -0.444 61.852 62.300 -0.005 0.000 0.970 38 V CB 0.889 32.710 31.823 -0.004 0.000 1.001 38 V HN 0.474 nan 8.190 nan 0.000 0.476 39 Q N 2.599 122.389 119.800 -0.017 0.000 2.306 39 Q HA 0.430 4.767 4.340 -0.005 0.000 0.241 39 Q C 1.294 177.285 176.000 -0.015 0.000 0.948 39 Q CA 0.592 56.386 55.803 -0.015 0.000 0.886 39 Q CB 1.225 29.951 28.738 -0.020 0.000 1.227 39 Q HN 1.100 nan 8.270 nan 0.000 0.457 40 G N 1.383 110.176 108.800 -0.012 0.000 2.159 40 G HA2 -0.279 3.678 3.960 -0.005 0.000 0.256 40 G HA3 -0.279 3.678 3.960 -0.005 0.000 0.256 40 G C 0.297 175.192 174.900 -0.008 0.000 0.977 40 G CA 0.273 45.367 45.100 -0.011 0.000 0.652 40 G HN 0.432 nan 8.290 nan 0.000 0.531 41 R N -0.155 120.342 120.500 -0.006 0.000 2.546 41 R HA 0.400 4.737 4.340 -0.005 0.000 0.266 41 R C 1.341 177.640 176.300 -0.001 0.000 1.086 41 R CA -0.518 55.580 56.100 -0.003 0.000 1.160 41 R CB 0.452 30.751 30.300 -0.002 0.000 1.138 41 R HN 0.159 nan 8.270 nan 0.000 0.567 42 E N 0.534 120.734 120.200 0.000 0.000 2.017 42 E HA -0.119 4.228 4.350 -0.005 0.000 0.193 42 E C 1.128 177.730 176.600 0.003 0.000 0.997 42 E CA 1.926 58.327 56.400 0.002 0.000 0.804 42 E CB -0.020 29.681 29.700 0.002 0.000 0.757 42 E HN 0.707 nan 8.360 nan 0.000 0.448 43 T N -1.812 112.745 114.554 0.005 0.000 2.849 43 T HA 0.429 4.776 4.350 -0.005 0.000 0.272 43 T C 0.350 175.055 174.700 0.008 0.000 1.046 43 T CA -0.802 61.302 62.100 0.007 0.000 0.983 43 T CB 1.439 70.312 68.868 0.009 0.000 1.721 43 T HN -0.109 nan 8.240 nan 0.000 0.594 44 R N 0.016 120.522 120.500 0.011 0.000 2.349 44 R HA 0.606 4.943 4.340 -0.005 0.000 0.299 44 R C -1.520 174.789 176.300 0.015 0.000 1.027 44 R CA -0.783 55.324 56.100 0.013 0.000 0.958 44 R CB 0.603 30.912 30.300 0.016 0.000 1.047 44 R HN 0.546 nan 8.270 nan 0.000 0.468 45 L N 5.048 126.280 121.223 0.014 0.000 2.356 45 L HA 0.436 4.773 4.340 -0.005 0.000 0.277 45 L C -1.499 175.385 176.870 0.023 0.000 0.996 45 L CA -0.566 54.284 54.840 0.017 0.000 0.822 45 L CB 2.086 44.152 42.059 0.012 0.000 1.256 45 L HN 0.359 nan 8.230 nan 0.000 0.413 46 V N 6.241 126.172 119.914 0.028 0.000 2.459 46 V HA 0.516 4.633 4.120 -0.005 0.000 0.295 46 V C -0.270 175.848 176.094 0.040 0.000 1.029 46 V CA -0.543 61.780 62.300 0.037 0.000 0.874 46 V CB 1.756 33.604 31.823 0.042 0.000 0.985 46 V HN 0.598 nan 8.190 nan 0.000 0.438 47 L N 4.214 125.466 121.223 0.048 0.000 2.325 47 L HA 0.593 4.930 4.340 -0.005 0.000 0.281 47 L C 0.000 176.908 176.870 0.063 0.000 1.004 47 L CA -0.367 54.504 54.840 0.052 0.000 0.823 47 L CB 1.869 43.960 42.059 0.054 0.000 1.236 47 L HN 0.598 nan 8.230 nan 0.000 0.415 48 E N 2.574 122.811 120.200 0.061 0.000 2.146 48 E HA 0.277 4.624 4.350 -0.005 0.000 0.282 48 E C -0.851 175.784 176.600 0.058 0.000 0.989 48 E CA -0.726 55.714 56.400 0.066 0.000 0.799 48 E CB 1.881 31.630 29.700 0.081 0.000 1.088 48 E HN 0.316 nan 8.360 nan 0.000 0.397 49 V N 4.076 124.024 119.914 0.056 0.000 2.540 49 V HA -0.003 4.114 4.120 -0.005 0.000 0.297 49 V C 0.945 177.062 176.094 0.038 0.000 1.024 49 V CA 0.927 63.265 62.300 0.063 0.000 1.105 49 V CB 0.816 32.685 31.823 0.076 0.000 0.938 49 V HN 0.859 nan 8.190 nan 0.000 0.482 50 A N 4.212 127.061 122.820 0.048 0.000 2.026 50 A HA 0.343 4.660 4.320 -0.005 0.000 0.201 50 A C 0.742 178.341 177.584 0.025 0.000 1.318 50 A CA 0.197 52.247 52.037 0.022 0.000 0.857 50 A CB 0.388 19.401 19.000 0.022 0.000 0.939 50 A HN 0.743 nan 8.150 nan 0.000 0.476 51 Q N -1.212 118.633 119.800 0.075 0.000 2.501 51 Q HA 0.442 4.779 4.340 -0.005 0.000 0.288 51 Q C -1.622 174.530 176.000 0.254 0.000 1.051 51 Q CA -0.594 55.265 55.803 0.093 0.000 0.788 51 Q CB 2.038 30.812 28.738 0.060 0.000 1.469 51 Q HN 0.612 nan 8.270 nan 0.000 0.416 52 H N 1.586 120.650 119.070 -0.010 0.000 2.685 52 H HA 0.270 4.823 4.556 -0.005 0.000 0.307 52 H C 0.275 175.604 175.328 0.001 0.000 1.017 52 H CA -0.264 55.781 56.048 -0.006 0.000 1.237 52 H CB 0.966 30.717 29.762 -0.019 0.000 1.409 52 H HN 0.414 nan 8.280 nan 0.000 0.488 53 L N 2.794 124.071 121.223 0.089 0.000 2.610 53 L HA 0.137 4.474 4.340 -0.005 0.000 0.232 53 L C 1.256 178.150 176.870 0.040 0.000 1.149 53 L CA 0.465 55.337 54.840 0.053 0.000 0.872 53 L CB -0.223 41.857 42.059 0.034 0.000 0.992 53 L HN 0.881 nan 8.230 nan 0.000 0.447 54 G N 0.206 109.031 108.800 0.042 0.000 2.710 54 G HA2 -0.205 3.752 3.960 -0.005 0.000 0.668 54 G HA3 -0.205 3.752 3.960 -0.005 0.000 0.668 54 G C 0.045 174.952 174.900 0.011 0.000 1.320 54 G CA -0.411 44.706 45.100 0.028 0.000 0.860 54 G HN 0.323 nan 8.290 nan 0.000 0.538 55 E N -1.027 119.178 120.200 0.010 0.000 2.328 55 E HA -0.234 4.113 4.350 -0.005 0.000 0.233 55 E C 0.941 177.543 176.600 0.004 0.000 1.219 55 E CA 1.075 57.479 56.400 0.007 0.000 0.717 55 E CB -1.535 28.169 29.700 0.007 0.000 1.210 55 E HN 1.932 nan 8.360 nan 0.000 0.381 56 S N -1.626 114.071 115.700 -0.005 0.000 3.587 56 S HA -0.198 4.269 4.470 -0.005 0.000 0.337 56 S C 0.119 174.724 174.600 0.008 0.000 1.119 56 S CA 1.461 59.656 58.200 -0.008 0.000 0.976 56 S CB -0.938 62.276 63.200 0.023 0.000 0.922 56 S HN 0.464 nan 8.310 nan 0.000 0.503 57 T N 1.172 115.716 114.554 -0.018 0.000 2.888 57 T HA 0.677 5.024 4.350 -0.005 0.000 0.284 57 T C 0.275 174.949 174.700 -0.044 0.000 1.017 57 T CA -0.405 61.697 62.100 0.004 0.000 1.022 57 T CB 1.934 70.808 68.868 0.011 0.000 1.013 57 T HN 0.542 nan 8.240 nan 0.000 0.465 58 V N 0.559 120.478 119.914 0.009 0.000 2.769 58 V HA 0.773 4.890 4.120 -0.005 0.000 0.312 58 V C -0.449 175.682 176.094 0.060 0.000 1.061 58 V CA -1.470 60.837 62.300 0.010 0.000 0.931 58 V CB 1.773 33.595 31.823 -0.002 0.000 1.010 58 V HN 0.866 nan 8.190 nan 0.000 0.433 59 R N 2.441 122.984 120.500 0.071 0.000 2.265 59 R HA 0.683 5.020 4.340 -0.005 0.000 0.328 59 R C -0.181 176.155 176.300 0.060 0.000 0.969 59 R CA 0.213 56.347 56.100 0.057 0.000 0.832 59 R CB 1.162 31.491 30.300 0.047 0.000 1.139 59 R HN 1.118 nan 8.270 nan 0.000 0.457 60 T N 2.699 117.285 114.554 0.053 0.000 2.885 60 T HA 0.512 4.859 4.350 -0.005 0.000 0.285 60 T C 0.334 175.056 174.700 0.038 0.000 1.019 60 T CA -1.004 61.128 62.100 0.053 0.000 1.010 60 T CB 1.202 70.109 68.868 0.064 0.000 1.022 60 T HN 0.571 nan 8.240 nan 0.000 0.466 61 I N 0.279 120.871 120.570 0.037 0.000 2.355 61 I HA 0.776 4.943 4.170 -0.005 0.000 0.288 61 I C 0.335 176.470 176.117 0.030 0.000 0.999 61 I CA -1.365 59.952 61.300 0.028 0.000 1.163 61 I CB 0.955 38.968 38.000 0.023 0.000 1.316 61 I HN 0.833 nan 8.210 nan 0.000 0.454 62 A N 7.052 129.886 122.820 0.023 0.000 2.386 62 A HA 0.530 4.847 4.320 -0.005 0.000 0.248 62 A C 0.803 178.400 177.584 0.022 0.000 1.082 62 A CA -0.404 51.647 52.037 0.023 0.000 0.789 62 A CB 0.534 19.544 19.000 0.017 0.000 1.025 62 A HN 0.878 nan 8.150 nan 0.000 0.490 63 M N 0.264 119.879 119.600 0.025 0.000 2.333 63 M HA 0.262 4.739 4.480 -0.005 0.000 0.257 63 M C -0.324 175.988 176.300 0.020 0.000 1.078 63 M CA 0.236 55.551 55.300 0.024 0.000 1.005 63 M CB -0.827 31.791 32.600 0.031 0.000 1.444 63 M HN 0.745 nan 8.290 nan 0.000 0.496 64 D N -0.516 119.894 120.400 0.017 0.000 2.596 64 D HA 0.509 5.146 4.640 -0.005 0.000 0.262 64 D C -0.494 175.812 176.300 0.010 0.000 1.210 64 D CA -0.154 53.854 54.000 0.013 0.000 0.873 64 D CB 1.611 42.420 40.800 0.015 0.000 1.408 64 D HN 0.113 nan 8.370 nan 0.000 0.441 65 G N -0.251 108.553 108.800 0.007 0.000 2.178 65 G HA2 0.274 4.231 3.960 -0.005 0.000 0.244 65 G HA3 0.274 4.231 3.960 -0.005 0.000 0.244 65 G C 0.748 175.650 174.900 0.004 0.000 1.213 65 G CA 0.598 45.701 45.100 0.005 0.000 0.912 65 G HN 0.413 nan 8.290 nan 0.000 0.474 66 T N -0.536 114.019 114.554 0.003 0.000 3.264 66 T HA 0.237 4.584 4.350 -0.005 0.000 0.257 66 T C 0.505 175.205 174.700 -0.001 0.000 0.976 66 T CA -0.397 61.704 62.100 0.001 0.000 0.908 66 T CB 0.002 68.871 68.868 0.002 0.000 1.082 66 T HN 0.634 nan 8.240 nan 0.000 0.567 67 E N 0.882 121.082 120.200 -0.001 0.000 2.313 67 E HA 0.451 4.798 4.350 -0.005 0.000 0.272 67 E C 0.948 177.546 176.600 -0.003 0.000 1.038 67 E CA -0.237 56.161 56.400 -0.002 0.000 0.863 67 E CB 0.755 30.455 29.700 -0.001 0.000 1.060 67 E HN 0.391 nan 8.360 nan 0.000 0.402 68 G N 2.139 110.937 108.800 -0.004 0.000 2.143 68 G HA2 -0.252 3.705 3.960 -0.005 0.000 0.249 68 G HA3 -0.252 3.705 3.960 -0.005 0.000 0.249 68 G C 0.028 174.923 174.900 -0.007 0.000 0.981 68 G CA 0.301 45.398 45.100 -0.005 0.000 0.665 68 G HN 0.443 nan 8.290 nan 0.000 0.528 69 L N 0.826 122.045 121.223 -0.008 0.000 2.331 69 L HA 0.524 4.861 4.340 -0.005 0.000 0.278 69 L C 0.604 177.466 176.870 -0.013 0.000 1.106 69 L CA -0.820 54.014 54.840 -0.011 0.000 0.824 69 L CB 1.493 43.546 42.059 -0.010 0.000 1.142 69 L HN -0.036 nan 8.230 nan 0.000 0.443 70 V N 3.933 123.837 119.914 -0.017 0.000 2.435 70 V HA 0.330 4.447 4.120 -0.005 0.000 0.290 70 V C 0.352 176.432 176.094 -0.024 0.000 1.030 70 V CA -0.871 61.418 62.300 -0.019 0.000 0.881 70 V CB 1.520 33.332 31.823 -0.019 0.000 0.983 70 V HN 0.673 nan 8.190 nan 0.000 0.445 71 R N 3.028 123.515 120.500 -0.023 0.000 2.446 71 R HA 0.402 4.739 4.340 -0.005 0.000 0.314 71 R C 1.240 177.520 176.300 -0.033 0.000 1.003 71 R CA 0.954 57.037 56.100 -0.027 0.000 1.018 71 R CB 0.020 30.307 30.300 -0.022 0.000 0.945 71 R HN 1.179 nan 8.270 nan 0.000 0.419 72 G N 2.076 110.849 108.800 -0.045 0.000 2.231 72 G HA2 -0.261 3.696 3.960 -0.005 0.000 0.206 72 G HA3 -0.261 3.696 3.960 -0.005 0.000 0.206 72 G C 0.187 175.051 174.900 -0.061 0.000 0.996 72 G CA -0.528 44.541 45.100 -0.053 0.000 0.645 72 G HN 0.568 nan 8.290 nan 0.000 0.498 73 Q N 1.291 121.058 119.800 -0.054 0.000 2.304 73 Q HA 0.282 4.619 4.340 -0.005 0.000 0.301 73 Q C 0.274 176.228 176.000 -0.077 0.000 1.063 73 Q CA 0.489 56.260 55.803 -0.054 0.000 0.947 73 Q CB 0.304 29.017 28.738 -0.042 0.000 1.201 73 Q HN 0.362 nan 8.270 nan 0.000 0.389 74 K N 2.454 122.810 120.400 -0.073 0.000 2.339 74 K HA 0.199 4.516 4.320 -0.005 0.000 0.286 74 K C -1.003 175.541 176.600 -0.094 0.000 1.050 74 K CA -0.245 55.985 56.287 -0.096 0.000 0.956 74 K CB 0.797 33.253 32.500 -0.073 0.000 0.990 74 K HN 0.324 nan 8.250 nan 0.000 0.475 75 V N 4.970 124.797 119.914 -0.144 0.000 2.495 75 V HA 0.359 4.476 4.120 -0.005 0.000 0.298 75 V C -0.102 175.943 176.094 -0.082 0.000 1.031 75 V CA -0.994 61.241 62.300 -0.108 0.000 0.871 75 V CB 1.465 33.214 31.823 -0.124 0.000 0.988 75 V HN 0.594 nan 8.190 nan 0.000 0.432 76 L N 3.257 124.485 121.223 0.009 0.000 2.282 76 L HA 0.484 4.821 4.340 -0.005 0.000 0.288 76 L C -0.137 176.818 176.870 0.142 0.000 1.033 76 L CA -0.473 54.408 54.840 0.068 0.000 0.807 76 L CB 1.543 43.624 42.059 0.037 0.000 1.209 76 L HN 0.640 nan 8.230 nan 0.000 0.423 77 D N 1.401 121.945 120.400 0.240 0.000 2.390 77 D HA 0.011 4.648 4.640 -0.005 0.000 0.249 77 D C 1.010 177.359 176.300 0.081 0.000 1.144 77 D CA -0.071 54.034 54.000 0.175 0.000 0.880 77 D CB 1.417 42.292 40.800 0.126 0.000 1.182 77 D HN 0.522 nan 8.370 nan 0.000 0.451 78 S N 2.262 117.993 115.700 0.051 0.000 2.593 78 S HA 0.213 4.680 4.470 -0.005 0.000 0.217 78 S C 1.737 176.343 174.600 0.010 0.000 0.966 78 S CA 0.282 58.496 58.200 0.024 0.000 0.914 78 S CB -0.171 63.041 63.200 0.019 0.000 0.776 78 S HN 0.885 nan 8.310 nan 0.000 0.523 79 G N 0.463 109.267 108.800 0.006 0.000 2.189 79 G HA2 -0.087 3.870 3.960 -0.005 0.000 0.267 79 G HA3 -0.087 3.870 3.960 -0.005 0.000 0.267 79 G C 0.215 175.112 174.900 -0.004 0.000 0.975 79 G CA 0.154 45.250 45.100 -0.007 0.000 0.644 79 G HN 1.562 nan 8.290 nan 0.000 0.537 80 A N -0.910 121.914 122.820 0.007 0.000 2.594 80 A HA 0.908 5.225 4.320 -0.005 0.000 0.291 80 A C -2.668 174.937 177.584 0.035 0.000 1.105 80 A CA -0.804 51.244 52.037 0.018 0.000 0.694 80 A CB 1.231 20.244 19.000 0.022 0.000 1.291 80 A HN 0.052 nan 8.150 nan 0.000 0.410 81 P HA 0.177 nan 4.420 nan 0.000 0.281 81 P C -0.396 176.964 177.300 0.100 0.000 1.274 81 P CA -0.136 63.022 63.100 0.096 0.000 0.794 81 P CB 0.184 31.976 31.700 0.152 0.000 1.201 82 I N 0.519 121.166 120.570 0.128 0.000 2.576 82 I HA 0.002 4.170 4.170 -0.005 0.000 0.288 82 I C 1.170 177.339 176.117 0.086 0.000 1.126 82 I CA 0.605 61.961 61.300 0.094 0.000 1.362 82 I CB -0.496 37.553 38.000 0.083 0.000 1.419 82 I HN 0.069 nan 8.210 nan 0.000 0.533 83 R N 6.710 127.267 120.500 0.096 0.000 2.297 83 R HA 0.633 4.970 4.340 -0.005 0.000 0.308 83 R C -0.621 175.796 176.300 0.195 0.000 1.029 83 R CA -0.684 55.499 56.100 0.137 0.000 0.929 83 R CB 1.273 31.658 30.300 0.142 0.000 1.046 83 R HN 0.551 nan 8.270 nan 0.000 0.461 84 I N 0.083 120.748 120.570 0.159 0.000 2.689 84 I HA 0.520 4.687 4.170 -0.005 0.000 0.299 84 I C -2.663 173.373 176.117 -0.135 0.000 1.059 84 I CA -3.416 57.927 61.300 0.073 0.000 1.055 84 I CB 1.770 39.769 38.000 -0.002 0.000 1.243 84 I HN 0.337 nan 8.210 nan 0.000 0.425 85 P HA 0.152 nan 4.420 nan 0.000 0.261 85 P C -0.796 176.222 177.300 -0.470 0.000 1.183 85 P CA 0.049 62.706 63.100 -0.739 0.000 0.761 85 P CB 0.433 31.807 31.700 -0.543 0.000 0.785 86 V N 1.103 120.689 119.914 -0.547 0.000 2.876 86 V HA 1.028 5.145 4.120 -0.005 0.000 0.312 86 V C 0.012 175.533 176.094 -0.956 0.000 1.085 86 V CA -0.523 61.402 62.300 -0.624 0.000 0.945 86 V CB 1.627 33.155 31.823 -0.491 0.000 1.017 86 V HN 0.875 nan 8.190 nan 0.000 0.428 87 G N 3.107 111.128 108.800 -1.299 0.000 2.335 87 G HA2 0.234 4.191 3.960 -0.005 0.000 0.592 87 G HA3 0.234 4.191 3.960 -0.005 0.000 0.592 87 G C -2.370 172.347 174.900 -0.305 0.000 1.442 87 G CA -0.044 44.385 45.100 -1.117 0.000 0.976 87 G HN 0.620 nan 8.290 nan 0.000 0.652 88 P HA -0.157 nan 4.420 nan 0.000 0.218 88 P C 1.245 178.563 177.300 0.031 0.000 1.147 88 P CA 1.907 65.150 63.100 0.237 0.000 0.827 88 P CB 0.052 31.883 31.700 0.219 0.000 0.778 89 E N -0.187 119.991 120.200 -0.037 0.000 2.416 89 E HA -0.001 4.346 4.350 -0.005 0.000 0.189 89 E C 0.615 177.164 176.600 -0.085 0.000 1.091 89 E CA 0.669 57.031 56.400 -0.064 0.000 0.889 89 E CB -1.037 28.626 29.700 -0.062 0.000 1.015 89 E HN 0.317 nan 8.360 nan 0.000 0.479 90 T N -1.725 112.786 114.554 -0.072 0.000 3.069 90 T HA 0.245 4.592 4.350 -0.005 0.000 0.252 90 T C 0.897 175.562 174.700 -0.058 0.000 1.053 90 T CA -0.370 61.686 62.100 -0.073 0.000 0.964 90 T CB -0.116 68.707 68.868 -0.075 0.000 1.005 90 T HN 0.043 nan 8.240 nan 0.000 0.532 91 L N 1.756 122.925 121.223 -0.090 0.000 2.331 91 L HA 0.571 4.908 4.340 -0.005 0.000 0.278 91 L C 1.486 178.288 176.870 -0.114 0.000 1.106 91 L CA 0.275 55.021 54.840 -0.156 0.000 0.824 91 L CB 0.515 42.374 42.059 -0.333 0.000 1.142 91 L HN 0.465 nan 8.230 nan 0.000 0.443 92 G N 1.808 110.555 108.800 -0.088 0.000 2.143 92 G HA2 -0.208 3.749 3.960 -0.005 0.000 0.248 92 G HA3 -0.208 3.749 3.960 -0.005 0.000 0.248 92 G C 0.087 174.974 174.900 -0.022 0.000 0.991 92 G CA -0.365 44.711 45.100 -0.040 0.000 0.689 92 G HN 0.456 nan 8.290 nan 0.000 0.522 93 R N -0.333 120.125 120.500 -0.070 0.000 2.599 93 R HA 0.606 4.943 4.340 -0.005 0.000 0.295 93 R C 0.234 176.421 176.300 -0.188 0.000 0.963 93 R CA -1.164 54.872 56.100 -0.107 0.000 0.883 93 R CB 1.116 31.359 30.300 -0.095 0.000 1.171 93 R HN 0.263 nan 8.270 nan 0.000 0.450 94 I N 3.452 123.848 120.570 -0.289 0.000 2.312 94 I HA 0.290 4.457 4.170 -0.005 0.000 0.291 