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_D 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 KADKLAE 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 0.000 174.849 174.700 0.248 0.000 1.109 9 T CA 0.000 62.192 62.100 0.154 0.000 1.349 9 T CB 0.000 68.965 68.868 0.161 0.000 0.612 10 T N 1.366 116.041 114.554 0.202 0.000 2.797 10 T HA 0.783 5.133 4.350 -0.001 0.000 0.279 10 T C 0.403 174.990 174.700 -0.188 0.000 0.991 10 T CA -0.514 61.622 62.100 0.060 0.000 0.979 10 T CB 1.514 70.382 68.868 -0.001 0.000 0.943 10 T HN 1.113 nan 8.240 nan 0.000 0.444 11 G N 1.843 110.321 108.800 -0.537 0.000 2.498 11 G HA2 0.694 4.654 3.960 -0.001 0.000 0.312 11 G HA3 0.694 4.654 3.960 -0.001 0.000 0.312 11 G C -1.162 173.426 174.900 -0.519 0.000 1.230 11 G CA -0.972 43.470 45.100 -1.096 0.000 0.968 11 G HN 0.583 nan 8.290 nan 0.000 0.481 12 R N 0.470 120.715 120.500 -0.424 0.000 2.494 12 R HA 0.378 4.717 4.340 -0.001 0.000 0.305 12 R C -0.201 175.986 176.300 -0.188 0.000 0.959 12 R CA -0.752 55.210 56.100 -0.231 0.000 0.864 12 R CB 2.409 32.612 30.300 -0.160 0.000 1.159 12 R HN 0.405 nan 8.270 nan 0.000 0.446 13 I N 3.868 124.362 120.570 -0.127 0.000 2.581 13 I HA -0.101 4.069 4.170 -0.001 0.000 0.285 13 I C 1.528 177.605 176.117 -0.066 0.000 1.129 13 I CA 0.190 61.441 61.300 -0.083 0.000 1.397 13 I CB 0.772 38.739 38.000 -0.055 0.000 1.399 13 I HN 0.593 nan 8.210 nan 0.000 0.537 14 V N 3.399 123.279 119.914 -0.056 0.000 3.565 14 V HA 0.547 4.667 4.120 -0.001 0.000 0.260 14 V C 0.645 176.722 176.094 -0.028 0.000 1.231 14 V CA 0.445 62.720 62.300 -0.042 0.000 1.100 14 V CB 0.112 31.911 31.823 -0.040 0.000 0.807 14 V HN 0.719 nan 8.190 nan 0.000 0.454 15 A N -0.291 122.514 122.820 -0.023 0.000 2.540 15 A HA 0.777 5.097 4.320 -0.001 0.000 0.297 15 A C -1.277 176.300 177.584 -0.013 0.000 1.056 15 A CA -0.348 51.680 52.037 -0.016 0.000 0.700 15 A CB 2.108 21.102 19.000 -0.011 0.000 1.280 15 A HN 0.482 nan 8.150 nan 0.000 0.398 16 V N 3.087 122.994 119.914 -0.011 0.000 2.409 16 V HA 0.539 4.659 4.120 -0.001 0.000 0.290 16 V C -0.796 175.293 176.094 -0.007 0.000 1.017 16 V CA -0.079 62.216 62.300 -0.009 0.000 0.841 16 V CB 1.100 32.917 31.823 -0.010 0.000 1.003 16 V HN 0.698 nan 8.190 nan 0.000 0.426 17 I N 4.059 124.626 120.570 -0.006 0.000 2.468 17 I HA 0.684 4.854 4.170 -0.001 0.000 0.285 17 I C 1.012 177.124 176.117 -0.007 0.000 1.039 17 I CA -0.135 61.161 61.300 -0.007 0.000 1.074 17 I CB 1.654 39.650 38.000 -0.006 0.000 1.228 17 I HN 0.782 nan 8.210 nan 0.000 0.436 18 G N 4.990 113.785 108.800 -0.008 0.000 2.634 18 G HA2 -0.356 3.604 3.960 -0.001 0.000 0.318 18 G HA3 -0.356 3.604 3.960 -0.001 0.000 0.318 18 G C 0.714 175.609 174.900 -0.008 0.000 1.207 18 G CA 0.651 45.745 45.100 -0.009 0.000 0.987 18 G HN 0.995 nan 8.290 nan 0.000 0.547 19 A N -0.772 122.042 122.820 -0.009 0.000 2.423 19 A HA 0.657 4.976 4.320 -0.001 0.000 0.246 19 A C 0.451 178.033 177.584 -0.003 0.000 1.278 19 A CA 1.060 53.093 52.037 -0.006 0.000 0.903 19 A CB 0.329 19.324 19.000 -0.010 0.000 0.997 19 A HN 1.319 nan 8.150 nan 0.000 0.510 20 V N 1.298 121.210 119.914 -0.003 0.000 2.328 20 V HA 0.366 4.486 4.120 -0.001 0.000 0.278 20 V C -0.709 175.387 176.094 0.002 0.000 1.021 20 V CA -0.347 61.954 62.300 0.001 0.000 0.838 20 V CB 1.359 33.181 31.823 -0.002 0.000 0.999 20 V HN 0.116 nan 8.190 nan 0.000 0.447 21 V N 4.290 124.209 119.914 0.007 0.000 2.444 21 V HA 0.459 4.579 4.120 -0.001 0.000 0.294 21 V C -0.601 175.499 176.094 0.011 0.000 1.022 21 V CA -0.850 61.454 62.300 0.005 0.000 0.850 21 V CB 1.932 33.758 31.823 0.005 0.000 0.992 21 V HN 0.746 nan 8.190 nan 0.000 0.426 22 D N 3.477 123.879 120.400 0.004 0.000 2.256 22 D HA 0.570 5.210 4.640 -0.001 0.000 0.250 22 D C -0.364 175.932 176.300 -0.007 0.000 1.093 22 D CA 0.035 54.039 54.000 0.006 0.000 0.882 22 D CB 2.238 43.039 40.800 0.001 0.000 1.185 22 D HN 0.288 nan 8.370 nan 0.000 0.437 23 V N 1.821 121.740 119.914 0.008 0.000 2.735 23 V HA 0.362 4.481 4.120 -0.001 0.000 0.310 23 V C -0.243 175.820 176.094 -0.052 0.000 1.061 23 V CA -0.948 61.319 62.300 -0.054 0.000 0.913 23 V CB 2.131 33.932 31.823 -0.037 0.000 1.005 23 V HN 0.405 nan 8.190 nan 0.000 0.428 24 Q N 2.321 122.003 119.800 -0.197 0.000 2.316 24 Q HA 0.639 4.979 4.340 -0.001 0.000 0.264 24 Q C -2.077 173.744 176.000 -0.299 0.000 0.987 24 Q CA -0.512 55.217 55.803 -0.122 0.000 0.852 24 Q CB 1.653 30.341 28.738 -0.084 0.000 1.287 24 Q HN 0.640 nan 8.270 nan 0.000 0.448 25 F N 2.678 122.599 119.950 -0.049 0.000 2.426 25 F HA 0.238 4.765 4.527 -0.001 0.000 0.348 25 F C 0.762 176.543 175.800 -0.031 0.000 1.124 25 F CA -0.705 57.271 58.000 -0.040 0.000 1.008 25 F CB 1.626 40.597 39.000 -0.048 0.000 1.139 25 F HN 0.645 nan 8.300 nan 0.000 0.452 26 D N 1.762 122.220 120.400 0.097 0.000 2.117 26 D HA -0.088 4.552 4.640 -0.001 0.000 0.198 26 D C 1.170 177.513 176.300 0.071 0.000 0.982 26 D CA 1.612 55.646 54.000 0.056 0.000 0.828 26 D CB 0.379 41.191 40.800 0.021 0.000 0.967 26 D HN 0.690 nan 8.370 nan 0.000 0.464 27 E N -0.476 119.782 120.200 0.098 0.000 3.332 27 E HA 0.358 4.708 4.350 -0.001 0.000 0.315 27 E C 0.831 177.468 176.600 0.062 0.000 0.803 27 E CA -0.242 56.199 56.400 0.068 0.000 1.261 27 E CB -0.216 29.517 29.700 0.055 0.000 2.649 27 E HN -0.005 nan 8.360 nan 0.000 0.554 28 G N 1.489 110.318 108.800 0.047 0.000 2.354 28 G HA2 0.344 4.304 3.960 -0.001 0.000 0.266 28 G HA3 0.344 4.304 3.960 -0.001 0.000 0.266 28 G C -0.864 173.989 174.900 -0.079 0.000 1.242 28 G CA -0.177 44.920 45.100 -0.005 0.000 0.923 28 G HN -0.014 nan 8.290 nan 0.000 0.476 29 L N 5.729 126.892 121.223 -0.100 0.000 2.276 29 L HA 0.466 4.806 4.340 -0.001 0.000 0.286 29 L C -1.683 175.035 176.870 -0.253 0.000 1.061 29 L CA -2.248 52.458 54.840 -0.223 0.000 0.807 29 L CB 1.197 43.189 42.059 -0.112 0.000 1.177 29 L HN 0.332 nan 8.230 nan 0.000 0.429 30 P HA 0.340 nan 4.420 nan 0.000 0.280 30 P C -2.796 174.477 177.300 -0.044 0.000 1.244 30 P CA -1.326 61.596 63.100 -0.296 0.000 0.784 30 P CB 0.446 31.864 31.700 -0.469 0.000 0.913 31 P HA 0.155 nan 4.420 nan 0.000 0.277 31 P C 0.369 177.725 177.300 0.093 0.000 1.276 31 P CA -0.374 62.795 63.100 0.115 0.000 0.788 31 P CB 0.564 32.255 31.700 -0.014 0.000 1.114 32 I N 0.207 120.782 120.570 0.009 0.000 2.892 32 I HA -0.064 4.105 4.170 -0.001 0.000 0.287 32 I C 2.027 178.107 176.117 -0.061 0.000 1.205 32 I CA 0.367 61.657 61.300 -0.017 0.000 1.409 32 I CB -0.762 37.194 38.000 -0.073 0.000 1.367 32 I HN 0.545 nan 8.210 nan 0.000 0.597 33 L N 0.676 121.847 121.223 -0.087 0.000 4.808 33 L HA -0.301 4.038 4.340 -0.001 0.000 0.396 33 L C 0.436 177.284 176.870 -0.037 0.000 0.811 33 L CA 0.668 55.410 54.840 -0.163 0.000 2.140 33 L CB -1.494 40.356 42.059 -0.349 0.000 1.363 33 L HN 0.663 nan 8.230 nan 0.000 0.611 34 N N 1.121 119.813 118.700 -0.013 0.000 2.407 34 N HA 0.398 5.138 4.740 -0.001 0.000 0.250 34 N C 0.269 175.798 175.510 0.033 0.000 1.236 34 N CA 1.008 54.063 53.050 0.009 0.000 0.879 34 N CB 0.630 39.106 38.487 -0.018 0.000 1.088 34 N HN 0.337 nan 8.380 nan 0.000 0.450 35 A N 2.651 125.498 122.820 0.046 0.000 2.328 35 A HA 0.538 4.857 4.320 -0.001 0.000 0.284 35 A C -0.304 177.309 177.584 0.048 0.000 1.160 35 A CA -0.511 51.559 52.037 0.055 0.000 0.818 35 A CB 0.122 19.159 19.000 0.061 0.000 1.087 35 A HN 0.620 nan 8.150 nan 0.000 0.504 36 L N 1.897 123.157 121.223 0.062 0.000 2.330 36 L HA 0.507 4.846 4.340 -0.001 0.000 0.271 36 L C -0.211 176.698 176.870 0.065 0.000 1.013 36 L CA -0.766 54.122 54.840 0.080 0.000 0.816 36 L CB 1.746 43.882 42.059 0.127 0.000 1.287 36 L HN 0.628 nan 8.230 nan 0.000 0.435 37 E N 2.287 122.525 120.200 0.064 0.000 2.145 37 E HA 0.302 4.652 4.350 -0.001 0.000 0.270 37 E C -0.965 175.658 176.600 0.038 0.000 0.906 37 E CA -0.614 55.812 56.400 0.043 0.000 0.761 37 E CB 2.577 32.297 29.700 0.033 0.000 1.116 37 E HN 0.184 nan 8.360 nan 0.000 0.408 38 V N 4.110 124.040 119.914 0.027 0.000 2.455 38 V HA 0.007 4.127 4.120 -0.001 0.000 0.273 38 V C 0.497 176.595 176.094 0.006 0.000 1.045 38 V CA -0.520 61.788 62.300 0.013 0.000 0.976 38 V CB 0.735 32.564 31.823 0.009 0.000 0.993 38 V HN 0.469 nan 8.190 nan 0.000 0.475 39 Q N 2.764 122.563 119.800 -0.001 0.000 2.314 39 Q HA 0.407 4.747 4.340 -0.001 0.000 0.258 39 Q C 0.977 176.973 176.000 -0.007 0.000 0.954 39 Q CA 0.571 56.372 55.803 -0.004 0.000 0.890 39 Q CB 1.150 29.883 28.738 -0.008 0.000 1.210 39 Q HN 1.163 nan 8.270 nan 0.000 0.410 40 G N 2.698 111.495 108.800 -0.004 0.000 2.417 40 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.291 40 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.291 40 G C -0.325 174.572 174.900 -0.004 0.000 1.094 40 G CA 0.001 45.098 45.100 -0.005 0.000 1.146 40 G HN 0.460 nan 8.290 nan 0.000 0.519 41 R N -0.490 120.010 120.500 -0.001 0.000 2.698 41 R HA 0.337 4.677 4.340 -0.001 0.000 0.275 41 R C 1.024 177.325 176.300 0.002 0.000 1.001 41 R CA -0.956 55.144 56.100 0.000 0.000 0.896 41 R CB 1.202 31.503 30.300 0.001 0.000 1.218 41 R HN 0.197 nan 8.270 nan 0.000 0.462 42 E N 0.738 120.939 120.200 0.001 0.000 2.007 42 E HA -0.136 4.213 4.350 -0.001 0.000 0.203 42 E C 0.490 177.092 176.600 0.004 0.000 1.020 42 E CA 1.920 58.321 56.400 0.002 0.000 0.845 42 E CB -0.151 29.550 29.700 0.002 0.000 0.779 42 E HN 0.657 nan 8.360 nan 0.000 0.466 43 T N -0.546 114.010 114.554 0.005 0.000 2.867 43 T HA 0.422 4.772 4.350 -0.001 0.000 0.282 43 T C 0.212 174.917 174.700 0.009 0.000 1.000 43 T CA -0.844 61.260 62.100 0.007 0.000 1.042 43 T CB 2.301 71.173 68.868 0.006 0.000 0.973 43 T HN 0.009 nan 8.240 nan 0.000 0.465 44 R N 1.223 121.730 120.500 0.012 0.000 2.504 44 R HA 0.190 4.529 4.340 -0.001 0.000 0.291 44 R C -0.927 175.383 176.300 0.016 0.000 0.974 44 R CA -0.394 55.715 56.100 0.015 0.000 1.077 44 R CB -0.048 30.263 30.300 0.018 0.000 0.926 44 R HN 0.573 nan 8.270 nan 0.000 0.407 45 L N 6.122 127.355 121.223 0.017 0.000 2.319 45 L HA 0.332 4.671 4.340 -0.001 0.000 0.281 45 L C -1.227 175.658 176.870 0.025 0.000 1.005 45 L CA -0.506 54.345 54.840 0.019 0.000 0.828 45 L CB 1.877 43.944 42.059 0.014 0.000 1.227 45 L HN 0.328 nan 8.230 nan 0.000 0.415 46 V N 6.175 126.107 119.914 0.030 0.000 2.427 46 V HA 0.461 4.580 4.120 -0.001 0.000 0.286 46 V C 0.228 176.346 176.094 0.041 0.000 1.034 46 V CA -0.628 61.695 62.300 0.038 0.000 0.893 46 V CB 1.356 33.204 31.823 0.042 0.000 0.982 46 V HN 0.594 nan 8.190 nan 0.000 0.452 47 L N 3.641 124.893 121.223 0.049 0.000 2.331 47 L HA 0.654 4.993 4.340 -0.001 0.000 0.275 47 L C 0.015 176.921 176.870 0.060 0.000 1.022 47 L CA -0.445 54.426 54.840 0.052 0.000 0.812 47 L CB 1.799 43.892 42.059 0.058 0.000 1.257 47 L HN 0.662 nan 8.230 nan 0.000 0.435 48 E N 1.336 121.572 120.200 0.059 0.000 2.165 48 E HA 0.328 4.678 4.350 -0.001 0.000 0.266 48 E C -1.253 175.376 176.600 0.050 0.000 0.889 48 E CA -0.744 55.694 56.400 0.064 0.000 0.756 48 E CB 2.065 31.819 29.700 0.089 0.000 1.131 48 E HN 0.312 nan 8.360 nan 0.000 0.411 49 V N 4.111 124.050 119.914 0.041 0.000 2.540 49 V HA 0.056 4.176 4.120 -0.001 0.000 0.297 49 V C 0.909 177.022 176.094 0.032 0.000 1.024 49 V CA 1.027 63.351 62.300 0.041 0.000 1.105 49 V CB 0.759 32.605 31.823 0.039 0.000 0.938 49 V HN 0.887 nan 8.190 nan 0.000 0.482 50 A N 4.448 127.292 122.820 0.040 0.000 2.013 50 A HA 0.314 4.634 4.320 -0.001 0.000 0.204 50 A C 0.723 178.332 177.584 0.042 0.000 1.262 50 A CA 0.224 52.277 52.037 0.026 0.000 0.800 50 A CB 0.360 19.372 19.000 0.020 0.000 0.909 50 A HN 0.764 nan 8.150 nan 0.000 0.472 51 Q N -0.924 118.922 119.800 0.077 0.000 2.456 51 Q HA 0.392 4.732 4.340 -0.001 0.000 0.284 51 Q C -1.615 174.504 176.000 0.198 0.000 1.061 51 Q CA -0.623 55.242 55.803 0.105 0.000 0.799 51 Q CB 1.834 30.610 28.738 0.063 0.000 1.445 51 Q HN 0.571 nan 8.270 nan 0.000 0.411 52 H N 1.767 120.835 119.070 -0.003 0.000 2.597 52 H HA 0.249 4.804 4.556 -0.001 0.000 0.303 52 H C 0.384 175.718 175.328 0.009 0.000 1.057 52 H CA -0.176 55.874 56.048 0.003 0.000 1.261 52 H CB 1.089 30.847 29.762 -0.007 0.000 1.397 52 H HN 0.451 nan 8.280 nan 0.000 0.461 53 L N 2.914 124.179 121.223 0.069 0.000 2.558 53 L HA 0.164 4.504 4.340 -0.001 0.000 0.225 53 L C 1.221 178.115 176.870 0.040 0.000 1.128 53 L CA 0.441 55.309 54.840 0.047 0.000 0.868 53 L CB 0.123 42.197 42.059 0.026 0.000 1.006 53 L HN 0.907 nan 8.230 nan 0.000 0.454 54 G N 0.024 108.851 108.800 0.044 0.000 2.549 54 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.404 54 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.404 54 G C 0.006 174.918 174.900 0.021 0.000 1.292 54 G CA -0.478 44.645 45.100 0.037 0.000 0.935 54 G HN 0.246 nan 8.290 nan 0.000 0.512 55 E N -0.741 119.471 120.200 0.021 0.000 2.216 55 E HA -0.210 4.139 4.350 -0.001 0.000 0.219 55 E C 0.916 177.525 176.600 0.016 0.000 1.317 55 E CA 1.066 57.476 56.400 0.016 0.000 0.716 55 E CB -1.376 28.330 29.700 0.011 0.000 1.135 55 E HN 1.858 nan 8.360 nan 0.000 0.359 56 S N -1.401 114.310 115.700 0.018 0.000 3.682 56 S HA -0.187 4.283 4.470 -0.001 0.000 0.354 56 S C -0.069 174.553 174.600 0.036 0.000 1.034 56 S CA 1.323 59.538 58.200 0.025 0.000 1.084 56 S CB -0.887 62.340 63.200 0.045 0.000 0.903 56 S HN 0.434 nan 8.310 nan 0.000 0.470 57 T N 1.098 115.654 114.554 0.004 0.000 2.863 57 T HA 0.675 5.024 4.350 -0.001 0.000 0.285 57 T C 0.088 174.769 174.700 -0.030 0.000 1.009 57 T CA -0.467 61.642 62.100 0.014 0.000 0.989 57 T CB 1.994 70.866 68.868 0.007 0.000 1.004 57 T HN 0.577 nan 8.240 nan 0.000 0.455 58 V N 0.753 120.673 119.914 0.010 0.000 2.735 58 V HA 0.747 4.866 4.120 -0.001 0.000 0.310 58 V C -0.401 175.712 176.094 0.032 0.000 1.061 58 V CA -1.370 60.916 62.300 -0.023 0.000 0.913 58 V CB 1.778 33.556 31.823 -0.074 0.000 1.005 58 V HN 0.854 nan 8.190 nan 0.000 0.428 59 R N 2.476 122.995 120.500 0.032 0.000 2.265 59 R HA 0.725 5.065 4.340 -0.001 0.000 0.319 59 R C 0.001 176.325 176.300 0.039 0.000 1.006 59 R CA 0.351 56.471 56.100 0.033 0.000 0.880 59 R CB 1.342 31.659 30.300 0.028 0.000 1.077 59 R HN 1.156 nan 8.270 nan 0.000 0.454 60 T N 1.732 116.308 114.554 0.037 0.000 2.916 60 T HA 0.569 4.918 4.350 -0.001 0.000 0.292 60 T C 0.021 174.737 174.700 0.028 0.000 1.064 60 T CA -1.031 61.093 62.100 0.039 0.000 1.011 60 T CB 1.176 70.076 68.868 0.053 0.000 1.152 60 T HN 0.558 nan 8.240 nan 0.000 0.510 61 I N -0.147 120.441 120.570 0.029 0.000 2.389 61 I HA 0.795 4.964 4.170 -0.001 0.000 0.288 61 I C 0.157 176.290 176.117 0.025 0.000 0.999 61 I CA -1.468 59.844 61.300 0.020 0.000 1.129 61 I CB 1.240 39.249 38.000 0.014 0.000 1.288 61 I HN 0.865 nan 8.210 nan 0.000 0.444 62 A N 6.916 129.746 122.820 0.018 0.000 2.401 62 A HA 0.482 4.802 4.320 -0.001 0.000 0.259 62 A C 0.884 178.479 177.584 0.018 0.000 1.103 62 A CA -0.481 51.567 52.037 0.019 0.000 0.789 62 A CB 0.506 19.514 19.000 0.013 0.000 1.035 62 A HN 0.841 nan 8.150 nan 0.000 0.491 63 M N 0.933 120.547 119.600 0.023 0.000 2.561 63 M HA 0.178 4.658 4.480 -0.001 0.000 0.238 63 M C 0.066 176.376 176.300 0.017 0.000 1.131 63 M CA 0.600 55.914 55.300 0.023 0.000 1.046 63 M CB -1.271 31.347 32.600 0.030 0.000 1.532 63 M HN 0.755 nan 8.290 nan 0.000 0.497 64 D N -1.222 119.186 120.400 0.014 0.000 2.921 64 D HA 0.428 5.068 4.640 -0.001 0.000 0.329 64 D C -0.540 175.764 176.300 0.007 0.000 1.293 64 D CA -0.249 53.758 54.000 0.010 0.000 0.964 64 D CB 1.022 41.829 40.800 0.012 0.000 1.435 64 D HN 0.094 nan 8.370 nan 0.000 0.548 65 G N -0.487 108.316 108.800 0.005 0.000 2.380 65 G HA2 0.330 4.289 3.960 -0.001 0.000 0.242 65 G HA3 0.330 4.289 3.960 -0.001 0.000 0.242 65 G C 0.794 175.695 174.900 0.002 0.000 1.298 65 G CA 0.557 45.658 45.100 0.002 0.000 0.878 65 G HN 0.349 nan 8.290 nan 0.000 0.542 66 T N -0.653 113.901 114.554 0.000 0.000 3.163 66 T HA 0.145 4.494 4.350 -0.001 0.000 0.252 66 T C 0.712 175.411 174.700 -0.003 0.000 1.056 66 T CA -0.195 61.905 62.100 -0.001 0.000 0.947 66 T CB -0.091 68.776 68.868 -0.002 0.000 1.016 66 T HN 0.641 nan 8.240 nan 0.000 0.554 67 E N 1.364 121.563 120.200 -0.002 0.000 2.392 67 E HA 0.328 4.678 4.350 -0.001 0.000 0.264 67 E C 1.091 177.689 176.600 -0.004 0.000 1.024 67 E CA 0.413 56.811 56.400 -0.003 0.000 0.903 67 E CB 0.360 30.059 29.700 -0.002 0.000 0.963 67 E HN 0.431 nan 8.360 nan 0.000 0.432 68 G N 2.716 111.513 108.800 -0.005 0.000 2.176 68 