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 1bmf_1_F DATA FIRST_RESID 9 DATA SEQUENCE TTGRIVAVIG AVVDVQFDEG LPPILNALEV QGRETRLVLE VAQHLGESTV DATA SEQUENCE RTIAMDGTEG LVRGQKVLDS GAPIRIPVGP ETLGRIMNVI GEPIDERGPI DATA SEQUENCE KTKQFAAIHA EAPEFVEMSV EQEILVTGIK VVDLLAPYAK GGKIGLFGGA DATA SEQUENCE GVGKTVLIME LINNVAKAHG GYSVFAGVGE RTREGNDLYH EMIESGVINL DATA SEQUENCE KDATSKVALV YGQMNEPPGA RARVALTGLT VAEYFRDQEG QDVLLFIDNI DATA SEQUENCE FRFTQAGSEV SALLGRIPSA VGYQPTLATD MGTMQERITT TKKGSITSVQ DATA SEQUENCE AIYVPADDLT DPAPATTFAH LDATTVLSRA IAELGIYPAV DPLDSTSRIM DATA SEQUENCE DPNIVGSEHY DVARGVQKIL QDYKSLQDII AILGMDELSE EDKLTVSRAR DATA SEQUENCE KIQRFLSQPF QVAEVFTGHL GKLVPLKETI KGFQQILAGE YDHLPEQAFY DATA SEQUENCE MVGPIEEAVA KADKLA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.890 174.700 0.317 0.000 1.109 9 T CA 0.000 62.227 62.100 0.212 0.000 1.349 9 T CB 0.000 69.003 68.868 0.225 0.000 0.612 10 T N 0.622 115.289 114.554 0.188 0.000 2.786 10 T HA 0.790 5.140 4.350 -0.000 0.000 0.283 10 T C 0.628 175.063 174.700 -0.442 0.000 0.992 10 T CA -0.473 61.605 62.100 -0.037 0.000 0.954 10 T CB 1.433 70.265 68.868 -0.060 0.000 0.934 10 T HN 1.175 nan 8.240 nan 0.000 0.440 11 G N 1.908 110.082 108.800 -1.044 0.000 2.705 11 G HA2 0.743 4.703 3.960 -0.000 0.000 0.299 11 G HA3 0.743 4.703 3.960 -0.000 0.000 0.299 11 G C -0.952 173.579 174.900 -0.615 0.000 1.315 11 G CA -1.226 42.980 45.100 -1.489 0.000 1.045 11 G HN 0.700 nan 8.290 nan 0.000 0.517 12 R N -0.931 119.312 120.500 -0.428 0.000 2.621 12 R HA 0.386 4.726 4.340 -0.000 0.000 0.292 12 R C -0.360 175.849 176.300 -0.151 0.000 0.969 12 R CA -0.698 55.268 56.100 -0.224 0.000 0.887 12 R CB 2.223 32.429 30.300 -0.157 0.000 1.180 12 R HN 0.393 nan 8.270 nan 0.000 0.450 13 I N 4.372 124.882 120.570 -0.101 0.000 2.581 13 I HA -0.085 4.085 4.170 -0.000 0.000 0.285 13 I C 1.619 177.708 176.117 -0.047 0.000 1.129 13 I CA 0.131 61.395 61.300 -0.059 0.000 1.397 13 I CB 0.833 38.809 38.000 -0.040 0.000 1.399 13 I HN 0.588 nan 8.210 nan 0.000 0.537 14 V N 4.135 124.028 119.914 -0.034 0.000 2.672 14 V HA 0.433 4.553 4.120 -0.000 0.000 0.242 14 V C 0.789 176.874 176.094 -0.015 0.000 1.059 14 V CA 0.731 63.016 62.300 -0.025 0.000 1.081 14 V CB 0.045 31.856 31.823 -0.019 0.000 0.752 14 V HN 0.696 nan 8.190 nan 0.000 0.472 15 A N -0.586 122.229 122.820 -0.009 0.000 2.539 15 A HA 0.842 5.162 4.320 -0.000 0.000 0.296 15 A C -1.206 176.377 177.584 -0.003 0.000 1.073 15 A CA -0.452 51.582 52.037 -0.005 0.000 0.700 15 A CB 2.344 21.344 19.000 -0.001 0.000 1.296 15 A HN 0.574 nan 8.150 nan 0.000 0.405 16 V N 1.464 121.376 119.914 -0.003 0.000 2.668 16 V HA 0.529 4.649 4.120 -0.000 0.000 0.304 16 V C -1.463 174.630 176.094 -0.002 0.000 1.071 16 V CA -0.094 62.205 62.300 -0.002 0.000 0.894 16 V CB 1.488 33.308 31.823 -0.004 0.000 1.008 16 V HN 0.684 nan 8.190 nan 0.000 0.425 17 I N 4.501 125.071 120.570 -0.001 0.000 2.540 17 I HA 0.696 4.866 4.170 -0.000 0.000 0.280 17 I C 0.775 176.890 176.117 -0.002 0.000 1.083 17 I CA 0.707 62.006 61.300 -0.002 0.000 1.080 17 I CB 1.492 39.492 38.000 -0.002 0.000 1.205 17 I HN 0.847 nan 8.210 nan 0.000 0.459 18 G N 4.630 113.428 108.800 -0.003 0.000 2.622 18 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.307 18 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.307 18 G C 0.847 175.746 174.900 -0.002 0.000 1.226 18 G CA 0.603 45.700 45.100 -0.004 0.000 0.997 18 G HN 1.057 nan 8.290 nan 0.000 0.551 19 A N -0.777 122.041 122.820 -0.004 0.000 2.337 19 A HA 0.612 4.932 4.320 -0.000 0.000 0.227 19 A C 0.613 178.198 177.584 0.002 0.000 1.259 19 A CA 1.200 53.236 52.037 -0.001 0.000 0.870 19 A CB 0.156 19.154 19.000 -0.004 0.000 0.927 19 A HN 1.347 nan 8.150 nan 0.000 0.497 20 V N 1.333 121.248 119.914 0.002 0.000 2.313 20 V HA 0.276 4.396 4.120 -0.000 0.000 0.278 20 V C -0.534 175.565 176.094 0.009 0.000 1.017 20 V CA -0.424 61.880 62.300 0.006 0.000 0.823 20 V CB 1.265 33.091 31.823 0.004 0.000 1.010 20 V HN 0.100 nan 8.190 nan 0.000 0.443 21 V N 4.140 124.063 119.914 0.015 0.000 2.370 21 V HA 0.432 4.552 4.120 -0.000 0.000 0.283 21 V C -0.414 175.695 176.094 0.025 0.000 1.023 21 V CA -0.606 61.704 62.300 0.016 0.000 0.857 21 V CB 1.851 33.684 31.823 0.017 0.000 0.985 21 V HN 0.759 nan 8.190 nan 0.000 0.443 22 D N 3.608 124.020 120.400 0.020 0.000 2.274 22 D HA 0.537 5.177 4.640 -0.000 0.000 0.239 22 D C -0.516 175.799 176.300 0.024 0.000 1.104 22 D CA 0.075 54.092 54.000 0.028 0.000 0.840 22 D CB 1.936 42.748 40.800 0.020 0.000 1.100 22 D HN 0.279 nan 8.370 nan 0.000 0.477 23 V N 2.593 122.536 