94 I C 0.708 176.678 176.117 -0.245 0.000 1.031 94 I CA -0.044 61.013 61.300 -0.405 0.000 1.293 94 I CB 0.822 38.453 38.000 -0.617 0.000 1.403 94 I HN 0.296 nan 8.210 nan 0.000 0.484 95 M N 6.933 126.418 119.600 -0.193 0.000 2.598 95 M HA 0.397 4.874 4.480 -0.005 0.000 0.317 95 M C -0.585 175.687 176.300 -0.047 0.000 1.201 95 M CA -0.535 54.706 55.300 -0.097 0.000 0.971 95 M CB 1.605 34.161 32.600 -0.073 0.000 1.657 95 M HN 0.673 nan 8.290 nan 0.000 0.470 96 N N 1.139 119.833 118.700 -0.009 0.000 2.592 96 N HA 0.198 4.935 4.740 -0.005 0.000 0.292 96 N C 0.122 175.648 175.510 0.027 0.000 1.260 96 N CA -0.875 52.192 53.050 0.029 0.000 0.910 96 N CB 0.590 39.098 38.487 0.036 0.000 1.257 96 N HN 0.461 nan 8.380 nan 0.000 0.569 97 V N -0.264 119.672 119.914 0.037 0.000 2.660 97 V HA -0.131 3.986 4.120 -0.005 0.000 0.257 97 V C 1.411 177.521 176.094 0.027 0.000 1.088 97 V CA 1.911 64.229 62.300 0.030 0.000 1.106 97 V CB -0.895 30.948 31.823 0.034 0.000 0.686 97 V HN 0.670 nan 8.190 nan 0.000 0.481 98 I N -3.322 117.268 120.570 0.032 0.000 3.941 98 I HA 0.588 4.755 4.170 -0.005 0.000 0.335 98 I C 1.367 177.515 176.117 0.052 0.000 1.402 98 I CA 0.576 61.901 61.300 0.042 0.000 1.112 98 I CB 0.116 38.142 38.000 0.043 0.000 1.043 98 I HN 0.239 nan 8.210 nan 0.000 0.395 99 G N 1.161 109.981 108.800 0.034 0.000 2.284 99 G HA2 -0.255 3.702 3.960 -0.005 0.000 0.230 99 G HA3 -0.255 3.702 3.960 -0.005 0.000 0.230 99 G C 0.091 175.003 174.900 0.019 0.000 1.021 99 G CA -0.039 45.078 45.100 0.029 0.000 0.619 99 G HN 0.570 nan 8.290 nan 0.000 0.510 100 E N 2.921 123.138 120.200 0.029 0.000 2.529 100 E HA 0.238 4.585 4.350 -0.005 0.000 0.259 100 E C -2.139 174.456 176.600 -0.009 0.000 0.966 100 E CA -0.634 55.778 56.400 0.020 0.000 0.937 100 E CB 0.688 30.401 29.700 0.021 0.000 0.923 100 E HN 0.284 nan 8.360 nan 0.000 0.468 101 P HA 0.017 nan 4.420 nan 0.000 0.276 101 P C 0.013 177.286 177.300 -0.045 0.000 1.253 101 P CA 0.363 63.436 63.100 -0.044 0.000 0.766 101 P CB 0.092 31.770 31.700 -0.037 0.000 0.845 102 I N 0.228 120.755 120.570 -0.071 0.000 3.856 102 I HA 0.247 4.414 4.170 -0.005 0.000 0.333 102 I C 0.041 176.096 176.117 -0.103 0.000 1.525 102 I CA -0.281 60.982 61.300 -0.061 0.000 1.173 102 I CB -0.300 37.682 38.000 -0.029 0.000 1.175 102 I HN 0.031 nan 8.210 nan 0.000 0.424 103 D N 0.018 120.343 120.400 -0.124 0.000 2.440 103 D HA 0.026 4.663 4.640 -0.005 0.000 0.216 103 D C 0.494 176.767 176.300 -0.044 0.000 1.150 103 D CA -0.291 53.624 54.000 -0.141 0.000 0.832 103 D CB -0.151 40.516 40.800 -0.222 0.000 0.992 103 D HN 0.429 nan 8.370 nan 0.000 0.502 104 E N -0.212 119.971 120.200 -0.027 0.000 2.660 104 E HA -0.280 4.067 4.350 -0.005 0.000 0.260 104 E C 0.273 176.876 176.600 0.005 0.000 1.122 104 E CA 0.336 56.734 56.400 -0.003 0.000 0.755 104 E CB -1.100 28.607 29.700 0.011 0.000 1.345 104 E HN 0.392 nan 8.360 nan 0.000 0.421 105 R N 0.199 120.697 120.500 -0.003 0.000 2.694 105 R HA 0.267 4.604 4.340 -0.005 0.000 0.334 105 R C 0.510 176.809 176.300 -0.001 0.000 1.143 105 R CA 0.439 56.541 56.100 0.004 0.000 1.073 105 R CB 0.844 31.150 30.300 0.009 0.000 1.366 105 R HN 0.277 nan 8.270 nan 0.000 0.577 106 G N 2.141 110.941 108.800 -0.001 0.000 2.728 106 G HA2 -0.188 3.769 3.960 -0.005 0.000 0.686 106 G HA3 -0.188 3.769 3.960 -0.005 0.000 0.686 106 G C -2.646 172.252 174.900 -0.003 0.000 1.337 106 G CA -1.299 43.802 45.100 0.001 0.000 0.861 106 G HN 0.044 nan 8.290 nan 0.000 0.597 107 P HA 0.304 nan 4.420 nan 0.000 0.268 107 P C 0.589 177.890 177.300 0.002 0.000 1.204 107 P CA -0.222 62.885 63.100 0.012 0.000 0.768 107 P CB 0.389 32.106 31.700 0.029 0.000 0.842 108 I N 3.367 123.929 120.570 -0.013 0.000 2.576 108 I HA -0.013 4.154 4.170 -0.005 0.000 0.288 108 I C 0.978 177.066 176.117 -0.048 0.000 1.126 108 I CA 0.385 61.654 61.300 -0.052 0.000 1.362 108 I CB -0.292 37.648 38.000 -0.099 0.000 1.419 108 I HN 0.116 nan 8.210 nan 0.000 0.533 109 K N 6.052 126.431 120.400 -0.036 0.000 2.187 109 K HA 0.162 4.479 4.320 -0.005 0.000 0.242 109 K C 0.070 176.635 176.600 -0.059 0.000 1.179 109 K CA -0.262 56.017 56.287 -0.013 0.000 1.097 109 K CB -0.087 32.416 32.500 0.004 0.000 1.634 109 K HN 0.615 nan 8.250 nan 0.000 0.335 110 T N -1.666 112.805 114.554 -0.139 0.000 2.907 110 T HA 0.260 4.607 4.350 -0.005 0.000 0.284 110 T C 0.980 175.616 174.700 -0.107 0.000 1.004 110 T CA -0.994 60.982 62.100 -0.207 0.000 1.063 110 T CB 1.930 70.548 68.868 -0.417 0.000 0.992 110 T HN 0.153 nan 8.240 nan 0.000 0.483 111 K N 0.711 121.071 120.400 -0.067 0.000 2.057 111 K HA -0.006 4.311 4.320 -0.005 0.000 0.206 111 K C 0.531 177.172 176.600 0.069 0.000 1.050 111 K CA 1.173 57.475 56.287 0.024 0.000 0.935 111 K CB -0.049 32.466 32.500 0.026 0.000 0.715 111 K HN 0.588 nan 8.250 nan 0.000 0.439 112 Q N -0.528 119.253 119.800 -0.032 0.000 2.235 112 Q HA 0.455 4.792 4.340 -0.005 0.000 0.256 112 Q C -1.054 174.891 176.000 -0.091 0.000 0.951 112 Q CA -0.285 55.534 55.803 0.026 0.000 0.890 112 Q CB 1.259 30.011 28.738 0.024 0.000 1.279 112 Q HN -0.015 nan 8.270 nan 0.000 0.444 113 F N 0.617 120.544 119.950 -0.038 0.000 2.507 113 F HA 0.776 5.300 4.527 -0.005 0.000 0.325 113 F C -0.187 175.601 175.800 -0.020 0.000 1.116 113 F CA -0.960 57.017 58.000 -0.039 0.000 0.930 113 F CB 1.810 40.795 39.000 -0.025 0.000 1.146 113 F HN 0.585 nan 8.300 nan 0.000 0.447 114 A N 2.129 125.007 122.820 0.098 0.000 2.365 114 A HA 0.853 5.170 4.320 -0.005 0.000 0.318 114 A C -0.822 176.805 177.584 0.072 0.000 1.091 114 A CA -0.774 51.307 52.037 0.073 0.000 0.763 114 A CB 1.014 20.035 19.000 0.036 0.000 1.248 114 A HN 0.899 nan 8.150 nan 0.000 0.442 115 A N 1.377 124.241 122.820 0.073 0.000 2.440 115 A HA 0.458 4.775 4.320 -0.005 0.000 0.251 115 A C 1.141 178.751 177.584 0.044 0.000 1.089 115 A CA 0.121 52.202 52.037 0.074 0.000 0.779 115 A CB -0.398 18.656 19.000 0.091 0.000 1.022 115 A HN 1.553 nan 8.150 nan 0.000 0.492 116 I N -0.484 120.092 120.570 0.009 0.000 2.614 116 I HA -0.041 4.126 4.170 -0.005 0.000 0.258 116 I C 0.474 176.490 176.117 -0.168 0.000 1.189 116 I CA 0.635 61.881 61.300 -0.090 0.000 1.462 116 I CB -0.450 37.464 38.000 -0.144 0.000 1.092 116 I HN 0.512 nan 8.210 nan 0.000 0.442 117 H N 2.306 121.389 119.070 0.022 0.000 2.481 117 H HA 0.796 5.349 4.556 -0.005 0.000 0.339 117 H C -0.373 174.963 175.328 0.014 0.000 1.131 117 H CA -0.017 56.041 56.048 0.018 0.000 1.301 117 H CB 1.700 31.473 29.762 0.017 0.000 1.476 117 H HN 0.406 nan 8.280 nan 0.000 0.529 118 A N 2.672 125.573 122.820 0.135 0.000 2.585 118 A HA 0.171 4.488 4.320 -0.005 0.000 0.299 118 A C -0.611 177.008 177.584 0.059 0.000 1.047 118 A CA -0.914 51.169 52.037 0.077 0.000 0.723 118 A CB 1.156 20.184 19.000 0.047 0.000 1.275 118 A HN 0.603 nan 8.150 nan 0.000 0.408 119 E N 0.927 121.153 120.200 0.044 0.000 2.418 119 E HA 0.360 4.707 4.350 -0.005 0.000 0.261 119 E C 0.874 177.492 176.600 0.029 0.000 1.070 119 E CA 0.631 57.053 56.400 0.036 0.000 0.931 119 E CB 0.937 30.654 29.700 0.029 0.000 0.954 119 E HN 0.966 nan 8.360 nan 0.000 0.439 120 A N 4.073 126.911 122.820 0.030 0.000 2.466 120 A HA 0.227 4.544 4.320 -0.005 0.000 0.238 120 A C -1.977 175.621 177.584 0.023 0.000 1.074 120 A CA -0.967 51.085 52.037 0.024 0.000 0.774 120 A CB -0.555 18.464 19.000 0.032 0.000 1.015 120 A HN 0.316 nan 8.150 nan 0.000 0.498 121 P HA 0.045 nan 4.420 nan 0.000 0.262 121 P C -0.063 177.252 177.300 0.025 0.000 1.182 121 P CA 0.275 63.380 63.100 0.007 0.000 0.761 121 P CB 0.358 32.051 31.700 -0.012 0.000 0.795 122 E N 1.982 122.201 120.200 0.032 0.000 2.447 122 E HA -0.084 4.263 4.350 -0.005 0.000 0.259 122 E C 0.781 177.435 176.600 0.090 0.000 1.196 122 E CA 0.006 56.448 56.400 0.069 0.000 0.995 122 E CB 0.155 29.891 29.700 0.061 0.000 0.974 122 E HN 0.410 nan 8.360 nan 0.000 0.465 123 F N 1.449 121.397 119.950 -0.002 0.000 2.216 123 F HA -0.207 4.317 4.527 -0.005 0.000 0.300 123 F C 1.953 177.750 175.800 -0.005 0.000 1.085 123 F CA 1.482 59.480 58.000 -0.003 0.000 1.326 123 F CB -0.023 38.975 39.000 -0.003 0.000 1.027 123 F HN 0.272 nan 8.300 nan 0.000 0.497 124 V N -2.465 117.501 119.914 0.088 0.000 2.548 124 V HA -0.152 3.965 4.120 -0.005 0.000 0.249 124 V C 1.633 177.691 176.094 -0.061 0.000 1.055 124 V CA 1.840 64.147 62.300 0.011 0.000 1.065 124 V CB -0.970 30.888 31.823 0.059 0.000 0.681 124 V HN 0.307 nan 8.190 nan 0.000 0.462 125 E N -0.017 120.152 120.200 -0.053 0.000 2.489 125 E HA 0.155 4.502 4.350 -0.005 0.000 0.193 125 E C 0.637 177.182 176.600 -0.092 0.000 1.057 125 E CA -0.254 56.111 56.400 -0.058 0.000 0.866 125 E CB 0.041 29.722 29.700 -0.032 0.000 0.916 125 E HN 0.449 nan 8.360 nan 0.000 0.500 126 M N 0.444 119.950 119.600 -0.157 0.000 2.232 126 M HA 0.058 4.535 4.480 -0.005 0.000 0.321 126 M C 0.501 176.706 176.300 -0.158 0.000 1.101 126 M CA 0.174 55.365 55.300 -0.182 0.000 1.181 126 M CB 1.018 33.433 32.600 -0.308 0.000 1.432 126 M HN -0.194 nan 8.290 nan 0.000 0.457 127 S N 1.108 116.734 115.700 -0.124 0.000 2.422 127 S HA 0.359 4.826 4.470 -0.005 0.000 0.298 127 S C 0.974 175.511 174.600 -0.106 0.000 1.118 127 S CA -0.878 57.262 58.200 -0.100 0.000 1.083 127 S CB 0.268 63.425 63.200 -0.072 0.000 0.971 127 S HN 0.506 nan 8.310 nan 0.000 0.478 128 V N 1.979 121.831 119.914 -0.103 0.000 3.510 128 V HA 0.273 4.390 4.120 -0.005 0.000 0.270 128 V C 0.437 176.496 176.094 -0.059 0.000 1.201 128 V CA 0.329 62.576 62.300 -0.089 0.000 1.166 128 V CB -0.707 31.066 31.823 -0.082 0.000 0.825 128 V HN 0.670 nan 8.190 nan 0.000 0.484 129 E N 1.353 121.522 120.200 -0.053 0.000 2.197 129 E HA 0.432 4.779 4.350 -0.005 0.000 0.281 129 E C -0.738 175.839 176.600 -0.038 0.000 0.995 129 E CA -0.171 56.206 56.400 -0.039 0.000 0.808 129 E CB 1.717 31.398 29.700 -0.032 0.000 1.093 129 E HN 0.546 nan 8.360 nan 0.000 0.394 130 Q N 2.128 121.909 119.800 -0.032 0.000 2.400 130 Q HA 0.243 4.580 4.340 -0.005 0.000 0.255 130 Q C -0.447 175.539 176.000 -0.024 0.000 1.008 130 Q CA -0.134 55.651 55.803 -0.030 0.000 0.841 130 Q CB 1.306 30.026 28.738 -0.030 0.000 1.220 130 Q HN 0.400 nan 8.270 nan 0.000 0.474 131 E N 2.001 122.187 120.200 -0.023 0.000 2.299 131 E HA 0.482 4.829 4.350 -0.005 0.000 0.260 131 E C -0.935 175.659 176.600 -0.011 0.000 0.944 131 E CA -0.956 55.435 56.400 -0.014 0.000 0.815 131 E CB 2.491 32.184 29.700 -0.012 0.000 1.252 131 E HN 0.466 nan 8.360 nan 0.000 0.418 132 I N 2.212 122.784 120.570 0.003 0.000 2.354 132 I HA 0.193 4.360 4.170 -0.005 0.000 0.292 132 I C -1.112 175.012 176.117 0.011 0.000 0.989 132 I CA -0.896 60.413 61.300 0.016 0.000 1.188 132 I CB 0.688 38.705 38.000 0.028 0.000 1.342 132 I HN 0.344 nan 8.210 nan 0.000 0.457 133 L N 9.291 130.509 121.223 -0.008 0.000 2.363 133 L HA 0.281 4.618 4.340 -0.005 0.000 0.286 133 L C -0.593 176.277 176.870 -0.000 0.000 1.106 133 L CA -0.034 54.751 54.840 -0.093 0.000 0.859 133 L CB 0.746 42.741 42.059 -0.106 0.000 1.223 133 L HN 0.393 nan 8.230 nan 0.000 0.446 134 V N 4.788 124.772 119.914 0.116 0.000 2.446 134 V HA 0.074 4.191 4.120 -0.005 0.000 0.276 134 V C 1.521 177.729 176.094 0.190 0.000 1.030 134 V CA 0.618 63.023 62.300 0.174 0.000 1.033 134 V CB 0.409 32.352 31.823 0.200 0.000 0.993 134 V HN 0.944 nan 8.190 nan 0.000 0.477 135 T N 0.608 115.183 114.554 0.035 0.000 3.067 135 T HA 0.241 4.588 4.350 -0.005 0.000 0.257 135 T C 1.613 176.325 174.700 0.020 0.000 1.105 135 T CA 0.790 62.879 62.100 -0.018 0.000 1.104 135 T CB 0.361 69.108 68.868 -0.202 0.000 0.925 135 T HN 1.360 nan 8.240 nan 0.000 0.498 136 G N 1.745 110.565 108.800 0.034 0.000 2.320 136 G HA2 -0.232 3.725 3.960 -0.005 0.000 0.242 136 G HA3 -0.232 3.725 3.960 -0.005 0.000 0.242 136 G C 0.073 175.005 174.900 0.052 0.000 1.033 136 G CA 0.032 45.157 45.100 0.041 0.000 0.620 136 G HN 0.665 nan 8.290 nan 0.000 0.517 137 I N 1.559 122.161 120.570 0.053 0.000 2.496 137 I HA 0.259 4.426 4.170 -0.005 0.000 0.285 137 I C 1.623 177.760 176.117 0.033 0.000 1.080 137 I CA -0.282 61.074 61.300 0.093 0.000 1.404 137 I CB 1.211 39.297 38.000 0.143 0.000 1.403 137 I HN 0.056 nan 8.210 nan 0.000 0.539 138 K N 3.806 124.218 120.400 0.021 0.000 2.001 138 K HA -0.102 4.215 4.320 -0.005 0.000 0.208 138 K C 1.784 178.380 176.600 -0.008 0.000 1.048 138 K CA 1.137 57.434 56.287 0.018 0.000 0.932 138 K CB -0.152 32.352 32.500 0.006 0.000 0.715 138 K HN 0.521 nan 8.250 nan 0.000 0.437 139 V N 1.337 121.250 119.914 -0.002 0.000 2.324 139 V HA -0.262 3.855 4.120 -0.005 0.000 0.250 139 V C 2.325 178.409 176.094 -0.016 0.000 1.060 139 V CA 1.673 63.960 62.300 -0.022 0.000 1.042 139 V CB -0.707 31.129 31.823 0.022 0.000 0.650 139 V HN 0.077 nan 8.190 nan 0.000 0.450 140 V N 0.403 120.313 119.914 -0.008 0.000 2.223 140 V HA -0.245 3.872 4.120 -0.005 0.000 0.244 140 V C 2.335 178.423 176.094 -0.011 0.000 1.045 140 V CA 2.361 64.639 62.300 -0.036 0.000 1.000 140 V CB -0.799 30.907 31.823 -0.194 0.000 0.635 140 V HN 0.517 nan 8.190 nan 0.000 0.445 141 D N -0.307 120.086 120.400 -0.012 0.000 2.178 141 D HA -0.135 4.502 4.640 -0.005 0.000 0.201 141 D C 1.906 178.308 176.300 0.170 0.000 0.980 141 D CA 1.167 55.206 54.000 0.065 0.000 0.842 141 D CB -0.030 40.808 40.800 0.064 0.000 0.948 141 D HN 0.338 nan 8.370 nan 0.000 0.472 142 L N -0.093 121.168 121.223 0.064 0.000 2.084 142 L HA 0.029 4.366 4.340 -0.005 0.000 0.202 142 L C 2.106 179.032 176.870 0.093 0.000 1.074 142 L CA 1.191 56.060 54.840 0.048 0.000 0.757 142 L CB -0.205 41.698 42.059 -0.261 0.000 0.918 142 L HN -0.075 nan 8.230 nan 0.000 0.444 143 L N -0.831 120.384 121.223 -0.012 0.000 2.200 143 L HA 0.260 4.597 4.340 -0.005 0.000 0.200 143 L C 1.028 177.923 176.870 0.041 0.000 1.072 143 L CA 0.593 55.426 54.840 -0.012 0.000 0.787 143 L CB -0.346 41.677 42.059 -0.059 0.000 0.957 143 L HN 0.214 nan 8.230 nan 0.000 0.459 144 A N 0.965 123.826 122.820 0.069 0.000 3.064 144 A HA 0.450 4.767 4.320 -0.005 0.000 0.339 144 A C -2.503 175.184 177.584 0.171 0.000 1.078 144 A CA -1.267 50.840 52.037 0.118 0.000 0.869 144 A CB -0.424 18.664 19.000 0.147 0.000 1.067 144 A HN -0.084 nan 8.150 nan 0.000 0.480 145 P HA 0.095 nan 4.420 nan 0.000 0.271 145 P C -0.925 176.531 177.300 0.259 0.000 1.216 145 P CA 0.264 63.448 63.100 0.140 0.000 0.771 145 P CB 0.500 32.217 31.700 0.030 0.000 0.864 146 Y N 1.213 121.512 120.300 -0.001 0.000 2.377 146 Y HA 0.318 4.865 4.550 -0.005 0.000 0.330 146 Y C 1.179 177.055 175.900 -0.040 0.000 1.108 146 Y CA -1.130 56.956 58.100 -0.023 0.000 1.308 146 Y CB 0.066 38.506 38.460 -0.033 0.000 1.216 146 Y HN 0.389 nan 8.280 nan 0.000 0.518 147 A N 4.816 127.671 122.820 0.058 0.000 2.320 147 A HA 0.257 4.574 4.320 -0.005 0.000 0.287 147 A C 0.319 177.892 177.584 -0.019 0.000 1.181 147 A CA -0.888 51.152 52.037 0.005 0.000 0.831 147 A CB -0.018 18.968 19.000 -0.024 0.000 1.102 147 A HN 0.732 nan 8.150 nan 0.000 0.513 148 K N 2.371 122.754 120.400 -0.028 0.000 2.395 148 K HA 0.288 4.605 4.320 -0.005 0.000 0.283 148 K C 1.008 177.571 176.600 -0.062 0.000 1.068 148 K CA 1.122 57.374 56.287 -0.058 0.000 1.039 148 K CB -0.316 32.142 32.500 -0.071 0.000 0.924 148 K HN 1.600 nan 8.250 nan 0.000 0.468 149 G N 2.776 111.532 108.800 -0.073 0.000 2.149 149 G HA2 -0.211 3.746 3.960 -0.005 0.000 