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.253 68 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.253 68 G C 0.187 175.083 174.900 -0.007 0.000 0.979 68 G CA 0.178 45.274 45.100 -0.006 0.000 0.641 68 G HN 0.493 nan 8.290 nan 0.000 0.530 69 L N 1.512 122.731 121.223 -0.008 0.000 2.418 69 L HA 0.395 4.734 4.340 -0.001 0.000 0.274 69 L C 0.774 177.636 176.870 -0.014 0.000 1.135 69 L CA -0.511 54.322 54.840 -0.011 0.000 0.870 69 L CB 1.164 43.217 42.059 -0.010 0.000 1.154 69 L HN -0.004 nan 8.230 nan 0.000 0.462 70 V N 4.874 124.778 119.914 -0.017 0.000 2.509 70 V HA 0.287 4.407 4.120 -0.001 0.000 0.284 70 V C 0.612 176.692 176.094 -0.025 0.000 1.047 70 V CA -0.832 61.457 62.300 -0.019 0.000 0.952 70 V CB 1.284 33.096 31.823 -0.019 0.000 0.988 70 V HN 0.700 nan 8.190 nan 0.000 0.469 71 R N 2.610 123.095 120.500 -0.025 0.000 2.570 71 R HA 0.369 4.709 4.340 -0.001 0.000 0.277 71 R C 1.399 177.677 176.300 -0.037 0.000 1.039 71 R CA 0.923 57.004 56.100 -0.031 0.000 1.065 71 R CB 0.169 30.454 30.300 -0.026 0.000 0.964 71 R HN 1.170 nan 8.270 nan 0.000 0.428 72 G N 1.440 110.210 108.800 -0.049 0.000 2.253 72 G HA2 -0.358 3.602 3.960 -0.001 0.000 0.251 72 G HA3 -0.358 3.602 3.960 -0.001 0.000 0.251 72 G C 0.267 175.128 174.900 -0.065 0.000 0.998 72 G CA 0.229 45.294 45.100 -0.058 0.000 0.621 72 G HN 0.626 nan 8.290 nan 0.000 0.524 73 Q N 1.390 121.157 119.800 -0.054 0.000 2.304 73 Q HA 0.251 4.590 4.340 -0.001 0.000 0.315 73 Q C 0.406 176.364 176.000 -0.069 0.000 1.075 73 Q CA 0.498 56.270 55.803 -0.051 0.000 0.988 73 Q CB 0.248 28.963 28.738 -0.038 0.000 1.146 73 Q HN 0.499 nan 8.270 nan 0.000 0.383 74 K N 2.070 122.433 120.400 -0.062 0.000 2.382 74 K HA 0.251 4.570 4.320 -0.001 0.000 0.275 74 K C -1.068 175.495 176.600 -0.062 0.000 1.009 74 K CA -0.221 56.022 56.287 -0.074 0.000 0.970 74 K CB 1.016 33.486 32.500 -0.051 0.000 0.934 74 K HN 0.333 nan 8.250 nan 0.000 0.479 75 V N 4.882 124.747 119.914 -0.082 0.000 2.569 75 V HA 0.256 4.376 4.120 -0.001 0.000 0.301 75 V C -0.569 175.550 176.094 0.041 0.000 1.044 75 V CA -0.828 61.456 62.300 -0.026 0.000 0.874 75 V CB 1.492 33.296 31.823 -0.032 0.000 1.002 75 V HN 0.606 nan 8.190 nan 0.000 0.424 76 L N 3.170 124.438 121.223 0.076 0.000 2.334 76 L HA 0.508 4.847 4.340 -0.001 0.000 0.277 76 L C -0.021 176.938 176.870 0.148 0.000 1.075 76 L CA -0.436 54.474 54.840 0.116 0.000 0.804 76 L CB 1.462 43.559 42.059 0.062 0.000 1.174 76 L HN 0.678 nan 8.230 nan 0.000 0.438 77 D N 0.553 121.053 120.400 0.167 0.000 2.316 77 D HA 0.039 4.679 4.640 -0.001 0.000 0.245 77 D C 1.049 177.368 176.300 0.032 0.000 1.171 77 D CA -0.296 53.752 54.000 0.079 0.000 0.856 77 D CB 1.225 42.008 40.800 -0.028 0.000 1.090 77 D HN 0.491 nan 8.370 nan 0.000 0.476 78 S N 2.834 118.549 115.700 0.024 0.000 2.603 78 S HA 0.108 4.577 4.470 -0.001 0.000 0.229 78 S C 1.869 176.466 174.600 -0.006 0.000 0.972 78 S CA 0.293 58.498 58.200 0.008 0.000 0.935 78 S CB -0.470 62.737 63.200 0.012 0.000 0.769 78 S HN 0.987 nan 8.310 nan 0.000 0.536 79 G N 0.077 108.869 108.800 -0.014 0.000 2.212 79 G HA2 -0.045 3.914 3.960 -0.001 0.000 0.266 79 G HA3 -0.045 3.914 3.960 -0.001 0.000 0.266 79 G C 0.206 175.097 174.900 -0.016 0.000 0.978 79 G CA 0.014 45.100 45.100 -0.023 0.000 0.632 79 G HN 1.632 nan 8.290 nan 0.000 0.537 80 A N -0.944 121.873 122.820 -0.004 0.000 2.602 80 A HA 0.907 5.227 4.320 -0.001 0.000 0.290 80 A C -2.981 174.622 177.584 0.032 0.000 1.114 80 A CA -0.764 51.280 52.037 0.012 0.000 0.683 80 A CB 1.076 20.085 19.000 0.015 0.000 1.281 80 A HN 0.077 nan 8.150 nan 0.000 0.416 81 P HA 0.340 nan 4.420 nan 0.000 0.274 81 P C -0.464 176.899 177.300 0.106 0.000 1.260 81 P CA -0.297 62.867 63.100 0.107 0.000 0.793 81 P CB 0.202 32.007 31.700 0.176 0.000 1.048 82 I N 0.934 121.578 120.570 0.123 0.000 2.752 82 I HA -0.082 4.087 4.170 -0.001 0.000 0.286 82 I C 0.998 177.168 176.117 0.088 0.000 1.180 82 I CA 0.894 62.248 61.300 0.089 0.000 1.404 82 I CB -0.427 37.613 38.000 0.067 0.000 1.389 82 I HN 0.081 nan 8.210 nan 0.000 0.549 83 R N 7.639 128.206 120.500 0.112 0.000 2.295 83 R HA 0.630 4.969 4.340 -0.001 0.000 0.324 83 R C -0.508 175.949 176.300 0.262 0.000 0.968 83 R CA -0.735 55.466 56.100 0.168 0.000 0.837 83 R CB 1.473 31.880 30.300 0.177 0.000 1.133 83 R HN 0.597 nan 8.270 nan 0.000 0.450 84 I N -0.552 120.110 120.570 0.153 0.000 2.648 84 I HA 0.602 4.771 4.170 -0.001 0.000 0.304 84 I C -2.535 173.402 176.117 -0.299 0.000 1.009 84 I CA -3.422 57.892 61.300 0.024 0.000 1.114 84 I CB 1.815 39.795 38.000 -0.033 0.000 1.293 84 I HN 0.276 nan 8.210 nan 0.000 0.449 85 P HA 0.136 nan 4.420 nan 0.000 0.264 85 P C -0.828 176.160 177.300 -0.522 0.000 1.193 85 P CA -0.043 62.500 63.100 -0.928 0.000 0.763 85 P CB 0.725 32.035 31.700 -0.650 0.000 0.810 86 V N 0.747 120.321 119.914 -0.567 0.000 2.925 86 V HA 1.028 5.147 4.120 -0.001 0.000 0.311 86 V C 0.001 175.543 176.094 -0.921 0.000 1.104 86 V CA -0.343 61.609 62.300 -0.580 0.000 0.954 86 V CB 1.610 33.158 31.823 -0.458 0.000 1.022 86 V HN 0.900 nan 8.190 nan 0.000 0.427 87 G N 3.054 111.135 108.800 -1.197 0.000 2.361 87 G HA2 0.249 4.208 3.960 -0.001 0.000 0.331 87 G HA3 0.249 4.208 3.960 -0.001 0.000 0.331 87 G C -2.687 171.809 174.900 -0.673 0.000 1.324 87 G CA 0.038 44.371 45.100 -1.279 0.000 0.984 87 G HN 0.629 nan 8.290 nan 0.000 0.586 88 P HA -0.046 nan 4.420 nan 0.000 0.222 88 P C 1.280 178.543 177.300 -0.061 0.000 1.147 88 P CA 1.565 64.581 63.100 -0.139 0.000 0.790 88 P CB 0.078 31.739 31.700 -0.065 0.000 0.780 89 E N 0.250 120.378 120.200 -0.119 0.000 2.153 89 E HA -0.129 4.221 4.350 -0.001 0.000 0.194 89 E C 1.861 178.430 176.600 -0.052 0.000 0.988 89 E CA 1.874 58.226 56.400 -0.079 0.000 0.811 89 E CB -1.547 28.085 29.700 -0.113 0.000 0.746 89 E HN 0.416 nan 8.360 nan 0.000 0.466 90 T N 0.125 114.642 114.554 -0.061 0.000 2.929 90 T HA -0.071 4.279 4.350 -0.001 0.000 0.271 90 T C 1.311 176.033 174.700 0.037 0.000 1.085 90 T CA 0.239 62.330 62.100 -0.016 0.000 1.125 90 T CB -0.513 68.355 68.868 0.001 0.000 0.874 90 T HN -0.022 nan 8.240 nan 0.000 0.494 91 L N 1.805 123.062 121.223 0.057 0.000 2.490 91 L HA 0.413 4.752 4.340 -0.001 0.000 0.274 91 L C 1.713 178.618 176.870 0.058 0.000 1.201 91 L CA 0.896 55.761 54.840 0.041 0.000 0.869 91 L CB 0.007 42.081 42.059 0.024 0.000 1.123 91 L HN 0.532 nan 8.230 nan 0.000 0.484 92 G N 1.732 110.580 108.800 0.080 0.000 2.159 92 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.256 92 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.256 92 G C 0.172 175.154 174.900 0.138 0.000 0.977 92 G CA -0.347 44.823 45.100 0.117 0.000 0.652 92 G HN 0.467 nan 8.290 nan 0.000 0.531 93 R N -0.162 120.392 120.500 0.089 0.000 2.562 93 R HA 0.610 4.949 4.340 -0.001 0.000 0.298 93 R C 0.034 176.351 176.300 0.028 0.000 0.961 93 R CA -1.088 55.043 56.100 0.051 0.000 0.881 93 R CB 1.179 31.493 30.300 0.023 0.000 1.159 93 R HN 0.260 nan 8.270 nan 0.000 0.450 94 I N 4.273 124.822 120.570 -0.035 0.000 2.291 94 I HA 0.251 4.421 4.170 -0.001 0.000 0.292 94 I C 0.575 176.690 176.117 -0.002 0.000 1.064 94 I CA -0.000 61.282 61.300 -0.029 0.000 1.269 94 I CB 0.415 38.305 38.000 -0.183 0.000 1.418 94 I HN 0.255 nan 8.210 nan 0.000 0.485 95 M N 5.796 125.413 119.600 0.029 0.000 2.277 95 M HA 0.334 4.813 4.480 -0.001 0.000 0.350 95 M C 0.112 176.436 176.300 0.041 0.000 1.180 95 M CA -0.722 54.589 55.300 0.017 0.000 1.103 95 M CB 1.179 33.778 32.600 -0.002 0.000 1.577 95 M HN 0.537 nan 8.290 nan 0.000 0.459 96 N N 1.589 120.308 118.700 0.031 0.000 2.514 96 N HA 0.220 4.960 4.740 -0.001 0.000 0.299 96 N C 0.695 176.220 175.510 0.025 0.000 1.292 96 N CA -0.712 52.362 53.050 0.040 0.000 0.963 96 N CB -0.278 38.229 38.487 0.032 0.000 1.124 96 N HN 0.420 nan 8.380 nan 0.000 0.580 97 V N -0.565 119.364 119.914 0.025 0.000 2.380 97 V HA -0.206 3.913 4.120 -0.001 0.000 0.251 97 V C 1.797 177.899 176.094 0.013 0.000 1.063 97 V CA 2.113 64.421 62.300 0.014 0.000 1.055 97 V CB -1.188 30.646 31.823 0.019 0.000 0.657 97 V HN 0.747 nan 8.190 nan 0.000 0.455 98 I N -1.915 118.669 120.570 0.023 0.000 3.941 98 I HA 0.632 4.802 4.170 -0.001 0.000 0.335 98 I C 1.314 177.457 176.117 0.044 0.000 1.402 98 I CA 0.508 61.829 61.300 0.035 0.000 1.112 98 I CB -0.053 37.972 38.000 0.042 0.000 1.043 98 I HN 0.286 nan 8.210 nan 0.000 0.395 99 G N 1.585 110.399 108.800 0.024 0.000 2.160 99 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.251 99 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.251 99 G C -0.176 174.739 174.900 0.026 0.000 1.008 99 G CA -0.025 45.082 45.100 0.011 0.000 0.724 99 G HN 0.658 nan 8.290 nan 0.000 0.514 100 E N 1.625 121.843 120.200 0.030 0.000 2.089 100 E HA 0.287 4.637 4.350 -0.001 0.000 0.284 100 E C -2.154 174.453 176.600 0.011 0.000 1.023 100 E CA -1.960 54.457 56.400 0.028 0.000 0.819 100 E CB 1.259 30.977 29.700 0.029 0.000 1.076 100 E HN 0.173 nan 8.360 nan 0.000 0.396 101 P HA -0.067 nan 4.420 nan 0.000 0.257 101 P C 0.316 177.604 177.300 -0.020 0.000 1.189 101 P CA 0.576 63.671 63.100 -0.009 0.000 0.780 101 P CB -0.067 31.630 31.700 -0.005 0.000 0.772 102 I N 0.335 120.883 120.570 -0.036 0.000 3.806 102 I HA 0.078 4.248 4.170 -0.001 0.000 0.321 102 I C 0.658 176.711 176.117 -0.106 0.000 1.315 102 I CA 0.002 61.268 61.300 -0.057 0.000 1.148 102 I CB -0.590 37.379 38.000 -0.051 0.000 1.028 102 I HN 0.073 nan 8.210 nan 0.000 0.415 103 D N 0.714 121.051 120.400 -0.105 0.000 2.360 103 D HA -0.067 4.573 4.640 -0.001 0.000 0.210 103 D C 0.365 176.641 176.300 -0.039 0.000 1.047 103 D CA -0.039 53.881 54.000 -0.134 0.000 0.854 103 D CB -0.291 40.419 40.800 -0.150 0.000 0.936 103 D HN 0.486 nan 8.370 nan 0.000 0.514 104 E N -0.065 120.122 120.200 -0.022 0.000 2.287 104 E HA -0.221 4.128 4.350 -0.001 0.000 0.229 104 E C -0.278 176.334 176.600 0.019 0.000 1.194 104 E CA 0.173 56.574 56.400 0.002 0.000 0.704 104 E CB -1.236 28.468 29.700 0.006 0.000 1.216 104 E HN 0.408 nan 8.360 nan 0.000 0.381 105 R N -0.039 120.472 120.500 0.019 0.000 2.637 105 R HA 0.302 4.642 4.340 -0.001 0.000 0.446 105 R C 0.511 176.824 176.300 0.022 0.000 1.024 105 R CA 0.180 56.297 56.100 0.029 0.000 1.080 105 R CB 1.316 31.643 30.300 0.045 0.000 1.421 105 R HN 0.391 nan 8.270 nan 0.000 0.593 106 G N 2.245 111.056 108.800 0.018 0.000 2.760 106 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.246 106 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.246 106 G C -2.656 172.254 174.900 0.017 0.000 1.359 106 G CA -1.089 44.022 45.100 0.018 0.000 0.861 106 G HN 0.090 nan 8.290 nan 0.000 0.541 107 P HA 0.411 nan 4.420 nan 0.000 0.274 107 P C 0.282 177.590 177.300 0.014 0.000 1.231 107 P CA -0.386 62.730 63.100 0.027 0.000 0.790 107 P CB 0.501 32.225 31.700 0.041 0.000 0.951 108 I N 2.134 122.704 120.570 0.001 0.000 2.406 108 I HA 0.092 4.261 4.170 -0.001 0.000 0.293 108 I C 1.018 177.111 176.117 -0.040 0.000 1.101 108 I CA 0.021 61.297 61.300 -0.040 0.000 1.334 108 I CB -0.823 37.120 38.000 -0.094 0.000 1.421 108 I HN 0.217 nan 8.210 nan 0.000 0.513 109 K N 5.514 125.897 120.400 -0.028 0.000 2.187 109 K HA 0.177 4.496 4.320 -0.001 0.000 0.242 109 K C 0.523 177.096 176.600 -0.045 0.000 1.179 109 K CA -0.177 56.104 56.287 -0.010 0.000 1.097 109 K CB -0.016 32.486 32.500 0.003 0.000 1.634 109 K HN 0.681 nan 8.250 nan 0.000 0.335 110 T N -2.075 112.432 114.554 -0.079 0.000 2.925 110 T HA 0.278 4.627 4.350 -0.001 0.000 0.285 110 T C 1.046 175.716 174.700 -0.049 0.000 1.021 110 T CA -1.035 60.976 62.100 -0.148 0.000 1.042 110 T CB 1.681 70.342 68.868 -0.345 0.000 1.037 110 T HN 0.128 nan 8.240 nan 0.000 0.481 111 K N 1.090 121.452 120.400 -0.064 0.000 2.103 111 K HA 0.064 4.384 4.320 -0.001 0.000 0.204 111 K C 0.405 177.038 176.600 0.055 0.000 1.052 111 K CA 1.042 57.333 56.287 0.007 0.000 0.945 111 K CB -0.169 32.330 32.500 -0.002 0.000 0.722 111 K HN 0.658 nan 8.250 nan 0.000 0.443 112 Q N -0.632 119.155 119.800 -0.022 0.000 2.348 112 Q HA 0.477 4.816 4.340 -0.001 0.000 0.271 112 Q C -1.177 174.819 176.000 -0.007 0.000 1.067 112 Q CA -0.446 55.381 55.803 0.040 0.000 0.839 112 Q CB 1.391 30.133 28.738 0.007 0.000 1.354 112 Q HN -0.091 nan 8.270 nan 0.000 0.447 113 F N 0.858 120.779 119.950 -0.048 0.000 2.500 113 F HA 0.684 5.211 4.527 -0.001 0.000 0.349 113 F C -0.230 175.558 175.800 -0.021 0.000 1.127 113 F CA -0.767 57.207 58.000 -0.043 0.000 0.998 113 F CB 1.348 40.331 39.000 -0.028 0.000 1.237 113 F HN 0.636 nan 8.300 nan 0.000 0.439 114 A N 2.226 125.081 122.820 0.059 0.000 2.279 114 A HA 0.876 5.196 4.320 -0.001 0.000 0.303 114 A C -0.386 177.238 177.584 0.067 0.000 1.108 114 A CA -0.423 51.652 52.037 0.063 0.000 0.830 114 A CB 0.636 19.660 19.000 0.039 0.000 1.106 114 A HN 0.814 nan 8.150 nan 0.000 0.493 115 A N 0.648 123.507 122.820 0.064 0.000 2.310 115 A HA 0.521 4.841 4.320 -0.001 0.000 0.299 115 A C 0.877 178.471 177.584 0.017 0.000 1.147 115 A CA -0.166 51.907 52.037 0.060 0.000 0.818 115 A CB -0.084 18.966 19.000 0.083 0.000 1.096 115 A HN 1.396 nan 8.150 nan 0.000 0.495 116 I N -1.302 119.246 120.570 -0.036 0.000 3.291 116 I HA 0.073 4.243 4.170 -0.001 0.000 0.279 116 I C -0.014 175.944 176.117 -0.265 0.000 1.294 116 I CA 0.494 61.704 61.300 -0.151 0.000 1.428 116 I CB -0.300 37.578 38.000 -0.204 0.000 1.070 116 I HN 0.448 nan 8.210 nan 0.000 0.478 117 H N 2.695 121.779 119.070 0.024 0.000 2.690 117 H HA 0.740 5.295 4.556 -0.001 0.000 0.280 117 H C -0.293 175.044 175.328 0.016 0.000 1.138 117 H CA -0.358 55.702 56.048 0.021 0.000 1.241 117 H CB 1.120 30.897 29.762 0.024 0.000 1.394 117 H HN 0.412 nan 8.280 nan 0.000 0.489 118 A N 2.911 125.790 122.820 0.098 0.000 2.387 118 A HA 0.521 4.841 4.320 -0.001 0.000 0.298 118 A C -0.151 177.464 177.584 0.051 0.000 1.165 118 A CA -0.837 51.237 52.037 0.061 0.000 0.814 118 A CB 1.687 20.706 19.000 0.032 0.000 1.357 118 A HN 0.436 nan 8.150 nan 0.000 0.443 119 E N 0.513 120.735 120.200 0.036 0.000 2.266 119 E HA 0.499 4.849 4.350 -0.001 0.000 0.277 119 E C -0.025 176.588 176.600 0.022 0.000 1.018 119 E CA -0.261 56.157 56.400 0.030 0.000 0.840 119 E CB 1.694 31.410 29.700 0.027 0.000 1.082 119 E HN 0.742 nan 8.360 nan 0.000 0.395 120 A N 4.592 127.425 122.820 0.023 0.000 2.488 120 A HA 0.319 4.639 4.320 -0.001 0.000 0.249 120 A C -2.009 175.589 177.584 0.023 0.000 1.083 120 A CA -1.028 51.020 52.037 0.019 0.000 0.768 120 A CB -0.499 18.517 19.000 0.026 0.000 1.017 120 A HN 0.306 nan 8.150 nan 0.000 0.496 121 P HA 0.013 nan 4.420 nan 0.000 0.263 121 P C 0.071 177.390 177.300 0.032 0.000 1.175 121 P CA 0.342 63.450 63.100 0.013 0.000 0.761 121 P CB 0.427 32.126 31.700 -0.002 0.000 0.794 122 E N 1.631 121.853 120.200 0.036 0.000 2.409 122 E HA -0.032 4.318 4.350 -0.001 0.000 0.257 122 E C 0.867 177.524 176.600 0.095 0.000 1.150 122 E CA -0.154 56.290 56.400 0.073 0.000 0.942 122 E CB 0.197 29.936 29.700 0.066 0.000 0.979 122 E HN 0.412 nan 8.360 nan 0.000 0.447 123 F N 2.217 122.168 119.950 0.002 0.000 2.154 123 F HA -0.255 4.271 4.527 -0.001 0.000 0.301 123 F C 1.888 177.688 175.800 -0.001 0.000 1.087 123 F CA 1.961 59.962 58.000 0.001 0.000 1.274 123 F CB -0.209 38.792 39.000 0.001 0.000 1.009 123 F HN 0.283 nan 8.300 nan 0.000 0.485 124 V N -2.232 117.679 119.914 -0.005 0.000 2.667 124 V HA -0.156 3.963 4.120 -0.001 0.000 0.252 124 V C 1.734 177.755 176.094 -0.122 0.000 1.065 124 V CA 1.869 64.112 62.300 -0.095 0.000 1.083 124 V CB -1.054 30.782 31.823 0.023 0.000 0.692 124 V HN 0.389 nan 8.190 nan 0.000 0.468 125 E N 0.063 120.213 120.200 -0.082 0.000 2.511 125 E HA 0.082 4.432 4.350 -0.001 0.000 0.196 125 E C 0.594 177.135 176.600 -0.098 0.000 1.066 125 E CA -0.022 56.337 56.400 -0.069 0.000 0.871 125 E CB -0.023 29.656 29.700 -0.034 0.000 0.863 125 E HN 0.464 nan 8.360 nan 0.000 0.520 126 M N 0.538 120.039 119.600 -0.166 0.000 2.243 126 M HA 0.113 4.593 4.480 -0.001 0.000 0.341 126 M C 0.315 176.527 176.300 -0.146 0.000 1.130 126 M CA 0.180 55.380 55.300 -0.166 0.000 1.162 126 M CB 1.200 33.652 32.600 -0.247 0.000 1.497 126 M HN -0.204 nan 8.290 nan 0.000 0.456 127 S N 0.937 116.576 115.700 -0.101 0.000 2.537 127 S HA 0.691 5.161 4.470 -0.001 0.000 0.301 127 S C 0.507 175.066 174.600 -0.068 0.000 1.092 127 S CA -0.813 57.340 58.200 -0.079 0.000 1.048 127 S CB 1.078 64.246 63.200 -0.055 0.000 1.053 127 S HN 