119.914 0.050 0.000 2.540 23 V HA 0.369 4.489 4.120 -0.000 0.000 0.302 23 V C -0.062 176.070 176.094 0.063 0.000 1.035 23 V CA -0.970 61.347 62.300 0.028 0.000 0.873 23 V CB 1.819 33.678 31.823 0.059 0.000 0.992 23 V HN 0.400 nan 8.190 nan 0.000 0.428 24 Q N 2.801 122.578 119.800 -0.038 0.000 2.256 24 Q HA 0.646 4.986 4.340 -0.000 0.000 0.257 24 Q C -1.906 174.035 176.000 -0.099 0.000 0.936 24 Q CA -0.400 55.402 55.803 -0.002 0.000 0.903 24 Q CB 1.452 30.169 28.738 -0.034 0.000 1.263 24 Q HN 0.612 nan 8.270 nan 0.000 0.440 25 F N 1.663 121.584 119.950 -0.050 0.000 2.522 25 F HA 0.303 4.830 4.527 -0.000 0.000 0.324 25 F C 0.547 176.321 175.800 -0.043 0.000 1.077 25 F CA -0.549 57.423 58.000 -0.047 0.000 0.944 25 F CB 2.008 40.972 39.000 -0.060 0.000 1.175 25 F HN 0.663 nan 8.300 nan 0.000 0.468 26 D N 0.138 120.612 120.400 0.122 0.000 2.369 26 D HA 0.016 4.656 4.640 -0.000 0.000 0.231 26 D C -0.130 176.214 176.300 0.073 0.000 0.967 26 D CA 1.014 55.053 54.000 0.064 0.000 0.905 26 D CB 0.396 41.207 40.800 0.019 0.000 1.044 26 D HN 0.470 nan 8.370 nan 0.000 0.487 27 E N 0.356 120.616 120.200 0.100 0.000 2.191 27 E HA 0.486 4.836 4.350 -0.000 0.000 0.263 27 E C 0.071 176.714 176.600 0.072 0.000 0.881 27 E CA -0.852 55.587 56.400 0.065 0.000 0.757 27 E CB 2.136 31.864 29.700 0.047 0.000 1.147 27 E HN 0.118 nan 8.360 nan 0.000 0.414 28 G N 2.547 111.353 108.800 0.010 0.000 2.788 28 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.249 28 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.249 28 G C -0.806 173.979 174.900 -0.193 0.000 1.008 28 G CA -0.634 44.433 45.100 -0.055 0.000 1.220 28 G HN 0.319 nan 8.290 nan 0.000 0.506 29 L N 5.182 126.256 121.223 -0.247 0.000 2.290 29 L HA 0.608 4.948 4.340 -0.000 0.000 0.284 29 L C -1.206 175.409 176.870 -0.424 0.000 1.078 29 L CA -2.355 52.226 54.840 -0.433 0.000 0.815 29 L CB 0.646 42.490 42.059 -0.358 0.000 1.162 29 L HN 0.395 nan 8.230 nan 0.000 0.435 30 P HA 0.295 nan 4.420 nan 0.000 0.275 30 P C -2.743 174.530 177.300 -0.045 0.000 1.227 30 P CA -1.434 61.481 63.100 -0.308 0.000 0.781 30 P CB 0.060 31.543 31.700 -0.362 0.000 0.906 31 P HA 0.165 nan 4.420 nan 0.000 0.272 31 P C 0.311 177.640 177.300 0.049 0.000 1.230 31 P CA -0.102 63.050 63.100 0.087 0.000 0.788 31 P CB 0.403 32.101 31.700 -0.003 0.000 0.949 32 I N 2.301 122.834 120.570 -0.062 0.000 2.710 32 I HA -0.070 4.100 4.170 -0.000 0.000 0.286 32 I C 1.447 177.494 176.117 -0.118 0.000 1.181 32 I CA 0.564 61.799 61.300 -0.109 0.000 1.430 32 I CB -0.341 37.533 38.000 -0.210 0.000 1.367 32 I HN 0.439 nan 8.210 nan 0.000 0.577 33 L N 2.101 123.248 121.223 -0.126 0.000 3.558 33 L HA -0.217 4.123 4.340 -0.000 0.000 0.422 33 L C 0.238 177.053 176.870 -0.092 0.000 0.740 33 L CA 0.090 54.810 54.840 -0.201 0.000 2.578 33 L CB -1.363 40.486 42.059 -0.350 0.000 1.116 33 L HN 0.682 nan 8.230 nan 0.000 0.626 34 N N 1.337 120.008 118.700 -0.049 0.000 2.492 34 N HA 0.455 5.195 4.740 -0.000 0.000 0.260 34 N C 0.218 175.731 175.510 0.005 0.000 1.215 34 N CA 0.996 54.034 53.050 -0.020 0.000 0.923 34 N CB 1.009 39.476 38.487 -0.034 0.000 1.092 34 N HN 0.301 nan 8.380 nan 0.000 0.448 35 A N 3.253 126.085 122.820 0.020 0.000 2.289 35 A HA 0.514 4.834 4.320 -0.000 0.000 0.298 35 A C -0.308 177.297 177.584 0.035 0.000 1.208 35 A CA -0.583 51.474 52.037 0.034 0.000 0.845 35 A CB 0.039 19.061 19.000 0.036 0.000 1.125 35 A HN 0.625 nan 8.150 nan 0.000 0.517 36 L N 1.965 123.220 121.223 0.053 0.000 2.331 36 L HA 0.541 4.881 4.340 -0.000 0.000 0.275 36 L C -0.112 176.792 176.870 0.056 0.000 1.022 36 L CA -0.773 54.113 54.840 0.076 0.000 0.812 36 L CB 1.429 43.567 42.059 0.132 0.000 1.257 36 L HN 0.609 nan 8.230 nan 0.000 0.435 37 E N 2.010 122.240 120.200 0.050 0.000 2.145 37 E HA 0.322 4.672 4.350 -0.000 0.000 0.270 37 E C -0.788 175.826 176.600 0.024 0.000 0.906 37 E CA -0.665 55.752 56.400 0.028 0.000 0.761 37 E CB 2.814 32.523 29.700 0.016 0.000 1.116 37 E HN 0.221 nan 8.360 nan 0.000 0.408 38 V N 3.694 123.617 119.914 0.016 0.000 2.637 38 V HA -0.032 4.088 4.120 -0.000 0.000 0.296 38 V C 0.524 176.616 176.094 -0.004 0.000 1.046 38 V CA -0.092 62.210 62.300 0.003 0.000 1.066 38 V CB 0.927 32.751 31.823 0.002 0.000 0.968 38 V HN 0.511 nan 8.190 nan 0.000 0.483 39 Q N 2.252 122.044 119.800 -0.013 0.000 2.222 39 Q HA 0.520 4.860 4.340 -0.000 0.000 0.252 39 Q C 0.822 176.813 176.000 -0.015 0.000 0.926 39 Q CA 0.340 56.134 55.803 -0.014 0.000 0.899 39 Q CB 1.528 30.255 28.738 -0.019 0.000 1.250 39 Q HN 1.149 nan 8.270 nan 0.000 0.441 40 G N 2.063 110.856 108.800 -0.012 0.000 2.255 