0.235 149 G HA3 -0.211 3.746 3.960 -0.005 0.000 0.235 149 G C 0.228 175.084 174.900 -0.073 0.000 1.018 149 G CA -0.109 44.948 45.100 -0.072 0.000 0.728 149 G HN 0.912 nan 8.290 nan 0.000 0.508 150 G N -0.984 107.764 108.800 -0.086 0.000 2.795 150 G HA2 0.745 4.702 3.960 -0.005 0.000 0.267 150 G HA3 0.745 4.702 3.960 -0.005 0.000 0.267 150 G C -0.540 174.277 174.900 -0.138 0.000 1.362 150 G CA -0.770 44.275 45.100 -0.093 0.000 1.048 150 G HN 0.397 nan 8.290 nan 0.000 0.547 151 K N -0.689 119.621 120.400 -0.151 0.000 2.507 151 K HA 0.523 4.840 4.320 -0.005 0.000 0.251 151 K C -1.509 174.942 176.600 -0.249 0.000 0.943 151 K CA -0.331 55.839 56.287 -0.195 0.000 0.794 151 K CB 2.373 34.791 32.500 -0.137 0.000 1.188 151 K HN 0.223 nan 8.250 nan 0.000 0.428 152 I N 1.487 121.848 120.570 -0.349 0.000 2.433 152 I HA 0.353 4.520 4.170 -0.005 0.000 0.292 152 I C 0.370 176.287 176.117 -0.333 0.000 1.001 152 I CA -0.319 60.737 61.300 -0.407 0.000 1.119 152 I CB 2.156 39.680 38.000 -0.794 0.000 1.289 152 I HN 0.646 nan 8.210 nan 0.000 0.438 153 G N 6.048 114.662 108.800 -0.310 0.000 2.327 153 G HA2 0.504 4.461 3.960 -0.005 0.000 0.302 153 G HA3 0.504 4.461 3.960 -0.005 0.000 0.302 153 G C -0.977 173.656 174.900 -0.446 0.000 1.113 153 G CA -0.365 44.457 45.100 -0.463 0.000 0.921 153 G HN 0.479 nan 8.290 nan 0.000 0.425 154 L N 3.798 124.782 121.223 -0.399 0.000 2.259 154 L HA 0.596 4.933 4.340 -0.005 0.000 0.288 154 L C -0.898 175.800 176.870 -0.288 0.000 1.051 154 L CA -0.764 53.958 54.840 -0.197 0.000 0.824 154 L CB -0.040 42.001 42.059 -0.030 0.000 1.206 154 L HN 0.361 nan 8.230 nan 0.000 0.429 155 F N 3.827 123.801 119.950 0.040 0.000 2.385 155 F HA 0.702 5.226 4.527 -0.005 0.000 0.336 155 F C 1.133 176.960 175.800 0.045 0.000 1.100 155 F CA 0.155 58.175 58.000 0.034 0.000 1.116 155 F CB 1.459 40.479 39.000 0.033 0.000 1.166 155 F HN 0.707 nan 8.300 nan 0.000 0.511 156 G N 1.449 110.382 108.800 0.221 0.000 3.019 156 G HA2 0.231 4.188 3.960 -0.005 0.000 0.686 156 G HA3 0.231 4.188 3.960 -0.005 0.000 0.686 156 G C -0.052 174.920 174.900 0.121 0.000 1.056 156 G CA -0.749 44.440 45.100 0.147 0.000 0.774 156 G HN 1.109 nan 8.290 nan 0.000 0.583 157 G N 0.754 109.621 108.800 0.113 0.000 2.666 157 G HA2 0.892 4.849 3.960 -0.005 0.000 0.207 157 G HA3 0.892 4.849 3.960 -0.005 0.000 0.207 157 G C 1.023 175.978 174.900 0.091 0.000 1.481 157 G CA 0.576 45.740 45.100 0.107 0.000 1.071 157 G HN 2.188 nan 8.290 nan 0.000 0.572 158 A N -2.636 120.233 122.820 0.081 0.000 2.310 158 A HA 0.559 4.876 4.320 -0.005 0.000 0.260 158 A C 1.373 178.997 177.584 0.066 0.000 1.112 158 A CA 1.052 53.129 52.037 0.067 0.000 0.804 158 A CB -0.113 18.918 19.000 0.052 0.000 1.081 158 A HN 2.418 nan 8.150 nan 0.000 0.499 159 G N -2.424 106.413 108.800 0.061 0.000 2.179 159 G HA2 -0.064 3.893 3.960 -0.005 0.000 0.220 159 G HA3 -0.064 3.893 3.960 -0.005 0.000 0.220 159 G C 0.465 175.418 174.900 0.088 0.000 0.990 159 G CA 0.726 45.865 45.100 0.065 0.000 0.646 159 G HN 2.194 nan 8.290 nan 0.000 0.517 160 V N -3.371 116.604 119.914 0.103 0.000 3.372 160 V HA 0.685 4.802 4.120 -0.005 0.000 0.304 160 V C 1.318 177.527 176.094 0.192 0.000 1.530 160 V CA 0.828 63.213 62.300 0.142 0.000 1.080 160 V CB 0.181 32.058 31.823 0.090 0.000 0.929 160 V HN 2.156 nan 8.190 nan 0.000 0.455 161 G N 2.180 111.058 108.800 0.130 0.000 2.341 161 G HA2 -0.293 3.664 3.960 -0.005 0.000 0.278 161 G HA3 -0.293 3.664 3.960 -0.005 0.000 0.278 161 G C 0.643 175.599 174.900 0.092 0.000 1.111 161 G CA 0.757 45.917 45.100 0.100 0.000 0.982 161 G HN 0.738 nan 8.290 nan 0.000 0.502 162 K N -0.255 120.187 120.400 0.071 0.000 2.002 162 K HA -0.159 4.158 4.320 -0.005 0.000 0.209 162 K C 2.837 179.446 176.600 0.015 0.000 1.048 162 K CA 2.331 58.656 56.287 0.063 0.000 0.930 162 K CB -0.541 32.003 32.500 0.074 0.000 0.714 162 K HN 0.634 nan 8.250 nan 0.000 0.438 163 T N -0.272 114.275 114.554 -0.011 0.000 2.699 163 T HA -0.160 4.187 4.350 -0.005 0.000 0.268 163 T C 2.068 176.708 174.700 -0.100 0.000 1.036 163 T CA 1.812 63.870 62.100 -0.070 0.000 1.147 163 T CB -0.927 67.899 68.868 -0.069 0.000 0.862 163 T HN 0.059 nan 8.240 nan 0.000 0.446 164 V N 2.124 121.997 119.914 -0.067 0.000 2.223 164 V HA -0.109 4.008 4.120 -0.005 0.000 0.244 164 V C 2.565 178.558 176.094 -0.170 0.000 1.045 164 V CA 1.713 63.962 62.300 -0.085 0.000 1.000 164 V CB -1.208 30.613 31.823 -0.003 0.000 0.635 164 V HN 0.385 nan 8.190 nan 0.000 0.445 165 L N -0.026 121.124 121.223 -0.122 0.000 2.051 165 L HA -0.228 4.109 4.340 -0.005 0.000 0.214 165 L C 2.194 178.984 176.870 -0.134 0.000 1.076 165 L CA 1.933 56.672 54.840 -0.170 0.000 0.758 165 L CB -0.600 41.468 42.059 0.017 0.000 0.890 165 L HN 0.249 nan 8.230 nan 0.000 0.433 166 I N -1.391 119.103 120.570 -0.127 0.000 2.127 166 I HA -0.378 3.789 4.170 -0.005 0.000 0.241 166 I C 2.501 178.475 176.117 -0.238 0.000 1.075 166 I CA 1.973 63.102 61.300 -0.285 0.000 1.334 166 I CB -0.275 37.386 38.000 -0.565 0.000 1.040 166 I HN 0.305 nan 8.210 nan 0.000 0.405 167 M N -0.240 119.230 119.600 -0.217 0.000 2.117 167 M HA -0.243 4.234 4.480 -0.005 0.000 0.262 167 M C 2.264 178.497 176.300 -0.111 0.000 1.065 167 M CA 1.726 56.939 55.300 -0.146 0.000 1.114 167 M CB -0.426 32.099 32.600 -0.124 0.000 1.361 167 M HN 0.127 nan 8.290 nan 0.000 0.408 168 E N 0.925 121.001 120.200 -0.206 0.000 2.110 168 E HA -0.131 4.216 4.350 -0.005 0.000 0.193 168 E C 1.789 178.314 176.600 -0.125 0.000 0.988 168 E CA 1.184 57.430 56.400 -0.256 0.000 0.804 168 E CB -0.267 29.015 29.700 -0.697 0.000 0.745 168 E HN 0.453 nan 8.360 nan 0.000 0.458 169 L N -0.064 121.128 121.223 -0.053 0.000 2.083 169 L HA -0.163 4.174 4.340 -0.005 0.000 0.209 169 L C 2.353 179.317 176.870 0.157 0.000 1.083 169 L CA 1.004 55.901 54.840 0.094 0.000 0.752 169 L CB -0.371 41.857 42.059 0.281 0.000 0.899 169 L HN 0.221 nan 8.230 nan 0.000 0.433 170 I N -0.277 120.401 120.570 0.179 0.000 2.179 170 I HA -0.293 3.874 4.170 -0.005 0.000 0.242 170 I C 2.313 178.490 176.117 0.099 0.000 1.088 170 I CA 1.348 62.755 61.300 0.178 0.000 1.357 170 I CB -0.405 37.684 38.000 0.148 0.000 1.051 170 I HN 0.299 nan 8.210 nan 0.000 0.409 171 N N 1.233 119.963 118.700 0.050 0.000 2.069 171 N HA -0.198 4.539 4.740 -0.005 0.000 0.191 171 N C 1.568 177.102 175.510 0.040 0.000 1.031 171 N CA 1.705 54.775 53.050 0.034 0.000 0.852 171 N CB -0.131 38.361 38.487 0.007 0.000 1.018 171 N HN 0.201 nan 8.380 nan 0.000 0.423 172 N N -0.557 118.166 118.700 0.038 0.000 2.331 172 N HA -0.036 4.701 4.740 -0.005 0.000 0.180 172 N C 1.526 177.088 175.510 0.086 0.000 1.019 172 N CA 0.411 53.487 53.050 0.044 0.000 0.881 172 N CB -0.132 38.375 38.487 0.034 0.000 0.972 172 N HN 0.118 nan 8.380 nan 0.000 0.435 173 V N 1.094 121.078 119.914 0.117 0.000 2.407 173 V HA -0.052 4.065 4.120 -0.005 0.000 0.245 173 V C 2.352 178.512 176.094 0.110 0.000 1.041 173 V CA 1.548 63.954 62.300 0.176 0.000 1.040 173 V CB -0.837 31.052 31.823 0.110 0.000 0.671 173 V HN 0.239 nan 8.190 nan 0.000 0.455 174 A N -0.213 122.646 122.820 0.065 0.000 1.908 174 A HA -0.265 4.052 4.320 -0.005 0.000 0.218 174 A C 2.218 179.803 177.584 0.001 0.000 1.181 174 A CA 2.274 54.325 52.037 0.023 0.000 0.627 174 A CB -0.416 18.627 19.000 0.072 0.000 0.818 174 A HN 0.486 nan 8.150 nan 0.000 0.445 175 K N -0.415 119.991 120.400 0.009 0.000 1.967 175 K HA 0.052 4.369 4.320 -0.005 0.000 0.212 175 K C 2.242 178.802 176.600 -0.066 0.000 1.044 175 K CA 1.525 57.801 56.287 -0.018 0.000 0.942 175 K CB -0.427 32.067 32.500 -0.010 0.000 0.726 175 K HN 0.360 nan 8.250 nan 0.000 0.440 176 A N -0.128 122.625 122.820 -0.112 0.000 1.968 176 A HA -0.101 4.216 4.320 -0.005 0.000 0.217 176 A C 1.388 178.681 177.584 -0.484 0.000 1.169 176 A CA 1.356 53.202 52.037 -0.319 0.000 0.638 176 A CB -0.373 18.364 19.000 -0.439 0.000 0.812 176 A HN 0.401 nan 8.150 nan 0.000 0.446 177 H N -2.017 117.035 119.070 -0.031 0.000 3.170 177 H HA 0.258 4.811 4.556 -0.005 0.000 0.264 177 H C 1.269 176.552 175.328 -0.074 0.000 1.113 177 H CA 0.355 56.378 56.048 -0.042 0.000 1.194 177 H CB 0.274 30.015 29.762 -0.035 0.000 1.553 177 H HN 0.580 nan 8.280 nan 0.000 0.538 178 G N 1.626 110.418 108.800 -0.013 0.000 2.314 178 G HA2 -0.195 3.762 3.960 -0.005 0.000 0.292 178 G HA3 -0.195 3.762 3.960 -0.005 0.000 0.292 178 G C 0.409 175.182 174.900 -0.211 0.000 1.059 178 G CA 0.411 45.444 45.100 -0.111 0.000 0.982 178 G HN 0.677 nan 8.290 nan 0.000 0.505 179 G N -0.986 107.710 108.800 -0.173 0.000 2.566 179 G HA2 0.650 4.607 3.960 -0.005 0.000 0.311 179 G HA3 0.650 4.607 3.960 -0.005 0.000 0.311 179 G C -0.445 174.336 174.900 -0.198 0.000 1.322 179 G CA -0.951 44.017 45.100 -0.220 0.000 0.969 179 G HN 0.202 nan 8.290 nan 0.000 0.490 180 Y N 0.561 120.780 120.300 -0.135 0.000 2.295 180 Y HA 0.595 5.142 4.550 -0.004 0.000 0.331 180 Y C 1.103 176.935 175.900 -0.113 0.000 1.311 180 Y CA -0.727 57.243 58.100 -0.217 0.000 1.430 180 Y CB 1.443 39.553 38.460 -0.584 0.000 1.339 180 Y HN 0.417 nan 8.280 nan 0.000 0.552 181 S N -0.164 115.618 115.700 0.136 0.000 2.600 181 S HA 0.781 5.248 4.470 -0.005 0.000 0.300 181 S C -1.308 173.389 174.600 0.160 0.000 1.087 181 S CA -0.842 57.451 58.200 0.156 0.000 0.965 181 S CB 2.059 65.424 63.200 0.276 0.000 1.089 181 S HN 0.270 nan 8.310 nan 0.000 0.496 182 V N 2.248 122.285 119.914 0.204 0.000 2.569 182 V HA 0.425 4.542 4.120 -0.005 0.000 0.301 182 V C -1.428 174.847 176.094 0.301 0.000 1.044 182 V CA -0.603 61.821 62.300 0.208 0.000 0.874 182 V CB 1.404 33.317 31.823 0.150 0.000 1.002 182 V HN 0.859 nan 8.190 nan 0.000 0.424 183 F N 4.666 124.716 119.950 0.166 0.000 2.391 183 F HA 0.732 5.257 4.527 -0.004 0.000 0.359 183 F C 0.471 176.343 175.800 0.120 0.000 1.122 183 F CA -0.425 57.683 58.000 0.180 0.000 1.120 183 F CB 0.981 40.042 39.000 0.103 0.000 1.142 183 F HN 0.554 nan 8.300 nan 0.000 0.483 184 A N 5.028 127.713 122.820 -0.225 0.000 2.277 184 A HA 0.588 4.905 4.320 -0.005 0.000 0.318 184 A C 0.156 177.579 177.584 -0.268 0.000 1.339 184 A CA -0.340 51.620 52.037 -0.128 0.000 0.875 184 A CB -0.021 18.910 19.000 -0.114 0.000 1.158 184 A HN 0.975 nan 8.150 nan 0.000 0.514 185 G N 1.806 110.633 108.800 0.045 0.000 2.448 185 G HA2 0.470 4.427 3.960 -0.005 0.000 0.309 185 G HA3 0.470 4.427 3.960 -0.005 0.000 0.309 185 G C -0.328 174.608 174.900 0.060 0.000 1.027 185 G CA -0.134 45.028 45.100 0.103 0.000 1.104 185 G HN 0.621 nan 8.290 nan 0.000 0.428 186 V N 2.734 122.647 119.914 -0.002 0.000 2.385 186 V HA 0.548 4.665 4.120 -0.005 0.000 0.269 186 V C 1.252 177.359 176.094 0.022 0.000 1.043 186 V CA 0.658 62.975 62.300 0.029 0.000 0.906 186 V CB 0.643 32.499 31.823 0.055 0.000 0.995 186 V HN 1.317 nan 8.190 nan 0.000 0.467 187 G N 3.586 112.393 108.800 0.011 0.000 2.298 187 G HA2 -0.185 3.772 3.960 -0.005 0.000 0.287 187 G HA3 -0.185 3.772 3.960 -0.005 0.000 0.287 187 G C -0.025 174.860 174.900 -0.025 0.000 1.075 187 G CA -0.318 44.776 45.100 -0.010 0.000 0.960 187 G HN 0.644 nan 8.290 nan 0.000 0.502 188 E N 0.197 120.364 120.200 -0.054 0.000 2.324 188 E HA 0.171 4.518 4.350 -0.005 0.000 0.271 188 E C 1.156 177.678 176.600 -0.130 0.000 1.028 188 E CA -0.171 56.154 56.400 -0.124 0.000 0.890 188 E CB 0.516 30.020 29.700 -0.326 0.000 1.004 188 E HN 0.490 nan 8.360 nan 0.000 0.431 189 R N 1.663 122.107 120.500 -0.094 0.000 2.442 189 R HA 0.054 4.391 4.340 -0.005 0.000 0.291 189 R C 1.375 177.612 176.300 -0.105 0.000 1.069 189 R CA 0.044 56.101 56.100 -0.072 0.000 1.022 189 R CB 0.373 30.652 30.300 -0.035 0.000 0.976 189 R HN 0.448 nan 8.270 nan 0.000 0.443 190 T N 2.040 116.547 114.554 -0.078 0.000 2.833 190 T HA -0.186 4.161 4.350 -0.005 0.000 0.269 190 T C 1.738 176.419 174.700 -0.031 0.000 1.054 190 T CA 1.175 63.234 62.100 -0.069 0.000 1.135 190 T CB -0.126 68.725 68.868 -0.028 0.000 0.869 190 T HN 0.532 nan 8.240 nan 0.000 0.466 191 R N 1.244 121.736 120.500 -0.013 0.000 2.073 191 R HA -0.108 4.229 4.340 -0.005 0.000 0.234 191 R C 2.148 178.456 176.300 0.014 0.000 1.134 191 R CA 1.614 57.721 56.100 0.013 0.000 0.952 191 R CB -0.131 30.177 30.300 0.014 0.000 0.850 191 R HN 0.479 nan 8.270 nan 0.000 0.433 192 E N -0.982 119.208 120.200 -0.016 0.000 2.274 192 E HA -0.079 4.268 4.350 -0.005 0.000 0.194 192 E C 1.779 178.352 176.600 -0.045 0.000 0.996 192 E CA 0.762 57.152 56.400 -0.017 0.000 0.840 192 E CB 0.001 29.689 29.700 -0.020 0.000 0.772 192 E HN 0.582 nan 8.360 nan 0.000 0.491 193 G N 1.721 110.444 108.800 -0.128 0.000 2.434 193 G HA2 -0.336 3.621 3.960 -0.005 0.000 0.214 193 G HA3 -0.336 3.621 3.960 -0.005 0.000 0.214 193 G C 1.425 176.410 174.900 0.141 0.000 1.202 193 G CA 0.982 45.962 45.100 -0.200 0.000 0.788 193 G HN 0.203 nan 8.290 nan 0.000 0.539 194 N N 0.790 119.573 118.700 0.139 0.000 2.061 194 N HA -0.129 4.608 4.740 -0.005 0.000 0.193 194 N C 1.712 177.397 175.510 0.291 0.000 1.030 194 N CA 1.875 55.072 53.050 0.244 0.000 0.856 194 N CB -0.188 38.424 38.487 0.208 0.000 1.023 194 N HN 0.164 nan 8.380 nan 0.000 0.424 195 D N -0.303 120.203 120.400 0.177 0.000 2.144 195 D HA -0.122 4.515 4.640 -0.005 0.000 0.199 195 D C 1.849 178.223 176.300 0.122 0.000 0.984 195 D CA 0.567 54.655 54.000 0.147 0.000 0.834 195 D CB -0.366 40.481 40.800 0.078 0.000 0.955 195 D HN 0.307 nan 8.370 nan 0.000 0.465 196 L N -0.273 121.002 121.223 0.086 0.000 2.156 196 L HA -0.114 4.223 4.340 -0.005 0.000 0.208 196 L C 2.085 178.988 176.870 0.054 0.000 1.095 196 L CA 1.225 56.074 54.840 0.015 0.000 0.770 196 L CB -0.463 41.548 42.059 -0.080 0.000 0.914 196 L HN -0.037 nan 8.230 nan 0.000 0.439 197 Y N 0.345 120.622 120.300 -0.039 0.000 2.089 197 Y HA -0.279 4.269 4.550 -0.005 0.000 0.282 197 Y C 2.542 178.327 175.900 -0.190 0.000 1.139 197 Y CA 2.324 60.331 58.100 -0.154 0.000 1.123 197 Y CB -0.793 37.536 38.460 -0.218 0.000 0.980 197 Y HN 0.424 nan 8.280 nan 0.000 0.493 198 H N -0.576 118.439 119.070 -0.092 0.000 2.462 198 H HA -0.044 4.509 4.556 -0.005 0.000 0.292 198 H C 2.083 177.349 175.328 -0.104 0.000 1.049 198 H CA 1.364 57.298 56.048 -0.189 0.000 1.334 198 H CB -0.012 29.694 29.762 -0.093 0.000 1.404 198 H HN 0.446 nan 8.280 nan 0.000 0.544 199 E N 0.090 120.328 120.200 0.063 0.000 2.204 199 E HA -0.154 4.193 4.350 -0.005 0.000 0.195 199 E C 1.669 178.269 176.600 0.001 0.000 0.990 199 E CA 0.864 57.298 56.400 0.056 0.000 0.821 199 E CB 0.045 29.769 29.700 0.040 0.000 0.750 199 E HN 0.535 nan 8.360 nan 0.000 0.477 200 M N -0.239 119.324 119.600 -0.062 0.000 2.334 200 M HA -0.024 4.453 4.480 -0.005 0.000 0.266 200 M C 2.008 178.249 176.300 -0.098 0.000 1.082 200 M CA 0.871 56.120 55.300 -0.084 0.000 1.141 200 M CB 0.121 32.662 32.600 -0.099 0.000 1.380 200 M HN 0.106 nan 8.290 nan 0.000 0.440 201 I N -0.428 120.048 120.570 -0.156 0.000 2.333 201 I HA -0.195 3.972 4.170 -0.005 0.000 0.246 201 I C 2.240 178.305 176.117 -0.087 0.000 1.106 201 I CA 1.102 62.307 61.300 -0.157 0.000 1.411 201 I CB -0.384 37.460 38.000 -0.260 0.000 1.082 201 I HN 0.284 nan 8.210 nan 0.000 0.420 202 E N 0.813 120.980 120.200 -0.056 0.000 2.268 202 E HA -0.182 4.165 4.350 -0.005 0.000 0.195 202 E C 2.100 178.685 176.600 -0.026 0.000 0.995 202 E CA 1.379 57.756 56.400 -0.039 0.000 0.836 202 E CB 0.174 