0.537 nan 8.310 nan 0.000 0.501 128 V N 0.368 120.247 119.914 -0.058 0.000 3.502 128 V HA 0.458 4.578 4.120 -0.001 0.000 0.288 128 V C 0.160 176.237 176.094 -0.029 0.000 1.461 128 V CA -0.355 61.919 62.300 -0.043 0.000 1.029 128 V CB -0.272 31.523 31.823 -0.046 0.000 0.843 128 V HN 0.669 nan 8.190 nan 0.000 0.438 129 E N 3.781 123.964 120.200 -0.028 0.000 2.384 129 E HA 0.334 4.684 4.350 -0.001 0.000 0.266 129 E C -0.214 176.377 176.600 -0.014 0.000 1.012 129 E CA 0.376 56.764 56.400 -0.019 0.000 0.901 129 E CB 0.667 30.356 29.700 -0.018 0.000 0.967 129 E HN 0.866 nan 8.360 nan 0.000 0.435 130 Q N 0.816 120.611 119.800 -0.009 0.000 2.284 130 Q HA 0.591 4.931 4.340 -0.001 0.000 0.269 130 Q C -0.962 175.037 176.000 -0.002 0.000 1.026 130 Q CA -0.694 55.107 55.803 -0.003 0.000 0.831 130 Q CB 2.070 30.808 28.738 -0.000 0.000 1.322 130 Q HN 0.342 nan 8.270 nan 0.000 0.419 131 E N 1.973 122.175 120.200 0.004 0.000 2.336 131 E HA 0.473 4.823 4.350 -0.001 0.000 0.267 131 E C -1.043 175.565 176.600 0.014 0.000 0.906 131 E CA -1.096 55.306 56.400 0.005 0.000 0.781 131 E CB 2.945 32.650 29.700 0.008 0.000 1.261 131 E HN 0.645 nan 8.360 nan 0.000 0.436 132 I N 2.579 123.153 120.570 0.006 0.000 2.533 132 I HA 0.070 4.240 4.170 -0.001 0.000 0.284 132 I C -0.875 175.262 176.117 0.033 0.000 1.109 132 I CA -0.255 61.053 61.300 0.013 0.000 1.412 132 I CB 0.313 38.302 38.000 -0.017 0.000 1.396 132 I HN 0.368 nan 8.210 nan 0.000 0.543 133 L N 9.183 130.441 121.223 0.057 0.000 2.270 133 L HA 0.328 4.668 4.340 -0.001 0.000 0.286 133 L C -0.587 176.315 176.870 0.054 0.000 1.059 133 L CA -0.351 54.531 54.840 0.069 0.000 0.839 133 L CB 0.937 43.058 42.059 0.103 0.000 1.221 133 L HN 0.384 nan 8.230 nan 0.000 0.431 134 V N 4.371 124.308 119.914 0.038 0.000 2.485 134 V HA 0.050 4.170 4.120 -0.001 0.000 0.287 134 V C 1.533 177.636 176.094 0.016 0.000 1.022 134 V CA 0.779 63.092 62.300 0.022 0.000 1.067 134 V CB 0.553 32.394 31.823 0.030 0.000 0.967 134 V HN 0.948 nan 8.190 nan 0.000 0.479 135 T N 0.620 115.163 114.554 -0.018 0.000 3.031 135 T HA 0.250 4.600 4.350 -0.001 0.000 0.254 135 T C 1.514 176.187 174.700 -0.046 0.000 1.060 135 T CA 0.926 63.012 62.100 -0.023 0.000 1.135 135 T CB 0.295 69.127 68.868 -0.060 0.000 0.896 135 T HN 1.546 nan 8.240 nan 0.000 0.472 136 G N 1.401 110.175 108.800 -0.043 0.000 2.175 136 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.244 136 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.244 136 G C -0.001 174.863 174.900 -0.060 0.000 0.982 136 G CA 0.037 45.111 45.100 -0.043 0.000 0.641 136 G HN 0.661 nan 8.290 nan 0.000 0.527 137 I N 1.051 121.577 120.570 -0.073 0.000 2.325 137 I HA 0.265 4.435 4.170 -0.001 0.000 0.291 137 I C 1.604 177.713 176.117 -0.015 0.000 1.019 137 I CA -0.644 60.638 61.300 -0.029 0.000 1.302 137 I CB 1.342 39.332 38.000 -0.016 0.000 1.401 137 I HN -0.009 nan 8.210 nan 0.000 0.485 138 K N 3.657 124.058 120.400 0.002 0.000 2.063 138 K HA -0.140 4.180 4.320 -0.001 0.000 0.208 138 K C 1.712 178.288 176.600 -0.041 0.000 1.048 138 K CA 1.264 57.540 56.287 -0.017 0.000 0.928 138 K CB -0.072 32.388 32.500 -0.068 0.000 0.713 138 K HN 0.551 nan 8.250 nan 0.000 0.442 139 V N 0.577 120.475 119.914 -0.026 0.000 2.358 139 V HA -0.195 3.924 4.120 -0.001 0.000 0.246 139 V C 2.256 178.303 176.094 -0.080 0.000 1.047 139 V CA 1.400 63.665 62.300 -0.059 0.000 1.035 139 V CB -0.533 31.289 31.823 -0.002 0.000 0.658 139 V HN 0.045 nan 8.190 nan 0.000 0.452 140 V N 0.620 120.479 119.914 -0.091 0.000 2.239 140 V HA -0.196 3.924 4.120 -0.001 0.000 0.242 140 V C 2.322 178.309 176.094 -0.178 0.000 1.038 140 V CA 2.194 64.370 62.300 -0.207 0.000 1.002 140 V CB -0.794 30.764 31.823 -0.442 0.000 0.641 140 V HN 0.480 nan 8.190 nan 0.000 0.449 141 D N -0.069 120.251 120.400 -0.133 0.000 2.265 141 D HA -0.161 4.479 4.640 -0.001 0.000 0.208 141 D C 1.796 178.145 176.300 0.081 0.000 0.977 141 D CA 1.152 55.133 54.000 -0.033 0.000 0.871 141 D CB -0.134 40.661 40.800 -0.008 0.000 0.925 141 D HN 0.389 nan 8.370 nan 0.000 0.485 142 L N -0.678 120.534 121.223 -0.018 0.000 2.145 142 L HA 0.085 4.424 4.340 -0.001 0.000 0.201 142 L C 1.884 178.757 176.870 0.005 0.000 1.075 142 L CA 1.064 55.861 54.840 -0.073 0.000 0.773 142 L CB 0.023 41.933 42.059 -0.248 0.000 0.936 142 L HN -0.057 nan 8.230 nan 0.000 0.451 143 L N -0.843 120.347 121.223 -0.055 0.000 2.349 143 L HA 0.354 4.693 4.340 -0.001 0.000 0.200 143 L C 0.789 177.660 176.870 0.002 0.000 1.064 143 L CA 0.525 55.333 54.840 -0.053 0.000 0.821 143 L CB -0.159 41.840 42.059 -0.100 0.000 1.027 143 L HN 0.200 nan 8.230 nan 0.000 0.476 144 A N 0.874 123.694 122.820 0.000 0.000 3.216 144 A HA 0.483 4.802 4.320 -0.001 0.000 0.321 144 A C -2.608 174.970 177.584 -0.009 0.000 1.042 144 A CA -1.039 51.022 52.037 0.040 0.000 0.838 144 A CB -0.164 18.891 19.000 0.092 0.000 1.136 144 A HN -0.109 nan 8.150 nan 0.000 0.483 145 P HA 0.260 nan 4.420 nan 0.000 0.274 145 P C -1.029 176.293 177.300 0.035 0.000 1.237 145 P CA 0.123 63.154 63.100 -0.116 0.000 0.793 145 P CB 0.566 32.237 31.700 -0.047 0.000 0.977 146 Y N -0.059 120.259 120.300 0.031 0.000 2.308 146 Y HA 0.450 4.999 4.550 -0.001 0.000 0.329 146 Y C 1.067 176.972 175.900 0.008 0.000 1.111 146 Y CA -1.505 56.608 58.100 0.021 0.000 1.179 146 Y CB 0.121 38.595 38.460 0.023 0.000 1.201 146 Y HN 0.379 nan 8.280 nan 0.000 0.483 147 A N 3.753 126.676 122.820 0.172 0.000 2.331 147 A HA 0.330 4.650 4.320 -0.001 0.000 0.283 147 A C 0.157 177.772 177.584 0.052 0.000 1.142 147 A CA -0.882 51.203 52.037 0.080 0.000 0.812 147 A CB 0.112 19.142 19.000 0.050 0.000 1.074 147 A HN 0.750 nan 8.150 nan 0.000 0.497 148 K N 1.627 122.049 120.400 0.037 0.000 2.378 148 K HA 0.370 4.689 4.320 -0.001 0.000 0.288 148 K C 1.072 177.670 176.600 -0.003 0.000 1.057 148 K CA 1.104 57.402 56.287 0.018 0.000 0.971 148 K CB -0.012 32.503 32.500 0.025 0.000 0.975 148 K HN 1.500 nan 8.250 nan 0.000 0.475 149 G N 2.612 111.396 108.800 -0.026 0.000 2.143 149 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.249 149 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.249 149 G C 0.256 175.130 174.900 -0.043 0.000 0.981 149 G CA -0.106 44.972 45.100 -0.038 0.000 0.665 149 G HN 0.884 nan 8.290 nan 0.000 0.528 150 G N -0.702 108.073 108.800 -0.042 0.000 2.491 150 G HA2 0.618 4.578 3.960 -0.001 0.000 0.327 150 G HA3 0.618 4.578 3.960 -0.001 0.000 0.327 150 G C -0.204 174.649 174.900 -0.079 0.000 1.189 150 G CA -0.832 44.244 45.100 -0.040 0.000 0.956 150 G HN 0.322 nan 8.290 nan 0.000 0.491 151 K N 0.202 120.561 120.400 -0.069 0.000 2.248 151 K HA 0.419 4.738 4.320 -0.001 0.000 0.281 151 K C -0.981 175.542 176.600 -0.128 0.000 1.054 151 K CA -0.143 56.084 56.287 -0.099 0.000 0.903 151 K CB 1.727 34.192 32.500 -0.058 0.000 1.077 151 K HN 0.226 nan 8.250 nan 0.000 0.474 152 I N 1.467 121.908 120.570 -0.215 0.000 2.418 152 I HA 0.276 4.445 4.170 -0.001 0.000 0.287 152 I C 0.189 176.134 176.117 -0.286 0.000 1.008 152 I CA -0.496 60.609 61.300 -0.325 0.000 1.104 152 I CB 2.179 39.794 38.000 -0.642 0.000 1.264 152 I HN 0.615 nan 8.210 nan 0.000 0.438 153 G N 6.792 115.454 108.800 -0.230 0.000 2.416 153 G HA2 0.708 4.668 3.960 -0.001 0.000 0.324 153 G HA3 0.708 4.668 3.960 -0.001 0.000 0.324 153 G C -0.824 173.918 174.900 -0.263 0.000 1.194 153 G CA -0.498 44.413 45.100 -0.315 0.000 0.922 153 G HN 0.476 nan 8.290 nan 0.000 0.467 154 L N 2.788 123.827 121.223 -0.307 0.000 2.335 154 L HA 0.385 4.725 4.340 -0.001 0.000 0.268 154 L C -0.600 176.156 176.870 -0.191 0.000 1.037 154 L CA -0.611 54.155 54.840 -0.123 0.000 0.895 154 L CB 0.389 42.434 42.059 -0.023 0.000 1.266 154 L HN 0.350 nan 8.230 nan 0.000 0.439 155 F N 1.203 121.122 119.950 -0.052 0.000 2.410 155 F HA 0.653 5.180 4.527 -0.001 0.000 0.334 155 F C 1.163 176.943 175.800 -0.034 0.000 1.134 155 F CA 0.075 58.030 58.000 -0.075 0.000 1.227 155 F CB 1.461 40.401 39.000 -0.100 0.000 1.194 155 F HN 0.428 nan 8.300 nan 0.000 0.571 156 G N 0.660 109.532 108.800 0.119 0.000 2.433 156 G HA2 0.447 4.406 3.960 -0.001 0.000 0.306 156 G HA3 0.447 4.406 3.960 -0.001 0.000 0.306 156 G C -0.637 174.224 174.900 -0.066 0.000 1.627 156 G CA -0.444 44.682 45.100 0.043 0.000 0.893 156 G HN 0.941 nan 8.290 nan 0.000 0.648 157 G N -0.211 108.536 108.800 -0.089 0.000 2.570 157 G HA2 0.642 4.602 3.960 -0.001 0.000 0.276 157 G HA3 0.642 4.602 3.960 -0.001 0.000 0.276 157 G C 0.790 175.694 174.900 0.008 0.000 1.346 157 G CA 0.383 45.385 45.100 -0.164 0.000 1.034 157 G HN 1.822 nan 8.290 nan 0.000 0.512 158 A N -0.964 121.923 122.820 0.111 0.000 2.457 158 A HA 0.562 4.882 4.320 -0.001 0.000 0.298 158 A C 1.178 178.832 177.584 0.118 0.000 1.288 158 A CA 0.738 52.913 52.037 0.230 0.000 0.956 158 A CB -0.837 18.336 19.000 0.287 0.000 1.135 158 A HN 2.463 nan 8.150 nan 0.000 0.535 159 G N 1.063 109.925 108.800 0.104 0.000 2.215 159 G HA2 -0.047 3.913 3.960 -0.001 0.000 0.198 159 G HA3 -0.047 3.913 3.960 -0.001 0.000 0.198 159 G C 0.427 175.376 174.900 0.081 0.000 1.047 159 G CA 0.466 45.607 45.100 0.069 0.000 0.747 159 G HN 2.011 nan 8.290 nan 0.000 0.495 160 V N -3.894 116.076 119.914 0.093 0.000 3.612 160 V HA 0.724 4.843 4.120 -0.001 0.000 0.268 160 V C 1.545 177.737 176.094 0.164 0.000 1.365 160 V CA 1.054 63.421 62.300 0.111 0.000 1.044 160 V CB 0.622 32.471 31.823 0.044 0.000 0.820 160 V HN 2.202 nan 8.190 nan 0.000 0.444 161 G N 0.957 109.832 108.800 0.126 0.000 2.189 161 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.113 161 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.113 161 G C 0.399 175.376 174.900 0.129 0.000 1.038 161 G CA 0.208 45.382 45.100 0.124 0.000 0.704 161 G HN 0.394 nan 8.290 nan 0.000 0.490 162 K N -0.282 120.188 120.400 0.117 0.000 2.002 162 K HA -0.076 4.243 4.320 -0.001 0.000 0.209 162 K C 2.617 179.294 176.600 0.129 0.000 1.048 162 K CA 2.030 58.386 56.287 0.115 0.000 0.930 162 K CB -0.260 32.301 32.500 0.101 0.000 0.714 162 K HN 0.355 nan 8.250 nan 0.000 0.438 163 T N 1.274 115.906 114.554 0.130 0.000 2.701 163 T HA -0.110 4.240 4.350 -0.001 0.000 0.263 163 T C 2.134 176.929 174.700 0.157 0.000 1.040 163 T CA 1.340 63.528 62.100 0.145 0.000 1.147 163 T CB -0.406 68.547 68.868 0.141 0.000 0.865 163 T HN -0.071 nan 8.240 nan 0.000 0.426 164 V N 1.755 121.764 119.914 0.158 0.000 2.324 164 V HA -0.144 3.975 4.120 -0.001 0.000 0.250 164 V C 2.429 178.693 176.094 0.283 0.000 1.060 164 V CA 1.430 63.855 62.300 0.209 0.000 1.042 164 V CB -0.797 31.125 31.823 0.166 0.000 0.650 164 V HN 0.301 nan 8.190 nan 0.000 0.450 165 L N -0.241 121.151 121.223 0.282 0.000 2.056 165 L HA -0.037 4.303 4.340 -0.001 0.000 0.207 165 L C 2.107 179.107 176.870 0.218 0.000 1.078 165 L CA 1.674 56.731 54.840 0.361 0.000 0.749 165 L CB -0.529 41.722 42.059 0.321 0.000 0.901 165 L HN 0.261 nan 8.230 nan 0.000 0.433 166 I N -1.227 119.439 120.570 0.159 0.000 2.493 166 I HA -0.273 3.897 4.170 -0.001 0.000 0.254 166 I C 2.038 178.156 176.117 0.003 0.000 1.160 166 I CA 0.793 62.152 61.300 0.099 0.000 1.445 166 I CB 0.069 38.142 38.000 0.122 0.000 1.086 166 I HN 0.296 nan 8.210 nan 0.000 0.433 167 M N -0.165 119.462 119.600 0.044 0.000 2.132 167 M HA -0.196 4.284 4.480 -0.001 0.000 0.263 167 M C 2.163 178.427 176.300 -0.060 0.000 1.065 167 M CA 1.565 56.852 55.300 -0.020 0.000 1.122 167 M CB -1.303 31.323 32.600 0.045 0.000 1.365 167 M HN 0.179 nan 8.290 nan 0.000 0.411 168 E N 0.830 121.018 120.200 -0.019 0.000 2.077 168 E HA -0.124 4.226 4.350 -0.001 0.000 0.193 168 E C 2.030 178.540 176.600 -0.150 0.000 0.989 168 E CA 1.208 57.523 56.400 -0.141 0.000 0.800 168 E CB -0.322 29.143 29.700 -0.392 0.000 0.746 168 E HN 0.484 nan 8.360 nan 0.000 0.452 169 L N 0.077 121.247 121.223 -0.088 0.000 2.131 169 L HA -0.154 4.185 4.340 -0.001 0.000 0.210 169 L C 2.376 179.202 176.870 -0.074 0.000 1.092 169 L CA 0.903 55.731 54.840 -0.019 0.000 0.759 169 L CB -0.402 41.727 42.059 0.118 0.000 0.903 169 L HN 0.234 nan 8.230 nan 0.000 0.435 170 I N -0.123 120.281 120.570 -0.275 0.000 2.202 170 I HA -0.281 3.888 4.170 -0.001 0.000 0.242 170 I C 2.384 178.423 176.117 -0.131 0.000 1.091 170 I CA 1.425 62.505 61.300 -0.367 0.000 1.368 170 I CB -0.458 37.215 38.000 -0.545 0.000 1.058 170 I HN 0.330 nan 8.210 nan 0.000 0.410 171 N N 1.663 120.294 118.700 -0.115 0.000 2.043 171 N HA -0.234 4.506 4.740 -0.001 0.000 0.193 171 N C 1.524 177.008 175.510 -0.042 0.000 1.037 171 N CA 2.117 55.125 53.050 -0.070 0.000 0.851 171 N CB -0.237 38.205 38.487 -0.076 0.000 1.027 171 N HN 0.193 nan 8.380 nan 0.000 0.422 172 N N -1.060 117.608 118.700 -0.054 0.000 2.331 172 N HA -0.028 4.711 4.740 -0.001 0.000 0.180 172 N C 1.226 176.746 175.510 0.016 0.000 1.019 172 N CA 0.894 53.923 53.050 -0.035 0.000 0.881 172 N CB 0.143 38.587 38.487 -0.071 0.000 0.972 172 N HN 0.198 nan 8.380 nan 0.000 0.435 173 V N -0.465 119.478 119.914 0.048 0.000 2.950 173 V HA 0.269 4.389 4.120 -0.001 0.000 0.231 173 V C 2.058 178.229 176.094 0.129 0.000 1.205 173 V CA 0.869 63.226 62.300 0.094 0.000 1.239 173 V CB -0.832 31.066 31.823 0.126 0.000 1.050 173 V HN 0.156 nan 8.190 nan 0.000 0.498 174 A N 0.319 123.229 122.820 0.151 0.000 1.902 174 A HA -0.228 4.091 4.320 -0.001 0.000 0.217 174 A C 2.179 179.866 177.584 0.171 0.000 1.181 174 A CA 2.169 54.321 52.037 0.193 0.000 0.623 174 A CB -0.472 18.675 19.000 0.246 0.000 0.818 174 A HN 0.520 nan 8.150 nan 0.000 0.443 175 K N -0.462 119.994 120.400 0.094 0.000 2.009 175 K HA -0.091 4.229 4.320 -0.001 0.000 0.210 175 K C 1.668 178.308 176.600 0.067 0.000 1.049 175 K CA 1.375 57.700 56.287 0.062 0.000 0.929 175 K CB -0.284 32.230 32.500 0.024 0.000 0.714 175 K HN 0.411 nan 8.250 nan 0.000 0.440 176 A N 1.100 123.963 122.820 0.071 0.000 2.411 176 A HA 0.004 4.323 4.320 -0.001 0.000 0.251 176 A C -0.317 177.321 177.584 0.090 0.000 1.317 176 A CA -0.125 51.947 52.037 0.058 0.000 0.904 176 A CB -0.623 18.402 19.000 0.041 0.000 0.993 176 A HN 0.292 nan 8.150 nan 0.000 0.504 177 H N -1.316 117.763 119.070 0.014 0.000 2.517 177 H HA 0.506 5.061 4.556 -0.001 0.000 0.317 177 H C 1.350 176.663 175.328 -0.026 0.000 1.080 177 H CA 0.227 56.278 56.048 0.005 0.000 1.301 177 H CB 1.277 31.057 29.762 0.029 0.000 1.425 177 H HN 0.067 nan 8.280 nan 0.000 0.471 178 G N 3.205 111.660 108.800 -0.576 0.000 2.408 178 G HA2 -0.046 3.914 3.960 -0.001 0.000 0.217 178 G HA3 -0.046 3.914 3.960 -0.001 0.000 0.217 178 G C 0.922 175.462 174.900 -0.600 0.000 1.150 178 G CA 0.430 45.252 45.100 -0.464 0.000 0.776 178 G HN 0.781 nan 8.290 nan 0.000 0.542 179 G N -1.194 106.999 108.800 -1.011 0.000 2.494 179 G HA2 0.455 4.414 3.960 -0.001 0.000 0.270 179 G HA3 0.455 4.414 3.960 -0.001 0.000 0.270 179 G C -0.850 173.879 174.900 -0.284 0.000 1.423 179 G CA -0.763 43.978 45.100 -0.599 0.000 1.055 179 G HN 0.091 nan 8.290 nan 0.000 0.536 180 Y N -0.708 119.651 120.300 0.098 0.000 2.335 180 Y HA 0.565 5.115 4.550 -0.001 0.000 0.323 180 Y C 0.735 176.615 175.900 -0.033 0.000 1.224 180 Y CA -0.606 57.475 58.100 -0.031 0.000 1.241 180 Y CB 1.845 40.137 38.460 -0.279 0.000 1.235 180 Y HN 0.289 nan 8.280 nan 0.000 0.492 181 S N 0.662 116.414 115.700 0.086 0.000 2.548 181 S HA 0.726 5.196 4.470 -0.001 0.000 0.286 181 S C -1.379 173.203 174.600 -0.030 0.000 1.098 181 S CA -0.869 57.347 58.200 0.027 0.000 0.930 181 S CB 1.915 65.224 63.200 0.181 0.000 1.070 181 S HN 0.287 nan 8.310 nan 0.000 0.480 182 V N 3.045 122.939 119.914 -0.034 0.000 2.419 182 V HA 0.417 4.536 4.120 -0.001 0.000 0.287 182 V C -1.044 175.105 176.094 0.092 0.000 1.017 182 V CA -0.576 61.715 62.300 -0.015 0.000 0.844 182 V CB 0.737 32.504 31.823 -0.094 0.000 1.011 182 V HN 0.862 nan 8.190 nan 0.000 0.429 183 F N 3.981 123.955 119.950 0.040 0.000 2.394 183 F HA 0.751 5.278 4.527 -0.001 0.000 0.340 183 F C 0.423 176.141 175.800 -0.137 0.000 1.105 183 F CA -0.259 57.760 58.000 0.031 0.000 1.124 183 F CB 1.282 40.307 39.000 0.042 0.000 1.145 183 F HN 0.534 nan 8.300 nan 0.000 0.505 184 A N 4.559 127.007 122.820 -0.620 0.000 2.457 184 A HA 0.568 4.888 4.320 -0.001 0.000 0.283 184 A C -0.291 176.906 177.584 -0.645 0.000 1.166 184 A CA -0.313 51.425 52.037 -0.497 0.000 0.740 184 A CB 0.201 19.015 19.000 -0.311 0.000 1.181 184 A HN 1.050 nan 8.150 nan 0.000 0.446 185 G N 1.044 109.461 108.800 -0.638 0.000 2.360 185 G HA2 0.489 4.448 3.960 -0.001 