40 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.239 40 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.239 40 G C -0.251 174.643 174.900 -0.009 0.000 1.083 40 G CA -0.225 44.868 45.100 -0.012 0.000 0.826 40 G HN 0.396 nan 8.290 nan 0.000 0.493 41 R N -0.981 119.515 120.500 -0.007 0.000 2.686 41 R HA 0.417 4.757 4.340 -0.000 0.000 0.283 41 R C 1.008 177.306 176.300 -0.004 0.000 0.978 41 R CA -0.613 55.483 56.100 -0.005 0.000 0.897 41 R CB 1.260 31.558 30.300 -0.004 0.000 1.192 41 R HN 0.264 nan 8.270 nan 0.000 0.457 42 E N 0.245 120.443 120.200 -0.003 0.000 2.118 42 E HA -0.143 4.207 4.350 -0.000 0.000 0.195 42 E C 0.718 177.317 176.600 -0.002 0.000 0.992 42 E CA 1.582 57.980 56.400 -0.003 0.000 0.804 42 E CB 0.100 29.799 29.700 -0.002 0.000 0.741 42 E HN 0.647 nan 8.360 nan 0.000 0.458 43 T N -2.086 112.467 114.554 -0.001 0.000 2.907 43 T HA 0.403 4.753 4.350 -0.000 0.000 0.290 43 T C -0.268 174.433 174.700 0.001 0.000 1.066 43 T CA -1.131 60.969 62.100 0.000 0.000 1.012 43 T CB 1.868 70.737 68.868 0.001 0.000 1.184 43 T HN -0.092 nan 8.240 nan 0.000 0.522 44 R N 0.388 120.889 120.500 0.002 0.000 2.502 44 R HA 0.321 4.661 4.340 -0.000 0.000 0.292 44 R C -1.083 175.221 176.300 0.006 0.000 0.998 44 R CA -0.321 55.781 56.100 0.003 0.000 1.056 44 R CB -0.149 30.153 30.300 0.003 0.000 0.939 44 R HN 0.559 nan 8.270 nan 0.000 0.411 45 L N 5.870 127.098 121.223 0.007 0.000 2.388 45 L HA 0.304 4.644 4.340 -0.000 0.000 0.267 45 L C -1.319 175.561 176.870 0.016 0.000 0.995 45 L CA -0.500 54.347 54.840 0.011 0.000 0.864 45 L CB 1.758 43.822 42.059 0.009 0.000 1.216 45 L HN 0.282 nan 8.230 nan 0.000 0.430 46 V N 5.690 125.616 119.914 0.020 0.000 2.465 46 V HA 0.405 4.525 4.120 -0.000 0.000 0.279 46 V C 0.201 176.315 176.094 0.032 0.000 1.045 46 V CA -0.466 61.850 62.300 0.026 0.000 0.938 46 V CB 1.428 33.267 31.823 0.027 0.000 0.986 46 V HN 0.552 nan 8.190 nan 0.000 0.467 47 L N 4.310 125.556 121.223 0.039 0.000 2.305 47 L HA 0.547 4.887 4.340 -0.000 0.000 0.284 47 L C 0.101 177.001 176.870 0.049 0.000 1.013 47 L CA -0.265 54.601 54.840 0.044 0.000 0.819 47 L CB 1.737 43.828 42.059 0.052 0.000 1.227 47 L HN 0.706 nan 8.230 nan 0.000 0.417 48 E N 3.173 123.402 120.200 0.048 0.000 2.109 48 E HA 0.313 4.663 4.350 -0.000 0.000 0.278 48 E C -0.851 175.767 176.600 0.031 0.000 0.954 48 E CA -0.759 55.669 56.400 0.047 0.000 0.779 48 E CB 1.630 31.373 29.700 0.071 0.000 1.093 48 E HN 0.323 nan 8.360 nan 0.000 0.401 49 V N 3.980 123.907 119.914 0.023 0.000 2.694 49 V HA 0.048 4.168 4.120 -0.000 0.000 0.306 49 V C 0.964 177.057 176.094 -0.001 0.000 1.054 49 V CA 1.110 63.427 62.300 0.028 0.000 1.161 49 V CB 0.947 32.792 31.823 0.037 0.000 0.916 49 V HN 0.909 nan 8.190 nan 0.000 0.490 50 A N 3.736 126.564 122.820 0.014 0.000 2.138 50 A HA 0.360 4.680 4.320 -0.000 0.000 0.203 50 A C 0.522 178.096 177.584 -0.017 0.000 1.286 50 A CA 0.467 52.497 52.037 -0.011 0.000 0.929 50 A CB 0.377 19.377 19.000 0.000 0.000 0.975 50 A HN 0.935 nan 8.150 nan 0.000 0.480 51 Q N -1.186 118.632 119.800 0.030 0.000 2.647 51 Q HA 0.309 4.649 4.340 -0.000 0.000 0.283 51 Q C -1.835 174.263 176.000 0.163 0.000 0.943 51 Q CA -0.744 55.070 55.803 0.018 0.000 0.813 51 Q CB 0.436 29.177 28.738 0.004 0.000 1.477 51 Q HN 0.492 nan 8.270 nan 0.000 0.393 52 H N 1.555 120.617 119.070 -0.014 0.000 2.641 52 H HA 0.295 4.851 4.556 0.000 0.000 0.295 52 H C 0.462 175.789 175.328 -0.001 0.000 1.070 52 H CA -0.510 55.533 56.048 -0.009 0.000 1.257 52 H CB 1.019 30.771 29.762 -0.017 0.000 1.393 52 H HN 0.426 nan 8.280 nan 0.000 0.464 53 L N 2.977 124.270 121.223 0.116 0.000 2.622 53 L HA 0.094 4.434 4.340 -0.000 0.000 0.233 53 L C 1.256 178.158 176.870 0.052 0.000 1.156 53 L CA 0.427 55.306 54.840 0.066 0.000 0.866 53 L CB -0.386 41.700 42.059 0.046 0.000 0.980 53 L HN 0.897 nan 8.230 nan 0.000 0.448 54 G N 0.349 109.183 108.800 0.058 0.000 2.781 54 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.683 54 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.683 54 G C 0.097 175.006 174.900 0.016 0.000 1.390 54 G CA -0.271 44.849 45.100 0.034 0.000 0.850 54 G HN 0.371 nan 8.290 nan 0.000 0.557 55 E N -1.091 119.114 120.200 0.009 0.000 2.553 55 E HA -0.188 4.162 4.350 -0.000 0.000 0.264 55 E C 0.988 177.590 176.600 0.004 0.000 1.068 55 E CA 1.194 57.598 56.400 0.007 0.000 0.774 55 E CB -1.479 28.226 29.700 0.009 0.000 1.349 55 E HN 1.999 nan 8.360 nan 0.000 0.404 56 S N -1.496 114.199 115.700 -0.009 0.000 3.473 56 S HA -0.223 4.247 4.470 -0.000 0.000 0.339 56 S C 0.134 174.745 174.600 0.018 0.000 1.148 