29.866 29.700 -0.013 0.000 0.763 202 E HN 0.538 nan 8.360 nan 0.000 0.491 203 S N -2.406 113.293 115.700 -0.002 0.000 2.497 203 S HA 0.253 4.720 4.470 -0.005 0.000 0.221 203 S C 1.461 176.059 174.600 -0.003 0.000 1.037 203 S CA 0.486 58.698 58.200 0.020 0.000 0.920 203 S CB 1.222 64.452 63.200 0.049 0.000 0.800 203 S HN 0.323 nan 8.310 nan 0.000 0.505 204 G N 0.735 109.521 108.800 -0.023 0.000 2.551 204 G HA2 -0.245 3.712 3.960 -0.005 0.000 0.186 204 G HA3 -0.245 3.712 3.960 -0.005 0.000 0.186 204 G C 0.945 175.829 174.900 -0.027 0.000 1.002 204 G CA 0.294 45.379 45.100 -0.024 0.000 0.723 204 G HN 1.100 nan 8.290 nan 0.000 0.481 205 V N -0.432 119.464 119.914 -0.030 0.000 2.358 205 V HA 0.342 4.459 4.120 -0.005 0.000 0.246 205 V C 1.549 177.618 176.094 -0.042 0.000 1.047 205 V CA 1.151 63.435 62.300 -0.027 0.000 1.035 205 V CB -0.459 31.349 31.823 -0.025 0.000 0.658 205 V HN 0.385 nan 8.190 nan 0.000 0.452 206 I N 2.286 122.820 120.570 -0.060 0.000 2.315 206 I HA 0.324 4.491 4.170 -0.005 0.000 0.291 206 I C -0.126 175.947 176.117 -0.073 0.000 1.006 206 I CA 0.066 61.326 61.300 -0.068 0.000 1.265 206 I CB 0.836 38.790 38.000 -0.077 0.000 1.387 206 I HN 0.186 nan 8.210 nan 0.000 0.475 207 N N 7.161 125.825 118.700 -0.059 0.000 2.558 207 N HA 0.287 5.024 4.740 -0.005 0.000 0.242 207 N C 0.598 176.080 175.510 -0.046 0.000 0.979 207 N CA -0.304 52.715 53.050 -0.051 0.000 0.931 207 N CB 1.568 40.032 38.487 -0.038 0.000 1.122 207 N HN 0.606 nan 8.380 nan 0.000 0.508 208 L N 2.082 123.273 121.223 -0.052 0.000 2.362 208 L HA -0.097 4.240 4.340 -0.005 0.000 0.219 208 L C 1.688 178.544 176.870 -0.023 0.000 1.134 208 L CA 0.980 55.798 54.840 -0.037 0.000 0.807 208 L CB 0.077 42.107 42.059 -0.048 0.000 0.927 208 L HN 0.342 nan 8.230 nan 0.000 0.447 209 K N 0.050 120.435 120.400 -0.025 0.000 2.118 209 K HA -0.002 4.315 4.320 -0.005 0.000 0.214 209 K C 0.802 177.392 176.600 -0.016 0.000 1.023 209 K CA 0.821 57.098 56.287 -0.018 0.000 0.948 209 K CB -0.071 32.419 32.500 -0.017 0.000 0.851 209 K HN 0.283 nan 8.250 nan 0.000 0.455 210 D N -1.223 119.167 120.400 -0.017 0.000 2.399 210 D HA 0.232 4.869 4.640 -0.005 0.000 0.288 210 D C 0.052 176.341 176.300 -0.019 0.000 1.197 210 D CA -0.222 53.770 54.000 -0.013 0.000 1.081 210 D CB 0.054 40.849 40.800 -0.008 0.000 1.139 210 D HN 0.085 nan 8.370 nan 0.000 0.554 211 A N -1.300 121.512 122.820 -0.014 0.000 2.535 211 A HA 0.241 4.558 4.320 -0.005 0.000 0.273 211 A C 1.264 178.832 177.584 -0.027 0.000 1.267 211 A CA 0.279 52.303 52.037 -0.023 0.000 0.940 211 A CB -0.843 18.152 19.000 -0.008 0.000 1.101 211 A HN 0.568 nan 8.150 nan 0.000 0.521 212 T N -2.050 112.494 114.554 -0.018 0.000 3.215 212 T HA 0.121 4.468 4.350 -0.005 0.000 0.254 212 T C 0.755 175.442 174.700 -0.023 0.000 1.149 212 T CA 0.451 62.549 62.100 -0.003 0.000 1.042 212 T CB -0.514 68.357 68.868 0.005 0.000 0.966 212 T HN 0.141 nan 8.240 nan 0.000 0.534 213 S N 1.402 117.061 115.700 -0.069 0.000 2.568 213 S HA 0.219 4.686 4.470 -0.005 0.000 0.282 213 S C 0.983 175.488 174.600 -0.159 0.000 1.338 213 S CA -0.353 57.787 58.200 -0.100 0.000 1.045 213 S CB 0.859 63.989 63.200 -0.116 0.000 0.873 213 S HN 0.513 nan 8.310 nan 0.000 0.516 214 K N 0.469 120.808 120.400 -0.101 0.000 2.412 214 K HA 0.201 4.518 4.320 -0.005 0.000 0.202 214 K C -0.429 176.132 176.600 -0.065 0.000 1.102 214 K CA 0.067 56.333 56.287 -0.035 0.000 1.027 214 K CB 0.771 33.324 32.500 0.088 0.000 0.931 214 K HN 0.496 nan 8.250 nan 0.000 0.557 215 V N -0.992 118.870 119.914 -0.087 0.000 2.769 215 V HA 0.802 4.919 4.120 -0.005 0.000 0.312 215 V C -0.788 175.270 176.094 -0.060 0.000 1.061 215 V CA -1.498 60.785 62.300 -0.029 0.000 0.931 215 V CB 1.673 33.514 31.823 0.030 0.000 1.010 215 V HN -0.016 nan 8.190 nan 0.000 0.433 216 A N 4.392 127.211 122.820 -0.002 0.000 2.303 216 A HA 0.840 5.157 4.320 -0.005 0.000 0.320 216 A C -0.613 176.990 177.584 0.033 0.000 1.192 216 A CA -0.618 51.421 52.037 0.004 0.000 0.821 216 A CB 0.689 19.724 19.000 0.059 0.000 1.188 216 A HN 0.900 nan 8.150 nan 0.000 0.492 217 L N 3.388 124.580 121.223 -0.052 0.000 2.282 217 L HA 0.520 4.857 4.340 -0.005 0.000 0.288 217 L C -0.817 175.965 176.870 -0.147 0.000 1.033 217 L CA -0.773 54.002 54.840 -0.108 0.000 0.807 217 L CB 1.478 43.327 42.059 -0.349 0.000 1.209 217 L HN 0.441 nan 8.230 nan 0.000 0.423 218 V N 2.919 122.827 119.914 -0.011 0.000 2.448 218 V HA 0.382 4.499 4.120 -0.005 0.000 0.295 218 V C -0.947 175.269 176.094 0.203 0.000 1.025 218 V CA -0.716 61.596 62.300 0.020 0.000 0.859 218 V CB 1.743 33.593 31.823 0.046 0.000 0.988 218 V HN 0.368 nan 8.190 nan 0.000 0.431 219 Y N 2.463 122.787 120.300 0.040 0.000 2.388 219 Y HA 0.648 5.194 4.550 -0.006 0.000 0.328 219 Y C 0.789 176.705 175.900 0.027 0.000 0.963 219 Y CA -1.442 56.686 58.100 0.045 0.000 1.240 219 Y CB 2.011 40.480 38.460 0.015 0.000 1.118 219 Y HN 0.737 nan 8.280 nan 0.000 0.484 220 G N 4.571 113.477 108.800 0.177 0.000 2.696 220 G HA2 0.338 4.295 3.960 -0.005 0.000 0.329 220 G HA3 0.338 4.295 3.960 -0.005 0.000 0.329 220 G C -0.192 174.729 174.900 0.035 0.000 0.973 220 G CA -0.491 44.661 45.100 0.086 0.000 1.257 220 G HN 0.558 nan 8.290 nan 0.000 0.456 221 Q N 1.424 121.234 119.800 0.017 0.000 2.443 221 Q HA 0.232 4.569 4.340 -0.005 0.000 0.232 221 Q C 1.517 177.504 176.000 -0.021 0.000 1.026 221 Q CA -0.299 55.484 55.803 -0.034 0.000 0.924 221 Q CB 1.301 30.021 28.738 -0.030 0.000 1.256 221 Q HN 0.520 nan 8.270 nan 0.000 0.519 222 M N 1.162 120.742 119.600 -0.033 0.000 2.132 222 M HA -0.155 4.322 4.480 -0.005 0.000 0.263 222 M C 1.253 177.543 176.300 -0.017 0.000 1.065 222 M CA 1.396 56.681 55.300 -0.025 0.000 1.122 222 M CB -0.398 32.185 32.600 -0.028 0.000 1.365 222 M HN 0.661 nan 8.290 nan 0.000 0.411 223 N N 0.934 119.626 118.700 -0.014 0.000 2.617 223 N HA -0.045 4.692 4.740 -0.005 0.000 0.198 223 N C -0.685 174.824 175.510 -0.002 0.000 1.317 223 N CA 0.391 53.436 53.050 -0.007 0.000 0.892 223 N CB -0.333 38.151 38.487 -0.005 0.000 1.041 223 N HN 0.362 nan 8.380 nan 0.000 0.450 224 E N 0.587 120.786 120.200 -0.002 0.000 2.195 224 E HA 0.346 4.693 4.350 -0.005 0.000 0.271 224 E C -2.437 174.163 176.600 -0.001 0.000 0.923 224 E CA -2.627 53.775 56.400 0.004 0.000 0.790 224 E CB 1.362 31.069 29.700 0.012 0.000 1.155 224 E HN 0.201 nan 8.360 nan 0.000 0.402 225 P HA -0.041 nan 4.420 nan 0.000 0.269 225 P C -2.035 175.260 177.300 -0.009 0.000 1.217 225 P CA -1.024 62.073 63.100 -0.005 0.000 0.783 225 P CB 0.127 31.827 31.700 0.000 0.000 0.898 226 P HA -0.208 nan 4.420 nan 0.000 0.217 226 P C 1.644 178.929 177.300 -0.024 0.000 1.148 226 P CA 2.022 65.103 63.100 -0.031 0.000 0.828 226 P CB -0.678 30.998 31.700 -0.039 0.000 0.783 227 G N 0.674 109.469 108.800 -0.008 0.000 2.446 227 G HA2 -0.258 3.699 3.960 -0.005 0.000 0.217 227 G HA3 -0.258 3.699 3.960 -0.005 0.000 0.217 227 G C 1.828 176.738 174.900 0.016 0.000 1.168 227 G CA 1.206 46.310 45.100 0.006 0.000 0.771 227 G HN 0.391 nan 8.290 nan 0.000 0.551 228 A N 0.415 123.244 122.820 0.016 0.000 1.930 228 A HA 0.085 4.402 4.320 -0.005 0.000 0.217 228 A C 2.435 180.036 177.584 0.029 0.000 1.175 228 A CA 1.411 53.462 52.037 0.025 0.000 0.627 228 A CB -0.289 18.725 19.000 0.024 0.000 0.815 228 A HN 0.348 nan 8.150 nan 0.000 0.443 229 R N -0.717 119.792 120.500 0.016 0.000 2.148 229 R HA 0.058 4.395 4.340 -0.005 0.000 0.223 229 R C 2.175 178.499 176.300 0.039 0.000 1.088 229 R CA 0.925 57.037 56.100 0.021 0.000 0.985 229 R CB -0.240 30.055 30.300 -0.008 0.000 0.880 229 R HN 0.489 nan 8.270 nan 0.000 0.451 230 A N 0.496 123.318 122.820 0.003 0.000 2.123 230 A HA 0.013 4.330 4.320 -0.005 0.000 0.214 230 A C 1.663 179.299 177.584 0.087 0.000 1.152 230 A CA 0.656 52.676 52.037 -0.029 0.000 0.728 230 A CB 0.195 19.136 19.000 -0.099 0.000 0.814 230 A HN 0.045 nan 8.150 nan 0.000 0.464 231 R N -1.451 119.095 120.500 0.076 0.000 2.373 231 R HA 0.162 4.499 4.340 -0.005 0.000 0.221 231 R C 1.630 177.950 176.300 0.033 0.000 0.893 231 R CA 0.682 56.815 56.100 0.055 0.000 1.049 231 R CB -0.932 29.385 30.300 0.029 0.000 1.119 231 R HN 0.328 nan 8.270 nan 0.000 0.535 232 V N 1.672 121.619 119.914 0.054 0.000 2.490 232 V HA -0.145 3.972 4.120 -0.005 0.000 0.250 232 V C 2.107 178.206 176.094 0.008 0.000 1.061 232 V CA 2.017 64.338 62.300 0.035 0.000 1.064 232 V CB -0.350 31.505 31.823 0.055 0.000 0.670 232 V HN 0.300 nan 8.190 nan 0.000 0.461 233 A N -0.650 122.178 122.820 0.014 0.000 2.070 233 A HA -0.101 4.216 4.320 -0.005 0.000 0.220 233 A C 2.053 179.566 177.584 -0.119 0.000 1.159 233 A CA 1.862 53.836 52.037 -0.104 0.000 0.656 233 A CB -0.385 18.451 19.000 -0.274 0.000 0.800 233 A HN 0.604 nan 8.150 nan 0.000 0.453 234 L N -1.616 119.564 121.223 -0.072 0.000 2.168 234 L HA -0.048 4.289 4.340 -0.005 0.000 0.203 234 L C 2.615 179.434 176.870 -0.085 0.000 1.078 234 L CA 1.407 56.184 54.840 -0.104 0.000 0.780 234 L CB -0.849 41.106 42.059 -0.172 0.000 0.939 234 L HN 0.225 nan 8.230 nan 0.000 0.451 235 T N -0.075 114.442 114.554 -0.062 0.000 2.849 235 T HA -0.145 4.202 4.350 -0.005 0.000 0.270 235 T C 1.795 176.480 174.700 -0.025 0.000 1.066 235 T CA 1.397 63.474 62.100 -0.038 0.000 1.130 235 T CB -0.468 68.391 68.868 -0.016 0.000 0.864 235 T HN 0.571 nan 8.240 nan 0.000 0.481 236 G N 0.928 109.712 108.800 -0.026 0.000 2.426 236 G HA2 -0.022 3.935 3.960 -0.005 0.000 0.214 236 G HA3 -0.022 3.935 3.960 -0.005 0.000 0.214 236 G C 1.436 176.328 174.900 -0.013 0.000 1.156 236 G CA 0.198 45.291 45.100 -0.011 0.000 0.802 236 G HN 0.406 nan 8.290 nan 0.000 0.534 237 L N 1.302 122.497 121.223 -0.047 0.000 2.093 237 L HA 0.056 4.393 4.340 -0.005 0.000 0.208 237 L C 2.704 179.564 176.870 -0.017 0.000 1.085 237 L CA 2.257 57.069 54.840 -0.047 0.000 0.755 237 L CB -0.887 41.121 42.059 -0.085 0.000 0.904 237 L HN 0.150 nan 8.230 nan 0.000 0.435 238 T N -1.370 113.170 114.554 -0.023 0.000 2.857 238 T HA -0.094 4.253 4.350 -0.005 0.000 0.266 238 T C 1.970 176.669 174.700 -0.003 0.000 1.048 238 T CA 1.386 63.477 62.100 -0.014 0.000 1.139 238 T CB -0.269 68.582 68.868 -0.027 0.000 0.874 238 T HN 0.192 nan 8.240 nan 0.000 0.455 239 V N 1.703 121.619 119.914 0.003 0.000 2.515 239 V HA -0.107 4.010 4.120 -0.005 0.000 0.250 239 V C 2.830 179.014 176.094 0.150 0.000 1.058 239 V CA 1.575 63.888 62.300 0.021 0.000 1.064 239 V CB -1.064 30.790 31.823 0.051 0.000 0.675 239 V HN 0.519 nan 8.190 nan 0.000 0.461 240 A N -0.588 122.331 122.820 0.166 0.000 1.970 240 A HA -0.144 4.173 4.320 -0.005 0.000 0.216 240 A C 2.157 179.847 177.584 0.178 0.000 1.170 240 A CA 1.277 53.460 52.037 0.243 0.000 0.645 240 A CB -0.342 18.733 19.000 0.126 0.000 0.816 240 A HN 0.575 nan 8.150 nan 0.000 0.447 241 E N -1.639 118.609 120.200 0.079 0.000 2.204 241 E HA -0.172 4.175 4.350 -0.005 0.000 0.194 241 E C 1.643 178.250 176.600 0.011 0.000 0.989 241 E CA 1.079 57.500 56.400 0.035 0.000 0.824 241 E CB -0.242 29.463 29.700 0.010 0.000 0.756 241 E HN 0.814 nan 8.360 nan 0.000 0.477 242 Y N 0.035 120.235 120.300 -0.167 0.000 2.181 242 Y HA -0.238 4.309 4.550 -0.005 0.000 0.288 242 Y C 1.478 177.209 175.900 -0.283 0.000 1.146 242 Y CA 1.533 59.448 58.100 -0.307 0.000 1.164 242 Y CB -0.120 38.013 38.460 -0.546 0.000 0.982 242 Y HN -0.038 nan 8.280 nan 0.000 0.515 243 F N 0.097 120.140 119.950 0.154 0.000 2.748 243 F HA 0.061 4.585 4.527 -0.005 0.000 0.299 243 F C 2.468 178.253 175.800 -0.025 0.000 1.154 243 F CA 1.048 59.101 58.000 0.088 0.000 1.446 243 F CB -0.454 38.686 39.000 0.234 0.000 1.112 243 F HN 0.021 nan 8.300 nan 0.000 0.584 244 R N 0.334 120.882 120.500 0.080 0.000 2.075 244 R HA -0.049 4.288 4.340 -0.005 0.000 0.220 244 R C 1.347 177.617 176.300 -0.049 0.000 1.118 244 R CA 1.530 57.640 56.100 0.017 0.000 0.986 244 R CB -0.031 30.275 30.300 0.010 0.000 0.884 244 R HN 0.098 nan 8.270 nan 0.000 0.439 245 D N -0.270 120.067 120.400 -0.104 0.000 2.323 245 D HA -0.042 4.595 4.640 -0.005 0.000 0.218 245 D C 1.817 178.005 176.300 -0.187 0.000 0.973 245 D CA 0.497 54.423 54.000 -0.122 0.000 0.890 245 D CB 0.140 40.879 40.800 -0.103 0.000 1.011 245 D HN 0.204 nan 8.370 nan 0.000 0.499 246 Q N 0.492 120.079 119.800 -0.355 0.000 2.302 246 Q HA 0.054 4.391 4.340 -0.005 0.000 0.202 246 Q C 1.041 176.849 176.000 -0.319 0.000 0.936 246 Q CA 0.733 56.258 55.803 -0.463 0.000 0.886 246 Q CB 0.487 28.607 28.738 -1.030 0.000 0.986 246 Q HN 0.429 nan 8.270 nan 0.000 0.487 247 E N -0.945 119.114 120.200 -0.235 0.000 2.601 247 E HA 0.181 4.528 4.350 -0.005 0.000 0.219 247 E C 0.177 176.762 176.600 -0.025 0.000 0.964 247 E CA 0.142 56.508 56.400 -0.058 0.000 1.050 247 E CB 1.024 30.782 29.700 0.097 0.000 1.068 247 E HN 0.364 nan 8.360 nan 0.000 0.496 248 G N 2.659 111.432 108.800 -0.046 0.000 2.305 248 G HA2 -0.329 3.628 3.960 -0.005 0.000 0.287 248 G HA3 -0.329 3.628 3.960 -0.005 0.000 0.287 248 G C 0.016 174.905 174.900 -0.019 0.000 1.036 248 G CA 0.532 45.613 45.100 -0.032 0.000 0.887 248 G HN 0.224 nan 8.290 nan 0.000 0.505 249 Q N -0.582 119.218 119.800 0.000 0.000 2.212 249 Q HA 0.408 4.745 4.340 -0.005 0.000 0.238 249 Q C -0.642 175.348 176.000 -0.016 0.000 0.955 249 Q CA -0.780 55.013 55.803 -0.017 0.000 0.906 249 Q CB 0.844 29.565 28.738 -0.029 0.000 1.215 249 Q HN 0.192 nan 8.270 nan 0.000 0.478 250 D N 1.534 121.913 120.400 -0.035 0.000 2.453 250 D HA 0.172 4.809 4.640 -0.005 0.000 0.223 250 D C -0.581 175.690 176.300 -0.048 0.000 1.183 250 D CA -0.001 53.967 54.000 -0.054 0.000 0.933 250 D CB 0.463 41.204 40.800 -0.098 0.000 1.038 250 D HN 0.131 nan 8.370 nan 0.000 0.513 251 V N 1.794 121.697 119.914 -0.019 0.000 3.133 251 V HA 0.292 4.409 4.120 -0.005 0.000 0.305 251 V C 0.253 176.323 176.094 -0.040 0.000 1.084 251 V CA -0.774 61.532 62.300 0.009 0.000 1.089 251 V CB 1.352 33.222 31.823 0.079 0.000 1.073 251 V HN 0.267 nan 8.190 nan 0.000 0.477 252 L N 3.106 124.305 121.223 -0.039 0.000 2.381 252 L HA 0.674 5.011 4.340 -0.005 0.000 0.274 252 L C -1.025 175.736 176.870 -0.182 0.000 0.988 252 L CA -0.338 54.414 54.840 -0.146 0.000 0.824 252 L CB 1.501 43.486 42.059 -0.123 0.000 1.263 252 L HN 0.621 nan 8.230 nan 0.000 0.410 253 L N 5.404 126.444 121.223 -0.304 0.000 2.343 253 L HA 0.605 4.942 4.340 -0.005 0.000 0.278 253 L C -1.505 175.132 176.870 -0.388 0.000 0.996 253 L CA 0.023 54.719 54.840 -0.239 0.000 0.831 253 L CB 1.077 43.045 42.059 -0.151 0.000 1.232 253 L HN 0.416 nan 8.230 nan 0.000 0.413 254 F N 5.964 125.857 119.950 -0.095 0.000 2.410 254 F HA 0.542 5.067 4.527 -0.004 0.000 0.349 254 F C 0.174 175.742 175.800 -0.387 0.000 1.117 254 F CA -0.314 57.572 58.000 -0.191 0.000 1.104 254 F CB 1.081 40.025 39.000 -0.092 0.000 1.122 254 F HN 0.259 nan 8.300 nan 0.000 0.483 255 I N 2.949 123.410 120.570 -0.183 0.000 2.389 255 I HA 0.307 4.474 4.170 -0.005 0.000 0.288 255 I C -1.177 174.808 176.117 -0.220 0.000 0.999 255 I CA -0.482 60.658 61.300 -0.267 0.000 1.129 255 I CB 1.769 39.614 38.000 -0.259 0.000 1.288 255 I HN 0.454 nan 8.210 nan 0.000 0.444 256 D N 5.436 125.672 120.400 -0.273 0.000 2.479 256 D HA 0.275 4.912 4.640 -0.005 0.000 0.246 256 D C -1.054 175.223 176.300 -0.039 0.000 1.336 256 D CA -0.414 53.522 54.000 -0.108 0.000 0.967 256 D CB 1.148 41.930 40.800 -0.031 0.000 1.275 256 D HN 0.592 nan 8.370 nan 0.000 0.577 257 N N 3.070 121.780 118.700 0.017 0.000 2.272 257 N HA 0.299 5.036 4.740 -0.005 0.000 0.305 257 N C 0.279 175.832 175.510 0.072 0.000 1.103 257 N CA -0.737 52.341 53.050 0.048 0.000 0.791 257 N CB 1.410 39.968 38.487 0.118 0.000 1.356 257 N HN 0.255 nan 8.380 nan 0.000 0.486 258 I N 2.096 122.700 120.570 0.057 0.000 2.493 258 I HA 0.003 4.170 4.170 -0.005 0.000 0.254 258 I C 1.304 177.558 176.117 0.229 0.000 1.160 258 I CA 0.996 62.343 61.300 0.077 0.000 1.445 258 I CB -0.465 37.518 38.000 -0.029 0.000 1.086 258 I HN 0.743 nan 8.210 nan 0.000 0.433 259 F N 1.333 121.346 119.950 0.105 0.000 2.186 259 F HA -0.113 4.411 4.527 -0.005 0.000 0.299 259 F C 2.409 178.273 175.800 0.106 0.000 1.090 259 F CA 1.491 59.571 58.000 0.133 0.000 1.307 259 F CB -0.367 38.757 39.000 0.207 0.000 1.019 259 F HN -0.085 nan 8.300 nan 0.000 0.489 260 R N -0.929 119.566 120.500 -0.007 0.000 2.280 260 R HA -0.117 4.220 4.340 -0.005 0.000 0.207 260 R C 2.007 178.270 176.300 -0.060 0.000 1.043 260 R CA 1.084 57.110 56.100 -0.123 0.000 1.006 260 R CB -0.597 29.690 30.300 -0.021 0.000 0.885 260 R HN 0.453 nan 8.270 nan 0.000 0.467 261 F N 0.634 120.508 119.950 -0.127 0.000 2.270 261 F HA -0.037 4.487 4.527 -0.005 0.000 0.295 261 F C 1.920 177.647 175.800 -0.122 0.000 1.087 261 F CA 1.119 59.055 58.000 -0.106 0.000 1.365 261 F CB -0.122 38.828 39.000 -0.085 0.000 1.056 261 F HN -0.221 nan 8.300 nan 0.000 0.506 262 T N 0.556 114.973 114.554 -0.228 0.000 2.737 262 T HA -0.151 4.196 4.350 -0.005 0.000 0.265 262 T C 1.833 176.350 174.700 -0.305 0.000 1.038 262 T CA 1.412 63.325 62.100 -0.313 0.000 1.144 262 T CB -0.223 68.558 68.868 -0.145 0.000 0.866 262 T HN 0.279 nan 8.240 nan 0.000 0.434 263 Q N 0.592 120.156 119.800 -0.393 0.000 2.224 263 Q HA 0.087 4.424 4.340 -0.005 0.000 0.203 263 Q C 2.676 178.541 176.000 -0.225 0.000 0.970 263 Q CA 1.150 56.760 55.803 -0.322 0.000 0.865 263 Q CB -0.474 27.971 28.738 -0.489 0.000 0.922 263 Q HN 0.563 nan 8.270 nan 0.000 0.445 264 A N 0.815 123.492 122.820 -0.239 0.000 1.877 264 A HA -0.087 4.230 4.320 -0.005 0.000 0.216 264 A C 2.326 179.789 177.584 -0.202 0.000 1.186 264 A CA 1.793 53.718 52.037 -0.188 0.000 0.620 264 A CB -1.027 17.875 19.000 -0.163 0.000 0.822 264 A HN 0.442 nan 8.150 nan 0.000 0.443 265 G N -1.316 107.299 108.800 -0.308 0.000 2.448 265 G HA2 -0.092 3.865 3.960 -0.005 0.000 0.218 265 G HA3 -0.092 3.865 3.960 -0.005 0.000 0.218 265 G C 1.842 176.653 174.900 -0.148 0.000 1.135 265 G CA 1.351 46.291 45.100 -0.266 0.000 0.784 265 G HN 0.544 nan 8.290 nan 0.000 0.543 266 S N 0.178 115.809 115.700 -0.115 0.000 2.368 266 S HA -0.082 4.385 4.470 -0.005 0.000 0.224 266 S C 2.215 176.783 174.600 -0.053 0.000 1.029 266 S CA 1.664 59.840 58.200 -0.039 0.000 0.988 266 S CB -0.237 62.974 63.200 0.018 0.000 0.838 266 S HN 0.568 nan 8.310 nan 0.000 0.462 267 E N 0.149 120.304 120.200 -0.074 0.000 2.077 267 E HA -0.109 4.238 4.350 -0.005 0.000 0.193 267 E C 2.132 178.703 176.600 -0.049 0.000 0.989 267 E CA 1.507 57.871 56.400 -0.061 0.000 0.800 267 E CB -0.199 29.461 29.700 -0.067 0.000 0.746 267 E HN 0.394 nan 8.360 nan 0.000 0.452 268 V N 0.709 120.588 119.914 -0.057 0.000 2.261 268 V HA -0.264 3.853 4.120 -0.005 0.000 0.246 268 V C 2.385 178.460 176.094 -0.030 0.000 1.047 268 V CA 1.962 64.237 62.300 -0.041 0.000 1.015 268 V CB -0.609 31.186 31.823 -0.048 0.000 0.642 268 V HN 0.245 nan 8.190 nan 0.000 0.446 269 S N -0.235 115.445 115.700 -0.034 0.000 2.399 269 S HA -0.140 4.327 4.470 -0.005 0.000 0.231 269 S C 2.068 176.659 174.600 -0.015 0.000 1.022 269 S CA 1.427 59.614 58.200 -0.021 0.000 0.983 269 S CB -0.321 62.868 63.200 -0.018 0.000 0.803 269 S HN 0.616 nan 8.310 nan 0.000 0.480 270 A N 0.951 123.758 122.820 -0.021 0.000 1.969 270 A HA 0.141 4.458 4.320 -0.005 0.000 0.218 270 A C 2.156 179.730 177.584 -0.016 0.000 1.169 270 A CA 0.946 52.971 52.037 -0.019 0.000 0.635 270 A CB -0.498 18.486 19.000 -0.028 0.000 0.810 270 A HN 0.563 nan 8.150 nan 0.000 0.445 271 L N -0.820 120.393 121.223 -0.017 0.000 2.095 271 L HA -0.057 4.280 4.340 -0.005 0.000 0.204 271 L C 2.446 179.312 176.870 -0.006 0.000 1.080 271 L CA 0.778 55.610 54.840 -0.012 0.000 0.759 271 L CB -0.427 41.624 42.059 -0.013 0.000 0.914 271 L HN 0.367 nan 8.230 nan 0.000 0.439 272 L N -0.296 120.924 121.223 -0.005 0.000 2.127 272 L HA -0.121 4.216 4.340 -0.005 0.000 0.211 272 L C 1.364 178.234 176.870 0.001 0.000 1.089 272 L CA 1.214 56.054 54.840 0.000 0.000 0.757 272 L CB -0.572 41.487 42.059 0.000 0.000 0.899 272 L HN 0.571 nan 8.230 nan 0.000 0.434 273 G N -0.265 108.534 108.800 -0.002 0.000 2.145 273 G HA2 -0.176 3.781 3.960 -0.005 0.000 0.145 273 G HA3 -0.176 3.781 3.960 -0.005 0.000 0.145 273 G C -0.001 174.899 174.900 -0.000 0.000 1.017 273 G CA -0.664 44.435 45.100 -0.001 0.000 0.682 273 G HN 0.219 nan 8.290 nan 0.000 0.504 274 R N -0.008 120.491 120.500 -0.001 0.000 2.441 274 R HA 0.515 4.852 4.340 -0.005 0.000 0.284 274 R C 0.987 177.288 176.300 0.002 0.000 1.070 274 R CA -0.495 55.606 56.100 0.001 0.000 1.047 274 R CB 0.924 31.224 30.300 0.001 0.000 1.016 274 R HN 0.318 nan 8.270 nan 0.000 0.477 275 I N 5.087 125.659 120.570 0.005 0.000 2.662 275 I HA 0.026 4.193 4.170 -0.005 0.000 0.285 275 I C -1.778 174.345 176.117 0.010 0.000 1.161 275 I CA -1.593 59.710 61.300 0.006 0.000 1.415 275 I CB 0.281 38.285 38.000 0.007 0.000 1.385 275 I HN 0.266 nan 8.210 nan 0.000 0.552 276 P HA 0.106 nan 4.420 nan 0.000 0.271 276 P C -0.127 177.188 177.300 0.025 0.000 1.218 276 P CA -0.163 62.945 63.100 0.013 0.000 0.780 276 P CB 0.989 32.687 31.700 -0.003 0.000 0.901 277 S N 1.506 117.234 115.700 0.047 0.000 2.481 277 S HA 0.605 5.072 4.470 -0.005 0.000 0.267 277 S C 0.081 174.723 174.600 0.071 0.000 1.174 277 S CA -0.301 57.936 58.200 0.062 0.000 1.027 277 S CB -0.185 63.064 63.200 0.082 0.000 1.117 277 S HN 0.524 nan 8.310 nan 0.000 0.495 278 A N 0.082 122.959 122.820 0.095 0.000 2.483 278 A HA 0.427 4.744 4.320 -0.005 0.000 0.238 278 A C 1.009 178.672 177.584 0.132 0.000 1.070 278 A CA 0.274 52.371 52.037 0.100 0.000 0.770 278 A CB -0.573 18.491 19.000 0.106 0.000 1.008 278 A HN 1.577 nan 8.150 nan 0.000 0.497 279 V N 0.979 120.937 119.914 0.074 0.000 2.956 279 V HA -0.332 3.785 4.120 -0.005 0.000 0.165 279 V C 1.812 177.803 176.094 -0.171 0.000 0.450 279 V CA 1.855 64.165 62.300 0.016 0.000 1.165 279 V CB -2.430 29.481 31.823 0.147 0.000 1.346 279 V HN 2.913 nan 8.190 nan 0.000 1.106 280 G N -2.945 105.789 108.800 -0.110 0.000 2.199 280 G HA2 -0.333 3.624 3.960 -0.005 0.000 0.254 280 G HA3 -0.333 3.624 3.960 -0.005 0.000 0.254 280 G C -0.087 174.711 174.900 -0.171 0.000 0.982 280 G CA 0.293 45.295 45.100 -0.163 0.000 0.632 280 G HN 0.820 nan 8.290 nan 0.000 0.529 281 Y N 2.013 122.327 120.300 0.022 0.000 2.296 281 Y HA 0.426 4.973 4.550 -0.005 0.000 0.343 281 Y C 1.406 177.302 175.900 -0.006 0.000 1.292 281 Y CA -0.014 58.090 58.100 0.007 0.000 1.490 281 Y CB 0.338 38.814 38.460 0.026 0.000 1.359 281 Y HN 0.418 nan 8.280 nan 0.000 0.599 282 Q N 1.684 121.590 119.800 0.176 0.000 2.394 282 Q HA 0.120 4.457 4.340 -0.005 0.000 0.248 282 Q C -2.416 173.624 176.000 0.067 0.000 0.992 282 Q CA -1.652 54.195 55.803 0.074 0.000 0.888 282 Q CB 0.661 29.415 28.738 0.025 0.000 1.257 282 Q HN 0.352 nan 8.270 nan 0.000 0.462 283 P HA -0.059 nan 4.420 nan 0.000 0.221 283 P C 0.844 178.160 177.300 0.027 0.000 1.150 283 P CA 1.557 64.678 63.100 0.035 0.000 0.800 283 P CB -0.001 31.713 31.700 0.024 0.000 0.787 284 T N -3.196 111.368 114.554 0.016 0.000 3.252 284 T HA 0.074 4.421 4.350 -0.005 0.000 0.250 284 T C 1.431 176.135 174.700 0.006 0.000 1.123 284 T CA -0.147 61.959 62.100 0.009 0.000 1.006 284 T CB -0.867 68.000 68.868 -0.001 0.000 0.992 284 T HN -0.125 nan 8.240 nan 0.000 0.547 285 L N 1.936 123.164 121.223 0.009 0.000 2.013 285 L HA 0.048 4.385 4.340 -0.005 0.000 0.212 285 L C 2.684 179.561 176.870 0.011 0.000 1.073 285 L CA 2.032 56.867 54.840 -0.008 0.000 0.753 285 L CB -1.288 40.762 42.059 -0.015 0.000 0.890 285 L HN 0.345 nan 8.230 nan 0.000 0.432 286 A N -1.146 121.692 122.820 0.031 0.000 1.883 286 A HA -0.266 4.051 4.320 -0.005 0.000 0.217 286 A C 2.386 180.011 177.584 0.068 0.000 1.186 286 A CA 2.956 55.029 52.037 0.059 0.000 0.624 286 A CB -1.442 17.591 19.000 0.055 0.000 0.822 286 A HN 0.656 nan 8.150 nan 0.000 0.444 287 T N -2.654 111.929 114.554 0.049 0.000 2.809 287 T HA -0.110 4.237 4.350 -0.005 0.000 0.260 287 T C 1.389 176.116 174.700 0.046 0.000 1.039 287 T CA 1.413 63.542 62.100 0.048 0.000 1.141 287 T CB -0.614 68.275 68.868 0.035 0.000 0.869 287 T HN 0.303 nan 8.240 nan 0.000 0.437 288 D N 0.744 121.162 120.400 0.030 0.000 2.239 288 D HA -0.084 4.553 4.640 -0.005 0.000 0.202 288 D C 1.765 178.122 176.300 0.095 0.000 0.993 288 D CA 1.086 55.100 54.000 0.024 0.000 0.874 288 D CB -0.311 40.456 40.800 -0.055 0.000 0.922 288 D HN 0.395 nan 8.370 nan 0.000 0.464 289 M N -0.613 119.030 119.600 0.073 0.000 2.429 289 M HA 0.202 4.679 4.480 -0.005 0.000 0.265 289 M C 1.921 178.170 176.300 -0.084 0.000 1.120 289 M CA 1.278 56.608 55.300 0.049 0.000 1.173 289 M CB -0.196 32.412 32.600 0.013 0.000 1.343 289 M HN -0.055 nan 8.290 nan 0.000 0.464 290 G N -0.891 107.907 108.800 -0.003 0.000 2.402 290 G HA2 -0.195 3.762 3.960 -0.005 0.000 0.216 290 G HA3 -0.195 3.762 3.960 -0.005 0.000 0.216 290 G C 1.382 176.295 174.900 0.022 0.000 1.162 290 G CA 1.398 46.518 45.100 0.035 0.000 0.777 290 G HN 0.570 nan 8.290 nan 0.000 0.539 291 T N -1.856 112.721 114.554 0.038 0.000 3.051 291 T HA 0.088 4.435 4.350 -0.005 0.000 0.269 291 T C 1.976 176.695 174.700 0.031 0.000 1.127 291 T CA 1.225 63.353 62.100 0.047 0.000 1.107 291 T CB 0.096 69.005 68.868 0.068 0.000 0.898 291 T HN 0.190 nan 8.240 nan 0.000 0.517 292 M N 0.007 119.605 119.600 -0.003 0.000 2.858 292 M HA 0.217 4.694 4.480 -0.005 0.000 0.255 292 M C 1.726 177.950 176.300 -0.127 0.000 1.336 292 M CA 0.755 56.021 55.300 -0.058 0.000 1.220 292 M CB -0.050 32.509 32.600 -0.067 0.000 1.252 292 M HN 0.054 nan 8.290 nan 0.000 0.538 293 Q N 0.655 120.341 119.800 -0.191 0.000 2.369 293 Q HA -0.053 4.284 4.340 -0.005 0.000 0.206 293 Q C 1.098 177.047 176.000 -0.084 0.000 0.963 293 Q CA 0.886 56.548 55.803 -0.236 0.000 0.894 293 Q CB 0.049 28.448 28.738 -0.565 0.000 0.965 293 Q HN 0.569 nan 8.270 nan 0.000 0.475 294 E N 0.131 120.313 120.200 -0.029 0.000 2.479 294 E HA 0.027 4.374 4.350 -0.005 0.000 0.193 294 E C 1.353 177.954 176.600 0.001 0.000 1.049 294 E CA -0.002 56.414 56.400 0.026 0.000 0.870 294 E CB 0.302 30.040 29.700 0.064 0.000 0.944 294 E HN 0.270 nan 8.360 nan 0.000 0.492 295 R N 0.136 120.622 120.500 -0.024 0.000 2.240 295 R HA 0.182 4.519 4.340 -0.005 0.000 0.203 295 R C 0.893 177.168 176.300 -0.042 0.000 1.011 295 R CA 0.323 56.406 56.100 -0.027 0.000 1.007 295 R CB 0.319 30.599 30.300 -0.032 0.000 0.911 295 R HN 0.019 nan 8.270 nan 0.000 0.468 296 I N 1.468 122.003 120.570 -0.057 0.000 2.241 296 I HA 0.113 4.280 4.170 -0.005 0.000 0.294 296 I C 0.030 176.114 176.117 -0.054 0.000 1.145 296 I CA 0.012 61.270 61.300 -0.070 0.000 1.261 296 I CB 0.857 38.793 38.000 -0.106 0.000 1.475 296 I HN -0.054 nan 8.210 nan 0.000 0.533 297 T N 2.512 117.037 114.554 -0.047 0.000 2.711 297 T HA 0.323 4.670 4.350 -0.005 0.000 0.302 297 T C -0.567 174.103 174.700 -0.049 0.000 1.373 297 T CA -0.369 61.704 62.100 -0.046 0.000 1.000 297 T CB 1.814 70.661 68.868 -0.035 0.000 1.483 297 T HN 0.268 nan 8.240 nan 0.000 0.499 298 T N 2.951 117.473 114.554 -0.053 0.000 2.729 298 T HA 0.521 4.868 4.350 -0.005 0.000 0.296 298 T C 0.609 175.276 174.700 -0.055 0.000 0.928 298 T CA -0.412 61.656 62.100 -0.053 0.000 1.045 298 T CB 0.511 69.347 68.868 -0.055 0.000 0.902 298 T HN 0.803 nan 8.240 nan 0.000 0.500 299 T N 1.060 115.584 114.554 -0.049 0.000 2.888 299 T HA 0.422 4.769 4.350 -0.005 0.000 0.283 299 T C 1.336 176.007 174.700 -0.048 0.000 1.013 299 T CA -0.967 61.103 62.100 -0.050 0.000 0.938 299 T CB 0.898 69.741 68.868 -0.042 0.000 1.298 299 T HN 0.182 nan 8.240 nan 0.000 0.580 300 K N 0.361 120.734 120.400 -0.046 0.000 2.155 300 K HA 0.068 4.385 4.320 -0.005 0.000 0.203 300 K C 2.086 178.665 176.600 -0.036 0.000 1.052 300 K CA 1.196 57.458 56.287 -0.041 0.000 0.948 300 K CB -0.282 32.196 32.500 -0.038 0.000 0.728 300 K HN 0.550 nan 8.250 nan 0.000 0.448 301 K N -0.451 119.927 120.400 -0.037 0.000 2.067 301 K HA 0.026 4.343 4.320 -0.005 0.000 0.203 301 K C 1.423 178.002 176.600 -0.036 0.000 1.048 301 K CA 1.038 57.303 56.287 -0.038 0.000 0.954 301 K CB 0.230 32.702 32.500 -0.047 0.000 0.737 301 K HN 0.207 nan 8.250 nan 0.000 0.444 302 G N -0.667 108.112 108.800 -0.035 0.000 2.793 302 G HA2 0.442 4.399 3.960 -0.005 0.000 0.248 302 G HA3 0.442 4.399 3.960 -0.005 0.000 0.248 302 G C -1.470 173.409 174.900 -0.034 0.000 1.198 302 G CA -0.252 44.829 45.100 -0.031 0.000 0.865 302 G HN 0.139 nan 8.290 nan 0.000 0.534 303 S N -1.189 114.491 115.700 -0.032 0.000 2.542 303 S HA 0.625 5.093 4.470 -0.005 0.000 0.276 303 S C -1.437 173.139 174.600 -0.039 0.000 1.148 303 S CA -0.692 57.483 58.200 -0.042 0.000 0.886 303 S CB 1.284 64.451 63.200 -0.054 0.000 1.109 303 S HN 0.744 nan 8.310 nan 0.000 0.458 304 I N 2.293 122.835 120.570 -0.046 0.000 2.362 304 I HA 0.417 4.585 4.170 -0.005 0.000 0.289 304 I C -0.416 175.647 176.117 -0.089 0.000 0.994 304 I CA -0.423 60.843 61.300 -0.056 0.000 1.158 304 I CB 2.131 40.106 38.000 -0.043 0.000 1.315 304 I HN 0.671 nan 8.210 nan 0.000 0.451 305 T N 3.970 118.457 114.554 -0.112 0.000 2.758 305 T HA 0.262 4.609 4.350 -0.005 0.000 0.285 305 T C -0.165 174.408 174.700 -0.211 0.000 0.981 305 T CA -0.452 61.564 62.100 -0.141 0.000 0.965 305 T CB 1.268 70.070 68.868 -0.111 0.000 0.927 305 T HN 0.487 nan 8.240 nan 0.000 0.448 306 S N 2.716 118.274 115.700 -0.236 0.000 2.437 306 S HA 0.550 5.017 4.470 -0.005 0.000 0.305 306 S C -0.213 174.181 174.600 -0.342 0.000 1.109 306 S CA -0.643 57.380 58.200 -0.295 0.000 1.099 306 S CB 0.466 63.521 63.200 -0.241 0.000 1.004 306 S HN 0.485 nan 8.310 nan 0.000 0.475 307 V N 6.205 125.872 119.914 -0.412 0.000 2.383 307 V HA 0.420 4.537 4.120 -0.005 0.000 0.275 307 V C -0.176 175.812 176.094 -0.176 0.000 1.036 307 V CA -0.430 61.692 62.300 -0.297 0.000 0.889 307 V CB 1.188 32.903 31.823 -0.181 0.000 0.985 307 V HN 0.836 nan 8.190 nan 0.000 0.459 308 Q N 3.098 122.784 119.800 -0.190 0.000 2.330 308 Q HA 0.702 5.039 4.340 -0.005 0.000 0.269 308 Q C -0.345 175.550 176.000 -0.174 0.000 1.022 308 Q CA -0.535 55.161 55.803 -0.178 0.000 0.796 308 Q CB 2.338 30.940 28.738 -0.228 0.000 1.271 308 Q HN 0.880 nan 8.270 nan 0.000 0.450 309 A N 4.049 126.808 122.820 -0.102 0.000 2.354 309 A HA 0.511 4.828 4.320 -0.005 0.000 0.281 309 A C -0.376 177.148 177.584 -0.099 0.000 1.174 309 A CA -0.296 51.687 52.037 -0.089 0.000 0.828 309 A CB -0.036 18.970 19.000 0.009 0.000 1.099 309 A HN 0.732 nan 8.150 nan 0.000 0.516 310 I N 2.037 122.484 120.570 -0.205 0.000 2.377 310 I HA 0.270 4.437 4.170 -0.005 0.000 0.293 310 I C -0.675 175.466 176.117 0.040 0.000 0.987 310 I CA -0.579 60.640 61.300 -0.134 0.000 1.185 310 I CB 1.421 39.198 38.000 -0.371 0.000 1.341 