0.000 0.279 185 G HA3 0.489 4.448 3.960 -0.001 0.000 0.279 185 G C -0.452 174.366 174.900 -0.136 0.000 1.189 185 G CA -0.043 44.870 45.100 -0.312 0.000 0.941 185 G HN 0.850 nan 8.290 nan 0.000 0.445 186 V N 3.025 122.892 119.914 -0.079 0.000 2.349 186 V HA 0.601 4.721 4.120 -0.001 0.000 0.284 186 V C 1.143 177.254 176.094 0.029 0.000 1.014 186 V CA 0.364 62.650 62.300 -0.022 0.000 0.826 186 V CB 0.653 32.452 31.823 -0.040 0.000 1.009 186 V HN 1.407 nan 8.190 nan 0.000 0.431 187 G N 3.346 112.174 108.800 0.047 0.000 2.189 187 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.267 187 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.267 187 G C 0.407 175.341 174.900 0.058 0.000 0.975 187 G CA 0.600 45.727 45.100 0.045 0.000 0.644 187 G HN 0.565 nan 8.290 nan 0.000 0.537 188 E N -0.009 120.244 120.200 0.088 0.000 4.416 188 E HA 0.408 4.758 4.350 -0.001 0.000 0.416 188 E C 1.044 177.705 176.600 0.102 0.000 1.099 188 E CA -0.545 55.913 56.400 0.095 0.000 2.560 188 E CB 0.221 29.996 29.700 0.125 0.000 1.873 188 E HN 0.439 nan 8.360 nan 0.000 0.726 189 R N 0.133 120.701 120.500 0.113 0.000 2.357 189 R HA 0.216 4.556 4.340 -0.001 0.000 0.296 189 R C 1.319 177.676 176.300 0.095 0.000 1.052 189 R CA -0.015 56.138 56.100 0.088 0.000 0.988 189 R CB 0.540 30.886 30.300 0.076 0.000 1.025 189 R HN 0.354 nan 8.270 nan 0.000 0.469 190 T N 1.659 116.242 114.554 0.048 0.000 2.788 190 T HA -0.161 4.189 4.350 -0.001 0.000 0.268 190 T C 1.734 176.407 174.700 -0.044 0.000 1.044 190 T CA 1.145 63.237 62.100 -0.014 0.000 1.139 190 T CB -0.109 68.743 68.868 -0.027 0.000 0.867 190 T HN 0.500 nan 8.240 nan 0.000 0.454 191 R N 1.073 121.572 120.500 -0.001 0.000 2.073 191 R HA -0.121 4.218 4.340 -0.001 0.000 0.234 191 R C 2.279 178.588 176.300 0.015 0.000 1.134 191 R CA 1.641 57.744 56.100 0.006 0.000 0.952 191 R CB -0.146 30.170 30.300 0.027 0.000 0.850 191 R HN 0.490 nan 8.270 nan 0.000 0.433 192 E N -1.087 119.143 120.200 0.051 0.000 2.118 192 E HA -0.158 4.192 4.350 -0.001 0.000 0.195 192 E C 1.834 178.466 176.600 0.053 0.000 0.992 192 E CA 1.164 57.610 56.400 0.078 0.000 0.804 192 E CB -0.193 29.587 29.700 0.133 0.000 0.741 192 E HN 0.590 nan 8.360 nan 0.000 0.458 193 G N 1.030 109.845 108.800 0.025 0.000 2.402 193 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.216 193 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.216 193 G C 1.409 176.162 174.900 -0.246 0.000 1.162 193 G CA 0.959 45.969 45.100 -0.149 0.000 0.777 193 G HN 0.187 nan 8.290 nan 0.000 0.539 194 N N 1.106 119.685 118.700 -0.202 0.000 2.043 194 N HA -0.125 4.614 4.740 -0.001 0.000 0.193 194 N C 1.743 177.213 175.510 -0.067 0.000 1.037 194 N CA 1.854 54.815 53.050 -0.149 0.000 0.851 194 N CB -0.234 38.206 38.487 -0.078 0.000 1.027 194 N HN 0.169 nan 8.380 nan 0.000 0.422 195 D N 0.123 120.522 120.400 -0.003 0.000 2.106 195 D HA -0.184 4.456 4.640 -0.001 0.000 0.191 195 D C 1.948 178.251 176.300 0.005 0.000 0.997 195 D CA 0.936 54.958 54.000 0.036 0.000 0.834 195 D CB -0.659 40.159 40.800 0.030 0.000 0.956 195 D HN 0.314 nan 8.370 nan 0.000 0.448 196 L N -0.150 121.048 121.223 -0.041 0.000 2.141 196 L HA -0.164 4.175 4.340 -0.001 0.000 0.209 196 L C 2.213 179.054 176.870 -0.047 0.000 1.094 196 L CA 1.312 56.097 54.840 -0.092 0.000 0.763 196 L CB -0.563 41.364 42.059 -0.221 0.000 0.908 196 L HN -0.008 nan 8.230 nan 0.000 0.437 197 Y N -0.435 119.750 120.300 -0.192 0.000 2.145 197 Y HA -0.255 4.295 4.550 -0.001 0.000 0.286 197 Y C 2.673 178.479 175.900 -0.157 0.000 1.145 197 Y CA 2.106 60.081 58.100 -0.208 0.000 1.148 197 Y CB -0.455 37.806 38.460 -0.332 0.000 0.981 197 Y HN 0.353 nan 8.280 nan 0.000 0.507 198 H N -0.101 118.891 119.070 -0.129 0.000 2.428 198 H HA -0.026 4.529 4.556 -0.001 0.000 0.296 198 H C 1.769 177.006 175.328 -0.151 0.000 1.062 198 H CA 1.636 57.566 56.048 -0.196 0.000 1.350 198 H CB -0.143 29.558 29.762 -0.101 0.000 1.403 198 H HN 0.536 nan 8.280 nan 0.000 0.533 199 E N -0.309 119.896 120.200 0.009 0.000 2.502 199 E HA 0.033 4.383 4.350 -0.001 0.000 0.194 199 E C 1.457 178.024 176.600 -0.054 0.000 1.062 199 E CA 0.023 56.407 56.400 -0.027 0.000 0.867 199 E CB 0.292 29.974 29.700 -0.029 0.000 0.888 199 E HN 0.351 nan 8.360 nan 0.000 0.510 200 M N -0.420 119.137 119.600 -0.073 0.000 2.337 200 M HA 0.164 4.643 4.480 -0.001 0.000 0.256 200 M C 1.571 177.823 176.300 -0.080 0.000 1.075 200 M CA 0.210 55.471 55.300 -0.064 0.000 1.024 200 M CB 0.607 33.180 32.600 -0.045 0.000 1.429 200 M HN 0.126 nan 8.290 nan 0.000 0.497 201 I N -0.161 120.328 120.570 -0.134 0.000 2.494 201 I HA -0.154 4.016 4.170 -0.001 0.000 0.250 201 I C 2.288 178.358 176.117 -0.080 0.000 1.112 201 I CA 0.700 61.916 61.300 -0.139 0.000 1.438 201 I CB -0.036 37.822 38.000 -0.236 0.000 1.111 201 I HN 0.163 nan 8.210 nan 0.000 0.431 202 E N 0.976 121.136 120.200 -0.066 0.000 2.038 202 E HA -0.218 4.132 4.350 -0.001 0.000 0.195 202 E C 2.358 178.934 176.600 -0.041 0.000 1.000 202 E CA 2.009 58.379 56.400 -0.051 0.000 0.803 202 E CB -0.501 29.171 29.700 -0.047 0.000 0.750 202 E HN 0.509 nan 8.360 nan 0.000 0.448 203 S N -0.733 114.944 115.700 -0.038 0.000 2.370 203 S HA -0.064 4.405 4.470 -0.001 0.000 0.226 203 S C 1.711 176.299 174.600 -0.020 0.000 1.033 203 S CA 1.509 59.692 58.200 -0.028 0.000 1.011 203 S CB -0.217 62.966 63.200 -0.028 0.000 0.852 203 S HN 0.423 nan 8.310 nan 0.000 0.457 204 G N -0.393 108.394 108.800 -0.021 0.000 2.148 204 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.157 204 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.157 204 G C 0.541 175.443 174.900 0.004 0.000 1.012 204 G CA 0.058 45.152 45.100 -0.011 0.000 0.677 204 G HN 0.614 nan 8.290 nan 0.000 0.506 205 V N 0.153 120.071 119.914 0.007 0.000 2.379 205 V HA 0.203 4.322 4.120 -0.001 0.000 0.245 205 V C 1.566 177.684 176.094 0.040 0.000 1.044 205 V CA 1.559 63.878 62.300 0.031 0.000 1.036 205 V CB -0.206 31.639 31.823 0.036 0.000 0.664 205 V HN 0.465 nan 8.190 nan 0.000 0.453 206 I N 1.890 122.471 120.570 0.018 0.000 2.328 206 I HA 0.307 4.477 4.170 -0.001 0.000 0.287 206 I C -0.210 175.906 176.117 -0.001 0.000 1.012 206 I CA -0.092 61.222 61.300 0.023 0.000 1.195 206 I CB 0.884 38.897 38.000 0.021 0.000 1.350 206 I HN 0.103 nan 8.210 nan 0.000 0.464 207 N N 6.648 125.360 118.700 0.019 0.000 2.422 207 N HA 0.302 5.042 4.740 -0.001 0.000 0.266 207 N C 0.508 176.027 175.510 0.016 0.000 1.007 207 N CA -0.232 52.824 53.050 0.011 0.000 0.941 207 N CB 1.687 40.186 38.487 0.021 0.000 1.115 207 N HN 0.578 nan 8.380 nan 0.000 0.492 208 L N 2.872 124.096 121.223 0.002 0.000 2.313 208 L HA 0.003 4.343 4.340 -0.001 0.000 0.214 208 L C 2.046 178.928 176.870 0.019 0.000 1.119 208 L CA 0.690 55.538 54.840 0.013 0.000 0.809 208 L CB -0.031 42.028 42.059 -0.000 0.000 0.933 208 L HN 0.410 nan 8.230 nan 0.000 0.449 209 K N 0.401 120.809 120.400 0.014 0.000 2.067 209 K HA 0.033 4.353 4.320 -0.001 0.000 0.203 209 K C 0.345 176.957 176.600 0.020 0.000 1.048 209 K CA 0.858 57.154 56.287 0.015 0.000 0.954 209 K CB -0.169 32.337 32.500 0.010 0.000 0.737 209 K HN 0.453 nan 8.250 nan 0.000 0.444 210 D N -1.572 118.842 120.400 0.023 0.000 2.654 210 D HA 0.409 5.048 4.640 -0.001 0.000 0.255 210 D C -0.771 175.551 176.300 0.037 0.000 1.101 210 D CA -0.874 53.143 54.000 0.028 0.000 1.116 210 D CB 0.855 41.671 40.800 0.026 0.000 1.348 210 D HN -0.038 nan 8.370 nan 0.000 0.609 211 A N -0.282 122.564 122.820 0.043 0.000 3.181 211 A HA 0.375 4.695 4.320 -0.001 0.000 0.293 211 A C 0.695 178.324 177.584 0.075 0.000 1.346 211 A CA -0.253 51.818 52.037 0.056 0.000 1.018 211 A CB -1.087 17.944 19.000 0.051 0.000 1.093 211 A HN 0.557 nan 8.150 nan 0.000 0.629 212 T N -2.554 112.042 114.554 0.070 0.000 3.223 212 T HA 0.217 4.566 4.350 -0.001 0.000 0.259 212 T C 0.436 175.194 174.700 0.097 0.000 1.015 212 T CA -0.079 62.070 62.100 0.082 0.000 0.908 212 T CB -0.356 68.544 68.868 0.054 0.000 1.054 212 T HN 0.186 nan 8.240 nan 0.000 0.567 213 S N 2.191 117.953 115.700 0.102 0.000 2.549 213 S HA 0.253 4.722 4.470 -0.001 0.000 0.283 213 S C 1.001 175.698 174.600 0.162 0.000 1.320 213 S CA -0.659 57.605 58.200 0.105 0.000 1.058 213 S CB 0.872 64.124 63.200 0.086 0.000 0.882 213 S HN 0.265 nan 8.310 nan 0.000 0.498 214 K N 1.324 121.815 120.400 0.152 0.000 2.355 214 K HA 0.259 4.579 4.320 -0.001 0.000 0.198 214 K C -0.262 176.437 176.600 0.166 0.000 1.039 214 K CA 0.223 56.639 56.287 0.215 0.000 1.075 214 K CB 0.637 33.227 32.500 0.150 0.000 0.870 214 K HN 0.363 nan 8.250 nan 0.000 0.540 215 V N 1.243 121.219 119.914 0.104 0.000 2.540 215 V HA 0.539 4.659 4.120 -0.001 0.000 0.302 215 V C -0.916 175.205 176.094 0.045 0.000 1.035 215 V CA -1.127 61.221 62.300 0.079 0.000 0.873 215 V CB 1.731 33.623 31.823 0.115 0.000 0.992 215 V HN 0.128 nan 8.190 nan 0.000 0.428 216 A N 6.145 128.963 122.820 -0.003 0.000 2.303 216 A HA 0.873 5.192 4.320 -0.001 0.000 0.320 216 A C -0.964 176.663 177.584 0.072 0.000 1.192 216 A CA -0.464 51.585 52.037 0.019 0.000 0.821 216 A CB 0.695 19.678 19.000 -0.028 0.000 1.188 216 A HN 0.777 nan 8.150 nan 0.000 0.492 217 L N 2.712 123.998 121.223 0.106 0.000 2.317 217 L HA 0.683 5.022 4.340 -0.001 0.000 0.281 217 L C -0.742 176.189 176.870 0.101 0.000 1.024 217 L CA -0.789 54.143 54.840 0.153 0.000 0.810 217 L CB 1.918 44.133 42.059 0.261 0.000 1.240 217 L HN 0.441 nan 8.230 nan 0.000 0.427 218 V N 2.611 122.531 119.914 0.009 0.000 2.709 218 V HA 0.497 4.616 4.120 -0.001 0.000 0.308 218 V C -1.360 174.630 176.094 -0.174 0.000 1.062 218 V CA -0.771 61.516 62.300 -0.021 0.000 0.901 218 V CB 2.036 33.824 31.823 -0.058 0.000 1.003 218 V HN 0.454 nan 8.190 nan 0.000 0.425 219 Y N 1.092 121.406 120.300 0.024 0.000 2.433 219 Y HA 0.706 5.255 4.550 -0.001 0.000 0.337 219 Y C 0.461 176.368 175.900 0.012 0.000 1.026 219 Y CA -0.567 57.552 58.100 0.032 0.000 1.037 219 Y CB 2.860 41.332 38.460 0.021 0.000 1.245 219 Y HN 0.739 nan 8.280 nan 0.000 0.443 220 G N 3.585 112.477 108.800 0.154 0.000 3.948 220 G HA2 0.262 4.222 3.960 -0.001 0.000 0.300 220 G HA3 0.262 4.222 3.960 -0.001 0.000 0.300 220 G C -0.907 174.049 174.900 0.094 0.000 1.318 220 G CA -0.525 44.633 45.100 0.097 0.000 0.768 220 G HN 0.296 nan 8.290 nan 0.000 0.504 221 Q N 0.658 120.534 119.800 0.126 0.000 2.308 221 Q HA 0.219 4.559 4.340 -0.001 0.000 0.207 221 Q C 2.055 178.092 176.000 0.061 0.000 1.035 221 Q CA -0.673 55.197 55.803 0.112 0.000 1.008 221 Q CB 0.611 29.435 28.738 0.143 0.000 1.168 221 Q HN 0.677 nan 8.270 nan 0.000 0.565 222 M N -0.282 119.348 119.600 0.050 0.000 2.706 222 M HA -0.094 4.385 4.480 -0.001 0.000 0.251 222 M C 0.775 177.086 176.300 0.019 0.000 1.070 222 M CA 1.219 56.535 55.300 0.026 0.000 1.073 222 M CB -0.437 32.174 32.600 0.019 0.000 1.449 222 M HN 0.411 nan 8.290 nan 0.000 0.531 223 N N 0.635 119.349 118.700 0.023 0.000 2.290 223 N HA -0.035 4.705 4.740 -0.001 0.000 0.179 223 N C 0.109 175.626 175.510 0.012 0.000 1.016 223 N CA 0.561 53.620 53.050 0.015 0.000 0.871 223 N CB -0.439 38.055 38.487 0.013 0.000 0.987 223 N HN 0.471 nan 8.380 nan 0.000 0.431 224 E N 2.627 122.837 120.200 0.017 0.000 2.398 224 E HA 0.180 4.530 4.350 -0.001 0.000 0.263 224 E C -2.008 174.595 176.600 0.005 0.000 1.046 224 E CA -1.554 54.854 56.400 0.013 0.000 0.908 224 E CB 0.199 29.912 29.700 0.021 0.000 0.963 224 E HN 0.308 nan 8.360 nan 0.000 0.431 225 P HA -0.022 nan 4.420 nan 0.000 0.269 225 P C -1.931 175.362 177.300 -0.012 0.000 1.217 225 P CA -0.988 62.109 63.100 -0.005 0.000 0.783 225 P CB -0.089 31.609 31.700 -0.003 0.000 0.898 226 P HA -0.244 nan 4.420 nan 0.000 0.215 226 P C 1.706 178.984 177.300 -0.035 0.000 1.163 226 P CA 2.233 65.309 63.100 -0.040 0.000 0.894 226 P CB -0.865 30.805 31.700 -0.050 0.000 0.791 227 G N 0.353 109.139 108.800 -0.023 0.000 2.597 227 G HA2 -0.349 3.610 3.960 -0.001 0.000 0.222 227 G HA3 -0.349 3.610 3.960 -0.001 0.000 0.222 227 G C 1.800 176.701 174.900 0.001 0.000 1.135 227 G CA 1.785 46.879 45.100 -0.010 0.000 0.759 227 G HN 0.449 nan 8.290 nan 0.000 0.595 228 A N 0.564 123.387 122.820 0.004 0.000 1.855 228 A HA 0.052 4.371 4.320 -0.001 0.000 0.215 228 A C 2.415 180.007 177.584 0.013 0.000 1.191 228 A CA 1.515 53.560 52.037 0.013 0.000 0.613 228 A CB -0.386 18.624 19.000 0.015 0.000 0.829 228 A HN 0.350 nan 8.150 nan 0.000 0.442 229 R N -0.357 120.145 120.500 0.003 0.000 2.293 229 R HA -0.018 4.321 4.340 -0.001 0.000 0.219 229 R C 1.960 178.261 176.300 0.000 0.000 1.091 229 R CA 0.792 56.894 56.100 0.002 0.000 1.004 229 R CB -0.315 29.978 30.300 -0.012 0.000 0.865 229 R HN 0.521 nan 8.270 nan 0.000 0.469 230 A N 0.325 123.135 122.820 -0.016 0.000 2.132 230 A HA 0.042 4.361 4.320 -0.001 0.000 0.213 230 A C 1.780 179.416 177.584 0.086 0.000 1.154 230 A CA 0.522 52.537 52.037 -0.037 0.000 0.753 230 A CB 0.268 19.206 19.000 -0.104 0.000 0.826 230 A HN 0.036 nan 8.150 nan 0.000 0.469 231 R N -1.718 118.823 120.500 0.068 0.000 2.369 231 R HA 0.136 4.475 4.340 -0.001 0.000 0.210 231 R C 1.635 177.946 176.300 0.019 0.000 0.881 231 R CA 0.801 56.937 56.100 0.060 0.000 1.031 231 R CB -0.771 29.550 30.300 0.035 0.000 1.184 231 R HN 0.316 nan 8.270 nan 0.000 0.581 232 V N 1.717 121.642 119.914 0.018 0.000 2.688 232 V HA -0.168 3.952 4.120 -0.001 0.000 0.256 232 V C 2.047 178.117 176.094 -0.040 0.000 1.084 232 V CA 1.996 64.291 62.300 -0.009 0.000 1.103 232 V CB -0.331 31.494 31.823 0.002 0.000 0.688 232 V HN 0.289 nan 8.190 nan 0.000 0.480 233 A N -0.391 122.414 122.820 -0.026 0.000 1.930 233 A HA -0.064 4.255 4.320 -0.001 0.000 0.217 233 A C 2.088 179.602 177.584 -0.117 0.000 1.175 233 A CA 1.765 53.751 52.037 -0.085 0.000 0.627 233 A CB -0.408 18.541 19.000 -0.086 0.000 0.815 233 A HN 0.574 nan 8.150 nan 0.000 0.443 234 L N -0.754 120.412 121.223 -0.096 0.000 2.109 234 L HA -0.116 4.224 4.340 -0.001 0.000 0.207 234 L C 2.671 179.477 176.870 -0.108 0.000 1.086 234 L CA 1.565 56.330 54.840 -0.125 0.000 0.760 234 L CB -0.961 40.998 42.059 -0.168 0.000 0.910 234 L HN 0.316 nan 8.230 nan 0.000 0.437 235 T N -0.161 114.340 114.554 -0.087 0.000 2.788 235 T HA -0.133 4.216 4.350 -0.001 0.000 0.268 235 T C 1.877 176.540 174.700 -0.061 0.000 1.044 235 T CA 1.391 63.451 62.100 -0.066 0.000 1.139 235 T CB -0.523 68.317 68.868 -0.045 0.000 0.867 235 T HN 0.557 nan 8.240 nan 0.000 0.454 236 G N 1.955 110.707 108.800 -0.080 0.000 2.402 236 G HA2 -0.059 3.901 3.960 -0.001 0.000 0.216 236 G HA3 -0.059 3.901 3.960 -0.001 0.000 0.216 236 G C 1.561 176.416 174.900 -0.075 0.000 1.162 236 G CA 1.020 46.067 45.100 -0.089 0.000 0.777 236 G HN 0.578 nan 8.290 nan 0.000 0.539 237 L N -0.840 120.329 121.223 -0.089 0.000 2.179 237 L HA 0.230 4.570 4.340 -0.001 0.000 0.208 237 L C 2.389 179.242 176.870 -0.028 0.000 1.096 237 L CA 2.253 57.046 54.840 -0.078 0.000 0.779 237 L CB -1.144 40.848 42.059 -0.112 0.000 0.922 237 L HN -0.031 nan 8.230 nan 0.000 0.443 238 T N -0.184 114.353 114.554 -0.027 0.000 2.867 238 T HA -0.067 4.282 4.350 -0.001 0.000 0.268 238 T C 2.028 176.759 174.700 0.052 0.000 1.057 238 T CA 1.468 63.570 62.100 0.002 0.000 1.136 238 T CB -0.434 68.421 68.868 -0.022 0.000 0.874 238 T HN 0.221 nan 8.240 nan 0.000 0.466 239 V N 1.964 121.912 119.914 0.057 0.000 2.255 239 V HA -0.202 3.917 4.120 -0.001 0.000 0.247 239 V C 2.970 179.263 176.094 0.331 0.000 1.051 239 V CA 1.831 64.225 62.300 0.158 0.000 1.018 239 V CB -1.315 30.578 31.823 0.117 0.000 0.641 239 V HN 0.539 nan 8.190 nan 0.000 0.445 240 A N -0.660 122.270 122.820 0.184 0.000 1.940 240 A HA -0.282 4.037 4.320 -0.001 0.000 0.219 240 A C 2.175 179.879 177.584 0.200 0.000 1.176 240 A CA 2.058 54.200 52.037 0.176 0.000 0.631 240 A CB -0.565 18.446 19.000 0.018 0.000 0.814 240 A HN 0.640 nan 8.150 nan 0.000 0.446 241 E N -1.780 118.494 120.200 0.123 0.000 2.085 241 E HA -0.241 4.109 4.350 -0.001 0.000 0.194 241 E C 1.842 178.496 176.600 0.091 0.000 0.994 241 E CA 1.607 58.054 56.400 0.079 0.000 0.801 241 E CB -0.304 29.422 29.700 0.043 0.000 0.743 241 E HN 0.823 nan 8.360 nan 0.000 0.453 242 Y N 0.279 120.571 120.300 -0.014 0.000 2.114 242 Y HA -0.250 4.300 4.550 -0.001 0.000 0.284 242 Y C 1.887 177.714 175.900 -0.120 0.000 1.143 242 Y CA 1.659 59.683 58.100 -0.126 0.000 1.135 242 Y CB -0.434 37.858 38.460 -0.279 0.000 0.980 242 Y HN -0.054 nan 8.280 nan 0.000 0.499 243 F N 0.445 120.498 119.950 