56 S CA 1.542 59.736 58.200 -0.009 0.000 0.969 56 S CB -0.817 62.395 63.200 0.020 0.000 0.936 56 S HN 0.459 nan 8.310 nan 0.000 0.530 57 T N 1.174 115.732 114.554 0.007 0.000 2.888 57 T HA 0.653 5.003 4.350 -0.000 0.000 0.284 57 T C 0.125 174.841 174.700 0.027 0.000 1.017 57 T CA -0.356 61.766 62.100 0.037 0.000 1.022 57 T CB 1.921 70.809 68.868 0.033 0.000 1.013 57 T HN 0.493 nan 8.240 nan 0.000 0.465 58 V N 0.770 120.726 119.914 0.070 0.000 2.604 58 V HA 0.754 4.874 4.120 -0.000 0.000 0.305 58 V C -0.381 175.767 176.094 0.090 0.000 1.043 58 V CA -1.346 61.005 62.300 0.084 0.000 0.888 58 V CB 1.633 33.504 31.823 0.078 0.000 0.995 58 V HN 0.886 nan 8.190 nan 0.000 0.429 59 R N 2.875 123.426 120.500 0.085 0.000 2.312 59 R HA 0.762 5.102 4.340 -0.000 0.000 0.311 59 R C -0.046 176.288 176.300 0.056 0.000 1.004 59 R CA 0.398 56.533 56.100 0.059 0.000 0.902 59 R CB 1.542 31.868 30.300 0.043 0.000 1.073 59 R HN 1.154 nan 8.270 nan 0.000 0.457 60 T N 1.229 115.811 114.554 0.048 0.000 2.907 60 T HA 0.531 4.881 4.350 -0.000 0.000 0.290 60 T C -0.152 174.566 174.700 0.030 0.000 1.066 60 T CA -0.899 61.227 62.100 0.043 0.000 1.012 60 T CB 1.141 70.043 68.868 0.058 0.000 1.184 60 T HN 0.475 nan 8.240 nan 0.000 0.522 61 I N 1.845 122.432 120.570 0.028 0.000 2.382 61 I HA 0.543 4.713 4.170 -0.000 0.000 0.285 61 I C 0.801 176.932 176.117 0.024 0.000 1.007 61 I CA -1.197 60.115 61.300 0.020 0.000 1.142 61 I CB 1.319 39.329 38.000 0.017 0.000 1.289 61 I HN 0.977 nan 8.210 nan 0.000 0.453 62 A N 7.225 130.056 122.820 0.018 0.000 2.483 62 A HA 0.288 4.608 4.320 -0.000 0.000 0.238 62 A C 0.936 178.532 177.584 0.020 0.000 1.070 62 A CA 0.054 52.102 52.037 0.019 0.000 0.770 62 A CB 0.331 19.338 19.000 0.013 0.000 1.008 62 A HN 0.767 nan 8.150 nan 0.000 0.497 63 M N 0.557 120.171 119.600 0.022 0.000 2.428 63 M HA 0.199 4.679 4.480 -0.000 0.000 0.239 63 M C -0.096 176.214 176.300 0.018 0.000 1.121 63 M CA 0.539 55.853 55.300 0.023 0.000 1.019 63 M CB -0.908 31.709 32.600 0.029 0.000 1.485 63 M HN 0.766 nan 8.290 nan 0.000 0.484 64 D N -0.945 119.464 120.400 0.014 0.000 2.643 64 D HA 0.437 5.077 4.640 -0.000 0.000 0.283 64 D C -0.523 175.781 176.300 0.008 0.000 1.242 64 D CA -0.171 53.835 54.000 0.011 0.000 0.863 64 D CB 1.650 42.457 40.800 0.011 0.000 1.382 64 D HN 0.124 nan 8.370 nan 0.000 0.444 65 G N -0.570 108.233 108.800 0.006 0.000 2.368 65 G HA2 0.240 4.200 3.960 -0.000 0.000 0.233 65 G HA3 0.240 4.200 3.960 -0.000 0.000 0.233 65 G C 0.891 175.793 174.900 0.003 0.000 1.267 65 G CA 0.732 45.834 45.100 0.003 0.000 0.873 65 G HN 0.406 nan 8.290 nan 0.000 0.539 66 T N -1.024 113.531 114.554 0.002 0.000 3.105 66 T HA 0.198 4.548 4.350 -0.000 0.000 0.253 66 T C 0.442 175.142 174.700 -0.001 0.000 1.047 66 T CA -0.168 61.932 62.100 0.001 0.000 0.944 66 T CB -0.018 68.851 68.868 0.001 0.000 1.016 66 T HN 0.585 nan 8.240 nan 0.000 0.544 67 E N 1.373 121.572 120.200 -0.001 0.000 2.413 67 E HA 0.459 4.809 4.350 -0.000 0.000 0.263 67 E C 1.440 178.038 176.600 -0.003 0.000 1.015 67 E CA 0.486 56.885 56.400 -0.002 0.000 0.916 67 E CB -0.305 29.394 29.700 -0.002 0.000 0.947 67 E HN 0.265 nan 8.360 nan 0.000 0.440 68 G N 1.632 110.430 108.800 -0.004 0.000 2.284 68 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.230 68 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.230 68 G C 0.228 175.124 174.900 -0.007 0.000 1.021 68 G CA -0.022 45.074 45.100 -0.005 0.000 0.619 68 G HN 0.418 nan 8.290 nan 0.000 0.510 69 L N 0.830 122.049 121.223 -0.007 0.000 2.492 69 L HA 0.432 4.772 4.340 -0.000 0.000 0.280 69 L C 0.616 177.479 176.870 -0.011 0.000 1.240 69 L CA 0.076 54.910 54.840 -0.009 0.000 0.831 69 L CB 0.681 42.735 42.059 -0.008 0.000 1.100 69 L HN 0.086 nan 8.230 nan 0.000 0.505 70 V N 1.492 121.397 119.914 -0.015 0.000 2.841 70 V HA 0.375 4.495 4.120 -0.000 0.000 0.310 70 V C -0.062 176.019 176.094 -0.022 0.000 1.090 70 V CA -0.970 61.320 62.300 -0.017 0.000 0.930 70 V CB 1.963 33.776 31.823 -0.017 0.000 1.014 70 V HN 0.659 nan 8.190 nan 0.000 0.425 71 R N 1.815 122.303 120.500 -0.020 0.000 2.698 71 R HA 0.412 4.752 4.340 -0.000 0.000 0.266 71 R C 1.386 177.667 176.300 -0.031 0.000 1.026 71 R CA 1.085 57.170 56.100 -0.025 0.000 1.102 71 R CB 0.094 30.382 30.300 -0.021 0.000 0.978 71 R HN 1.269 nan 8.270 nan 0.000 0.436 72 G N 0.878 109.653 108.800 -0.041 0.000 2.205 72 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.261 72 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.261 72 G C 0.212 175.078 174.900 -0.057 0.000 0.980 72 G CA 0.402 45.472 45.100 -0.050 0.000 0.632 72 