310 I HN 0.708 nan 8.210 nan 0.000 0.455 311 Y N 6.228 126.535 120.300 0.013 0.000 2.335 311 Y HA 0.549 5.096 4.550 -0.005 0.000 0.339 311 Y C -0.606 175.151 175.900 -0.239 0.000 0.987 311 Y CA -0.610 57.447 58.100 -0.071 0.000 1.140 311 Y CB 1.274 39.703 38.460 -0.051 0.000 1.173 311 Y HN 0.282 nan 8.280 nan 0.000 0.486 312 V N 8.950 128.605 119.914 -0.432 0.000 2.407 312 V HA 0.377 4.494 4.120 -0.005 0.000 0.278 312 V C -2.207 173.554 176.094 -0.556 0.000 1.037 312 V CA -1.973 60.136 62.300 -0.320 0.000 0.900 312 V CB 1.090 32.863 31.823 -0.084 0.000 0.983 312 V HN 0.701 nan 8.190 nan 0.000 0.459 313 P HA 0.356 nan 4.420 nan 0.000 0.284 313 P C 0.260 177.522 177.300 -0.063 0.000 1.253 313 P CA -0.029 62.982 63.100 -0.149 0.000 0.800 313 P CB 1.161 32.871 31.700 0.017 0.000 0.961 314 A N 2.831 125.633 122.820 -0.030 0.000 2.744 314 A HA -0.258 4.059 4.320 -0.005 0.000 0.300 314 A C 0.769 178.326 177.584 -0.046 0.000 1.512 314 A CA 1.161 53.188 52.037 -0.016 0.000 0.851 314 A CB -2.566 16.447 19.000 0.021 0.000 0.987 314 A HN 0.683 nan 8.150 nan 0.000 0.507 315 D N -1.066 119.272 120.400 -0.104 0.000 2.702 315 D HA -0.204 4.433 4.640 -0.005 0.000 0.233 315 D C -0.162 176.107 176.300 -0.051 0.000 1.164 315 D CA 1.963 55.905 54.000 -0.097 0.000 0.638 315 D CB -0.696 40.053 40.800 -0.085 0.000 1.041 315 D HN 0.914 nan 8.370 nan 0.000 0.422 316 D N 0.266 120.650 120.400 -0.027 0.000 2.427 316 D HA 0.230 4.867 4.640 -0.005 0.000 0.226 316 D C 1.321 177.639 176.300 0.031 0.000 1.076 316 D CA -0.559 53.445 54.000 0.006 0.000 0.849 316 D CB 0.556 41.375 40.800 0.031 0.000 1.052 316 D HN 0.069 nan 8.370 nan 0.000 0.515 317 L N 2.481 123.714 121.223 0.017 0.000 2.291 317 L HA -0.073 4.264 4.340 -0.005 0.000 0.214 317 L C 2.201 179.099 176.870 0.046 0.000 1.120 317 L CA 1.334 56.198 54.840 0.040 0.000 0.799 317 L CB -0.234 41.800 42.059 -0.042 0.000 0.925 317 L HN 0.515 nan 8.230 nan 0.000 0.446 318 T N -4.572 110.001 114.554 0.031 0.000 3.088 318 T HA -0.086 4.261 4.350 -0.005 0.000 0.259 318 T C 0.843 175.591 174.700 0.080 0.000 1.122 318 T CA -0.302 61.822 62.100 0.041 0.000 1.095 318 T CB -0.301 68.582 68.868 0.024 0.000 0.930 318 T HN 0.177 nan 8.240 nan 0.000 0.508 319 D N 2.967 123.430 120.400 0.105 0.000 2.533 319 D HA 0.016 4.653 4.640 -0.005 0.000 0.236 319 D C -1.526 174.861 176.300 0.144 0.000 1.137 319 D CA -1.377 52.722 54.000 0.166 0.000 0.867 319 D CB 1.486 42.404 40.800 0.197 0.000 1.170 319 D HN 0.044 nan 8.370 nan 0.000 0.474 320 P HA -0.164 nan 4.420 nan 0.000 0.217 320 P C 0.939 178.152 177.300 -0.144 0.000 1.148 320 P CA 1.774 64.872 63.100 -0.004 0.000 0.828 320 P CB 0.110 31.812 31.700 0.004 0.000 0.783 321 A N 0.635 123.289 122.820 -0.277 0.000 1.841 321 A HA -0.153 4.164 4.320 -0.005 0.000 0.216 321 A C -0.016 177.615 177.584 0.078 0.000 1.199 321 A CA 2.466 54.410 52.037 -0.154 0.000 0.621 321 A CB -2.333 16.763 19.000 0.160 0.000 0.835 321 A HN 0.229 nan 8.150 nan 0.000 0.445 322 P HA -0.031 nan 4.420 nan 0.000 0.221 322 P C 1.448 178.943 177.300 0.325 0.000 1.150 322 P CA 1.681 64.920 63.100 0.232 0.000 0.800 322 P CB -0.125 31.752 31.700 0.295 0.000 0.787 323 A N 0.109 123.062 122.820 0.222 0.000 1.930 323 A HA -0.102 4.215 4.320 -0.005 0.000 0.217 323 A C 2.229 179.920 177.584 0.179 0.000 1.175 323 A CA 2.116 54.272 52.037 0.198 0.000 0.627 323 A CB -1.766 17.299 19.000 0.108 0.000 0.815 323 A HN 0.184 nan 8.150 nan 0.000 0.443 324 T N -0.392 114.234 114.554 0.120 0.000 2.985 324 T HA -0.056 4.291 4.350 -0.005 0.000 0.266 324 T C 1.901 176.710 174.700 0.181 0.000 1.076 324 T CA 1.671 63.843 62.100 0.121 0.000 1.135 324 T CB -0.322 68.578 68.868 0.053 0.000 0.890 324 T HN 0.547 nan 8.240 nan 0.000 0.480 325 T N 1.604 116.241 114.554 0.138 0.000 2.812 325 T HA 0.051 4.398 4.350 -0.005 0.000 0.264 325 T C 1.510 176.256 174.700 0.076 0.000 1.042 325 T CA 0.695 62.839 62.100 0.075 0.000 1.140 325 T CB -0.460 68.390 68.868 -0.030 0.000 0.870 325 T HN 0.243 nan 8.240 nan 0.000 0.445 326 F N 1.883 121.890 119.950 0.095 0.000 2.269 326 F HA 0.070 4.594 4.527 -0.005 0.000 0.301 326 F C 2.550 178.377 175.800 0.044 0.000 1.082 326 F CA 0.434 58.479 58.000 0.076 0.000 1.360 326 F CB -0.595 38.449 39.000 0.074 0.000 1.041 326 F HN 0.137 nan 8.300 nan 0.000 0.512 327 A N -1.356 121.588 122.820 0.207 0.000 2.070 327 A HA -0.191 4.126 4.320 -0.005 0.000 0.220 327 A C 1.698 179.199 177.584 -0.138 0.000 1.159 327 A CA 1.599 53.648 52.037 0.021 0.000 0.656 327 A CB -0.824 18.152 19.000 -0.041 0.000 0.800 327 A HN 0.501 nan 8.150 nan 0.000 0.453 328 H N -1.680 117.408 119.070 0.031 0.000 2.652 328 H HA 0.316 4.869 4.556 -0.005 0.000 0.274 328 H C -0.367 174.933 175.328 -0.046 0.000 1.021 328 H CA -0.163 55.876 56.048 -0.015 0.000 1.187 328 H CB 0.260 29.999 29.762 -0.039 0.000 1.505 328 H HN 0.305 nan 8.280 nan 0.000 0.530 329 L N 1.496 122.751 121.223 0.054 0.000 2.265 329 L HA 0.126 4.463 4.340 -0.005 0.000 0.288 329 L C 0.382 177.264 176.870 0.021 0.000 1.058 329 L CA -0.073 54.755 54.840 -0.019 0.000 0.809 329 L CB 1.441 43.426 42.059 -0.124 0.000 1.179 329 L HN 0.037 nan 8.230 nan 0.000 0.429 330 D N 1.613 121.997 120.400 -0.027 0.000 2.355 330 D HA 0.266 4.903 4.640 -0.005 0.000 0.206 330 D C 0.287 176.587 176.300 -0.000 0.000 1.010 330 D CA 0.312 54.304 54.000 -0.012 0.000 0.875 330 D CB 0.639 41.415 40.800 -0.040 0.000 0.966 330 D HN 0.562 nan 8.370 nan 0.000 0.512 331 A N -0.009 122.791 122.820 -0.033 0.000 2.612 331 A HA 0.643 4.960 4.320 -0.005 0.000 0.293 331 A C -0.873 176.709 177.584 -0.004 0.000 1.075 331 A CA -0.803 51.235 52.037 0.001 0.000 0.680 331 A CB 1.194 20.187 19.000 -0.011 0.000 1.279 331 A HN 0.011 nan 8.150 nan 0.000 0.411 332 T N -1.319 113.297 114.554 0.105 0.000 2.887 332 T HA 0.788 5.135 4.350 -0.005 0.000 0.288 332 T C -0.639 174.183 174.700 0.204 0.000 1.021 332 T CA -0.577 61.628 62.100 0.176 0.000 1.000 332 T CB 1.769 70.864 68.868 0.378 0.000 1.034 332 T HN 0.684 nan 8.240 nan 0.000 0.467 333 T N 2.243 116.926 114.554 0.215 0.000 2.963 333 T HA 0.440 4.787 4.350 -0.005 0.000 0.328 333 T C -0.331 174.521 174.700 0.253 0.000 1.048 333 T CA -0.554 61.687 62.100 0.235 0.000 1.033 333 T CB 0.762 69.790 68.868 0.266 0.000 1.010 333 T HN 0.665 nan 8.240 nan 0.000 0.469 334 V N 5.229 125.287 119.914 0.240 0.000 2.408 334 V HA 0.336 4.453 4.120 -0.005 0.000 0.267 334 V C 0.219 176.404 176.094 0.152 0.000 1.047 334 V CA -0.643 61.793 62.300 0.226 0.000 0.937 334 V CB 0.588 32.495 31.823 0.140 0.000 0.999 334 V HN 0.745 nan 8.190 nan 0.000 0.472 335 L N 5.843 127.157 121.223 0.152 0.000 2.261 335 L HA 0.443 4.780 4.340 -0.005 0.000 0.289 335 L C 0.492 177.409 176.870 0.080 0.000 1.059 335 L CA 0.201 55.106 54.840 0.108 0.000 0.816 335 L CB 1.297 43.425 42.059 0.116 0.000 1.191 335 L HN 0.834 nan 8.230 nan 0.000 0.431 336 S N 2.993 118.718 115.700 0.041 0.000 2.503 336 S HA 0.482 4.949 4.470 -0.005 0.000 0.301 336 S C 0.910 175.510 174.600 -0.001 0.000 1.087 336 S CA -1.018 57.196 58.200 0.023 0.000 1.042 336 S CB 2.228 65.436 63.200 0.014 0.000 1.043 336 S HN 0.502 nan 8.310 nan 0.000 0.489 337 R N 1.780 122.286 120.500 0.010 0.000 2.083 337 R HA -0.109 4.228 4.340 -0.005 0.000 0.237 337 R C 2.488 178.783 176.300 -0.009 0.000 1.137 337 R CA 1.723 57.827 56.100 0.007 0.000 0.951 337 R CB -1.467 28.844 30.300 0.019 0.000 0.851 337 R HN 0.891 nan 8.270 nan 0.000 0.434 338 A N 1.522 124.338 122.820 -0.007 0.000 1.892 338 A HA -0.171 4.146 4.320 -0.005 0.000 0.218 338 A C 2.148 179.718 177.584 -0.023 0.000 1.188 338 A CA 1.441 53.473 52.037 -0.007 0.000 0.631 338 A CB -0.432 18.567 19.000 -0.001 0.000 0.822 338 A HN 0.121 nan 8.150 nan 0.000 0.447 339 I N -0.356 120.190 120.570 -0.040 0.000 2.439 339 I HA -0.157 4.010 4.170 -0.005 0.000 0.251 339 I C 2.848 178.869 176.117 -0.160 0.000 1.139 339 I CA 1.273 62.531 61.300 -0.070 0.000 1.438 339 I CB -1.524 36.441 38.000 -0.058 0.000 1.085 339 I HN 0.369 nan 8.210 nan 0.000 0.427 340 A N 0.383 123.085 122.820 -0.197 0.000 1.969 340 A HA -0.167 4.150 4.320 -0.005 0.000 0.218 340 A C 2.197 179.698 177.584 -0.139 0.000 1.169 340 A CA 1.222 53.048 52.037 -0.352 0.000 0.635 340 A CB -0.462 18.416 19.000 -0.204 0.000 0.810 340 A HN 0.434 nan 8.150 nan 0.000 0.445 341 E N -0.308 119.869 120.200 -0.039 0.000 2.216 341 E HA 0.009 4.356 4.350 -0.005 0.000 0.192 341 E C 1.720 178.334 176.600 0.023 0.000 0.988 341 E CA 0.430 56.843 56.400 0.021 0.000 0.834 341 E CB -0.142 29.570 29.700 0.020 0.000 0.772 341 E HN 0.596 nan 8.360 nan 0.000 0.479 342 L N -0.799 120.420 121.223 -0.006 0.000 2.217 342 L HA -0.020 4.317 4.340 -0.005 0.000 0.211 342 L C 1.657 178.537 176.870 0.018 0.000 1.107 342 L CA 1.028 55.867 54.840 -0.002 0.000 0.783 342 L CB -0.028 42.025 42.059 -0.010 0.000 0.919 342 L HN 0.418 nan 8.230 nan 0.000 0.442 343 G N -0.291 108.541 108.800 0.052 0.000 2.229 343 G HA2 -0.207 3.750 3.960 -0.005 0.000 0.189 343 G HA3 -0.207 3.750 3.960 -0.005 0.000 0.189 343 G C 0.060 175.150 174.900 0.316 0.000 1.000 343 G CA -0.510 44.733 45.100 0.237 0.000 0.663 343 G HN 0.125 nan 8.290 nan 0.000 0.493 344 I N 1.751 122.360 120.570 0.064 0.000 2.505 344 I HA 0.444 4.611 4.170 -0.005 0.000 0.287 344 I C -0.150 175.835 176.117 -0.220 0.000 1.104 344 I CA -0.039 61.293 61.300 0.054 0.000 1.387 344 I CB 0.078 38.086 38.000 0.013 0.000 1.404 344 I HN 0.134 nan 8.210 nan 0.000 0.528 345 Y N 7.659 127.952 120.300 -0.012 0.000 2.391 345 Y HA 0.451 4.998 4.550 -0.004 0.000 0.341 345 Y C -2.175 173.597 175.900 -0.213 0.000 0.965 345 Y CA -2.475 55.582 58.100 -0.071 0.000 1.067 345 Y CB 1.751 40.154 38.460 -0.095 0.000 1.199 345 Y HN 0.428 nan 8.280 nan 0.000 0.450 346 P HA 0.104 nan 4.420 nan 0.000 0.272 346 P C -0.426 176.900 177.300 0.043 0.000 1.223 346 P CA -0.289 62.953 63.100 0.238 0.000 0.784 346 P CB 1.107 33.054 31.700 0.412 0.000 0.923 347 A N 2.882 125.693 122.820 -0.015 0.000 2.958 347 A HA 0.256 4.573 4.320 -0.005 0.000 0.247 347 A C 0.363 177.939 177.584 -0.014 0.000 1.679 347 A CA -0.223 51.736 52.037 -0.131 0.000 1.345 347 A CB -1.325 17.573 19.000 -0.170 0.000 1.013 347 A HN 0.345 nan 8.150 nan 0.000 0.641 348 V N 0.961 120.887 119.914 0.019 0.000 2.465 348 V HA 0.144 4.261 4.120 -0.005 0.000 0.279 348 V C 0.263 176.376 176.094 0.032 0.000 1.045 348 V CA -0.847 61.485 62.300 0.053 0.000 0.938 348 V CB 1.537 33.407 31.823 0.079 0.000 0.986 348 V HN 0.579 nan 8.190 nan 0.000 0.467 349 D N 7.294 127.719 120.400 0.041 0.000 2.336 349 D HA 0.181 4.818 4.640 -0.005 0.000 0.249 349 D C -1.357 174.961 176.300 0.031 0.000 1.213 349 D CA -1.538 52.479 54.000 0.029 0.000 0.870 349 D CB 2.141 42.957 40.800 0.025 0.000 1.076 349 D HN 0.296 nan 8.370 nan 0.000 0.483 350 P HA -0.086 nan 4.420 nan 0.000 0.221 350 P C 1.437 178.740 177.300 0.005 0.000 1.150 350 P CA 0.709 63.813 63.100 0.006 0.000 0.800 350 P CB 0.477 32.174 31.700 -0.005 0.000 0.787 351 L N -1.317 119.912 121.223 0.010 0.000 2.463 351 L HA 0.159 4.496 4.340 -0.005 0.000 0.219 351 L C 2.060 178.935 176.870 0.008 0.000 1.088 351 L CA 0.619 55.462 54.840 0.006 0.000 0.849 351 L CB -0.627 41.436 42.059 0.007 0.000 1.012 351 L HN -0.125 nan 8.230 nan 0.000 0.468 352 D N -0.104 120.304 120.400 0.013 0.000 2.305 352 D HA -0.001 4.636 4.640 -0.005 0.000 0.206 352 D C 0.525 176.845 176.300 0.034 0.000 0.974 352 D CA 0.409 54.412 54.000 0.005 0.000 0.871 352 D CB 0.419 41.215 40.800 -0.006 0.000 0.947 352 D HN 0.005 nan 8.370 nan 0.000 0.516 353 S N 0.043 115.781 115.700 0.062 0.000 2.452 353 S HA 0.447 4.914 4.470 -0.005 0.000 0.284 353 S C 0.056 174.711 174.600 0.092 0.000 1.171 353 S CA -0.605 57.659 58.200 0.106 0.000 1.064 353 S CB 1.324 64.597 63.200 0.123 0.000 0.967 353 S HN 0.248 nan 8.310 nan 0.000 0.484 354 T N -0.078 114.543 114.554 0.111 0.000 2.916 354 T HA 0.775 5.122 4.350 -0.005 0.000 0.292 354 T C -0.451 174.312 174.700 0.104 0.000 1.055 354 T CA -0.886 61.269 62.100 0.092 0.000 1.009 354 T CB 1.831 70.745 68.868 0.076 0.000 1.118 354 T HN 0.357 nan 8.240 nan 0.000 0.497 355 S N -0.667 115.084 115.700 0.084 0.000 2.541 355 S HA 0.415 4.882 4.470 -0.005 0.000 0.280 355 S C 0.851 175.486 174.600 0.059 0.000 1.112 355 S CA -0.875 57.370 58.200 0.075 0.000 0.925 355 S CB 1.712 64.958 63.200 0.077 0.000 1.067 355 S HN 0.764 nan 8.310 nan 0.000 0.479 356 R N 1.908 122.436 120.500 0.046 0.000 2.120 356 R HA 0.010 4.347 4.340 -0.005 0.000 0.234 356 R C 1.563 177.874 176.300 0.019 0.000 1.123 356 R CA 1.850 57.969 56.100 0.032 0.000 0.975 356 R CB -0.435 29.877 30.300 0.021 0.000 0.866 356 R HN 0.801 nan 8.270 nan 0.000 0.446 357 I N -2.264 118.313 120.570 0.012 0.000 3.749 357 I HA 0.135 4.302 4.170 -0.005 0.000 0.314 357 I C 0.636 176.748 176.117 -0.009 0.000 1.267 357 I CA -0.102 61.193 61.300 -0.009 0.000 1.169 357 I CB -0.002 37.985 38.000 -0.021 0.000 1.009 357 I HN -0.081 nan 8.210 nan 0.000 0.444 358 M N 2.515 122.138 119.600 0.038 0.000 3.705 358 M HA 0.244 4.721 4.480 -0.005 0.000 0.191 358 M C -1.001 175.402 176.300 0.172 0.000 1.570 358 M CA 0.362 55.730 55.300 0.113 0.000 1.714 358 M CB -1.396 31.280 32.600 0.127 0.000 1.148 358 M HN 0.211 nan 8.290 nan 0.000 0.547 359 D N 1.023 121.441 120.400 0.029 0.000 2.896 359 D HA 0.417 5.054 4.640 -0.005 0.000 0.241 359 D C -2.004 174.150 176.300 -0.242 0.000 1.188 359 D CA -1.448 52.450 54.000 -0.169 0.000 0.879 359 D CB 2.304 43.038 40.800 -0.112 0.000 1.553 359 D HN 0.053 nan 8.370 nan 0.000 0.515 360 P HA -0.144 nan 4.420 nan 0.000 0.218 360 P C 0.391 177.607 177.300 -0.141 0.000 1.146 360 P CA 0.978 63.900 63.100 -0.297 0.000 0.813 360 P CB 0.428 31.889 31.700 -0.398 0.000 0.778 361 N N -0.616 117.996 118.700 -0.145 0.000 2.331 361 N HA -0.016 4.721 4.740 -0.005 0.000 0.180 361 N C 1.806 177.281 175.510 -0.058 0.000 1.019 361 N CA 0.893 53.892 53.050 -0.085 0.000 0.881 361 N CB -0.540 37.898 38.487 -0.082 0.000 0.972 361 N HN 0.276 nan 8.380 nan 0.000 0.435 362 I N -0.775 119.758 120.570 -0.062 0.000 2.726 362 I HA -0.045 4.122 4.170 -0.005 0.000 0.243 362 I C 1.908 178.002 176.117 -0.039 0.000 1.082 362 I CA 0.272 61.545 61.300 -0.046 0.000 1.447 362 I CB -0.259 37.713 38.000 -0.048 0.000 1.250 362 I HN -0.075 nan 8.210 nan 0.000 0.453 363 V N -0.596 119.282 119.914 -0.059 0.000 2.407 363 V HA 0.429 4.546 4.120 -0.005 0.000 0.245 363 V C 1.030 177.141 176.094 0.029 0.000 1.041 363 V CA 0.797 63.058 62.300 -0.066 0.000 1.040 363 V CB -1.442 30.206 31.823 -0.292 0.000 0.671 363 V HN 0.543 nan 8.190 nan 0.000 0.455 364 G N -1.210 107.615 108.800 0.042 0.000 2.347 364 G HA2 0.177 4.134 3.960 -0.005 0.000 0.321 364 G HA3 0.177 4.134 3.960 -0.005 0.000 0.321 364 G C 0.084 175.047 174.900 0.104 0.000 1.412 364 G CA 0.164 45.309 45.100 0.076 0.000 0.990 364 G HN 0.156 nan 8.290 nan 0.000 0.637 365 S N -1.115 114.639 115.700 0.089 0.000 2.371 365 S HA -0.066 4.401 4.470 -0.005 0.000 0.224 365 S C 1.907 176.601 174.600 0.158 0.000 1.029 365 S CA 2.185 60.448 58.200 0.104 0.000 0.978 365 S CB -0.242 62.998 63.200 0.066 0.000 0.833 365 S HN 0.642 nan 8.310 nan 0.000 0.466 366 E N -0.242 120.040 120.200 0.137 0.000 2.028 366 E HA -0.224 4.123 4.350 -0.005 0.000 0.191 366 E C 1.918 178.618 