0.173 0.000 2.202 243 F HA -0.208 4.318 4.527 -0.001 0.000 0.301 243 F C 2.755 178.574 175.800 0.031 0.000 1.082 243 F CA 1.983 60.056 58.000 0.122 0.000 1.313 243 F CB -0.537 38.562 39.000 0.165 0.000 1.024 243 F HN 0.022 nan 8.300 nan 0.000 0.495 244 R N 0.382 120.983 120.500 0.169 0.000 2.055 244 R HA -0.132 4.208 4.340 -0.001 0.000 0.228 244 R C 1.629 177.917 176.300 -0.019 0.000 1.143 244 R CA 2.125 58.267 56.100 0.070 0.000 0.945 244 R CB -0.389 29.937 30.300 0.044 0.000 0.841 244 R HN 0.110 nan 8.270 nan 0.000 0.429 245 D N -0.117 120.236 120.400 -0.079 0.000 2.162 245 D HA -0.053 4.586 4.640 -0.001 0.000 0.205 245 D C 1.514 177.693 176.300 -0.203 0.000 0.964 245 D CA 0.850 54.781 54.000 -0.115 0.000 0.847 245 D CB 0.130 40.875 40.800 -0.092 0.000 0.988 245 D HN 0.161 nan 8.370 nan 0.000 0.480 246 Q N 0.037 119.593 119.800 -0.406 0.000 2.280 246 Q HA 0.174 4.513 4.340 -0.001 0.000 0.201 246 Q C 0.343 176.066 176.000 -0.463 0.000 0.890 246 Q CA 0.294 55.767 55.803 -0.549 0.000 0.947 246 Q CB 0.881 29.022 28.738 -0.994 0.000 1.081 246 Q HN 0.427 nan 8.270 nan 0.000 0.502 247 E N -1.500 118.530 120.200 -0.284 0.000 2.753 247 E HA 0.194 4.543 4.350 -0.001 0.000 0.218 247 E C 0.673 177.278 176.600 0.007 0.000 0.956 247 E CA 0.254 56.603 56.400 -0.086 0.000 1.244 247 E CB 0.976 30.691 29.700 0.025 0.000 1.114 247 E HN 0.281 nan 8.360 nan 0.000 0.530 248 G N 2.016 110.802 108.800 -0.023 0.000 2.494 248 G HA2 -0.441 3.519 3.960 -0.001 0.000 0.252 248 G HA3 -0.441 3.519 3.960 -0.001 0.000 0.252 248 G C 0.565 175.485 174.900 0.032 0.000 1.025 248 G CA 1.349 46.448 45.100 -0.002 0.000 0.638 248 G HN 0.370 nan 8.290 nan 0.000 0.544 249 Q N 0.905 120.750 119.800 0.075 0.000 2.535 249 Q HA 0.286 4.626 4.340 -0.001 0.000 0.228 249 Q C -0.326 175.729 176.000 0.091 0.000 1.062 249 Q CA -0.298 55.548 55.803 0.073 0.000 0.967 249 Q CB 0.215 29.001 28.738 0.079 0.000 1.273 249 Q HN 0.392 nan 8.270 nan 0.000 0.554 250 D N 0.947 121.393 120.400 0.077 0.000 2.425 250 D HA 0.123 4.763 4.640 -0.001 0.000 0.247 250 D C -0.900 175.507 176.300 0.179 0.000 1.147 250 D CA 0.268 54.342 54.000 0.123 0.000 0.879 250 D CB 0.819 41.740 40.800 0.203 0.000 1.179 250 D HN 0.134 nan 8.370 nan 0.000 0.456 251 V N 3.162 123.125 119.914 0.081 0.000 2.628 251 V HA 0.354 4.473 4.120 -0.001 0.000 0.306 251 V C 0.273 176.270 176.094 -0.162 0.000 1.045 251 V CA -0.859 61.454 62.300 0.021 0.000 0.905 251 V CB 2.049 33.889 31.823 0.029 0.000 0.997 251 V HN 0.333 nan 8.190 nan 0.000 0.436 252 L N 5.014 126.077 121.223 -0.266 0.000 2.387 252 L HA 0.434 4.773 4.340 -0.001 0.000 0.259 252 L C -0.651 175.817 176.870 -0.671 0.000 1.050 252 L CA -0.487 54.032 54.840 -0.534 0.000 0.922 252 L CB 1.281 43.002 42.059 -0.564 0.000 1.280 252 L HN 0.476 nan 8.230 nan 0.000 0.449 253 L N 3.179 124.049 121.223 -0.588 0.000 2.319 253 L HA 0.427 4.766 4.340 -0.001 0.000 0.280 253 L C -1.020 175.439 176.870 -0.685 0.000 1.099 253 L CA 0.647 55.198 54.840 -0.482 0.000 0.828 253 L CB 0.302 42.182 42.059 -0.299 0.000 1.150 253 L HN 0.129 nan 8.230 nan 0.000 0.442 254 F N 6.374 126.210 119.950 -0.190 0.000 2.445 254 F HA 0.533 5.059 4.527 -0.001 0.000 0.348 254 F C -0.133 175.326 175.800 -0.567 0.000 1.125 254 F CA -0.552 57.284 58.000 -0.273 0.000 0.983 254 F CB 1.018 39.973 39.000 -0.075 0.000 1.198 254 F HN 0.244 nan 8.300 nan 0.000 0.436 255 I N 2.824 123.218 120.570 -0.293 0.000 2.404 255 I HA 0.474 4.644 4.170 -0.001 0.000 0.293 255 I C -1.083 174.855 176.117 -0.299 0.000 0.992 255 I CA -0.546 60.528 61.300 -0.377 0.000 1.149 255 I CB 1.952 39.793 38.000 -0.264 0.000 1.315 255 I HN 0.394 nan 8.210 nan 0.000 0.446 256 D N 5.347 125.554 120.400 -0.322 0.000 2.613 256 D HA 0.201 4.841 4.640 -0.001 0.000 0.230 256 D C -1.567 174.706 176.300 -0.046 0.000 1.365 256 D CA -0.370 53.562 54.000 -0.113 0.000 0.976 256 D CB 1.237 42.032 40.800 -0.009 0.000 1.415 256 D HN 0.452 nan 8.370 nan 0.000 0.589 257 N N 3.896 122.605 118.700 0.015 0.000 2.314 257 N HA 0.239 4.978 4.740 -0.001 0.000 0.304 257 N C 0.350 175.895 175.510 0.058 0.000 1.073 257 N CA -0.506 52.576 53.050 0.053 0.000 0.822 257 N CB 1.730 40.305 38.487 0.147 0.000 1.280 257 N HN 0.397 nan 8.380 nan 0.000 0.489 258 I N 3.604 124.194 120.570 0.033 0.000 3.111 258 I HA 0.035 4.204 4.170 -0.001 0.000 0.272 258 I C 1.487 177.690 176.117 0.143 0.000 1.268 258 I CA 0.353 61.664 61.300 0.018 0.000 1.467 258 I CB -0.576 37.366 38.000 -0.096 0.000 1.087 258 I HN 0.595 nan 8.210 nan 0.000 0.467 259 F N 0.981 120.982 119.950 0.084 0.000 2.293 259 F HA -0.102 4.425 4.527 -0.001 0.000 0.300 259 F C 2.161 178.065 175.800 0.173 0.000 1.086 259 F CA 1.068 59.167 58.000 0.165 0.000 1.375 259 F CB -0.264 38.877 39.000 0.235 0.000 1.045 259 F HN -0.080 nan 8.300 nan 0.000 0.516 260 R N 0.248 120.742 120.500 -0.010 0.000 2.152 260 R HA -0.192 4.147 4.340 -0.001 0.000 0.232 260 R C 2.139 178.353 176.300 -0.142 0.000 1.117 260 R CA 1.371 57.388 56.100 -0.139 0.000 0.981 260 R CB -1.775 28.535 30.300 0.016 0.000 0.870 260 R HN 0.513 nan 8.270 nan 0.000 0.451 261 F N 1.867 121.714 119.950 -0.173 0.000 2.095 261 F HA -0.226 4.301 4.527 -0.001 0.000 0.298 261 F C 1.830 177.541 175.800 -0.149 0.000 1.104 261 F CA 1.903 59.823 58.000 -0.133 0.000 1.232 261 F CB -0.344 38.596 39.000 -0.100 0.000 0.987 261 F HN -0.091 nan 8.300 nan 0.000 0.475 262 T N -0.073 114.313 114.554 -0.280 0.000 2.857 262 T HA -0.175 4.175 4.350 -0.001 0.000 0.266 262 T C 1.874 176.383 174.700 -0.319 0.000 1.048 262 T CA 1.307 63.221 62.100 -0.311 0.000 1.139 262 T CB -0.330 68.523 68.868 -0.024 0.000 0.874 262 T HN 0.433 nan 8.240 nan 0.000 0.455 263 Q N 0.651 120.143 119.800 -0.514 0.000 2.046 263 Q HA -0.024 4.315 4.340 -0.001 0.000 0.200 263 Q C 2.515 178.352 176.000 -0.271 0.000 0.975 263 Q CA 1.318 56.859 55.803 -0.436 0.000 0.836 263 Q CB -0.243 28.133 28.738 -0.604 0.000 0.896 263 Q HN 0.537 nan 8.270 nan 0.000 0.428 264 A N 0.128 122.791 122.820 -0.262 0.000 2.015 264 A HA -0.060 4.260 4.320 -0.001 0.000 0.219 264 A C 2.132 179.597 177.584 -0.199 0.000 1.163 264 A CA 1.363 53.287 52.037 -0.188 0.000 0.646 264 A CB -0.863 18.047 19.000 -0.151 0.000 0.806 264 A HN 0.574 nan 8.150 nan 0.000 0.448 265 G N 0.023 108.653 108.800 -0.283 0.000 2.422 265 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.218 265 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.218 265 G C 1.955 176.764 174.900 -0.151 0.000 1.140 265 G CA 1.637 46.586 45.100 -0.251 0.000 0.775 265 G HN 0.806 nan 8.290 nan 0.000 0.545 266 S N 0.685 116.297 115.700 -0.146 0.000 2.377 266 S HA -0.029 4.440 4.470 -0.001 0.000 0.223 266 S C 1.923 176.456 174.600 -0.110 0.000 1.030 266 S CA 1.327 59.454 58.200 -0.122 0.000 0.970 266 S CB -0.393 62.687 63.200 -0.201 0.000 0.830 266 S HN 0.514 nan 8.310 nan 0.000 0.473 267 E N 1.003 121.134 120.200 -0.116 0.000 2.273 267 E HA -0.118 4.231 4.350 -0.001 0.000 0.198 267 E C 1.969 178.531 176.600 -0.064 0.000 1.002 267 E CA 1.599 57.948 56.400 -0.085 0.000 0.828 267 E CB -0.383 29.269 29.700 -0.080 0.000 0.747 267 E HN 0.771 nan 8.360 nan 0.000 0.491 268 V N -3.597 116.277 119.914 -0.066 0.000 3.635 268 V HA 0.135 4.255 4.120 -0.001 0.000 0.266 268 V C 2.067 178.138 176.094 -0.039 0.000 1.316 268 V CA 0.563 62.835 62.300 -0.047 0.000 1.060 268 V CB 0.714 32.510 31.823 -0.044 0.000 0.820 268 V HN 0.047 nan 8.190 nan 0.000 0.447 269 S N 1.795 117.468 115.700 -0.046 0.000 2.365 269 S HA -0.237 4.233 4.470 -0.001 0.000 0.225 269 S C 2.174 176.763 174.600 -0.017 0.000 1.039 269 S CA 2.482 60.664 58.200 -0.030 0.000 1.033 269 S CB -0.504 62.680 63.200 -0.026 0.000 0.887 269 S HN 1.034 nan 8.310 nan 0.000 0.447 270 A N 1.043 123.851 122.820 -0.020 0.000 1.902 270 A HA 0.054 4.373 4.320 -0.001 0.000 0.217 270 A C 2.187 179.765 177.584 -0.009 0.000 1.181 270 A CA 1.456 53.486 52.037 -0.013 0.000 0.623 270 A CB -0.715 18.276 19.000 -0.016 0.000 0.818 270 A HN 0.594 nan 8.150 nan 0.000 0.443 271 L N -0.854 120.362 121.223 -0.013 0.000 2.376 271 L HA -0.035 4.304 4.340 -0.001 0.000 0.219 271 L C 2.175 179.042 176.870 -0.004 0.000 1.133 271 L CA 0.346 55.180 54.840 -0.009 0.000 0.816 271 L CB -0.316 41.736 42.059 -0.012 0.000 0.933 271 L HN 0.345 nan 8.230 nan 0.000 0.449 272 L N -0.353 120.867 121.223 -0.005 0.000 2.291 272 L HA 0.032 4.371 4.340 -0.001 0.000 0.214 272 L C 1.273 178.146 176.870 0.005 0.000 1.120 272 L CA 0.887 55.727 54.840 0.001 0.000 0.799 272 L CB -0.246 41.812 42.059 -0.002 0.000 0.925 272 L HN 0.456 nan 8.230 nan 0.000 0.446 273 G N 0.019 108.821 108.800 0.003 0.000 2.181 273 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.152 273 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.152 273 G C -0.205 174.699 174.900 0.007 0.000 1.026 273 G CA -0.711 44.392 45.100 0.005 0.000 0.699 273 G HN 0.132 nan 8.290 nan 0.000 0.497 274 R N 0.078 120.581 120.500 0.006 0.000 2.428 274 R HA 0.623 4.963 4.340 -0.001 0.000 0.294 274 R C 1.128 177.435 176.300 0.012 0.000 1.000 274 R CA -0.725 55.381 56.100 0.010 0.000 0.960 274 R CB 0.761 31.067 30.300 0.011 0.000 1.076 274 R HN 0.239 nan 8.270 nan 0.000 0.475 275 I N 5.335 125.914 120.570 0.015 0.000 2.517 275 I HA 0.099 4.269 4.170 -0.001 0.000 0.285 275 I C -1.693 174.439 176.117 0.025 0.000 1.106 275 I CA -1.754 59.556 61.300 0.018 0.000 1.402 275 I CB 0.351 38.362 38.000 0.019 0.000 1.399 275 I HN 0.349 nan 8.210 nan 0.000 0.535 276 P HA 0.049 nan 4.420 nan 0.000 0.268 276 P C 0.211 177.542 177.300 0.053 0.000 1.204 276 P CA 0.057 63.179 63.100 0.037 0.000 0.768 276 P CB 1.173 32.890 31.700 0.028 0.000 0.842 277 S N 2.446 118.192 115.700 0.077 0.000 2.329 277 S HA 0.405 4.875 4.470 -0.001 0.000 0.234 277 S C 0.424 175.083 174.600 0.099 0.000 1.288 277 S CA -0.016 58.235 58.200 0.085 0.000 0.988 277 S CB -0.267 62.993 63.200 0.100 0.000 0.924 277 S HN 0.621 nan 8.310 nan 0.000 0.479 278 A N -0.192 122.693 122.820 0.108 0.000 2.371 278 A HA 0.522 4.842 4.320 -0.001 0.000 0.257 278 A C 0.731 178.438 177.584 0.205 0.000 1.089 278 A CA 0.079 52.185 52.037 0.117 0.000 0.794 278 A CB -0.133 18.918 19.000 0.084 0.000 1.029 278 A HN 1.549 nan 8.150 nan 0.000 0.488 279 V N 1.154 121.177 119.914 0.181 0.000 4.349 279 V HA -0.278 3.842 4.120 -0.001 0.000 0.247 279 V C 1.516 177.715 176.094 0.175 0.000 0.442 279 V CA 1.585 64.024 62.300 0.231 0.000 0.865 279 V CB -2.422 29.619 31.823 0.363 0.000 0.887 279 V HN 2.845 nan 8.190 nan 0.000 1.302 280 G N -2.000 106.860 108.800 0.101 0.000 2.249 280 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.273 280 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.273 280 G C -0.260 174.602 174.900 -0.064 0.000 1.036 280 G CA 0.771 45.874 45.100 0.005 0.000 0.824 280 G HN 0.889 nan 8.290 nan 0.000 0.504 281 Y N 0.081 120.403 120.300 0.037 0.000 2.458 281 Y HA 0.507 5.057 4.550 -0.001 0.000 0.322 281 Y C 1.175 177.082 175.900 0.012 0.000 1.259 281 Y CA -0.540 57.578 58.100 0.029 0.000 1.302 281 Y CB 0.691 39.182 38.460 0.051 0.000 1.314 281 Y HN 0.405 nan 8.280 nan 0.000 0.509 282 Q N 1.697 121.618 119.800 0.203 0.000 2.392 282 Q HA 0.136 4.475 4.340 -0.001 0.000 0.262 282 Q C -2.454 173.606 176.000 0.099 0.000 1.003 282 Q CA -1.617 54.245 55.803 0.099 0.000 0.888 282 Q CB 1.036 29.803 28.738 0.049 0.000 1.260 282 Q HN 0.375 nan 8.270 nan 0.000 0.435 283 P HA -0.060 nan 4.420 nan 0.000 0.222 283 P C 1.005 178.334 177.300 0.049 0.000 1.153 283 P CA 1.407 64.540 63.100 0.055 0.000 0.798 283 P CB 0.032 31.756 31.700 0.040 0.000 0.796 284 T N -3.554 111.027 114.554 0.045 0.000 3.194 284 T HA 0.082 4.431 4.350 -0.001 0.000 0.251 284 T C 1.583 176.320 174.700 0.061 0.000 1.132 284 T CA -0.112 62.015 62.100 0.045 0.000 1.028 284 T CB -1.132 67.756 68.868 0.034 0.000 0.976 284 T HN -0.027 nan 8.240 nan 0.000 0.535 285 L N 0.580 121.842 121.223 0.065 0.000 2.051 285 L HA -0.179 4.161 4.340 -0.001 0.000 0.214 285 L C 2.815 179.746 176.870 0.100 0.000 1.076 285 L CA 1.900 56.785 54.840 0.075 0.000 0.758 285 L CB -0.639 41.449 42.059 0.048 0.000 0.890 285 L HN 0.461 nan 8.230 nan 0.000 0.433 286 A N -0.859 122.015 122.820 0.089 0.000 1.854 286 A HA -0.195 4.125 4.320 -0.001 0.000 0.214 286 A C 2.313 179.970 177.584 0.121 0.000 1.192 286 A CA 2.032 54.133 52.037 0.107 0.000 0.611 286 A CB -1.125 17.924 19.000 0.081 0.000 0.832 286 A HN 0.566 nan 8.150 nan 0.000 0.442 287 T N -2.109 112.503 114.554 0.096 0.000 2.951 287 T HA -0.097 4.253 4.350 -0.001 0.000 0.268 287 T C 1.227 175.994 174.700 0.112 0.000 1.073 287 T CA 1.433 63.587 62.100 0.091 0.000 1.134 287 T CB -0.419 68.488 68.868 0.065 0.000 0.884 287 T HN 0.317 nan 8.240 nan 0.000 0.479 288 D N 0.899 121.382 120.400 0.138 0.000 2.117 288 D HA 0.010 4.650 4.640 -0.001 0.000 0.197 288 D C 1.913 178.400 176.300 0.313 0.000 0.987 288 D CA 0.920 55.054 54.000 0.223 0.000 0.829 288 D CB -0.338 40.568 40.800 0.176 0.000 0.961 288 D HN 0.371 nan 8.370 nan 0.000 0.460 289 M N -0.030 119.712 119.600 0.236 0.000 2.288 289 M HA 0.015 4.494 4.480 -0.001 0.000 0.266 289 M C 1.956 178.200 176.300 -0.093 0.000 1.072 289 M CA 1.388 56.730 55.300 0.069 0.000 1.132 289 M CB 0.065 32.719 32.600 0.089 0.000 1.386 289 M HN 0.030 nan 8.290 nan 0.000 0.432 290 G N -0.490 108.342 108.800 0.053 0.000 2.408 290 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.217 290 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.217 290 G C 1.362 176.283 174.900 0.035 0.000 1.150 290 G CA 1.405 46.563 45.100 0.096 0.000 0.776 290 G HN 0.574 nan 8.290 nan 0.000 0.542 291 T N -1.878 112.696 114.554 0.033 0.000 3.085 291 T HA 0.169 4.518 4.350 -0.001 0.000 0.263 291 T C 2.099 176.784 174.700 -0.025 0.000 1.127 291 T CA 0.926 63.042 62.100 0.026 0.000 1.103 291 T CB 0.131 69.035 68.868 0.060 0.000 0.921 291 T HN 0.220 nan 8.240 nan 0.000 0.510 292 M N -0.049 119.486 119.600 -0.107 0.000 2.557 292 M HA 0.111 4.591 4.480 -0.001 0.000 0.262 292 M C 2.192 178.334 176.300 -0.265 0.000 1.168 292 M CA 0.768 55.928 55.300 -0.233 0.000 1.194 292 M CB 0.064 32.364 32.600 -0.500 0.000 1.311 292 M HN 0.035 nan 8.290 nan 0.000 0.489 293 Q N 0.643 120.247 119.800 -0.326 0.000 2.167 293 Q HA -0.120 4.220 4.340 -0.001 0.000 0.202 293 Q C 1.644 177.554 176.000 -0.151 0.000 0.970 293 Q CA 1.173 56.777 55.803 -0.332 0.000 0.855 293 Q CB -0.241 28.096 28.738 -0.670 0.000 0.911 293 Q HN 0.560 nan 8.270 nan 0.000 0.438 294 E N 0.346 120.502 120.200 -0.073 0.000 2.338 294 E HA -0.105 4.244 4.350 -0.001 0.000 0.197 294 E C 1.728 178.314 176.600 -0.022 0.000 1.007 294 E CA 0.388 56.790 56.400 0.003 0.000 0.849 294 E CB 0.024 29.752 29.700 0.047 0.000 0.774 294 E HN 0.300 nan 8.360 nan 0.000 0.506 295 R N 0.141 120.608 120.500 -0.055 0.000 2.240 295 R HA 0.131 4.471 4.340 -0.001 0.000 0.203 295 R C 0.890 177.149 176.300 -0.068 0.000 1.011 295 R CA 0.264 56.332 56.100 -0.053 0.000 1.007 295 R CB 0.187 30.451 30.300 -0.059 0.000 0.911 295 R HN 0.050 nan 8.270 nan 0.000 0.468 296 I N 1.397 121.911 120.570 -0.093 0.000 2.257 296 I HA 0.092 4.261 4.170 -0.001 0.000 0.290 296 I C -0.113 175.956 176.117 -0.079 0.000 1.137 296 I CA 0.078 61.315 61.300 -0.104 0.000 1.255 296 I CB 0.935 38.846 38.000 -0.148 0.000 1.485 296 I HN -0.104 nan 8.210 nan 0.000 0.534 297 T N 2.470 116.988 114.554 -0.061 0.000 2.840 297 T HA 0.305 4.655 4.350 -0.001 0.000 0.317 297 T C -0.449 174.225 174.700 -0.044 0.000 1.401 297 T CA -0.340 61.732 62.100 -0.047 0.000 1.028 297 T CB 1.697 70.549 68.868 -0.027 0.000 1.317 297 T HN 0.232 nan 8.240 nan 0.000 0.495 298 T N 3.114 117.643 114.554 -0.042 0.000 2.832 298 T HA 0.577 4.926 4.350 -0.001 0.000 0.296 298 T C 0.435 175.113 174.700 -0.037 0.000 0.968 298 T CA -0.280 61.798 62.100 -0.037 0.000 1.107 298 T CB 0.765 69.612 68.868 -0.036 0.000 0.916 298 T HN 0.826 nan 8.240 nan 0.000 0.517 299 T N 0.149 114.682 114.554 -0.034 0.000 2.910 299 T HA 0.456 4.806 4.350 -0.001 0.000 0.287 299 T C 1.083 175.760 174.700 -0.040 0.000 1.050 299 T CA -1.055 61.021 62.100 -0.040 0.000 1.011 299 T CB 1.369 70.216 68.868 -0.035 0.000 1.195 299 T HN 0.402 nan 8.240 nan 0.000 0.540 300 K N -0.010 120.363 120.400 -0.046 0.000 2.360 300 K HA -0.026 4.293 4.320 -0.001 0.000 0.201 300 K C 2.046 178.627 176.600 -0.033 0.000 1.046 300 K CA 1.022 57.284 56.287 -0.042 0.000 0.940 300 K CB -0.038 32.433 32.500 -0.048 0.000 0.748 300 K HN 0.480 nan 8.250 nan 0.000 0.465 301 K N -0.256 120.125 120.400 -0.032 0.000 2.186 301 K HA 0.020 4.339 4.320 -0.001 0.000 0.202 301 K C 0.780 177.365 176.600 -0.025 0.000 1.052 301 K CA 0.641 56.910 56.287 -0.030 0.000 0.965 301 K CB 0.601 33.081 32.500 -0.034 0.000 0.746 301 K HN 0.181 nan 8.250 nan 0.000 0.457 302 G N -0.326 108.461 108.800 -0.021 0.000 2.547 302 G HA2 0.185 4.144 3.960 -0.001 0.000 0.291 302 G HA3 0.185 4.144 3.960 -0.001 0.000 0.291 302 G C -1.733 173.162 174.900 -0.008 0.000 1.471 302 G CA -0.584 44.511 45.100 -0.009 0.000 0.798 302 G HN -0.079 nan 8.290 nan 0.000 0.504 303 S N -0.665 115.037 115.700 0.003 0.000 2.489 303 S HA 0.777 5.247 4.470 -0.001 0.000 0.291 303 S C -0.363 174.230 174.600 -0.011 0.000 1.151 303 S CA -0.681 57.516 58.200 -0.006 0.000 1.082 303 S CB 0.509 63.710 63.200 0.001 0.000 1.019 303 S HN 0.478 nan 8.310 nan 0.000 0.492 304 I N 4.122 124.667 120.570 -0.041 0.000 2.476 304 I HA 0.194 4.363 4.170 -0.001 0.000 0.281 304 I C -0.347 175.699 176.117 -0.118 0.000 1.040 304 I CA -0.483 60.771 61.300 -0.077 0.000 1.094 304 I CB 2.026 39.980 38.000 -0.077 0.000 1.219 304 I HN 0.482 nan 8.210 nan 0.000 0.450 305 T N 4.191 118.649 114.554 -0.160 0.000 2.738 305 T HA 0.178 4.527 4.350 -0.001 0.000 0.294 305 T C 0.399 174.921 174.700 -0.298 0.000 0.914 305 T CA -0.326 61.654 62.100 -0.199 0.000 1.052 305 T CB 0.125 68.871 68.868 -0.203 0.000 0.897 305 T HN 0.650 nan 8.240 nan 0.000 0.522 306 S N 2.564 118.111 115.700 -0.255 0.000 2.462 306 S HA 0.651 5.120 4.470 -0.001 0.000 0.294 306 S C -0.364 174.064 174.600 -0.287 0.000 1.144 306 S CA -0.840 57.184 58.200 -0.292 0.000 1.088 306 S CB 1.215 64.282 63.200 -0.221 0.000 1.009 306 S HN 0.366 nan 8.310 nan 0.000 0.484 307 V N 3.842 123.578 119.914 -0.296 0.000 2.407 307 V HA 0.429 4.549 4.120 -0.001 0.000 0.291 307 V C -0.527 175.490 176.094 -0.129 0.000 1.018 307 V CA -0.531 61.664 62.300 -0.176 0.000 0.842 307 V CB 1.240 33.079 31.823 0.027 0.000 0.996 307 V HN 0.958 nan 8.190 nan 0.000 0.426 308 Q N 3.358 123.053 119.800 -0.176 0.000 2.341 308 Q HA 0.675 5.014 4.340 -0.001 0.000 0.268 308 Q C -0.215 175.675 176.000 -0.183 0.000 1.013 308 Q CA -0.567 55.126 55.803 -0.183 0.000 0.798 308 Q CB 2.491 31.097 28.738 -0.220 0.000 1.253 308 Q HN 0.857 nan 8.270 nan 0.000 0.457 309 A N 4.259 127.009 122.820 -0.117 0.000 2.396 309 A HA 0.418 4.738 4.320 -0.001 0.000 0.279 309 A C -0.239 177.287 177.584 -0.096 0.000 1.165 309 A CA -0.167 51.820 52.037 -0.083 0.000 0.824 309 A CB -0.230 18.771 19.000 0.002 0.000 1.100 309 A HN 0.728 nan 8.150 nan 0.000 0.516 310 I N 3.173 123.629 120.570 -0.190 0.000 2.355 310 I HA 0.208 4.378 4.170 -0.001 0.000 0.288 310 I C -0.287 175.806 176.117 -0.040 0.000 0.999 310 I CA -0.655 60.538 61.300 -0.177 0.000 1.163 310 I CB 1.042 38.693 38.000 -0.582 0.000 1.316 310 I HN 0.706 nan 8.210 nan 0.000 0.454 311 Y N 7.119 127.393 120.300 -0.043 0.000 2.397 311 Y HA 0.396 4.946 4.550 -0.001 0.000 0.335 311 Y C -0.412 175.326 175.900 -0.269 0.000 1.213 311 Y CA -0.166 57.835 58.100 -0.166 0.000 1.391 311 Y CB 0.907 39.219 38.460 -0.247 0.000 1.293 311 Y HN 0.299 nan 8.280 nan 0.000 0.557 312 V N 8.530 127.773 119.914 -1.118 0.000 2.357 312 V HA 0.335 4.454 4.120 -0.001 0.000 0.284 312 V C -2.387 172.980 176.094 -1.212 0.000 1.018 312 V CA -2.019 59.788 62.300 -0.823 0.000 0.841 312 V CB 1.211 32.830 31.823 -0.340 0.000 0.991 312 V HN 0.703 nan 8.190 nan 0.000 0.437 313 P HA 0.375 nan 4.420 nan 0.000 0.287 313 P C 0.353 177.595 177.300 -0.096 0.000 1.294 313 P CA 0.145 63.088 63.100 -0.260 0.000 0.776 313 P CB 1.286 33.012 31.700 0.043 0.000 0.889 314 A N 3.948 126.754 122.820 -0.023 0.000 2.826 314 A HA -0.238 4.081 4.320 -0.001 0.000 0.274 314 A C 0.764 178.326 177.584 -0.037 0.000 1.443 314 A CA 1.023 53.061 52.037 0.003 0.000 0.833 314 A CB -2.719 16.303 19.000 0.036 0.000 1.023 314 A HN 0.589 nan 8.150 nan 0.000 0.600 315 D N -1.264 119.077 120.400 -0.098 0.000 2.911 315 D HA -0.156 4.484 4.640 -0.001 0.000 0.227 315 D C -0.290 175.970 176.300 -0.067 0.000 1.164 315 D CA 2.011 55.956 54.000 -0.092 0.000 0.782 315 D CB -0.877 39.892 40.800 -0.051 0.000 1.094 315 D HN 0.856 nan 8.370 nan 0.000 0.425 316 D N -0.066 120.295 120.400 -0.064 0.000 2.381 316 D HA 0.276 4.915 4.640 -0.001 0.000 0.235 316 D C 1.471 177.755 176.300 -0.026 0.000 1.068 316 D CA -0.536 53.444 54.000 -0.033 0.000 0.832 316 D CB 0.932 41.729 40.800 -0.006 0.000 1.101 316 D HN 0.018 nan 8.370 nan 0.000 0.515 317 L N 2.234 123.447 121.223 -0.018 0.000 2.156 317 L HA -0.096 4.244 4.340 -0.001 0.000 0.208 317 L C 2.342 179.240 176.870 0.046 0.000 1.095 317 L CA 1.171 56.026 54.840 0.025 0.000 0.770 317 L CB -0.409 41.645 42.059 -0.008 0.000 0.914 317 L HN 0.480 nan 8.230 nan 0.000 0.439 318 T N -3.795 110.758 114.554 -0.001 0.000 3.163 318 T HA -0.129 4.220 4.350 -0.001 0.000 0.260 318 T C 0.801 175.517 174.700 0.028 0.000 1.156 318 T CA -0.164 61.935 62.100 -0.003 0.000 1.072 318 T CB -0.534 68.319 68.868 -0.024 0.000 0.937 318 T HN 0.215 nan 8.240 nan 0.000 0.528 319 D N 2.795 123.223 120.400 0.048 0.000 2.531 319 D HA 0.017 4.656 4.640 -0.001 0.000 0.239 319 D C -1.386 174.932 176.300 0.031 0.000 1.144 319 D CA -1.404 52.639 54.000 0.073 0.000 0.869 319 D CB 1.410 42.272 40.800 0.105 0.000 1.160 319 D HN 0.072 nan 8.370 nan 0.000 0.484 320 P HA -0.231 nan 4.420 nan 0.000 0.218 320 P C 0.922 178.123 177.300 -0.164 0.000 1.154 320 P CA 2.010 65.014 63.100 -0.159 0.000 0.872 320 P CB 0.131 31.631 31.700 -0.333 0.000 0.790 321 A N -0.117 122.543 122.820 -0.266 0.000 1.845 321 A HA -0.115 4.204 4.320 -0.001 0.000 0.215 321 A C -0.034 177.671 177.584 0.202 0.000 1.195 321 A CA 2.290 54.322 52.037 -0.009 0.000 0.616 321 A CB -2.254 16.910 19.000 0.273 0.000 0.832 321 A HN 0.236 nan 8.150 nan 0.000 0.443 322 P HA -0.008 nan 4.420 nan 0.000 0.225 322 P C 1.388 178.921 177.300 0.388 0.000 1.156 322 P CA 1.611 64.902 63.100 0.320 0.000 0.787 322 P CB -0.059 31.818 31.700 0.295 0.000 0.802 323 A N 0.077 123.083 122.820 0.311 0.000 1.968 323 A HA -0.080 4.240 4.320 -0.001 0.000 0.217 323 A C 2.212 179.996 177.584 0.333 0.000 1.169 323 A CA 1.922 54.174 52.037 0.359 0.000 0.638 323 A CB -1.726 17.358 19.000 0.141 0.000 0.812 323 A HN 0.169 nan 8.150 nan 0.000 0.446 324 T N 0.034 114.724 114.554 0.226 0.000 2.904 324 T HA -0.085 4.265 4.350 -0.001 0.000 0.267 324 T C 1.899 176.777 174.700 0.296 0.000 1.059 324 T CA 1.743 63.967 62.100 0.206 0.000 1.137 324 T CB -0.488 68.470 68.868 0.150 0.000 0.879 324 T HN 0.573 nan 8.240 nan 0.000 0.467 325 T N 1.810 116.547 114.554 0.306 0.000 2.881 325 T HA -0.031 4.319 4.350 -0.001 0.000 0.270 325 T C 1.509 176.391 174.700 0.303 0.000 1.068 325 T CA 0.769 63.038 62.100 0.281 0.000 1.131 325 T CB -0.572 68.373 68.868 0.128 0.000 0.871 325 T HN 0.286 nan 8.240 nan 0.000 0.479 326 F N 2.037 122.174 119.950 0.312 0.000 2.120 326 F HA -0.087 4.440 4.527 -0.001 0.000 0.300 326 F C 2.615 178.493 175.800 0.130 0.000 1.095 326 F CA 1.058 59.206 58.000 0.245 0.000 1.249 326 F CB -0.608 38.433 39.000 0.068 0.000 0.995 326 F HN 0.160 nan 8.300 nan 0.000 0.480 327 A N -1.910 121.049 122.820 0.231 0.000 2.239 327 A HA -0.120 4.200 4.320 -0.001 0.000 0.209 327 A C 1.372 178.890 177.584 -0.110 0.000 1.171 327 A CA 0.941 52.993 52.037 0.024 0.000 0.768 327 A CB -0.921 18.034 19.000 -0.076 0.000 0.790 327 A HN 0.466 nan 8.150 nan 0.000 0.478 328 H N -1.279 117.847 119.070 0.093 0.000 2.594 328 H HA 0.396 4.952 4.556 -0.001 0.000 0.279 328 H C -0.286 175.053 175.328 0.018 0.000 1.042 328 H CA 0.125 56.196 56.048 0.038 0.000 1.177 328 H CB 0.225 29.992 29.762 0.008 0.000 1.524 328 H HN 0.340 nan 8.280 nan 0.000 0.537 329 L N -0.241 121.060 121.223 0.130 0.000 2.303 329 L HA 0.241 4.581 4.340 -0.001 0.000 0.266 329 L C 0.909 177.823 176.870 0.074 0.000 1.011 329 L CA -0.591 54.299 54.840 0.083 0.000 0.818 329 L CB 1.988 44.100 42.059 0.089 0.000 1.326 329 L HN -0.118 nan 8.230 nan 0.000 0.435 330 D N 0.406 120.835 120.400 0.048 0.000 2.338 330 D HA 0.208 4.848 4.640 -0.001 0.000 0.224 330 D C 0.066 176.417 176.300 0.084 0.000 0.967 330 D CA 0.642 54.675 54.000 0.054 0.000 0.896 330 D CB 0.940 41.758 40.800 0.030 0.000 1.028 330 D HN 0.475 nan 8.370 nan 0.000 0.493 331 A N 0.845 123.718 122.820 0.088 0.000 2.381 331 A HA 0.530 4.850 4.320 -0.001 0.000 0.299 331 A C -0.369 177.308 177.584 0.156 0.000 1.049 331 A CA -0.593 51.536 52.037 0.154 0.000 0.715 331 A CB 1.356 20.503 19.000 0.246 0.000 1.222 331 A HN -0.010 nan 8.150 nan 0.000 0.428 332 T N -0.423 114.265 114.554 0.223 0.000 2.797 332 T HA 0.705 5.055 4.350 -0.001 0.000 0.279 332 T C -0.344 174.538 174.700 0.303 0.000 0.991 332 T CA -0.453 61.819 62.100 0.287 0.000 0.979 332 T CB 1.274 70.388 68.868 0.409 0.000 0.943 332 T HN 0.433 nan 8.240 nan 0.000 0.444 333 T N 3.433 118.174 114.554 0.312 0.000 2.809 333 T HA 0.517 4.866 4.350 -0.001 0.000 0.296 333 T C -0.266 174.610 174.700 0.294 0.000 1.015 333 T CA -0.534 61.738 62.100 0.287 0.000 0.954 333 T CB 0.886 69.950 68.868 0.326 0.000 0.950 333 T HN 0.656 nan 8.240 nan 0.000 0.450 334 V N 4.880 124.938 119.914 0.239 0.000 2.472 334 V HA 0.545 4.664 4.120 -0.001 0.000 0.290 334 V C -0.444 175.728 176.094 0.129 0.000 1.037 334 V CA -0.882 61.546 62.300 0.214 0.000 0.908 334 V CB 1.527 33.430 31.823 0.132 0.000 0.985 334 V HN 0.608 nan 8.190 nan 0.000 0.454 335 L N 3.492 124.785 121.223 0.117 0.000 2.334 335 L HA 0.654 4.994 4.340 -0.001 0.000 0.276 335 L C 0.148 177.030 176.870 0.019 0.000 1.014 335 L CA 0.399 55.273 54.840 0.057 0.000 0.815 335 L CB 2.043 44.140 42.059 0.064 0.000 1.268 335 L HN 0.743 nan 8.230 nan 0.000 0.428 336 S N 2.255 117.943 115.700 -0.019 0.000 2.501 336 S HA 0.472 4.942 4.470 -0.001 0.000 0.301 336 S C 0.924 175.488 174.600 -0.060 0.000 1.096 336 S CA -0.582 57.596 58.200 -0.036 0.000 1.063 336 S CB 1.319 64.495 63.200 -0.040 0.000 1.042 336 S HN 0.708 nan 8.310 nan 0.000 0.494 337 R N 2.557 123.029 120.500 -0.046 0.000 2.115 337 R HA 0.042 4.381 4.340 -0.001 0.000 0.226 337 R C 2.087 178.351 176.300 -0.059 0.000 1.100 337 R CA 1.412 57.485 56.100 -0.046 0.000 0.980 337 R CB -0.598 29.689 30.300 -0.022 0.000 0.875 337 R HN 0.778 nan 8.270 nan 0.000 0.445 338 A N 0.758 123.546 122.820 -0.052 0.000 1.969 338 A HA -0.100 4.219 4.320 -0.001 0.000 0.218 338 A C 2.018 179.561 177.584 -0.067 0.000 1.169 338 A CA 1.062 53.070 52.037 -0.049 0.000 0.635 338 A CB -0.317 18.660 19.000 -0.039 0.000 0.810 338 A HN 0.307 nan 8.150 nan 0.000 0.445 339 I N -0.479 120.038 120.570 -0.089 0.000 2.286 339 I HA -0.191 3.979 4.170 -0.001 0.000 0.245 339 I C 2.905 178.892 176.117 -0.216 0.000 1.104 339 I CA 0.937 62.169 61.300 -0.115 0.000 1.397 339 I CB -0.285 37.654 38.000 -0.102 0.000 1.072 339 I HN 0.321 nan 8.210 nan 0.000 0.417 340 A N 0.086 122.718 122.820 -0.313 0.000 2.019 340 A HA -0.240 4.080 4.320 -0.001 0.000 0.219 340 A C 2.257 179.671 177.584 -0.283 0.000 1.164 340 A CA 1.586 53.266 52.037 -0.594 0.000 0.644 340 A CB -0.583 18.117 19.000 -0.501 0.000 0.805 340 A HN 0.452 nan 8.150 nan 0.000 0.449 341 E N -0.179 119.946 120.200 -0.124 0.000 2.110 341 E HA -0.121 4.228 4.350 -0.001 0.000 0.193 341 E C 1.164 177.752 176.600 -0.020 0.000 0.988 341 E CA 0.889 57.268 56.400 -0.036 0.000 0.804 341 E CB -0.154 29.529 29.700 -0.029 0.000 0.745 341 E HN 0.670 nan 8.360 nan 0.000 0.458 342 L N -0.567 120.628 121.223 -0.046 0.000 2.627 342 L HA 0.195 4.534 4.340 -0.001 0.000 0.232 342 L C 1.366 178.236 176.870 -0.000 0.000 1.150 342 L CA 0.371 55.195 54.840 -0.026 0.000 0.917 342 L CB -0.054 41.990 42.059 -0.025 0.000 1.104 342 L HN 0.322 nan 8.230 nan 0.000 0.445 343 G N 0.495 109.318 108.800 0.039 0.000 2.184 343 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.264 343 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.264 343 G C 0.366 175.420 174.900 0.257 0.000 0.975 343 G CA -0.313 44.914 45.100 0.212 0.000 0.642 343 G HN 0.235 nan 8.290 nan 0.000 0.536 344 I N 1.350 121.934 120.570 0.023 0.000 2.471 344 I HA 0.310 4.479 4.170 -0.001 0.000 0.294 344 I C -0.087 175.884 176.117 -0.243 0.000 1.123 344 I CA -0.152 61.154 61.300 0.010 0.000 1.336 344 I CB -1.090 36.904 38.000 -0.010 0.000 1.430 344 I HN 0.084 nan 8.210 nan 0.000 0.533 345 Y N 7.465 127.736 120.300 -0.048 0.000 2.376 345 Y HA 0.410 4.960 4.550 -0.001 0.000 0.340 345 Y C -1.984 173.740 175.900 -0.294 0.000 0.965 345 Y CA -2.505 55.492 58.100 -0.171 0.000 1.078 345 Y CB 1.857 40.205 38.460 -0.188 0.000 1.193 345 Y HN 0.412 nan 8.280 nan 0.000 0.452 346 P HA 0.104 nan 4.420 nan 0.000 0.271 346 P C -0.420 176.812 177.300 -0.113 0.000 1.218 346 P CA -0.208 62.798 63.100 -0.157 0.000 0.780 346 P CB 1.138 32.768 31.700 -0.116 0.000 0.901 347 A N 3.080 125.816 122.820 -0.140 0.000 2.929 347 A HA 0.249 4.568 4.320 -0.001 0.000 0.279 347 A C 0.418 177.965 177.584 -0.061 0.000 1.418 347 A CA -0.367 51.563 52.037 -0.179 0.000 1.035 347 A CB -1.013 17.814 19.000 -0.287 0.000 1.047 347 A HN 0.361 nan 8.150 nan 0.000 0.609 348 V N 1.253 121.158 119.914 -0.016 0.000 2.572 348 V HA 0.042 4.161 4.120 -0.001 0.000 0.291 348 V C 0.358 176.455 176.094 0.004 0.000 1.039 348 V CA -0.432 61.883 62.300 0.024 0.000 1.055 348 V CB 0.978 32.831 31.823 0.050 0.000 0.969 348 V HN 0.586 nan 8.190 nan 0.000 0.482 349 D N 7.859 128.269 120.400 0.016 0.000 2.336 349 D HA 0.178 4.818 4.640 -0.001 0.000 0.249 349 D C -1.190 175.110 176.300 0.000 0.000 1.213 349 D CA -2.076 51.925 54.000 0.002 0.000 0.870 349 D CB 1.884 42.686 40.800 0.004 0.000 1.076 349 D HN 0.264 nan 8.370 nan 0.000 0.483 350 P HA -0.082 nan 4.420 nan 0.000 0.222 350 P C 1.239 178.520 177.300 -0.031 0.000 1.147 350 P CA 0.702 63.780 63.100 -0.037 0.000 0.790 350 P CB 0.414 32.083 31.700 -0.052 0.000 0.780 351 L N -1.251 119.959 121.223 -0.022 0.000 2.607 351 L HA 0.223 4.563 4.340 -0.001 0.000 0.228 351 L C 1.644 178.500 176.870 -0.022 0.000 1.123 351 L CA 0.418 55.243 54.840 -0.026 0.000 0.890 351 L CB -0.204 41.838 42.059 -0.028 0.000 1.103 351 L HN -0.139 nan 8.230 nan 0.000 0.468 352 D N -0.936 119.459 120.400 -0.007 0.000 2.474 352 D HA 0.101 4.740 4.640 -0.001 0.000 0.213 352 D C 0.172 176.501 176.300 0.048 0.000 1.120 352 D CA 0.252 54.252 54.000 -0.000 0.000 0.836 352 D CB 0.811 41.608 40.800 -0.005 0.000 1.019 352 D HN -0.020 nan 8.370 nan 0.000 0.507 353 S N 0.234 115.968 115.700 0.057 0.000 2.438 353 S HA 0.473 4.943 4.470 -0.001 0.000 0.293 353 S C 0.056 174.709 174.600 0.089 0.000 1.141 353 S CA -0.531 57.729 58.200 0.101 0.000 1.080 353 S CB 1.503 64.760 63.200 0.094 0.000 0.978 353 S HN 0.190 nan 8.310 nan 0.000 0.479 354 T N -0.121 114.508 114.554 0.126 0.000 2.848 354 T HA 0.678 5.027 4.350 -0.001 0.000 0.285 354 T C -0.379 174.400 174.700 0.131 0.000 0.995 354 T CA -0.758 61.407 62.100 0.108 0.000 0.970 354 T CB 1.662 70.588 68.868 0.096 0.000 0.976 354 T HN 0.335 nan 8.240 nan 0.000 0.441 355 S N 0.693 116.460 115.700 0.111 0.000 2.568 355 S HA 0.467 4.937 4.470 -0.001 0.000 0.302 355 S C 1.082 175.737 174.600 0.091 0.000 1.082 355 S CA -0.950 57.319 58.200 0.115 0.000 1.009 355 S CB 1.825 65.090 63.200 0.108 0.000 1.069 355 S HN 0.860 nan 8.310 nan 0.000 0.500 356 R N 2.062 122.611 120.500 0.082 0.000 2.153 356 R HA 0.114 4.453 4.340 -0.001 0.000 0.218 356 R C 1.662 177.989 176.300 0.044 0.000 1.072 356 R CA 1.643 57.778 56.100 0.058 0.000 0.990 356 R CB -0.311 30.018 30.300 0.050 0.000 0.889 356 R HN 0.823 nan 8.270 nan 0.000 0.452 357 I N -2.232 118.365 120.570 0.045 0.000 3.812 357 I HA 0.160 4.330 4.170 -0.001 0.000 0.320 357 I C 0.444 176.570 176.117 0.016 0.000 1.276 357 I CA -0.050 61.261 61.300 0.019 0.000 1.164 357 I CB 0.319 38.324 38.000 0.009 0.000 1.009 357 I HN -0.015 nan 8.210 nan 0.000 0.431 358 M N 2.559 122.194 119.600 0.060 0.000 3.520 358 M HA 0.159 4.639 4.480 -0.001 0.000 0.188 358 M C -0.325 176.073 176.300 0.165 0.000 1.400 358 M CA 0.602 55.978 55.300 0.128 0.000 1.553 358 M CB -1.667 31.026 32.600 0.156 0.000 1.333 358 M HN 0.286 nan 8.290 nan 0.000 0.452 359 D N 0.935 121.351 120.400 0.027 0.000 2.308 359 D HA 0.298 4.937 4.640 -0.001 0.000 0.242 359 D C -1.865 174.353 176.300 -0.138 0.000 1.059 359 D CA -1.659 52.278 54.000 -0.104 0.000 0.830 359 D CB 2.561 