G HN 0.624 nan 8.290 nan 0.000 0.533 73 Q N 1.056 120.825 119.800 -0.051 0.000 2.395 73 Q HA 0.394 4.734 4.340 -0.000 0.000 0.271 73 Q C 0.346 176.303 176.000 -0.073 0.000 1.026 73 Q CA 0.058 55.831 55.803 -0.051 0.000 0.900 73 Q CB 0.390 29.105 28.738 -0.038 0.000 1.266 73 Q HN 0.318 nan 8.270 nan 0.000 0.430 74 K N 2.264 122.622 120.400 -0.070 0.000 2.249 74 K HA 0.337 4.657 4.320 -0.000 0.000 0.280 74 K C -0.996 175.556 176.600 -0.080 0.000 1.033 74 K CA -0.408 55.823 56.287 -0.093 0.000 0.946 74 K CB 1.394 33.850 32.500 -0.073 0.000 1.005 74 K HN 0.379 nan 8.250 nan 0.000 0.469 75 V N 3.486 123.330 119.914 -0.116 0.000 2.656 75 V HA 0.345 4.465 4.120 -0.000 0.000 0.307 75 V C -0.802 175.278 176.094 -0.023 0.000 1.051 75 V CA -1.055 61.208 62.300 -0.062 0.000 0.893 75 V CB 1.914 33.705 31.823 -0.055 0.000 0.999 75 V HN 0.554 nan 8.190 nan 0.000 0.426 76 L N 3.220 124.480 121.223 0.062 0.000 2.305 76 L HA 0.560 4.900 4.340 -0.000 0.000 0.284 76 L C -0.185 176.783 176.870 0.163 0.000 1.013 76 L CA -0.137 54.771 54.840 0.113 0.000 0.819 76 L CB 1.528 43.618 42.059 0.052 0.000 1.227 76 L HN 0.717 nan 8.230 nan 0.000 0.417 77 D N 1.743 122.279 120.400 0.227 0.000 2.412 77 D HA -0.035 4.605 4.640 -0.000 0.000 0.257 77 D C 1.179 177.506 176.300 0.045 0.000 1.217 77 D CA 0.687 54.749 54.000 0.104 0.000 0.897 77 D CB 1.216 42.015 40.800 -0.002 0.000 1.132 77 D HN 0.604 nan 8.370 nan 0.000 0.493 78 S N 2.890 118.606 115.700 0.027 0.000 2.507 78 S HA 0.044 4.514 4.470 -0.000 0.000 0.235 78 S C 1.762 176.357 174.600 -0.008 0.000 0.988 78 S CA 0.754 58.957 58.200 0.006 0.000 0.944 78 S CB -0.244 62.955 63.200 -0.001 0.000 0.762 78 S HN 0.923 nan 8.310 nan 0.000 0.526 79 G N 0.357 109.148 108.800 -0.014 0.000 2.225 79 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.254 79 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.254 79 G C 0.219 175.108 174.900 -0.019 0.000 0.988 79 G CA 0.009 45.096 45.100 -0.022 0.000 0.625 79 G HN 1.560 nan 8.290 nan 0.000 0.527 80 A N -0.502 122.311 122.820 -0.012 0.000 2.533 80 A HA 0.963 5.283 4.320 -0.000 0.000 0.293 80 A C -3.057 174.534 177.584 0.011 0.000 1.228 80 A CA -0.693 51.343 52.037 -0.002 0.000 0.689 80 A CB 1.118 20.119 19.000 0.002 0.000 1.303 80 A HN 0.156 nan 8.150 nan 0.000 0.444 81 P HA 0.426 nan 4.420 nan 0.000 0.278 81 P C -0.432 176.917 177.300 0.081 0.000 1.258 81 P CA -0.427 62.715 63.100 0.071 0.000 0.811 81 P CB 0.255 32.029 31.700 0.124 0.000 1.063 82 I N 1.201 121.835 120.570 0.106 0.000 2.919 82 I HA -0.120 4.050 4.170 -0.000 0.000 0.299 82 I C 1.141 177.298 176.117 0.066 0.000 1.221 82 I CA 1.081 62.424 61.300 0.072 0.000 1.424 82 I CB -0.252 37.789 38.000 0.069 0.000 1.358 82 I HN 0.185 nan 8.210 nan 0.000 0.551 83 R N 7.068 127.601 120.500 0.055 0.000 2.637 83 R HA 0.756 5.096 4.340 -0.000 0.000 0.291 83 R C -0.710 175.684 176.300 0.156 0.000 0.963 83 R CA -0.783 55.372 56.100 0.090 0.000 0.901 83 R CB 2.212 32.553 30.300 0.070 0.000 1.160 83 R HN 0.598 nan 8.270 nan 0.000 0.457 84 I N -1.391 119.301 120.570 0.203 0.000 2.865 84 I HA 0.578 4.748 4.170 -0.000 0.000 0.302 84 I C -2.685 173.505 176.117 0.122 0.000 1.140 84 I CA -3.318 58.113 61.300 0.217 0.000 1.021 84 I CB 2.456 40.490 38.000 0.056 0.000 1.233 84 I HN 0.316 nan 8.210 nan 0.000 0.427 85 P HA 0.097 nan 4.420 nan 0.000 0.262 85 P C -0.611 176.404 177.300 -0.475 0.000 1.199 85 P CA 0.036 62.752 63.100 -0.641 0.000 0.763 85 P CB 0.523 32.009 31.700 -0.356 0.000 0.790 86 V N 1.328 120.864 119.914 -0.630 0.000 2.823 86 V HA 1.030 5.150 4.120 -0.000 0.000 0.312 86 V C 0.000 175.505 176.094 -0.982 0.000 1.072 86 V CA -0.148 61.736 62.300 -0.692 0.000 0.937 86 V CB 1.686 33.148 31.823 -0.601 0.000 1.013 86 V HN 0.880 nan 8.190 nan 0.000 0.430 87 G N 3.767 111.858 108.800 -1.183 0.000 2.369 87 G HA2 0.259 4.219 3.960 -0.000 0.000 0.295 87 G HA3 0.259 4.219 3.960 -0.000 0.000 0.295 87 G C -2.890 171.867 174.900 -0.238 0.000 1.298 87 G CA 0.077 44.612 45.100 -0.941 0.000 0.940 87 G HN 0.608 nan 8.290 nan 0.000 0.536 88 P HA 0.071 nan 4.420 nan 0.000 0.229 88 P C 1.151 178.459 177.300 0.013 0.000 1.160 88 P CA 1.217 64.402 63.100 0.142 0.000 0.777 88 P CB 0.117 31.898 31.700 0.136 0.000 0.814 89 E N -0.120 120.053 120.200 -0.044 0.000 2.511 89 E HA -0.044 4.306 4.350 -0.000 0.000 0.196 89 E C 1.140 177.710 176.600 -0.049 0.000 1.066 89 E CA 0.966 57.337 56.400 -0.049 0.000 0.871 89 E CB -1.350 28.311 29.700 -0.065 0.000 0.863 89 E HN 0.375 nan 8.360 nan 0.000 0.520 90 T N -1.828 112.700 114.554 -0.043 0.000 3.044 90 T HA 0.181 4.531 4.350 -0.000 0.000 0.250 90 T C 1.044 175.760 174.700 0.027 0.000 1.081 90 T CA -0.357 61.729 62.100 -0.023 0.000 1.040 90 T CB -0.138 68.701 68.868 -0.048 0.000 0.962 90 T HN 0.010 nan 8.240 nan 0.000 0.506 91 L N 2.202 123.434 121.223 0.016 0.000 2.534 91 L HA 0.414 4.754 4.340 -0.000 0.000 0.271 91 L C 1.586 178.463 176.870 0.011 0.000 1.178 91 L CA 1.033 55.859 54.840 -0.023 0.000 0.907 91 L CB 0.143 42.112 42.059 -0.150 0.000 1.164 91 L HN 0.606 nan 8.230 nan 0.000 0.482 92 G N 2.254 111.082 108.800 0.046 0.000 2.179 92 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.260 92 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.260 92 G C 0.252 175.218 174.900 0.109 0.000 0.977 92 G CA -0.400 44.745 45.100 0.075 0.000 0.641 92 G HN 0.459 nan 8.290 nan 0.000 0.533 93 R N -0.301 120.247 120.500 0.081 0.000 2.732 93 R HA 0.749 5.089 4.340 -0.000 0.000 0.278 93 R C 0.205 176.533 176.300 0.046 0.000 0.976 93 R CA -1.013 55.123 56.100 0.060 0.000 0.963 93 R CB 1.048 31.364 30.300 0.027 0.000 1.150 93 R HN 0.278 nan 8.270 nan 0.000 0.478 94 I N 2.877 123.437 120.570 -0.017 0.000 2.377 94 I HA 0.441 4.611 4.170 -0.000 0.000 0.293 94 I C 0.511 176.631 176.117 0.005 0.000 0.987 94 I CA -0.462 60.823 61.300 -0.025 0.000 1.185 94 I CB 1.466 39.346 38.000 -0.200 0.000 1.341 94 I HN 0.329 nan 8.210 nan 0.000 0.455 95 M N 5.187 124.818 119.600 0.052 0.000 2.631 95 M HA 0.519 4.999 4.480 -0.000 0.000 0.288 95 M C -1.409 174.926 176.300 0.057 0.000 1.260 95 M CA -0.630 54.692 55.300 0.037 0.000 0.842 95 M CB 2.356 34.969 32.600 0.022 0.000 1.743 95 M HN 0.393 nan 8.290 nan 0.000 0.461 96 N N 0.584 119.310 118.700 0.044 0.000 2.347 96 N HA 0.249 4.989 4.740 -0.000 0.000 0.253 96 N C 1.037 176.569 175.510 0.036 0.000 1.274 96 N CA -0.187 52.889 53.050 0.044 0.000 0.941 96 N CB 1.146 39.652 38.487 0.032 0.000 1.200 96 N HN 0.585 nan 8.380 nan 0.000 0.514 97 V N 0.704 120.638 119.914 0.034 0.000 2.343 97 V HA -0.194 3.926 4.120 -0.000 0.000 0.247 97 V C 1.735 177.840 176.094 0.019 0.000 1.051 97 V CA 1.636 63.950 62.300 0.022 0.000 1.036 97 V CB -0.797 31.041 31.823 0.025 0.000 0.654 97 V HN 0.753 nan 8.190 nan 0.000 0.451 98 I N -0.721 119.865 120.570 0.026 0.000 3.752 98 I HA 0.542 4.712 4.170 -0.000 0.000 0.313 98 I C 1.337 177.478 176.117 0.040 0.000 1.304 98 I CA 0.564 61.882 61.300 0.030 0.000 1.171 98 I CB -0.761 37.255 38.000 0.027 0.000 1.038 98 I HN 0.322 nan 8.210 nan 0.000 0.427 99 G N 1.222 110.046 108.800 0.039 0.000 2.168 99 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.257 99 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.257 99 G C -0.117 174.817 174.900 0.056 0.000 0.997 99 G CA 0.425 45.556 45.100 0.051 0.000 0.708 99 G HN 0.730 nan 8.290 nan 0.000 0.520 100 E N 1.279 121.504 120.200 0.041 0.000 2.266 100 E HA 0.417 4.767 4.350 -0.000 0.000 0.277 100 E C -2.288 174.327 176.600 0.024 0.000 1.018 100 E CA -2.162 54.260 56.400 0.037 0.000 0.840 100 E CB 1.363 31.078 29.700 0.026 0.000 1.082 100 E HN 0.182 nan 8.360 nan 0.000 0.395 101 P HA -0.001 nan 4.420 nan 0.000 0.269 101 P C 0.172 177.467 177.300 -0.008 0.000 1.209 101 P CA 0.413 63.515 63.100 0.004 0.000 0.776 101 P CB 0.381 32.085 31.700 0.005 0.000 0.876 102 I N -1.395 119.156 120.570 -0.031 0.000 3.597 102 I HA 0.270 4.440 4.170 -0.000 0.000 0.323 102 I C -0.065 175.994 176.117 -0.097 0.000 1.535 102 I CA -0.327 60.943 61.300 -0.050 0.000 1.028 102 I CB 0.290 38.262 38.000 -0.047 0.000 1.354 102 I HN 0.039 nan 8.210 nan 0.000 0.544 103 D N 0.283 120.630 120.400 -0.088 0.000 2.440 103 D HA 0.056 4.696 4.640 -0.000 0.000 0.216 103 D C 0.370 176.655 176.300 -0.025 0.000 1.150 103 D CA -0.258 53.674 54.000 -0.113 0.000 0.832 103 D CB -0.003 40.712 40.800 -0.142 0.000 0.992 103 D HN 0.444 nan 8.370 nan 0.000 0.502 104 E N 0.155 120.346 120.200 -0.015 0.000 2.328 104 E HA -0.256 4.094 4.350 -0.000 0.000 0.233 104 E C 0.048 176.660 176.600 0.019 0.000 1.219 104 E CA 0.285 56.688 56.400 0.006 0.000 0.717 104 E CB -0.891 28.816 29.700 0.012 0.000 1.210 104 E HN 0.394 nan 8.360 nan 0.000 0.381 105 R N -0.296 120.216 120.500 0.019 0.000 2.662 105 R HA 0.292 4.632 4.340 -0.000 0.000 0.396 105 R C 0.615 176.927 176.300 0.021 0.000 1.096 105 R CA 0.257 56.373 56.100 0.027 0.000 1.081 105 R CB 1.244 31.568 30.300 0.040 0.000 1.382 105 R HN 0.323 nan 8.270 nan 0.000 0.580 106 G N 1.906 110.716 108.800 0.017 0.000 2.728 106 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.294 106 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.294 106 G C -2.778 172.133 174.900 0.018 0.000 1.342 106 G CA -1.248 43.862 45.100 0.017 0.000 0.866 106 G HN 0.037 nan 8.290 nan 0.000 0.534 107 P HA 0.524 nan 4.420 nan 0.000 0.274 107 P C 0.000 177.314 177.300 0.023 0.000 1.231 107 P CA -0.437 62.681 63.100 0.030 0.000 0.790 107 P CB 0.539 32.262 31.700 0.038 0.000 0.951 108 I N 2.341 122.925 120.570 0.025 0.000 2.281 108 I HA 0.154 4.324 4.170 -0.000 0.000 0.293 108 I C 0.755 176.866 176.117 -0.010 0.000 1.085 108 I CA -0.052 61.244 61.300 -0.006 0.000 1.257 108 I CB -0.022 37.963 38.000 -0.025 0.000 1.430 108 I HN 0.057 nan 8.210 nan 0.000 0.489 109 K N 5.868 126.258 120.400 -0.016 0.000 2.231 109 K HA 0.274 4.594 4.320 -0.000 0.000 0.275 109 K C -0.078 176.482 176.600 -0.067 0.000 1.105 109 K CA -0.319 55.961 56.287 -0.011 0.000 0.931 109 K CB 0.612 33.117 32.500 0.009 0.000 1.296 109 K HN 0.606 nan 8.250 nan 0.000 0.446 110 T N -1.042 113.427 114.554 -0.140 0.000 2.918 110 T HA 0.313 4.663 4.350 -0.000 0.000 0.286 110 T C 0.932 175.521 174.700 -0.186 0.000 1.026 110 T CA -1.034 60.915 62.100 -0.252 0.000 1.031 110 T CB 2.034 70.586 68.868 -0.526 0.000 1.046 110 T HN 0.284 nan 8.240 nan 0.000 0.479 111 K N 0.556 120.858 120.400 -0.163 0.000 2.044 111 K HA 0.014 4.334 4.320 -0.000 0.000 0.204 111 K C 0.364 176.923 176.600 -0.069 0.000 1.049 111 K CA 1.002 57.247 56.287 -0.070 0.000 0.945 111 K CB -0.039 32.438 32.500 -0.038 0.000 0.724 111 K HN 0.592 nan 8.250 nan 0.000 0.440 112 Q N -0.479 119.203 119.800 -0.197 0.000 2.297 112 Q HA 0.469 4.809 4.340 -0.000 0.000 0.269 112 Q C -1.049 174.672 176.000 -0.465 0.000 1.051 112 Q CA -0.494 55.214 55.803 -0.159 0.000 0.869 112 Q CB 1.101 29.776 28.738 -0.104 0.000 1.346 112 Q HN -0.049 nan 8.270 nan 0.000 0.457 113 F N 0.157 120.062 119.950 -0.074 0.000 2.540 113 F HA 0.780 5.307 4.527 -0.000 0.000 0.317 113 F C -0.392 175.375 175.800 -0.055 0.000 1.104 113 F CA -0.830 57.126 58.000 -0.073 0.000 0.913 113 F CB 1.990 40.962 39.000 -0.046 0.000 1.170 113 F HN 0.630 nan 8.300 nan 0.000 0.450 114 A N 1.891 124.751 122.820 0.067 0.000 2.355 114 A HA 0.894 5.214 4.320 -0.000 0.000 0.324 114 A C -0.969 176.653 177.584 0.063 0.000 1.117 114 A CA -0.701 51.364 52.037 0.046 0.000 0.785 114 A CB 1.031 20.026 19.000 -0.009 0.000 1.254 114 A HN 0.905 nan 8.150 nan 0.000 0.453 115 A N 1.282 124.137 122.820 0.057 0.000 2.331 115 A HA 0.509 4.829 4.320 -0.000 0.000 0.283 115 A C 1.054 178.653 177.584 0.027 0.000 1.142 115 A CA -0.140 51.933 52.037 0.060 0.000 0.812 115 A CB -0.136 18.911 19.000 0.078 0.000 1.074 115 A HN 1.542 nan 8.150 nan 0.000 0.497 116 I N -0.600 119.965 120.570 -0.009 0.000 2.916 116 I HA -0.016 4.154 4.170 -0.000 0.000 0.267 116 I C -0.124 175.858 176.117 -0.224 0.000 1.263 116 I CA 0.761 61.983 61.300 -0.130 0.000 1.471 116 I CB -0.366 37.517 38.000 -0.194 0.000 1.089 116 I HN 0.478 nan 8.210 nan 0.000 0.468 117 H N 2.405 121.480 119.070 0.007 0.000 2.581 117 H HA 0.755 5.311 4.556 -0.000 0.000 0.308 117 H C -0.436 174.893 175.328 0.002 0.000 1.040 117 H CA -0.260 55.791 56.048 0.005 0.000 1.231 117 H CB 1.531 31.298 29.762 0.008 0.000 1.396 117 H HN 0.392 nan 8.280 nan 0.000 0.467 118 A N 3.412 126.286 122.820 0.089 0.000 2.485 118 A HA 0.476 4.796 4.320 -0.000 0.000 0.292 118 A C -0.218 177.391 177.584 0.043 0.000 1.147 118 A CA -0.862 51.206 52.037 0.051 0.000 0.750 118 A CB 1.982 20.994 19.000 0.019 0.000 1.331 118 A HN 0.634 nan 8.150 nan 0.000 0.419 119 E N 0.070 120.288 120.200 0.030 0.000 2.280 119 E HA 0.536 4.886 4.350 -0.000 0.000 0.264 119 E C -0.018 176.593 176.600 0.017 0.000 1.064 119 E CA -0.552 55.864 56.400 0.026 0.000 0.900 119 E CB 1.716 31.430 29.700 0.024 0.000 1.123 119 E HN 0.772 nan 8.360 nan 0.000 0.418 120 A N 2.298 125.129 122.820 0.019 0.000 2.340 120 A HA 0.378 4.698 4.320 -0.000 0.000 0.268 120 A C -2.166 175.428 177.584 0.017 0.000 1.100 120 A CA -1.255 50.789 52.037 0.012 0.000 0.803 120 A CB -0.386 18.624 19.000 0.018 0.000 1.043 120 A HN 0.300 nan 8.150 nan 0.000 0.488 121 P HA 0.049 nan 4.420 nan 0.000 0.264 121 P C -0.148 177.168 177.300 0.027 0.000 1.179 121 P CA 0.233 63.337 63.100 0.007 0.000 0.763 121 P CB 0.361 32.055 31.700 -0.009 0.000 0.806 122 E N 1.365 121.586 120.200 0.035 0.000 2.371 122 E HA 0.025 4.375 4.350 -0.000 0.000 0.257 122 E C 0.912 177.567 176.600 0.092 0.000 1.134 122 E CA -0.361 56.084 56.400 0.074 0.000 0.919 122 E CB 0.157 29.899 29.700 0.071 0.000 1.025 122 E HN 0.380 nan 8.360 nan 0.000 0.438 123 F N 2.031 121.981 119.950 -0.001 0.000 2.065 123 F HA -0.279 4.248 4.527 -0.000 0.000 0.298 123 F C 2.016 177.814 175.800 -0.002 0.000 1.112 123 F CA 