176.600 0.167 0.000 0.988 366 E CA 1.339 57.815 56.400 0.126 0.000 0.799 366 E CB -0.375 29.379 29.700 0.089 0.000 0.755 366 E HN 0.750 nan 8.360 nan 0.000 0.447 367 H N -1.435 117.693 119.070 0.095 0.000 2.357 367 H HA -0.250 4.303 4.556 -0.005 0.000 0.296 367 H C 2.003 177.393 175.328 0.104 0.000 1.108 367 H CA 2.041 58.143 56.048 0.089 0.000 1.273 367 H CB -0.098 29.717 29.762 0.088 0.000 1.367 367 H HN 0.291 nan 8.280 nan 0.000 0.498 368 Y N 1.359 121.774 120.300 0.192 0.000 2.133 368 Y HA -0.218 4.329 4.550 -0.005 0.000 0.287 368 Y C 2.149 178.096 175.900 0.078 0.000 1.134 368 Y CA 1.944 60.107 58.100 0.105 0.000 1.133 368 Y CB -0.277 38.215 38.460 0.054 0.000 0.987 368 Y HN 0.310 nan 8.280 nan 0.000 0.502 369 D N -0.724 119.722 120.400 0.077 0.000 2.219 369 D HA -0.139 4.498 4.640 -0.005 0.000 0.205 369 D C 2.272 178.542 176.300 -0.050 0.000 0.970 369 D CA 1.459 55.442 54.000 -0.028 0.000 0.851 369 D CB 0.055 40.896 40.800 0.070 0.000 0.943 369 D HN 0.325 nan 8.370 nan 0.000 0.488 370 V N 1.545 121.456 119.914 -0.005 0.000 2.407 370 V HA -0.146 3.971 4.120 -0.005 0.000 0.245 370 V C 2.591 178.649 176.094 -0.058 0.000 1.041 370 V CA 1.542 63.836 62.300 -0.011 0.000 1.040 370 V CB -0.564 31.263 31.823 0.007 0.000 0.671 370 V HN 0.134 nan 8.190 nan 0.000 0.455 371 A N 0.060 122.843 122.820 -0.062 0.000 1.873 371 A HA -0.168 4.149 4.320 -0.005 0.000 0.215 371 A C 2.370 179.868 177.584 -0.143 0.000 1.186 371 A CA 1.354 53.334 52.037 -0.094 0.000 0.616 371 A CB -0.433 18.570 19.000 0.006 0.000 0.823 371 A HN 0.372 nan 8.150 nan 0.000 0.442 372 R N -0.587 119.779 120.500 -0.223 0.000 2.096 372 R HA -0.106 4.231 4.340 -0.005 0.000 0.235 372 R C 2.364 178.584 176.300 -0.133 0.000 1.127 372 R CA 1.281 57.240 56.100 -0.235 0.000 0.968 372 R CB -1.298 28.760 30.300 -0.404 0.000 0.861 372 R HN 0.544 nan 8.270 nan 0.000 0.440 373 G N 0.453 109.192 108.800 -0.103 0.000 2.418 373 G HA2 -0.203 3.754 3.960 -0.005 0.000 0.217 373 G HA3 -0.203 3.754 3.960 -0.005 0.000 0.217 373 G C 1.561 176.439 174.900 -0.036 0.000 1.158 373 G CA 0.742 45.812 45.100 -0.051 0.000 0.771 373 G HN 0.172 nan 8.290 nan 0.000 0.545 374 V N 0.322 120.206 119.914 -0.051 0.000 2.427 374 V HA -0.208 3.909 4.120 -0.005 0.000 0.248 374 V C 2.884 178.949 176.094 -0.049 0.000 1.051 374 V CA 2.075 64.347 62.300 -0.047 0.000 1.048 374 V CB -0.470 31.272 31.823 -0.135 0.000 0.666 374 V HN 0.419 nan 8.190 nan 0.000 0.456 375 Q N -0.273 119.487 119.800 -0.067 0.000 2.084 375 Q HA -0.253 4.084 4.340 -0.005 0.000 0.202 375 Q C 2.403 178.387 176.000 -0.025 0.000 0.978 375 Q CA 1.786 57.560 55.803 -0.049 0.000 0.844 375 Q CB -0.192 28.508 28.738 -0.064 0.000 0.898 375 Q HN 0.558 nan 8.270 nan 0.000 0.426 376 K N 0.831 121.213 120.400 -0.029 0.000 2.057 376 K HA -0.103 4.214 4.320 -0.005 0.000 0.206 376 K C 1.946 178.552 176.600 0.010 0.000 1.050 376 K CA 0.761 57.041 56.287 -0.011 0.000 0.935 376 K CB -0.072 32.417 32.500 -0.018 0.000 0.715 376 K HN 0.174 nan 8.250 nan 0.000 0.439 377 I N 0.984 121.560 120.570 0.010 0.000 2.614 377 I HA -0.216 3.951 4.170 -0.005 0.000 0.258 377 I C 1.632 177.782 176.117 0.055 0.000 1.189 377 I CA 0.751 62.068 61.300 0.028 0.000 1.462 377 I CB 0.218 38.227 38.000 0.015 0.000 1.092 377 I HN 0.208 nan 8.210 nan 0.000 0.442 378 L N -0.414 120.836 121.223 0.045 0.000 2.209 378 L HA -0.098 4.239 4.340 -0.005 0.000 0.207 378 L C 2.410 179.352 176.870 0.121 0.000 1.094 378 L CA 0.772 55.660 54.840 0.080 0.000 0.790 378 L CB -0.329 41.752 42.059 0.038 0.000 0.932 378 L HN 0.198 nan 8.230 nan 0.000 0.447 379 Q N -0.152 119.688 119.800 0.067 0.000 2.079 379 Q HA -0.201 4.136 4.340 -0.005 0.000 0.200 379 Q C 1.640 177.672 176.000 0.053 0.000 0.974 379 Q CA 1.443 57.276 55.803 0.049 0.000 0.840 379 Q CB 0.050 28.800 28.738 0.021 0.000 0.898 379 Q HN 0.418 nan 8.270 nan 0.000 0.430 380 D N -0.319 120.118 120.400 0.061 0.000 2.149 380 D HA -0.185 4.452 4.640 -0.005 0.000 0.198 380 D C 1.528 177.877 176.300 0.081 0.000 0.990 380 D CA 0.977 55.011 54.000 0.056 0.000 0.839 380 D CB -0.275 40.557 40.800 0.054 0.000 0.948 380 D HN 0.264 nan 8.370 nan 0.000 0.460 381 Y N 1.764 122.061 120.300 -0.004 0.000 2.181 381 Y HA -0.177 4.370 4.550 -0.005 0.000 0.288 381 Y C 2.001 177.899 175.900 -0.004 0.000 1.146 381 Y CA 1.586 59.684 58.100 -0.002 0.000 1.164 381 Y CB 0.039 38.499 38.460 0.000 0.000 0.982 381 Y HN -0.152 nan 8.280 nan 0.000 0.515 382 K N -0.941 119.452 120.400 -0.012 0.000 2.097 382 K HA -0.142 4.175 4.320 -0.005 0.000 0.205 382 K C 2.448 178.987 176.600 -0.101 0.000 1.050 382 K CA 1.267 57.499 56.287 -0.092 0.000 0.938 382 K CB -0.325 32.177 32.500 0.002 0.000 0.718 382 K HN 0.178 nan 8.250 nan 0.000 0.442 383 S N 0.673 116.340 115.700 -0.054 0.000 2.447 383 S HA 0.020 4.487 4.470 -0.005 0.000 0.233 383 S C 1.494 176.056 174.600 -0.064 0.000 1.006 383 S CA 0.689 58.862 58.200 -0.045 0.000 0.957 383 S CB 0.088 63.277 63.200 -0.018 0.000 0.773 383 S HN 0.184 nan 8.310 nan 0.000 0.507 384 L N 0.717 121.881 121.223 -0.098 0.000 2.693 384 L HA 0.278 4.615 4.340 -0.005 0.000 0.235 384 L C 2.248 179.021 176.870 -0.162 0.000 1.127 384 L CA 0.038 54.817 54.840 -0.102 0.000 0.914 384 L CB -0.161 41.858 42.059 -0.067 0.000 1.193 384 L HN 0.309 nan 8.230 nan 0.000 0.502 385 Q N 0.789 120.451 119.800 -0.229 0.000 2.084 385 Q HA -0.233 4.104 4.340 -0.005 0.000 0.202 385 Q C 1.117 177.031 176.000 -0.144 0.000 0.978 385 Q CA 1.976 57.625 55.803 -0.257 0.000 0.844 385 Q CB 0.227 28.801 28.738 -0.273 0.000 0.898 385 Q HN 0.456 nan 8.270 nan 0.000 0.426 386 D N 0.311 120.650 120.400 -0.103 0.000 2.183 386 D HA -0.107 4.530 4.640 -0.005 0.000 0.203 386 D C 1.820 178.086 176.300 -0.057 0.000 0.969 386 D CA 0.679 54.638 54.000 -0.068 0.000 0.842 386 D CB -0.024 40.744 40.800 -0.053 0.000 0.957 386 D HN 0.315 nan 8.370 nan 0.000 0.484 387 I N 0.525 121.059 120.570 -0.060 0.000 2.546 387 I HA -0.106 4.061 4.170 -0.005 0.000 0.255 387 I C 2.338 178.429 176.117 -0.044 0.000 1.163 387 I CA 0.560 61.833 61.300 -0.045 0.000 1.457 387 I CB -0.685 37.292 38.000 -0.039 0.000 1.092 387 I HN 0.033 nan 8.210 nan 0.000 0.434 388 I N 1.125 121.657 120.570 -0.063 0.000 2.233 388 I HA -0.196 3.971 4.170 -0.005 0.000 0.243 388 I C 2.689 178.782 176.117 -0.040 0.000 1.093 388 I CA 1.285 62.552 61.300 -0.054 0.000 1.380 388 I CB -0.245 37.706 38.000 -0.082 0.000 1.067 388 I HN 0.098 nan 8.210 nan 0.000 0.413 389 A N -0.038 122.754 122.820 -0.048 0.000 2.014 389 A HA 0.048 4.365 4.320 -0.005 0.000 0.218 389 A C 1.225 178.794 177.584 -0.025 0.000 1.163 389 A CA 1.157 53.174 52.037 -0.034 0.000 0.652 389 A CB -0.187 18.789 19.000 -0.038 0.000 0.808 389 A HN 0.368 nan 8.150 nan 0.000 0.449 390 I N -0.123 120.431 120.570 -0.027 0.000 2.871 390 I HA 0.295 4.462 4.170 -0.005 0.000 0.284 390 I C 0.098 176.204 176.117 -0.018 0.000 1.390 390 I CA 0.179 61.467 61.300 -0.020 0.000 0.958 390 I CB 1.533 39.521 38.000 -0.020 0.000 1.618 390 I HN 0.195 nan 8.210 nan 0.000 0.595 391 L N 1.997 123.211 121.223 -0.015 0.000 1.381 391 L HA 0.474 4.811 4.340 -0.005 0.000 0.129 391 L C 0.002 176.867 176.870 -0.009 0.000 1.359 391 L CA 0.992 55.824 54.840 -0.012 0.000 1.203 391 L CB 0.253 42.303 42.059 -0.014 0.000 2.498 391 L HN 0.373 nan 8.230 nan 0.000 0.478 392 G N 1.310 110.105 108.800 -0.008 0.000 2.789 392 G HA2 -0.040 3.917 3.960 -0.005 0.000 0.353 392 G HA3 -0.040 3.917 3.960 -0.005 0.000 0.353 392 G C 0.160 175.059 174.900 -0.002 0.000 1.220 392 G CA 0.268 45.365 45.100 -0.004 0.000 1.204 392 G HN 0.197 nan 8.290 nan 0.000 0.574 393 M N 1.215 120.815 119.600 -0.000 0.000 2.128 393 M HA -0.126 4.351 4.480 -0.005 0.000 0.253 393 M C 1.664 177.969 176.300 0.007 0.000 1.079 393 M CA 2.711 58.014 55.300 0.004 0.000 1.082 393 M CB -0.099 32.507 32.600 0.009 0.000 1.335 393 M HN 0.515 nan 8.290 nan 0.000 0.401 394 D N -0.439 119.965 120.400 0.007 0.000 2.336 394 D HA -0.046 4.591 4.640 -0.005 0.000 0.229 394 D C 1.000 177.303 176.300 0.006 0.000 1.061 394 D CA 0.387 54.392 54.000 0.008 0.000 0.875 394 D CB 0.008 40.812 40.800 0.007 0.000 0.904 394 D HN 0.518 nan 8.370 nan 0.000 0.525 395 E N 0.263 120.466 120.200 0.004 0.000 2.538 395 E HA 0.131 4.478 4.350 -0.005 0.000 0.207 395 E C 0.536 177.137 176.600 0.002 0.000 1.002 395 E CA -0.194 56.208 56.400 0.002 0.000 0.952 395 E CB 0.967 30.667 29.700 -0.000 0.000 1.031 395 E HN 0.308 nan 8.360 nan 0.000 0.476 396 L N 1.811 123.037 121.223 0.004 0.000 2.439 396 L HA 0.057 4.394 4.340 -0.005 0.000 0.269 396 L C 1.191 178.066 176.870 0.008 0.000 1.179 396 L CA -0.182 54.662 54.840 0.006 0.000 0.828 396 L CB 0.629 42.694 42.059 0.010 0.000 1.106 396 L HN -0.017 nan 8.230 nan 0.000 0.467 397 S N 0.900 116.604 115.700 0.008 0.000 2.606 397 S HA 0.064 4.531 4.470 -0.005 0.000 0.257 397 S C 0.893 175.499 174.600 0.011 0.000 1.327 397 S CA -0.473 57.732 58.200 0.008 0.000 0.984 397 S CB 0.693 63.897 63.200 0.007 0.000 0.941 397 S HN 0.697 nan 8.310 nan 0.000 0.576 398 E N 0.808 121.015 120.200 0.011 0.000 2.097 398 E HA -0.202 4.145 4.350 -0.005 0.000 0.196 398 E C 1.965 178.574 176.600 0.014 0.000 1.000 398 E CA 1.832 58.239 56.400 0.012 0.000 0.804 398 E CB -0.202 29.505 29.700 0.010 0.000 0.740 398 E HN 0.770 nan 8.360 nan 0.000 0.454 399 E N 0.274 120.481 120.200 0.013 0.000 2.285 399 E HA -0.123 4.224 4.350 -0.005 0.000 0.194 399 E C 1.171 177.781 176.600 0.018 0.000 0.997 399 E CA 0.631 57.039 56.400 0.014 0.000 0.845 399 E CB 0.127 29.834 29.700 0.011 0.000 0.782 399 E HN 0.181 nan 8.360 nan 0.000 0.491 400 D N 0.506 120.916 120.400 0.018 0.000 2.240 400 D HA -0.005 4.632 4.640 -0.005 0.000 0.206 400 D C 1.507 177.824 176.300 0.030 0.000 0.963 400 D CA 0.687 54.700 54.000 0.022 0.000 0.863 400 D CB 0.207 41.015 40.800 0.014 0.000 0.973 400 D HN -0.019 nan 8.370 nan 0.000 0.501 401 K N 0.016 120.432 120.400 0.026 0.000 2.057 401 K HA -0.058 4.259 4.320 -0.005 0.000 0.206 401 K C 1.867 178.489 176.600 0.036 0.000 1.050 401 K CA 0.480 56.785 56.287 0.031 0.000 0.935 401 K CB 0.002 32.517 32.500 0.025 0.000 0.715 401 K HN 0.021 nan 8.250 nan 0.000 0.439 402 L N 1.106 122.347 121.223 0.030 0.000 2.005 402 L HA -0.159 4.178 4.340 -0.005 0.000 0.207 402 L C 2.298 179.185 176.870 0.028 0.000 1.072 402 L CA 1.998 56.853 54.840 0.026 0.000 0.744 402 L CB -0.797 41.274 42.059 0.020 0.000 0.895 402 L HN 0.306 nan 8.230 nan 0.000 0.433 403 T N -4.121 110.452 114.554 0.033 0.000 2.881 403 T HA -0.130 4.217 4.350 -0.005 0.000 0.270 403 T C 1.859 176.598 174.700 0.065 0.000 1.068 403 T CA 1.268 63.391 62.100 0.038 0.000 1.131 403 T CB -0.943 67.948 68.868 0.040 0.000 0.871 403 T HN 0.148 nan 8.240 nan 0.000 0.479 404 V N 2.711 122.679 119.914 0.090 0.000 2.270 404 V HA -0.163 3.954 4.120 -0.005 0.000 0.245 404 V C 3.176 179.326 176.094 0.094 0.000 1.043 404 V CA 2.083 64.479 62.300 0.160 0.000 1.014 404 V CB -0.924 30.990 31.823 0.152 0.000 0.645 404 V HN 0.765 nan 8.190 nan 0.000 0.447 405 S N 0.175 115.908 115.700 0.055 0.000 2.402 405 S HA -0.177 4.290 4.470 -0.005 0.000 0.229 405 S C 2.038 176.631 174.600 -0.011 0.000 1.021 405 S CA 1.100 59.316 58.200 0.027 0.000 0.974 405 S CB -0.437 62.783 63.200 0.034 0.000 0.800 405 S HN 0.550 nan 8.310 nan 0.000 0.484 406 R N 1.236 121.725 120.500 -0.017 0.000 2.090 406 R HA 0.183 4.520 4.340 -0.005 0.000 0.228 406 R C 2.740 178.983 176.300 -0.094 0.000 1.110 406 R CA 1.111 57.178 56.100 -0.055 0.000 0.973 406 R CB -0.661 29.619 30.300 -0.033 0.000 0.869 406 R HN 0.560 nan 8.270 nan 0.000 0.440 407 A N 1.316 124.087 122.820 -0.083 0.000 1.930 407 A HA -0.146 4.171 4.320 -0.005 0.000 0.217 407 A C 2.015 179.433 177.584 -0.278 0.000 1.175 407 A CA 1.056 53.003 52.037 -0.149 0.000 0.627 407 A CB -0.288 18.643 19.000 -0.115 0.000 0.815 407 A HN 0.208 nan 8.150 nan 0.000 0.443 408 R N -0.169 120.158 120.500 -0.288 0.000 2.092 408 R HA -0.079 4.258 4.340 -0.005 0.000 0.231 408 R C 1.834 178.047 176.300 -0.145 0.000 1.119 408 R CA 1.503 57.439 56.100 -0.274 0.000 0.970 408 R CB -0.264 29.939 30.300 -0.162 0.000 0.864 408 R HN 0.482 nan 8.270 nan 0.000 0.440 409 K N 0.204 120.517 120.400 -0.145 0.000 2.365 409 K HA 0.028 4.345 4.320 -0.005 0.000 0.199 409 K C 1.871 178.270 176.600 -0.334 0.000 1.045 409 K CA 0.532 56.678 56.287 -0.235 0.000 0.962 409 K CB 0.180 32.442 32.500 -0.397 0.000 0.759 409 K HN 0.101 nan 8.250 nan 0.000 0.469 410 I N 1.894 122.357 120.570 -0.179 0.000 2.277 410 I HA -0.231 3.936 4.170 -0.005 0.000 0.243 410 I C 2.565 178.765 176.117 0.139 0.000 1.094 410 I CA 1.506 62.807 61.300 0.001 0.000 1.393 410 I CB -1.012 37.030 38.000 0.070 0.000 1.078 410 I HN 0.302 nan 8.210 nan 0.000 0.417 411 Q N 0.598 120.417 119.800 0.032 0.000 2.364 411 Q HA -0.110 4.227 4.340 -0.005 0.000 0.207 411 Q C 1.903 177.962 176.000 0.098 0.000 0.970 411 Q CA 0.814 56.648 55.803 0.052 0.000 0.888 411 Q CB -0.204 28.509 28.738 -0.040 0.000 0.951 411 Q HN 0.390 nan 8.270 nan 0.000 0.469 412 R N -0.272 120.295 120.500 0.111 0.000 2.119 412 R HA -0.010 4.327 4.340 -0.005 0.000 0.222 412 R C 1.696 178.145 176.300 0.249 0.000 1.088 412 R CA 0.768 56.998 56.100 0.217 0.000 0.984 412 R CB -0.457 29.990 30.300 0.245 0.000 0.884 412 R HN 0.286 nan 8.270 nan 0.000 0.447 413 F N 1.741 121.687 119.950 -0.007 0.000 2.661 413 F HA 0.085 4.609 4.527 -0.005 0.000 0.298 413 F C 1.841 177.671 175.800 0.050 0.000 1.137 413 F CA 0.340 58.271 58.000 -0.116 0.000 1.454 413 F CB -0.091 38.580 39.000 -0.548 0.000 1.103 413 F HN -0.141 nan 8.300 nan 0.000 0.577 414 L N -0.685 120.656 121.223 0.196 0.000 2.093 414 L HA -0.138 4.199 4.340 -0.005 0.000 0.208 414 L C 1.259 178.115 176.870 -0.023 0.000 1.085 414 L CA 0.406 55.338 54.840 0.153 0.000 0.755 414 L CB -1.085 41.059 42.059 0.141 0.000 0.904 414 L HN -0.121 nan 8.230 nan 0.000 0.435 415 S N 0.440 116.126 115.700 -0.024 0.000 2.558 415 S HA 0.106 4.573 4.470 -0.005 0.000 0.288 415 S C -0.067 174.388 174.600 -0.243 0.000 1.318 415 S CA 0.084 58.218 58.200 -0.109 0.000 1.056 415 S CB 0.917 64.071 63.200 -0.077 0.000 0.853 415 S HN 0.261 nan 8.310 nan 0.000 0.505 416 Q N 2.001 121.596 119.800 -0.341 0.000 2.281 416 Q HA 0.332 4.669 4.340 -0.005 0.000 0.263 416 Q C -2.971 172.668 176.000 -0.601 0.000 0.989 416 Q CA -1.938 53.624 55.803 -0.402 0.000 0.852 416 Q CB 2.097 30.646 28.738 -0.315 0.000 1.337 416 Q HN 0.325 nan 8.270 nan 0.000 0.418 417 P HA 0.259 nan 4.420 nan 0.000 0.275 417 P C -1.099 176.062 177.300 -0.231 0.000 1.228 417 P CA -0.137 62.757 63.100 -0.344 0.000 0.786 417 P CB 0.508 32.104 31.700 -0.175 0.000 0.927 418 F N 0.743 120.685 119.950 -0.013 0.000 2.469 418 F HA 0.321 4.845 4.527 -0.005 0.000 0.332 418 F C 1.984 177.792 175.800 0.014 0.000 1.103 418 F CA -0.569 57.432 58.000 0.002 0.000 0.979 418 F CB 1.213 40.218 39.000 0.008 0.000 1.137 418 F HN 0.348 nan 8.300 nan 0.000 0.463 419 Q N 1.461 121.403 119.800 0.236 0.000 2.020 419 Q HA -0.119 4.218 4.340 -0.005 0.000 0.202 419 Q C 2.097 178.160 176.000 0.104 0.000 0.982 419 Q CA 1.717 57.594 55.803 0.124 0.000 0.838 419 Q CB -0.258 28.529 28.738 0.082 0.000 0.899 419 Q HN 0.573 nan 8.270 nan 0.000 0.423 420 V N 1.143 121.109 119.914 0.088 0.000 2.317 420 V HA -0.265 3.852 4.120 -0.005 0.000 0.251 420 V C 1.347 177.517 176.094 0.127 0.000 1.065 420 V CA 1.701 64.042 62.300 0.068 0.000 1.049 420 V CB -0.675 31.153 31.823 0.008 0.000 0.651 420 V HN 0.353 nan 8.190 nan 0.000 0.450 421 A N -0.754 122.171 122.820 0.175 0.000 3.126 421 A HA 0.280 4.597 4.320 -0.005 0.000 0.268 421 A C 1.297 178.985 177.584 0.174 0.000 1.605 421 A CA -0.148 52.021 52.037 0.221 0.000 1.305 421 A CB -0.303 18.813 19.000 0.193 0.000 1.160 421 A HN 0.557 nan 8.150 nan 0.000 0.609 422 E N -0.196 120.079 120.200 0.125 0.000 2.340 422 E HA -0.022 4.325 4.350 -0.005 0.000 0.198 422 E C 1.403 178.019 176.600 0.027 0.000 0.961 422 E CA 0.439 56.880 56.400 0.068 0.000 0.905 422 E CB 0.336 30.058 29.700 0.037 0.000 0.884 422 E HN 0.507 nan 8.360 nan 0.000 0.491 423 V N 0.776 120.692 119.914 0.004 0.000 2.427 423 V HA -0.205 3.912 4.120 -0.005 0.000 0.248 423 V C 1.674 177.632 176.094 -0.227 0.000 1.051 423 V CA 1.610 63.824 62.300 -0.144 0.000 1.048 423 V CB -0.427 31.252 31.823 -0.240 0.000 0.666 423 V HN 0.167 nan 8.190 nan 0.000 0.456 424 F N 0.963 120.905 119.950 -0.012 0.000 2.148 424 F HA -0.080 4.445 4.527 -0.003 0.000 0.285 424 F C 2.901 178.696 175.800 -0.009 0.000 1.092 424 F CA 1.666 59.658 58.000 -0.013 0.000 1.218 424 F CB -1.206 37.785 39.000 -0.014 0.000 1.059 424 F HN 0.184 nan 8.300 nan 0.000 0.490 425 T N -2.432 112.251 114.554 0.216 0.000 2.777 425 T HA 0.106 4.453 4.350 -0.005 0.000 0.266 425 T C 2.017 176.776 174.700 0.099 0.000 1.040 425 T CA 1.329 63.525 62.100 0.159 0.000 1.141 425 T CB -0.784 68.174 68.868 0.150 0.000 0.868 425 T HN 0.587 nan 8.240 nan 0.000 0.444 426 G N 0.825 109.635 108.800 0.017 0.000 2.225 426 G HA2 -0.237 3.720 3.960 -0.005 0.000 0.254 426 G HA3 -0.237 3.720 3.960 -0.005 0.000 0.254 426 G C 0.005 174.776 174.900 -0.215 0.000 0.988 426 G CA 0.358 45.386 45.100 -0.120 0.000 0.625 426 G HN 0.840 nan 8.290 nan 0.000 0.527 427 H N -0.705 118.361 119.070 -0.007 0.000 2.482 427 H HA 0.632 5.186 4.556 -0.004 0.000 0.344 427 H C 0.369 175.689 175.328 -0.013 0.000 1.151 427 H CA -0.727 55.310 56.048 -0.019 0.000 1.300 427 H CB 1.492 31.231 29.762 -0.038 0.000 1.494 427 H HN 0.227 nan 8.280 nan 0.000 0.542 428 L N 1.745 123.030 121.223 0.104 0.000 2.453 428 L HA 0.241 4.578 4.340 -0.005 0.000 0.272 428 L C 0.809 177.709 176.870 0.050 0.000 1.182 428 L CA 0.436 55.308 54.840 0.054 0.000 0.858 428 L CB 0.282 42.362 42.059 0.035 0.000 1.120 428 L HN 0.797 nan 8.230 nan 0.000 0.474 429 G N 4.042 112.873 108.800 0.053 0.000 2.448 429 G HA2 0.461 4.418 3.960 -0.005 0.000 0.285 429 G HA3 0.461 4.418 3.960 -0.005 0.000 0.285 429 G C -0.868 174.063 174.900 0.053 0.000 1.176 429 G CA -0.625 44.516 45.100 0.068 0.000 0.852 429 G HN 0.491 nan 8.290 nan 0.000 0.530 430 K N 1.266 121.703 120.400 0.061 0.000 2.378 430 K HA 0.377 4.694 4.320 -0.005 0.000 0.252 430 K C -1.376 175.262 176.600 0.064 0.000 0.931 430 K CA -0.903 55.407 56.287 0.039 0.000 0.794 430 K CB 2.720 35.217 32.500 -0.004 0.000 1.181 430 K HN 0.310 nan 8.250 nan 0.000 0.425 431 L N 3.712 124.960 121.223 0.042 0.000 2.324 431 L HA 0.327 4.664 4.340 -0.005 0.000 0.274 431 L C -1.119 175.765 176.870 0.023 0.000 1.012 431 L CA -0.699 54.164 54.840 0.039 0.000 0.859 431 L CB 1.219 43.293 42.059 0.025 0.000 1.224 431 L HN 0.254 nan 8.230 nan 0.000 0.429 432 V N 7.638 127.565 119.914 0.023 0.000 2.368 432 V HA 0.297 4.414 4.120 -0.005 0.000 0.266 432 V C -1.819 174.292 176.094 0.028 0.000 1.045 432 V CA -1.350 60.961 62.300 0.018 0.000 0.899 432 V CB 0.943 32.764 31.823 -0.004 0.000 1.006 432 V HN 0.663 nan 8.190 nan 0.000 0.470 433 P HA 0.040 nan 4.420 nan 0.000 0.269 433 P C 0.842 178.168 177.300 0.044 0.000 1.217 433 P CA -0.326 62.791 63.100 0.028 0.000 0.783 433 P CB 0.692 32.405 31.700 0.022 0.000 0.898 434 L N 2.966 124.219 121.223 0.050 0.000 1.971 434 L HA -0.225 4.112 4.340 -0.005 0.000 0.215 434 L C 1.819 178.716 176.870 0.045 0.000 1.072 434 L CA 2.124 57.001 54.840 0.062 0.000 0.758 434 L CB -0.932 41.179 42.059 0.088 0.000 0.889 434 L HN 0.265 nan 8.230 nan 0.000 0.433 435 K N -0.753 119.675 120.400 0.047 0.000 2.288 435 K HA -0.091 4.226 4.320 -0.005 0.000 0.201 435 K C 1.905 178.539 176.600 0.058 0.000 1.048 435 K CA 0.927 57.238 56.287 0.041 0.000 0.956 435 K CB -0.103 32.424 32.500 0.044 0.000 0.746 435 K HN 0.435 nan 8.250 nan 0.000 0.461 436 E N 0.374 120.615 120.200 0.068 0.000 2.077 436 E HA -0.139 4.208 4.350 -0.005 0.000 0.193 436 E C 1.941 178.630 176.600 0.148 0.000 0.989 436 E CA 1.458 57.914 56.400 0.094 0.000 0.800 436 E CB -0.185 29.564 29.700 0.082 0.000 0.746 436 E HN 0.315 nan 8.360 nan 0.000 0.452 437 T N 1.900 116.541 114.554 0.145 0.000 2.737 437 T HA -0.089 4.258 4.350 -0.005 0.000 0.265 437 T C 2.215 177.091 174.700 0.294 0.000 1.038 437 T CA 0.997 63.246 62.100 0.248 0.000 1.144 437 T CB -0.273 68.689 68.868 0.157 0.000 0.866 437 T HN 0.095 nan 8.240 nan 0.000 0.434 438 I N 0.934 121.561 120.570 0.095 0.000 2.127 438 I HA -0.202 3.965 4.170 -0.005 0.000 0.241 438 I C 2.539 178.721 176.117 0.109 0.000 1.075 438 I CA 1.504 62.816 61.300 0.021 0.000 1.334 438 I CB -0.355 37.578 38.000 -0.111 0.000 1.040 438 I HN 0.145 nan 8.210 nan 0.000 0.405 439 K N 0.913 121.372 120.400 0.100 0.000 2.097 439 K HA -0.045 4.272 4.320 -0.005 0.000 0.205 439 K C 2.223 178.886 176.600 0.105 0.000 1.050 439 K CA 1.220 57.562 56.287 0.092 0.000 0.938 439 K CB -0.490 32.053 32.500 0.073 0.000 0.718 439 K HN 0.436 nan 8.250 nan 0.000 0.442 440 G N 0.622 109.504 108.800 0.135 0.000 2.446 440 G HA2 -0.245 3.712 3.960 -0.005 0.000 0.217 440 G HA3 -0.245 3.712 3.960 -0.005 0.000 0.217 440 G C 1.233 176.056 174.900 -0.129 0.000 1.168 440 G CA 0.773 45.886 45.100 0.021 0.000 0.771 440 G HN 0.165 nan 8.290 nan 0.000 0.551 441 F N 0.456 120.449 119.950 0.071 0.000 2.259 441 F HA 0.068 4.592 4.527 -0.005 0.000 0.298 441 F C 2.865 178.652 175.800 -0.022 0.000 1.088 441 F CA 1.333 59.345 58.000 0.019 0.000 1.358 441 F CB -0.104 38.938 39.000 0.070 0.000 1.040 441 F HN 0.166 nan 8.300 nan 0.000 0.505 442 Q N 0.201 120.101 119.800 0.167 0.000 2.124 442 Q HA -0.244 4.093 4.340 -0.005 0.000 0.202 442 Q C 2.005 178.035 176.000 0.049 0.000 0.977 442 Q CA 1.575 57.433 55.803 0.090 0.000 0.850 442 Q CB -0.039 28.742 28.738 0.071 0.000 0.901 442 Q HN 0.486 nan 8.270 nan 0.000 0.429 443 Q N -0.111 119.718 119.800 0.049 0.000 2.123 443 Q HA -0.099 4.238 4.340 -0.005 0.000 0.199 443 Q C 2.022 178.043 176.000 0.035 0.000 0.966 443 Q CA 1.319 57.147 55.803 0.042 0.000 0.845 443 Q CB 0.048 28.879 28.738 0.154 0.000 0.907 443 Q HN 0.458 nan 8.270 nan 0.000 0.439 444 I N 0.205 120.781 120.570 0.011 0.000 2.315 444 I HA -0.260 3.907 4.170 -0.005 0.000 0.248 444 I C 2.021 178.108 176.117 -0.049 0.000 1.117 444 I CA 0.938 62.197 61.300 -0.068 0.000 1.404 444 I CB -0.215 37.587 38.000 -0.330 0.000 1.071 444 I HN 0.173 nan 8.210 nan 0.000 0.419 445 L N 0.754 121.970 121.223 -0.012 0.000 2.046 445 L HA -0.159 4.178 4.340 -0.005 0.000 0.208 445 L C 2.694 179.561 176.870 -0.006 0.000 1.077 445 L CA 1.338 56.179 54.840 0.002 0.000 0.747 445 L CB -0.515 41.560 42.059 0.027 0.000 0.896 445 L HN 0.238 nan 8.230 nan 0.000 0.432 446 A N -0.801 122.014 122.820 -0.009 0.000 2.168 446 A HA 0.158 4.475 4.320 -0.005 0.000 0.215 446 A C 1.781 179.345 177.584 -0.033 0.000 1.152 446 A CA 0.945 52.971 52.037 -0.018 0.000 0.716 446 A CB -0.541 18.446 19.000 -0.022 0.000 0.794 446 A HN 0.567 nan 8.150 nan 0.000 0.465 447 G N -0.871 107.906 108.800 -0.038 0.000 2.157 447 G HA2 -0.267 3.690 3.960 -0.005 0.000 0.248 447 G HA3 -0.267 3.690 3.960 -0.005 0.000 0.248 447 G C 0.481 175.333 174.900 -0.079 0.000 0.979 447 G CA 0.523 45.600 45.100 -0.038 0.000 0.650 447 G HN 0.571 nan 8.290 nan 0.000 0.529 448 E N -0.972 119.124 120.200 -0.174 0.000 2.396 448 E HA -0.081 4.266 4.350 -0.005 0.000 0.200 448 E C 0.290 176.518 176.600 -0.621 0.000 1.023 448 E CA 0.927 57.095 56.400 -0.388 0.000 0.857 448 E CB -0.108 29.267 29.700 -0.541 0.000 0.775 448 E HN 0.773 nan 8.360 nan 0.000 0.525 449 Y N -0.570 119.678 120.300 -0.086 0.000 2.577 449 Y HA 0.159 4.707 4.550 -0.005 0.000 0.307 449 Y C 0.374 176.155 175.900 -0.198 0.000 0.940 449 Y CA -0.614 57.348 58.100 -0.231 0.000 1.132 449 Y CB 0.495 38.928 38.460 -0.044 0.000 1.184 449 Y HN -0.131 nan 8.280 nan 0.000 0.611 450 D N -0.436 119.947 120.400 -0.028 0.000 2.269 450 D HA -0.140 4.497 4.640 -0.005 0.000 0.208 450 D C 2.048 178.378 176.300 0.049 0.000 0.963 450 D CA 1.299 55.316 54.000 0.028 0.000 0.864 450 D CB 0.012 40.843 40.800 0.053 0.000 0.936 450 D HN 0.635 nan 8.370 nan 0.000 0.505 451 H N -0.646 118.474 119.070 0.084 0.000 2.497 451 H HA 0.114 4.667 4.556 -0.005 0.000 0.282 451 H C 0.985 176.357 175.328 0.073 0.000 1.003 451 H CA -0.028 56.058 56.048 0.063 0.000 1.307 451 H CB -0.206 29.579 29.762 0.039 0.000 1.437 451 H HN 0.073 nan 8.280 nan 0.000 0.544 452 L N 3.548 124.631 121.223 -0.233 0.000 2.439 452 L HA 0.171 4.508 4.340 -0.005 0.000 0.269 452 L C -1.765 175.089 176.870 -0.026 0.000 1.179 452 L CA -1.718 53.052 54.840 -0.117 0.000 0.828 452 L CB 0.555 42.478 42.059 -0.228 0.000 1.106 452 L HN 0.148 nan 8.230 nan 0.000 0.467 453 P HA 0.127 nan 4.420 nan 0.000 0.276 453 P C -0.035 177.263 177.300 -0.003 0.000 1.261 453 P CA -0.445 62.640 63.100 -0.025 0.000 0.800 453 P CB 0.931 32.604 31.700 -0.045 0.000 1.066 454 E N -0.149 120.083 120.200 0.053 0.000 2.047 454 E HA -0.181 4.166 4.350 -0.005 0.000 0.191 454 E C 1.849 178.501 176.600 0.088 0.000 0.987 454 E CA 1.073 57.543 56.400 0.117 0.000 0.799 454 E CB -0.124 29.609 29.700 0.055 0.000 0.752 454 E HN 0.438 nan 8.360 nan 0.000 0.449 455 Q N -0.146 119.658 119.800 0.007 0.000 2.439 455 Q HA -0.082 4.255 4.340 -0.005 0.000 0.211 455 Q C 1.892 177.883 176.000 -0.015 0.000 0.978 455 Q CA 0.835 56.644 55.803 0.010 0.000 0.897 455 Q CB -0.036 28.694 28.738 -0.013 0.000 0.956 455 Q HN 0.235 nan 8.270 nan 0.000 0.483 456 A N -0.243 122.474 122.820 -0.172 0.000 1.929 456 A HA -0.082 4.235 4.320 -0.005 0.000 0.216 456 A C 1.538 178.890 177.584 -0.387 0.000 1.176 456 A CA 0.805 52.614 52.037 -0.381 0.000 0.628 456 A CB -0.503 18.084 19.000 -0.688 0.000 0.816 456 A HN 0.306 nan 8.150 nan 0.000 0.444 457 F N -2.545 117.402 119.950 -0.005 0.000 2.743 457 F HA 0.179 4.703 4.527 -0.005 0.000 0.297 457 F C 0.782 176.664 175.800 0.138 0.000 1.131 457 F CA -0.338 57.689 58.000 0.046 0.000 1.426 457 F CB -0.197 38.799 39.000 -0.006 0.000 1.116 457 F HN 0.244 nan 8.300 nan 0.000 0.583 458 Y N 2.026 122.391 120.300 0.109 0.000 2.442 458 Y HA 0.182 4.729 4.550 -0.005 0.000 0.330 458 Y C 0.744 176.638 175.900 -0.009 0.000 1.129 458 Y CA -1.444 56.685 58.100 0.048 0.000 1.365 458 Y CB 0.219 38.688 38.460 0.016 0.000 1.233 458 Y HN 0.029 nan 8.280 nan 0.000 0.529 459 M N 5.904 125.162 119.600 -0.571 0.000 2.460 459 M HA -0.163 4.314 4.480 -0.005 0.000 0.182 459 M C -1.111 175.020 176.300 -0.281 0.000 0.903 459 M CA 0.972 55.941 55.300 -0.553 0.000 0.555 459 M CB -2.657 29.464 32.600 -0.800 0.000 1.106 459 M HN 0.431 nan 8.290 nan 0.000 0.867 460 V N -2.502 117.309 119.914 -0.172 0.000 3.102 460 V HA 1.053 5.170 4.120 -0.005 0.000 0.312 460 V C 0.811 176.839 176.094 -0.109 0.000 1.135 460 V CA -0.222 62.026 62.300 -0.087 0.000 1.022 460 V CB 1.600 33.437 31.823 0.023 0.000 1.056 460 V HN 0.482 nan 8.190 nan 0.000 0.436 461 G N 0.927 109.694 108.800 -0.055 0.000 2.948 461 G HA2 0.361 4.318 3.960 -0.005 0.000 0.174 461 G HA3 0.361 4.318 3.960 -0.005 0.000 0.174 461 G C -1.901 172.985 174.900 -0.024 0.000 1.839 461 G CA 0.188 45.255 45.100 -0.055 0.000 0.908 461 G HN 0.780 nan 8.290 nan 0.000 0.419 462 P HA 0.166 nan 4.420 nan 0.000 0.286 462 P C 0.771 178.263 177.300 0.321 0.000 1.293 462 P CA -0.571 62.638 63.100 0.182 0.000 0.770 462 P CB 1.074 32.838 31.700 0.107 0.000 1.206 463 I N -0.353 120.365 120.570 0.247 0.000 2.546 463 I HA -0.194 3.973 4.170 -0.005 0.000 0.255 463 I C 1.954 178.015 176.117 -0.093 0.000 1.163 463 I CA 1.597 62.849 61.300 -0.080 0.000 1.457 463 I CB -0.680 37.131 38.000 -0.316 0.000 1.092 463 I HN 0.186 nan 8.210 nan 0.000 0.434 464 E N 0.697 120.893 120.200 -0.007 0.000 2.058 464 E HA -0.237 4.110 4.350 -0.005 0.000 0.194 464 E C 2.028 178.611 176.600 -0.029 0.000 0.997 464 E CA 1.632 58.025 56.400 -0.011 0.000 0.801 464 E CB -0.271 29.440 29.700 0.018 0.000 0.746 464 E HN 0.538 nan 8.360 nan 0.000 0.450 465 E N -0.245 119.951 120.200 -0.006 0.000 2.409 465 E HA -0.091 4.256 4.350 -0.005 0.000 0.198 465 E C 1.681 178.247 176.600 -0.056 0.000 1.024 465 E CA 0.593 56.982 56.400 -0.018 0.000 0.861 465 E CB 0.019 29.719 29.700 0.001 0.000 0.788 465 E HN 0.262 nan 8.360 nan 0.000 0.521 466 A N 0.548 123.315 122.820 -0.088 0.000 1.911 466 A HA -0.039 4.278 4.320 -0.005 0.000 0.212 466 A C 2.383 179.760 177.584 -0.343 0.000 1.189 466 A CA 0.439 52.344 52.037 -0.219 0.000 0.639 466 A CB -0.138 18.730 19.000 -0.220 0.000 0.839 466 A HN 0.101 nan 8.150 nan 0.000 0.449 467 V N 0.121 119.869 119.914 -0.276 0.000 2.453 467 V HA -0.162 3.955 4.120 -0.005 0.000 0.247 467 V C 2.984 179.009 176.094 -0.115 0.000 1.048 467 V CA 1.683 63.862 62.300 -0.201 0.000 1.049 467 V CB -1.314 30.462 31.823 -0.078 0.000 0.672 467 V HN 0.547 nan 8.190 nan 0.000 0.457 468 A N 0.068 122.837 122.820 -0.084 0.000 1.902 468 A HA -0.264 4.053 4.320 -0.005 0.000 0.217 468 A C 2.364 179.909 177.584 -0.065 0.000 1.181 468 A CA 2.208 54.213 52.037 -0.053 0.000 0.623 468 A CB -0.487 18.492 19.000 -0.035 0.000 0.818 468 A HN 0.508 nan 8.150 nan 0.000 0.443 469 K N -0.354 119.991 120.400 -0.092 0.000 2.148 469 K HA -0.025 4.292 4.320 -0.005 0.000 0.204 469 K C 2.060 178.595 176.600 -0.108 0.000 1.050 469 K CA 0.988 57.220 56.287 -0.091 0.000 0.942 469 K CB -0.289 32.150 32.500 -0.102 0.000 0.724 469 K HN 0.375 nan 8.250 nan 0.000 0.446 470 A N 1.650 124.376 122.820 -0.157 0.000 2.024 470 A HA -0.194 4.123 4.320 -0.005 0.000 0.220 470 A C 1.460 178.998 177.584 -0.078 0.000 1.164 470 A CA 1.883 53.828 52.037 -0.154 0.000 0.643 470 A CB -0.362 18.514 19.000 -0.207 0.000 0.806 470 A HN 0.390 nan 8.150 nan 0.000 0.451 471 D N -0.798 119.569 120.400 -0.055 0.000 2.075 471 D HA -0.085 4.552 4.640 -0.005 0.000 0.196 471 D C 1.430 177.715 176.300 -0.025 0.000 0.985 471 D CA 1.417 55.400 54.000 -0.029 0.000 0.834 471 D CB -0.268 40.520 40.800 -0.020 0.000 0.987 471 D HN 0.326 nan 8.370 nan 0.000 0.452 472 K N -0.960 119.423 120.400 -0.027 0.000 9.946 472 K HA -0.281 4.036 4.320 -0.005 0.000 0.466 472 K C 1.374 177.968 176.600 -0.011 0.000 0.475 472 K CA 2.137 58.413 56.287 -0.019 0.000 1.661 472 K CB -1.320 31.167 32.500 -0.021 0.000 0.801 472 K HN 0.231 nan 8.250 nan 0.000 1.159 473 L N -2.865 118.353 121.223 -0.010 0.000 2.678 473 L HA 0.541 4.878 4.340 -0.005 0.000 0.187 473 L C 0.503 177.370 176.870 -0.005 0.000 1.073 473 L CA 0.162 54.998 54.840 -0.006 0.000 0.883 473 L CB 0.615 42.672 42.059 -0.003 0.000 1.501 473 L HN 0.445 nan 8.230 nan 0.000 0.488 474 A N 0.000 122.817 122.820 -0.006 0.000 2.254 474 A HA 0.000 4.317 4.320 -0.005 0.000 0.244 474 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 474 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486