43.316 40.800 -0.077 0.000 1.161 359 D HN 0.052 nan 8.370 nan 0.000 0.494 360 P HA -0.109 nan 4.420 nan 0.000 0.221 360 P C 0.657 177.900 177.300 -0.094 0.000 1.145 360 P CA 0.663 63.661 63.100 -0.170 0.000 0.795 360 P CB 0.494 32.022 31.700 -0.288 0.000 0.775 361 N N -0.559 118.077 118.700 -0.106 0.000 2.550 361 N HA -0.002 4.738 4.740 -0.001 0.000 0.186 361 N C 1.678 177.161 175.510 -0.046 0.000 1.110 361 N CA 0.755 53.767 53.050 -0.065 0.000 0.912 361 N CB -0.182 38.267 38.487 -0.064 0.000 0.968 361 N HN 0.354 nan 8.380 nan 0.000 0.448 362 I N -0.919 119.621 120.570 -0.051 0.000 3.345 362 I HA -0.032 4.137 4.170 -0.001 0.000 0.258 362 I C 1.812 177.897 176.117 -0.053 0.000 1.134 362 I CA 0.224 61.498 61.300 -0.044 0.000 1.457 362 I CB -0.122 37.852 38.000 -0.044 0.000 1.425 362 I HN -0.134 nan 8.210 nan 0.000 0.461 363 V N -0.683 119.182 119.914 -0.083 0.000 3.406 363 V HA 0.525 4.645 4.120 -0.001 0.000 0.263 363 V C 0.867 176.942 176.094 -0.032 0.000 1.172 363 V CA 0.267 62.475 62.300 -0.153 0.000 1.140 363 V CB -1.092 30.467 31.823 -0.440 0.000 0.784 363 V HN 0.561 nan 8.190 nan 0.000 0.467 364 G N 0.768 109.579 108.800 0.018 0.000 2.784 364 G HA2 -0.063 3.897 3.960 -0.001 0.000 0.686 364 G HA3 -0.063 3.897 3.960 -0.001 0.000 0.686 364 G C 0.282 175.255 174.900 0.122 0.000 1.156 364 G CA 0.135 45.278 45.100 0.071 0.000 0.757 364 G HN 1.166 nan 8.290 nan 0.000 0.642 365 S N -0.047 115.711 115.700 0.097 0.000 2.453 365 S HA -0.027 4.442 4.470 -0.001 0.000 0.231 365 S C 1.653 176.356 174.600 0.172 0.000 1.005 365 S CA 1.619 59.894 58.200 0.126 0.000 0.949 365 S CB 0.115 63.357 63.200 0.070 0.000 0.774 365 S HN 0.854 nan 8.310 nan 0.000 0.510 366 E N 1.103 121.390 120.200 0.145 0.000 2.028 366 E HA -0.239 4.111 4.350 -0.001 0.000 0.190 366 E C 2.003 178.700 176.600 0.161 0.000 0.984 366 E CA 1.055 57.533 56.400 0.130 0.000 0.800 366 E CB -0.346 29.413 29.700 0.100 0.000 0.758 366 E HN 0.818 nan 8.360 nan 0.000 0.448 367 H N -1.168 117.956 119.070 0.090 0.000 2.319 367 H HA -0.241 4.315 4.556 -0.001 0.000 0.297 367 H C 2.071 177.451 175.328 0.088 0.000 1.097 367 H CA 2.244 58.340 56.048 0.081 0.000 1.285 367 H CB -0.192 29.617 29.762 0.078 0.000 1.368 367 H HN 0.266 nan 8.280 nan 0.000 0.495 368 Y N 1.300 121.732 120.300 0.220 0.000 2.114 368 Y HA -0.233 4.317 4.550 -0.001 0.000 0.284 368 Y C 2.103 178.051 175.900 0.080 0.000 1.143 368 Y CA 1.982 60.160 58.100 0.131 0.000 1.135 368 Y CB -0.318 38.182 38.460 0.068 0.000 0.980 368 Y HN 0.311 nan 8.280 nan 0.000 0.499 369 D N -0.622 119.860 120.400 0.135 0.000 2.178 369 D HA -0.159 4.481 4.640 -0.001 0.000 0.201 369 D C 2.394 178.670 176.300 -0.039 0.000 0.980 369 D CA 1.390 55.409 54.000 0.032 0.000 0.842 369 D CB -0.295 40.573 40.800 0.113 0.000 0.948 369 D HN 0.321 nan 8.370 nan 0.000 0.472 370 V N 1.464 121.370 119.914 -0.014 0.000 2.270 370 V HA -0.230 3.890 4.120 -0.001 0.000 0.245 370 V C 2.564 178.602 176.094 -0.094 0.000 1.043 370 V CA 1.852 64.134 62.300 -0.029 0.000 1.014 370 V CB -0.771 31.042 31.823 -0.017 0.000 0.645 370 V HN 0.175 nan 8.190 nan 0.000 0.447 371 A N -0.285 122.453 122.820 -0.136 0.000 1.877 371 A HA -0.245 4.074 4.320 -0.001 0.000 0.216 371 A C 2.430 179.886 177.584 -0.212 0.000 1.186 371 A CA 1.933 53.860 52.037 -0.183 0.000 0.620 371 A CB -0.626 18.299 19.000 -0.125 0.000 0.822 371 A HN 0.401 nan 8.150 nan 0.000 0.443 372 R N -0.603 119.717 120.500 -0.299 0.000 2.091 372 R HA -0.158 4.181 4.340 -0.001 0.000 0.238 372 R C 2.272 178.480 176.300 -0.153 0.000 1.136 372 R CA 1.671 57.600 56.100 -0.284 0.000 0.959 372 R CB -0.733 29.317 30.300 -0.417 0.000 0.856 372 R HN 0.518 nan 8.270 nan 0.000 0.437 373 G N -0.246 108.485 108.800 -0.116 0.000 2.408 373 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.217 373 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.217 373 G C 1.477 176.344 174.900 -0.054 0.000 1.150 373 G CA 0.582 45.646 45.100 -0.060 0.000 0.776 373 G HN 0.202 nan 8.290 nan 0.000 0.542 374 V N 0.535 120.397 119.914 -0.086 0.000 2.295 374 V HA -0.268 3.851 4.120 -0.001 0.000 0.246 374 V C 2.907 178.946 176.094 -0.093 0.000 1.049 374 V CA 2.324 64.562 62.300 -0.104 0.000 1.024 374 V CB -0.611 31.064 31.823 -0.247 0.000 0.648 374 V HN 0.418 nan 8.190 nan 0.000 0.447 375 Q N -0.420 119.317 119.800 -0.106 0.000 2.079 375 Q HA -0.221 4.119 4.340 -0.001 0.000 0.200 375 Q C 2.411 178.386 176.000 -0.043 0.000 0.974 375 Q CA 1.622 57.379 55.803 -0.078 0.000 0.840 375 Q CB -0.246 28.439 28.738 -0.087 0.000 0.898 375 Q HN 0.547 nan 8.270 nan 0.000 0.430 376 K N 0.920 121.294 120.400 -0.043 0.000 2.032 376 K HA -0.182 4.138 4.320 -0.001 0.000 0.209 376 K C 1.972 178.572 176.600 0.000 0.000 1.048 376 K CA 1.221 57.495 56.287 -0.021 0.000 0.927 376 K CB -0.154 32.332 32.500 -0.023 0.000 0.712 376 K HN 0.221 nan 8.250 nan 0.000 0.441 377 I N 0.848 121.420 120.570 0.002 0.000 2.439 377 I HA -0.218 3.952 4.170 -0.001 0.000 0.251 377 I C 1.760 177.908 176.117 0.051 0.000 1.139 377 I CA 0.747 62.060 61.300 0.021 0.000 1.438 377 I CB 0.177 38.182 38.000 0.007 0.000 1.085 377 I HN 0.185 nan 8.210 nan 0.000 0.427 378 L N 0.061 121.309 121.223 0.041 0.000 2.109 378 L HA -0.172 4.167 4.340 -0.001 0.000 0.207 378 L C 2.518 179.445 176.870 0.095 0.000 1.086 378 L CA 0.909 55.801 54.840 0.086 0.000 0.760 378 L CB -0.611 41.472 42.059 0.041 0.000 0.910 378 L HN 0.287 nan 8.230 nan 0.000 0.437 379 Q N 0.470 120.294 119.800 0.039 0.000 2.050 379 Q HA -0.227 4.113 4.340 -0.001 0.000 0.202 379 Q C 1.778 177.793 176.000 0.024 0.000 0.980 379 Q CA 1.867 57.680 55.803 0.017 0.000 0.840 379 Q CB -0.172 28.564 28.738 -0.004 0.000 0.898 379 Q HN 0.360 nan 8.270 nan 0.000 0.424 380 D N -0.925 119.501 120.400 0.043 0.000 2.144 380 D HA -0.169 4.471 4.640 -0.001 0.000 0.199 380 D C 1.609 177.957 176.300 0.079 0.000 0.984 380 D CA 1.193 55.221 54.000 0.047 0.000 0.834 380 D CB -0.256 40.572 40.800 0.047 0.000 0.955 380 D HN 0.374 nan 8.370 nan 0.000 0.465 381 Y N 1.958 122.249 120.300 -0.016 0.000 2.242 381 Y HA -0.139 4.411 4.550 -0.001 0.000 0.291 381 Y C 2.198 178.088 175.900 -0.016 0.000 1.137 381 Y CA 1.393 59.485 58.100 -0.014 0.000 1.181 381 Y CB -0.106 38.345 38.460 -0.014 0.000 0.989 381 Y HN -0.213 nan 8.280 nan 0.000 0.527 382 K N -0.546 119.769 120.400 -0.142 0.000 2.097 382 K HA -0.144 4.176 4.320 -0.001 0.000 0.206 382 K C 2.165 178.655 176.600 -0.183 0.000 1.049 382 K CA 1.525 57.680 56.287 -0.220 0.000 0.933 382 K CB -0.169 32.276 32.500 -0.092 0.000 0.717 382 K HN 0.286 nan 8.250 nan 0.000 0.442 383 S N 0.896 116.531 115.700 -0.108 0.000 2.406 383 S HA -0.019 4.451 4.470 -0.001 0.000 0.228 383 S C 1.712 176.258 174.600 -0.089 0.000 1.020 383 S CA 0.760 58.913 58.200 -0.079 0.000 0.965 383 S CB -0.014 63.161 63.200 -0.041 0.000 0.798 383 S HN 0.240 nan 8.310 nan 0.000 0.488 384 L N 1.052 122.212 121.223 -0.105 0.000 2.270 384 L HA 0.010 4.350 4.340 -0.001 0.000 0.210 384 L C 2.544 179.330 176.870 -0.140 0.000 1.104 384 L CA 0.615 55.406 54.840 -0.081 0.000 0.804 384 L CB -0.496 41.559 42.059 -0.005 0.000 0.937 384 L HN 0.252 nan 8.230 nan 0.000 0.450 385 Q N 0.296 119.924 119.800 -0.288 0.000 2.096 385 Q HA -0.278 4.062 4.340 -0.001 0.000 0.208 385 Q C 1.568 177.476 176.000 -0.154 0.000 0.993 385 Q CA 2.003 57.617 55.803 -0.314 0.000 0.862 385 Q CB -0.153 28.327 28.738 -0.430 0.000 0.915 385 Q HN 0.510 nan 8.270 nan 0.000 0.416 386 D N -0.339 119.988 120.400 -0.122 0.000 2.277 386 D HA -0.073 4.567 4.640 -0.001 0.000 0.208 386 D C 1.770 178.038 176.300 -0.053 0.000 0.962 386 D CA 0.584 54.538 54.000 -0.077 0.000 0.865 386 D CB 0.203 40.962 40.800 -0.068 0.000 0.939 386 D HN 0.224 nan 8.370 nan 0.000 0.510 387 I N 1.347 121.886 120.570 -0.052 0.000 2.333 387 I HA -0.126 4.043 4.170 -0.001 0.000 0.246 387 I C 2.622 178.726 176.117 -0.021 0.000 1.106 387 I CA 0.699 61.980 61.300 -0.032 0.000 1.411 387 I CB -1.125 36.859 38.000 -0.027 0.000 1.082 387 I HN 0.044 nan 8.210 nan 0.000 0.420 388 I N -0.552 120.004 120.570 -0.022 0.000 2.761 388 I HA 0.079 4.248 4.170 -0.001 0.000 0.261 388 I C 2.514 178.628 176.117 -0.004 0.000 1.198 388 I CA 1.031 62.329 61.300 -0.004 0.000 1.482 388 I CB -0.562 37.448 38.000 0.017 0.000 1.100 388 I HN -0.025 nan 8.210 nan 0.000 0.445 389 A N 1.601 124.410 122.820 -0.018 0.000 2.015 389 A HA 0.029 4.348 4.320 -0.001 0.000 0.219 389 A C 2.277 179.854 177.584 -0.011 0.000 1.163 389 A CA 1.580 53.608 52.037 -0.015 0.000 0.646 389 A CB -0.582 18.401 19.000 -0.029 0.000 0.806 389 A HN 0.562 nan 8.150 nan 0.000 0.448 390 I N -1.567 118.995 120.570 -0.013 0.000 3.039 390 I HA 0.084 4.254 4.170 -0.001 0.000 0.270 390 I C 0.784 176.898 176.117 -0.005 0.000 1.150 390 I CA 0.442 61.737 61.300 -0.009 0.000 1.448 390 I CB 0.265 38.258 38.000 -0.012 0.000 1.197 390 I HN 0.107 nan 8.210 nan 0.000 0.450 391 L N 1.283 122.502 121.223 -0.005 0.000 2.912 391 L HA 0.418 4.757 4.340 -0.001 0.000 0.240 391 L C 0.773 177.644 176.870 0.002 0.000 1.262 391 L CA -0.386 54.453 54.840 -0.002 0.000 1.058 391 L CB -0.727 41.330 42.059 -0.003 0.000 1.383 391 L HN 0.304 nan 8.230 nan 0.000 0.512 392 G N 0.666 109.468 108.800 0.004 0.000 2.806 392 G HA2 -0.363 3.596 3.960 -0.001 0.000 0.236 392 G HA3 -0.363 3.596 3.960 -0.001 0.000 0.236 392 G C 0.092 175.000 174.900 0.014 0.000 1.387 392 G CA 0.372 45.477 45.100 0.009 0.000 0.884 392 G HN 0.247 nan 8.290 nan 0.000 0.560 393 M N -1.297 118.313 119.600 0.018 0.000 2.615 393 M HA 0.260 4.740 4.480 -0.001 0.000 0.262 393 M C 1.779 178.091 176.300 0.020 0.000 1.198 393 M CA 1.828 57.143 55.300 0.024 0.000 1.165 393 M CB 0.126 32.743 32.600 0.028 0.000 1.310 393 M HN 0.509 nan 8.290 nan 0.000 0.494 394 D N 0.714 121.123 120.400 0.015 0.000 2.265 394 D HA -0.150 4.489 4.640 -0.001 0.000 0.208 394 D C 1.391 177.698 176.300 0.012 0.000 0.977 394 D CA 0.945 54.953 54.000 0.013 0.000 0.871 394 D CB -0.081 40.725 40.800 0.010 0.000 0.925 394 D HN 0.371 nan 8.370 nan 0.000 0.485 395 E N -0.135 120.072 120.200 0.012 0.000 2.511 395 E HA 0.038 4.388 4.350 -0.001 0.000 0.196 395 E C 0.417 177.024 176.600 0.012 0.000 1.066 395 E CA 0.075 56.481 56.400 0.010 0.000 0.871 395 E CB -0.014 29.690 29.700 0.007 0.000 0.863 395 E HN 0.385 nan 8.360 nan 0.000 0.520 396 L N 1.672 122.905 121.223 0.016 0.000 2.326 396 L HA 0.129 4.469 4.340 -0.001 0.000 0.278 396 L C 0.989 177.868 176.870 0.016 0.000 1.092 396 L CA -0.547 54.304 54.840 0.019 0.000 0.810 396 L CB 1.122 43.197 42.059 0.027 0.000 1.153 396 L HN -0.051 nan 8.230 nan 0.000 0.439 397 S N 1.599 117.308 115.700 0.014 0.000 2.617 397 S HA 0.090 4.559 4.470 -0.001 0.000 0.259 397 S C 0.859 175.467 174.600 0.013 0.000 1.301 397 S CA -0.582 57.625 58.200 0.012 0.000 0.984 397 S CB 0.778 63.984 63.200 0.011 0.000 0.954 397 S HN 0.600 nan 8.310 nan 0.000 0.572 398 E N 0.560 120.767 120.200 0.011 0.000 2.472 398 E HA -0.032 4.318 4.350 -0.001 0.000 0.200 398 E C 0.975 177.581 176.600 0.011 0.000 1.046 398 E CA 0.619 57.026 56.400 0.011 0.000 0.871 398 E CB -0.140 29.566 29.700 0.010 0.000 0.806 398 E HN 0.666 nan 8.360 nan 0.000 0.533 399 E N -0.062 120.145 120.200 0.012 0.000 2.489 399 E HA 0.029 4.378 4.350 -0.001 0.000 0.204 399 E C 0.659 177.268 176.600 0.015 0.000 1.006 399 E CA 0.091 56.498 56.400 0.012 0.000 0.936 399 E CB 0.442 30.148 29.700 0.011 0.000 1.002 399 E HN 0.174 nan 8.360 nan 0.000 0.488 400 D N 1.598 122.009 120.400 0.018 0.000 2.320 400 D HA -0.072 4.567 4.640 -0.001 0.000 0.228 400 D C 1.824 178.142 176.300 0.030 0.000 0.978 400 D CA 0.923 54.937 54.000 0.024 0.000 0.905 400 D CB -0.066 40.749 40.800 0.025 0.000 1.051 400 D HN 0.213 nan 8.370 nan 0.000 0.471 401 K N 0.760 121.176 120.400 0.026 0.000 2.439 401 K HA -0.018 4.302 4.320 -0.001 0.000 0.197 401 K C 1.849 178.456 176.600 0.011 0.000 1.041 401 K CA 0.402 56.704 56.287 0.027 0.000 0.970 401 K CB -0.058 32.457 32.500 0.026 0.000 0.773 401 K HN 0.012 nan 8.250 nan 0.000 0.479 402 L N 2.615 123.843 121.223 0.008 0.000 2.156 402 L HA -0.110 4.229 4.340 -0.001 0.000 0.208 402 L C 2.491 179.353 176.870 -0.013 0.000 1.095 402 L CA 1.969 56.809 54.840 -0.000 0.000 0.770 402 L CB -0.462 41.601 42.059 0.006 0.000 0.914 402 L HN 0.502 nan 8.230 nan 0.000 0.439 403 T N -5.079 109.473 114.554 -0.004 0.000 2.904 403 T HA -0.095 4.254 4.350 -0.001 0.000 0.267 403 T C 1.873 176.544 174.700 -0.049 0.000 1.059 403 T CA 1.171 63.263 62.100 -0.012 0.000 1.137 403 T CB -0.804 68.074 68.868 0.016 0.000 0.879 403 T HN 0.072 nan 8.240 nan 0.000 0.467 404 V N 2.978 122.875 119.914 -0.028 0.000 2.287 404 V HA -0.187 3.933 4.120 -0.001 0.000 0.248 404 V C 3.246 179.199 176.094 -0.236 0.000 1.053 404 V CA 2.302 64.545 62.300 -0.096 0.000 1.027 404 V CB -1.051 30.804 31.823 0.054 0.000 0.646 404 V HN 0.811 nan 8.190 nan 0.000 0.447 405 S N -0.181 115.443 115.700 -0.126 0.000 2.423 405 S HA -0.182 4.288 4.470 -0.001 0.000 0.231 405 S C 2.041 176.546 174.600 -0.157 0.000 1.014 405 S CA 1.183 59.308 58.200 -0.124 0.000 0.965 405 S CB -0.401 62.766 63.200 -0.056 0.000 0.785 405 S HN 0.555 nan 8.310 nan 0.000 0.495 406 R N 1.165 121.579 120.500 -0.144 0.000 2.062 406 R HA 0.182 4.522 4.340 -0.001 0.000 0.229 406 R C 2.811 178.998 176.300 -0.189 0.000 1.128 406 R CA 1.200 57.208 56.100 -0.153 0.000 0.960 406 R CB -0.746 29.502 30.300 -0.087 0.000 0.855 406 R HN 0.543 nan 8.270 nan 0.000 0.432 407 A N 1.272 123.963 122.820 -0.215 0.000 1.940 407 A HA -0.182 4.137 4.320 -0.001 0.000 0.219 407 A C 2.002 179.413 177.584 -0.289 0.000 1.176 407 A CA 1.311 53.206 52.037 -0.236 0.000 0.631 407 A CB -0.362 18.462 19.000 -0.294 0.000 0.814 407 A HN 0.245 nan 8.150 nan 0.000 0.446 408 R N -0.499 119.764 120.500 -0.396 0.000 2.148 408 R HA -0.025 4.315 4.340 -0.001 0.000 0.223 408 R C 1.897 178.104 176.300 -0.154 0.000 1.088 408 R CA 1.340 57.272 56.100 -0.280 0.000 0.985 408 R CB -0.169 29.963 30.300 -0.279 0.000 0.880 408 R HN 0.486 nan 8.270 nan 0.000 0.451 409 K N 0.357 120.621 120.400 -0.228 0.000 2.186 409 K HA 0.073 4.393 4.320 -0.001 0.000 0.202 409 K C 1.912 178.314 176.600 -0.331 0.000 1.052 409 K CA 0.678 56.732 56.287 -0.388 0.000 0.965 409 K CB 0.170 32.228 32.500 -0.737 0.000 0.746 409 K HN 0.083 nan 8.250 nan 0.000 0.457 410 I N 1.272 121.751 120.570 -0.152 0.000 2.353 410 I HA -0.260 3.910 4.170 -0.001 0.000 0.248 410 I C 2.739 178.989 176.117 0.222 0.000 1.119 410 I CA 1.077 62.458 61.300 0.134 0.000 1.417 410 I CB -0.087 38.001 38.000 0.147 0.000 1.078 410 I HN 0.252 nan 8.210 nan 0.000 0.421 411 Q N 1.136 120.981 119.800 0.076 0.000 2.096 411 Q HA -0.238 4.101 4.340 -0.001 0.000 0.204 411 Q C 2.286 178.367 176.000 0.134 0.000 0.982 411 Q CA 1.738 57.591 55.803 0.083 0.000 0.850 411 Q CB 0.064 28.822 28.738 0.035 0.000 0.901 411 Q HN 0.407 nan 8.270 nan 0.000 0.422 412 R N -0.986 119.603 120.500 0.148 0.000 2.161 412 R HA -0.028 4.312 4.340 -0.001 0.000 0.213 412 R C 1.901 178.377 176.300 0.293 0.000 1.055 412 R CA 0.618 56.865 56.100 0.244 0.000 0.996 412 R CB -0.045 30.419 30.300 0.274 0.000 0.901 412 R HN 0.233 nan 8.270 nan 0.000 0.456 413 F N 0.946 120.948 119.950 0.087 0.000 2.502 413 F HA 0.035 4.562 4.527 -0.001 0.000 0.298 413 F C 1.434 177.325 175.800 0.152 0.000 1.111 413 F CA 0.785 58.802 58.000 0.029 0.000 1.445 413 F CB 0.019 38.866 39.000 -0.254 0.000 1.081 413 F HN -0.083 nan 8.300 nan 0.000 0.558 414 L N -0.116 121.236 121.223 0.215 0.000 2.201 414 L HA -0.093 4.247 4.340 -0.001 0.000 0.212 414 L C 1.460 178.337 176.870 0.012 0.000 1.105 414 L CA 0.632 55.553 54.840 0.135 0.000 0.775 414 L CB -0.775 41.348 42.059 0.107 0.000 0.913 414 L HN 0.159 nan 8.230 nan 0.000 0.440 415 S N -0.016 115.697 115.700 0.022 0.000 2.560 415 S HA 0.123 4.592 4.470 -0.001 0.000 0.284 415 S C -0.263 174.281 174.600 -0.095 0.000 1.327 415 S CA -0.388 57.788 58.200 -0.041 0.000 1.055 415 S CB 1.279 64.451 63.200 -0.047 0.000 0.868 415 S HN 0.305 nan 8.310 nan 0.000 0.506 416 Q N 2.189 121.934 119.800 -0.092 0.000 2.263 416 Q HA 0.381 4.721 4.340 -0.001 0.000 0.266 416 Q C -2.930 173.071 176.000 0.003 0.000 1.002 416 Q CA -2.356 53.440 55.803 -0.013 0.000 0.790 416 Q CB 2.215 31.043 28.738 0.149 0.000 1.272 416 Q HN 0.516 nan 8.270 nan 0.000 0.435 417 P HA 0.064 nan 4.420 nan 0.000 0.269 417 P C -0.807 176.646 177.300 0.254 0.000 1.263 417 P CA 0.089 63.206 63.100 0.029 0.000 0.813 417 P CB -0.052 31.615 31.700 -0.054 0.000 0.868 418 F N 1.835 121.791 119.950 0.009 0.000 2.450 418 F HA 0.142 4.668 4.527 -0.001 0.000 0.339 418 F C 2.146 177.958 175.800 0.019 0.000 1.146 418 F CA -0.522 57.492 58.000 0.023 0.000 1.267 418 F CB 0.244 39.274 39.000 0.050 0.000 1.178 418 F HN 0.388 nan 8.300 nan 0.000 0.585 419 Q N 0.801 120.678 119.800 0.128 0.000 2.378 419 Q HA -0.020 4.319 4.340 -0.001 0.000 0.205 419 Q C 1.488 177.520 176.000 0.054 0.000 0.954 419 Q CA 0.620 56.457 55.803 0.056 0.000 0.901 419 Q CB 0.271 29.006 28.738 -0.005 0.000 0.981 419 Q HN 0.584 nan 8.270 nan 0.000 0.483 420 V N -0.067 119.907 119.914 0.101 0.000 2.725 420 V HA -0.011 4.109 4.120 -0.001 0.000 0.247 420 V C 1.668 177.813 176.094 0.085 0.000 1.058 420 V CA 1.311 63.662 62.300 0.086 0.000 1.080 420 V CB 0.019 31.914 31.823 0.120 0.000 0.713 420 V HN 0.306 nan 8.190 nan 0.000 0.465 421 A N -0.517 122.413 122.820 0.184 0.000 2.327 421 A HA 0.075 4.394 4.320 -0.001 0.000 0.228 421 A C 1.765 179.355 177.584 0.010 0.000 1.275 421 A CA 0.111 52.259 52.037 0.184 0.000 0.875 421 A CB -0.542 18.637 19.000 0.299 0.000 0.925 421 A HN 0.572 nan 8.150 nan 0.000 0.493 422 E N -0.161 120.013 120.200 -0.043 0.000 2.130 422 E HA -0.216 4.133 4.350 -0.001 0.000 0.196 422 E C 1.980 178.493 176.600 -0.144 0.000 0.998 422 E CA 1.805 58.172 56.400 -0.055 0.000 0.806 422 E CB -0.357 29.312 29.700 -0.052 0.000 0.738 422 E HN 0.700 nan 8.360 nan 0.000 0.459 423 V N -1.491 118.213 119.914 -0.349 0.000 2.759 423 V HA -0.170 3.950 4.120 -0.001 0.000 0.256 423 V C 1.639 177.495 176.094 -0.396 0.000 1.080 423 V CA 1.365 63.395 62.300 -0.449 0.000 1.101 423 V CB -0.608 30.835 31.823 -0.633 0.000 0.698 423 V HN 0.061 nan 8.190 nan 0.000 0.477 424 F N 1.954 121.893 119.950 -0.019 0.000 2.399 424 F HA 0.142 4.668 4.527 -0.001 0.000 0.282 424 F C 2.891 178.681 175.800 -0.017 0.000 1.027 424 F CA 1.195 59.168 58.000 -0.046 0.000 1.333 424 F CB -1.576 37.354 39.000 -0.117 0.000 1.132 424 F HN 0.205 nan 8.300 nan 0.000 0.590 425 T N -1.961 112.705 114.554 0.186 0.000 2.708 425 T HA 0.104 4.454 4.350 -0.001 0.000 0.266 425 T C 1.980 176.839 174.700 0.265 0.000 1.037 425 T CA 1.466 63.684 62.100 0.196 0.000 1.146 425 T CB -1.056 67.911 68.868 0.165 0.000 0.865 425 T HN 0.652 nan 8.240 nan 0.000 0.435 426 G N 0.956 109.840 108.800 0.141 0.000 2.141 426 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.242 426 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.242 426 G C -0.143 174.683 174.900 -0.124 0.000 0.982 426 G CA 0.230 45.334 45.100 0.005 0.000 0.662 426 G HN 0.901 nan 8.290 nan 0.000 0.527 427 H N -1.509 117.563 119.070 0.003 0.000 2.731 427 H HA 0.684 5.240 4.556 -0.001 0.000 0.368 427 H C 0.151 175.480 175.328 0.002 0.000 1.168 427 H CA -0.874 55.175 56.048 0.002 0.000 1.181 427 H CB 1.530 31.292 29.762 -0.000 0.000 1.743 427 H HN 0.287 nan 8.280 nan 0.000 0.547 428 L N 1.457 122.753 121.223 0.121 0.000 2.455 428 L HA 0.321 4.661 4.340 -0.001 0.000 0.272 428 L C 0.778 177.700 176.870 0.086 0.000 1.174 428 L CA 0.226 55.109 54.840 0.072 0.000 0.869 428 L CB 0.144 42.229 42.059 0.044 0.000 1.130 428 L HN 0.808 nan 8.230 nan 0.000 0.474 429 G N 4.410 113.250 108.800 0.067 0.000 2.432 429 G HA2 0.238 4.197 3.960 -0.001 0.000 0.239 429 G HA3 0.238 4.197 3.960 -0.001 0.000 0.239 429 G C -0.537 174.393 174.900 0.052 0.000 1.291 429 G CA -0.543 44.601 45.100 0.074 0.000 0.863 429 G HN 0.587 nan 8.290 nan 0.000 0.560 430 K N 0.646 121.080 120.400 0.058 0.000 2.316 430 K HA 0.489 4.809 4.320 -0.001 0.000 0.251 430 K C -1.301 175.305 176.600 0.010 0.000 0.934 430 K CA -0.961 55.348 56.287 0.036 0.000 0.802 430 K CB 2.660 35.185 32.500 0.042 0.000 1.171 430 K HN 0.320 nan 8.250 nan 0.000 0.426 431 L N 2.195 123.418 121.223 -0.000 0.000 2.372 431 L HA 0.344 4.683 4.340 -0.001 0.000 0.273 431 L C -1.409 175.461 176.870 -0.001 0.000 0.989 431 L CA -0.667 54.162 54.840 -0.018 0.000 0.841 431 L CB 1.732 43.776 42.059 -0.026 0.000 1.225 431 L HN 0.286 nan 8.230 nan 0.000 0.414 432 V N 6.796 126.710 119.914 -0.000 0.000 2.394 432 V HA 0.535 4.654 4.120 -0.001 0.000 0.282 432 V C -1.968 174.137 176.094 0.018 0.000 1.031 432 V CA -1.543 60.767 62.300 0.016 0.000 0.881 432 V CB 1.199 33.033 31.823 0.017 0.000 0.982 432 V HN 0.669 nan 8.190 nan 0.000 0.451 433 P HA 0.148 nan 4.420 nan 0.000 0.272 433 P C 0.793 178.118 177.300 0.041 0.000 1.230 433 P CA -0.442 62.676 63.100 0.031 0.000 0.788 433 P CB 0.771 32.492 31.700 0.034 0.000 0.949 434 L N 2.179 123.430 121.223 0.047 0.000 1.989 434 L HA -0.190 4.149 4.340 -0.001 0.000 0.211 434 L C 2.062 178.968 176.870 0.059 0.000 1.071 434 L CA 2.062 56.939 54.840 0.062 0.000 0.749 434 L CB -0.716 41.394 42.059 0.086 0.000 0.890 434 L HN 0.299 nan 8.230 nan 0.000 0.431 435 K N -1.126 119.310 120.400 0.060 0.000 2.288 435 K HA -0.108 4.211 4.320 -0.001 0.000 0.201 435 K C 1.862 178.500 176.600 0.063 0.000 1.048 435 K CA 0.728 57.050 56.287 0.058 0.000 0.956 435 K CB 0.087 32.621 32.500 0.057 0.000 0.746 435 K HN 0.350 nan 8.250 nan 0.000 0.461 436 E N -0.163 120.076 120.200 0.065 0.000 2.274 436 E HA -0.087 4.262 4.350 -0.001 0.000 0.194 436 E C 1.604 178.273 176.600 0.115 0.000 0.996 436 E CA 1.044 57.492 56.400 0.080 0.000 0.840 436 E CB 0.185 29.927 29.700 0.070 0.000 0.772 436 E HN 0.312 nan 8.360 nan 0.000 0.491 437 T N 0.989 115.607 114.554 0.107 0.000 2.894 437 T HA 0.037 4.387 4.350 -0.001 0.000 0.258 437 T C 2.134 176.964 174.700 0.217 0.000 1.043 437 T CA 0.480 62.674 62.100 0.157 0.000 1.141 437 T CB -0.012 68.913 68.868 0.094 0.000 0.873 437 T HN 0.079 nan 8.240 nan 0.000 0.449 438 I N 1.054 121.680 120.570 0.094 0.000 2.286 438 I HA -0.075 4.095 4.170 -0.001 0.000 0.245 438 I C 2.595 178.782 176.117 0.117 0.000 1.104 438 I CA 1.093 62.425 61.300 0.052 0.000 1.397 438 I CB -0.293 37.669 38.000 -0.063 0.000 1.072 438 I HN 0.110 nan 8.210 nan 0.000 0.417 439 K N 1.382 121.845 120.400 0.105 0.000 2.097 439 K HA -0.152 4.168 4.320 -0.001 0.000 0.206 439 K C 2.126 178.796 176.600 0.117 0.000 1.049 439 K CA 1.524 57.873 56.287 0.103 0.000 0.933 439 K CB -0.404 32.147 32.500 0.085 0.000 0.717 439 K HN 0.385 nan 8.250 nan 0.000 0.442 440 G N 0.878 109.762 108.800 0.139 0.000 2.587 440 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.217 440 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.217 440 G C 1.235 176.131 174.900 -0.006 0.000 1.240 440 G CA 1.100 46.242 45.100 0.070 0.000 0.794 440 G HN 0.307 nan 8.290 nan 0.000 0.580 441 F N 0.777 120.847 119.950 0.200 0.000 2.325 441 F HA 0.052 4.579 4.527 -0.001 0.000 0.299 441 F C 2.871 178.705 175.800 0.058 0.000 1.090 441 F CA 1.313 59.386 58.000 0.122 0.000 1.392 441 F CB -0.244 38.810 39.000 0.090 0.000 1.053 441 F HN 0.196 nan 8.300 nan 0.000 0.521 442 Q N 0.340 120.269 119.800 0.215 0.000 2.096 442 Q HA -0.264 4.076 4.340 -0.001 0.000 0.204 442 Q C 2.088 178.161 176.000 0.121 0.000 0.982 442 Q CA 1.895 57.780 55.803 0.137 0.000 0.850 442 Q CB -0.067 28.736 28.738 0.108 0.000 0.901 442 Q HN 0.493 nan 8.270 nan 0.000 0.422 443 Q N -0.206 119.679 119.800 0.142 0.000 2.083 443 Q HA -0.106 4.234 4.340 -0.001 0.000 0.198 443 Q C 2.097 178.223 176.000 0.211 0.000 0.969 443 Q CA 1.383 57.300 55.803 0.189 0.000 0.838 443 Q CB -0.006 28.940 28.738 0.348 0.000 0.900 443 Q HN 0.455 nan 8.270 nan 0.000 0.436 444 I N 0.480 121.146 120.570 0.162 0.000 2.226 444 I HA -0.278 3.892 4.170 -0.001 0.000 0.245 444 I C 2.112 178.256 176.117 0.046 0.000 1.100 444 I CA 1.026 62.368 61.300 0.069 0.000 1.374 444 I CB -0.243 37.657 38.000 -0.168 0.000 1.057 444 I HN 0.170 nan 8.210 nan 0.000 0.413 445 L N 0.654 121.919 121.223 0.070 0.000 2.046 445 L HA -0.180 4.159 4.340 -0.001 0.000 0.208 445 L C 2.817 179.715 176.870 0.046 0.000 1.077 445 L CA 1.327 56.200 54.840 0.056 0.000 0.747 445 L CB -0.594 41.508 42.059 0.070 0.000 0.896 445 L HN 0.244 nan 8.230 nan 0.000 0.432 446 A N -0.523 122.331 122.820 0.057 0.000 2.070 446 A HA -0.010 4.309 4.320 -0.001 0.000 0.220 446 A C 1.805 179.410 177.584 0.034 0.000 1.159 446 A CA 1.317 53.379 52.037 0.043 0.000 0.656 446 A CB -0.717 18.309 19.000 0.044 0.000 0.800 446 A HN 0.602 nan 8.150 nan 0.000 0.453 447 G N -1.275 107.554 108.800 0.047 0.000 2.131 447 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.223 447 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.223 447 G C 0.338 175.264 174.900 0.044 0.000 0.990 447 G CA 0.569 45.695 45.100 0.043 0.000 0.671 447 G HN 0.580 nan 8.290 nan 0.000 0.521 448 E N -1.115 119.098 120.200 0.022 0.000 2.478 448 E HA 0.073 4.422 4.350 -0.001 0.000 0.198 448 E C 0.867 177.330 176.600 -0.228 0.000 1.046 448 E CA 0.675 57.002 56.400 -0.121 0.000 0.870 448 E CB -0.018 29.551 29.700 -0.218 0.000 0.818 448 E HN 0.737 nan 8.360 nan 0.000 0.527 449 Y N -0.491 119.870 120.300 0.101 0.000 2.706 449 Y HA 0.118 4.668 4.550 -0.001 0.000 0.255 449 Y C 0.748 176.634 175.900 -0.024 0.000 1.163 449 Y CA -0.489 57.641 58.100 0.049 0.000 1.174 449 Y CB 0.643 39.192 38.460 0.149 0.000 1.200 449 Y HN -0.071 nan 8.280 nan 0.000 0.544 450 D N -0.268 120.227 120.400 0.157 0.000 2.263 450 D HA -0.178 4.461 4.640 -0.001 0.000 0.208 450 D C 2.097 178.459 176.300 0.103 0.000 0.971 450 D CA 1.388 55.448 54.000 0.101 0.000 0.867 450 D CB -0.096 40.754 40.800 0.084 0.000 0.929 450 D HN 0.591 nan 8.370 nan 0.000 0.492 451 H N -0.168 118.945 119.070 0.073 0.000 2.403 451 H HA 0.039 4.595 4.556 -0.001 0.000 0.298 451 H C 0.911 176.287 175.328 0.081 0.000 1.059 451 H CA 0.140 56.221 56.048 0.055 0.000 1.363 451 H CB -0.648 29.127 29.762 0.023 0.000 1.410 451 H HN 0.097 nan 8.280 nan 0.000 0.528 452 L N 3.862 124.830 121.223 -0.425 0.000 2.426 452 L HA 0.194 4.534 4.340 -0.001 0.000 0.271 452 L C -1.843 175.041 176.870 0.024 0.000 1.169 452 L CA -1.934 52.785 54.840 -0.201 0.000 0.836 452 L CB 0.532 42.425 42.059 -0.278 0.000 1.112 452 L HN 0.117 nan 8.230 nan 0.000 0.465 453 P HA 0.051 nan 4.420 nan 0.000 0.272 453 P C -0.003 177.397 177.300 0.167 0.000 1.240 453 P CA -0.288 62.853 63.100 0.069 0.000 0.791 453 P CB 0.778 32.497 31.700 0.033 0.000 0.978 454 E N 0.058 120.349 120.200 0.151 0.000 2.077 454 E HA -0.203 4.147 4.350 -0.001 0.000 0.193 454 E C 1.893 178.642 176.600 0.249 0.000 0.989 454 E CA 1.049 57.577 56.400 0.214 0.000 0.800 454 E CB -0.184 29.563 29.700 0.079 0.000 0.746 454 E HN 0.426 nan 8.360 nan 0.000 0.452 455 Q N -0.011 119.867 119.800 0.131 0.000 2.364 455 Q HA -0.094 4.246 4.340 -0.001 0.000 0.209 455 Q C 2.013 178.073 176.000 0.101 0.000 0.977 455 Q CA 1.055 56.930 55.803 0.120 0.000 0.885 455 Q CB -0.194 28.581 28.738 0.063 0.000 0.941 455 Q HN 0.278 nan 8.270 nan 0.000 0.464 456 A N -0.478 122.337 122.820 -0.008 0.000 1.969 456 A HA -0.095 4.224 4.320 -0.001 0.000 0.218 456 A C 1.606 179.005 177.584 -0.309 0.000 1.169 456 A CA 0.858 52.762 52.037 -0.221 0.000 0.635 456 A CB -0.497 18.238 19.000 -0.440 0.000 0.810 456 A HN 0.291 nan 8.150 nan 0.000 0.445 457 F N -2.539 117.399 119.950 -0.021 0.000 2.569 457 F HA 0.150 4.677 4.527 -0.001 0.000 0.295 457 F C 0.865 176.736 175.800 0.118 0.000 1.115 457 F CA -0.151 57.842 58.000 -0.012 0.000 1.450 457 F CB -0.250 38.720 39.000 -0.051 0.000 1.107 457 F HN 0.268 nan 8.300 nan 0.000 0.563 458 Y N 2.564 122.963 120.300 0.166 0.000 2.605 458 Y HA 0.156 4.705 4.550 -0.001 0.000 0.336 458 Y C 0.504 176.428 175.900 0.041 0.000 1.111 458 Y CA -1.075 57.087 58.100 0.103 0.000 1.422 458 Y CB -0.140 38.363 38.460 0.072 0.000 1.193 458 Y HN 0.052 nan 8.280 nan 0.000 0.526 459 M N 6.179 125.468 119.600 -0.519 0.000 3.355 459 M HA -0.160 4.320 4.480 -0.001 0.000 0.169 459 M C -1.324 174.810 176.300 -0.277 0.000 1.360 459 M CA 0.955 55.919 55.300 -0.561 0.000 0.874 459 M CB -2.310 29.697 32.600 -0.989 0.000 1.274 459 M HN 0.492 nan 8.290 nan 0.000 0.621 460 V N -1.526 118.333 119.914 -0.092 0.000 3.167 460 V HA 1.077 5.197 4.120 -0.001 0.000 0.310 460 V C 0.586 176.706 176.094 0.043 0.000 1.207 460 V CA -0.133 62.165 62.300 -0.003 0.000 1.059 460 V CB 1.630 33.481 31.823 0.047 0.000 1.079 460 V HN 0.558 nan 8.190 nan 0.000 0.446 461 G N 0.096 108.933 108.800 0.062 0.000 3.142 461 G HA2 0.463 4.423 3.960 -0.001 0.000 0.178 461 G HA3 0.463 4.423 3.960 -0.001 0.000 0.178 461 G C -2.167 172.814 174.900 0.135 0.000 1.941 461 G CA -0.262 44.877 45.100 0.065 0.000 0.902 461 G HN 0.760 nan 8.290 nan 0.000 0.517 462 P HA 0.125 nan 4.420 nan 0.000 0.274 462 P C 0.674 178.052 177.300 0.131 0.000 1.260 462 P CA -0.460 62.728 63.100 0.148 0.000 0.793 462 P CB 1.172 32.916 31.700 0.073 0.000 1.048 463 I N 0.360 120.954 120.570 0.039 0.000 2.546 463 I HA -0.199 3.970 4.170 -0.001 0.000 0.255 463 I C 1.803 177.769 176.117 -0.251 0.000 1.163 463 I CA 1.608 62.740 61.300 -0.279 0.000 1.457 463 I CB -0.687 37.091 38.000 -0.370 0.000 1.092 463 I HN 0.199 nan 8.210 nan 0.000 0.434 464 E N 0.701 120.841 120.200 -0.099 0.000 2.160 464 E HA -0.234 4.116 4.350 -0.001 0.000 0.195 464 E C 2.015 178.560 176.600 -0.091 0.000 0.991 464 E CA 1.476 57.838 56.400 -0.063 0.000 0.810 464 E CB -0.284 29.408 29.700 -0.014 0.000 0.742 464 E HN 0.592 nan 8.360 nan 0.000 0.466 465 E N 0.072 120.219 120.200 -0.088 0.000 2.208 465 E HA -0.065 4.284 4.350 -0.001 0.000 0.193 465 E C 1.993 178.496 176.600 -0.162 0.000 0.988 465 E CA 0.749 57.100 56.400 -0.081 0.000 0.828 465 E CB -0.084 29.599 29.700 -0.027 0.000 0.763 465 E HN 0.286 nan 8.360 nan 0.000 0.478 466 A N 1.105 123.751 122.820 -0.290 0.000 1.969 466 A HA -0.104 4.215 4.320 -0.001 0.000 0.218 466 A C 2.441 179.706 177.584 -0.531 0.000 1.169 466 A CA 0.918 52.635 52.037 -0.533 0.000 0.635 466 A CB -0.333 18.116 19.000 -0.919 0.000 0.810 466 A HN 0.105 nan 8.150 nan 0.000 0.445 467 V N -0.429 119.277 119.914 -0.347 0.000 2.407 467 V HA -0.121 3.999 4.120 -0.001 0.000 0.245 467 V C 2.960 178.981 176.094 -0.121 0.000 1.041 467 V CA 1.525 63.716 62.300 -0.181 0.000 1.040 467 V CB -1.369 30.438 31.823 -0.026 0.000 0.671 467 V HN 0.545 nan 8.190 nan 0.000 0.455 468 A N 0.017 122.775 122.820 -0.104 0.000 1.908 468 A HA -0.265 4.055 4.320 -0.001 0.000 0.218 468 A C 2.367 179.911 177.584 -0.066 0.000 1.181 468 A CA 2.241 54.240 52.037 -0.063 0.000 0.627 468 A CB -0.503 18.470 19.000 -0.045 0.000 0.818 468 A HN 0.476 nan 8.150 nan 0.000 0.445 469 K N -0.547 119.795 120.400 -0.096 0.000 2.211 469 K HA -0.010 4.309 4.320 -0.001 0.000 0.203 469 K C 2.147 178.700 176.600 -0.079 0.000 1.050 469 K CA 0.904 57.147 56.287 -0.073 0.000 0.945 469 K CB -0.246 32.209 32.500 -0.076 0.000 0.732 469 K HN 0.412 nan 8.250 nan 0.000 0.451 470 A N 1.661 124.404 122.820 -0.128 0.000 1.877 470 A HA -0.184 4.136 4.320 -0.001 0.000 0.216 470 A C 1.646 179.203 177.584 -0.046 0.000 1.186 470 A CA 1.857 53.833 52.037 -0.102 0.000 0.620 470 A CB -0.454 18.460 19.000 -0.144 0.000 0.822 470 A HN 0.297 nan 8.150 nan 0.000 0.443 471 D N -0.525 119.852 120.400 -0.038 0.000 2.117 471 D HA -0.137 4.502 4.640 -0.001 0.000 0.197 471 D C 1.899 178.193 176.300 -0.010 0.000 0.987 471 D CA 1.370 55.361 54.000 -0.015 0.000 0.829 471 D CB -0.197 40.596 40.800 -0.011 0.000 0.961 471 D HN 0.520 nan 8.370 nan 0.000 0.460 472 K N 0.440 120.832 120.400 -0.014 0.000 2.062 472 K HA -0.017 4.303 4.320 -0.001 0.000 0.205 472 K C 2.226 178.825 176.600 -0.001 0.000 1.051 472 K CA 0.372 56.656 56.287 -0.005 0.000 0.941 472 K CB -0.095 32.403 32.500 -0.003 0.000 0.719 472 K HN 0.099 nan 8.250 nan 0.000 0.440 473 L N 0.574 121.795 121.223 -0.004 0.000 2.362 473 L HA -0.117 4.222 4.340 -0.001 0.000 0.219 473 L C 2.205 179.077 176.870 0.003 0.000 1.134 473 L CA 0.504 55.346 54.840 0.003 0.000 0.807 473 L CB -0.301 41.759 42.059 0.001 0.000 0.927 473 L HN 0.247 nan 8.230 nan 0.000 0.447 474 A N -0.354 122.466 122.820 0.001 0.000 1.822 474 A HA -0.009 4.311 4.320 -0.001 0.000 0.214 474 A C 1.056 178.644 177.584 0.006 0.000 1.245 474 A CA 1.057 53.097 52.037 0.005 0.000 0.608 474 A CB -0.005 18.999 19.000 0.006 0.000 0.896 474 A HN 0.226 nan 8.150 nan 0.000 0.457 475 E N 0.000 120.203 120.200 0.005 0.000 2.725 475 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 475 E CA 0.000 56.403 56.400 0.004 0.000 0.976 475 E CB 0.000 29.703 29.700 0.005 0.000 0.812 475 E HN 0.000 nan 8.360 nan 0.000 0.440