2.266 60.265 58.000 -0.001 0.000 1.212 123 F CB -0.475 38.524 39.000 -0.001 0.000 0.975 123 F HN 0.293 nan 8.300 nan 0.000 0.476 124 V N -1.503 118.466 119.914 0.091 0.000 2.828 124 V HA -0.229 3.891 4.120 -0.000 0.000 0.260 124 V C 1.571 177.620 176.094 -0.075 0.000 1.101 124 V CA 2.085 64.381 62.300 -0.007 0.000 1.123 124 V CB -1.209 30.654 31.823 0.065 0.000 0.704 124 V HN 0.536 nan 8.190 nan 0.000 0.493 125 E N -0.320 119.842 120.200 -0.063 0.000 2.442 125 E HA 0.128 4.478 4.350 -0.000 0.000 0.195 125 E C 0.719 177.260 176.600 -0.098 0.000 1.030 125 E CA -0.161 56.202 56.400 -0.061 0.000 0.869 125 E CB -0.098 29.584 29.700 -0.030 0.000 0.857 125 E HN 0.457 nan 8.360 nan 0.000 0.505 126 M N 1.186 120.686 119.600 -0.166 0.000 2.219 126 M HA 0.056 4.536 4.480 -0.000 0.000 0.307 126 M C 0.512 176.719 176.300 -0.155 0.000 1.116 126 M CA 0.186 55.378 55.300 -0.179 0.000 1.181 126 M CB 0.560 32.990 32.600 -0.284 0.000 1.410 126 M HN -0.116 nan 8.290 nan 0.000 0.454 127 S N 0.364 115.994 115.700 -0.118 0.000 2.600 127 S HA 0.784 5.254 4.470 -0.000 0.000 0.300 127 S C -0.146 174.405 174.600 -0.082 0.000 1.087 127 S CA -0.502 57.645 58.200 -0.088 0.000 0.965 127 S CB 1.413 64.577 63.200 -0.061 0.000 1.089 127 S HN 0.727 nan 8.310 nan 0.000 0.496 128 V N -0.358 119.518 119.914 -0.064 0.000 3.265 128 V HA 0.542 4.662 4.120 -0.000 0.000 0.346 128 V C -0.391 175.684 176.094 -0.032 0.000 1.447 128 V CA -0.542 61.728 62.300 -0.050 0.000 1.179 128 V CB 0.099 31.890 31.823 -0.054 0.000 1.103 128 V HN 0.665 nan 8.190 nan 0.000 0.530 129 E N 2.343 122.526 120.200 -0.028 0.000 2.338 129 E HA 0.415 4.765 4.350 -0.000 0.000 0.272 129 E C -0.430 176.164 176.600 -0.010 0.000 1.029 129 E CA 0.216 56.606 56.400 -0.017 0.000 0.872 129 E CB 1.179 30.869 29.700 -0.016 0.000 1.015 129 E HN 0.617 nan 8.360 nan 0.000 0.417 130 Q N 2.335 122.133 119.800 -0.003 0.000 2.401 130 Q HA 0.303 4.643 4.340 -0.000 0.000 0.260 130 Q C -0.561 175.447 176.000 0.014 0.000 1.034 130 Q CA -0.258 55.548 55.803 0.005 0.000 0.737 130 Q CB 1.806 30.547 28.738 0.005 0.000 1.227 130 Q HN 0.428 nan 8.270 nan 0.000 0.488 131 E N 2.602 122.814 120.200 0.019 0.000 2.183 131 E HA 0.396 4.746 4.350 -0.000 0.000 0.271 131 E C -0.831 175.795 176.600 0.043 0.000 0.919 131 E CA -0.661 55.756 56.400 0.028 0.000 0.781 131 E CB 1.872 31.587 29.700 0.024 0.000 1.140 131 E HN 0.543 nan 8.360 nan 0.000 0.402 132 I N 4.427 125.028 120.570 0.052 0.000 2.634 132 I HA 0.082 4.252 4.170 -0.000 0.000 0.284 132 I C -0.897 175.265 176.117 0.074 0.000 1.124 132 I CA -0.333 61.009 61.300 0.070 0.000 1.417 132 I CB 0.508 38.557 38.000 0.081 0.000 1.396 132 I HN 0.450 nan 8.210 nan 0.000 0.571 133 L N 8.902 130.180 121.223 0.093 0.000 2.301 133 L HA 0.396 4.736 4.340 -0.000 0.000 0.278 133 L C -0.837 176.077 176.870 0.073 0.000 1.022 133 L CA -0.317 54.580 54.840 0.094 0.000 0.854 133 L CB 1.123 43.260 42.059 0.130 0.000 1.226 133 L HN 0.347 nan 8.230 nan 0.000 0.429 134 V N 4.119 124.063 119.914 0.052 0.000 2.614 134 V HA 0.233 4.353 4.120 -0.000 0.000 0.291 134 V C 1.374 177.473 176.094 0.008 0.000 1.049 134 V CA 0.595 62.908 62.300 0.022 0.000 1.038 134 V CB 1.048 32.888 31.823 0.028 0.000 0.980 134 V HN 0.923 nan 8.190 nan 0.000 0.481 135 T N -0.531 114.001 114.554 -0.038 0.000 2.971 135 T HA 0.326 4.676 4.350 -0.000 0.000 0.252 135 T C 1.328 176.004 174.700 -0.039 0.000 1.022 135 T CA 0.782 62.858 62.100 -0.039 0.000 0.980 135 T CB 0.635 69.435 68.868 -0.112 0.000 1.044 135 T HN 1.522 nan 8.240 nan 0.000 0.501 136 G N 1.800 110.582 108.800 -0.031 0.000 2.175 136 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.244 136 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.244 136 G C 0.008 174.905 174.900 -0.005 0.000 0.982 136 G CA 0.015 45.107 45.100 -0.014 0.000 0.641 136 G HN 0.599 nan 8.290 nan 0.000 0.527 137 I N 1.481 122.038 120.570 -0.020 0.000 2.312 137 I HA 0.203 4.373 4.170 -0.000 0.000 0.291 137 I C 1.613 177.736 176.117 0.009 0.000 1.031 137 I CA -0.348 60.973 61.300 0.035 0.000 1.293 137 I CB 1.092 39.106 38.000 0.023 0.000 1.403 137 I HN 0.084 nan 8.210 nan 0.000 0.484 138 K N 4.073 124.481 120.400 0.012 0.000 1.987 138 K HA -0.161 4.159 4.320 -0.000 0.000 0.216 138 K C 1.833 178.432 176.600 -0.001 0.000 1.051 138 K CA 1.611 57.902 56.287 0.006 0.000 0.942 138 K CB -0.214 32.259 32.500 -0.045 0.000 0.722 138 K HN 0.570 nan 8.250 nan 0.000 0.444 139 V N 0.855 120.762 119.914 -0.012 0.000 2.282 139 V HA -0.245 3.875 4.120 -0.000 0.000 0.249 139 V C 2.382 178.447 176.094 -0.048 0.000 1.057 139 V CA 1.747 64.021 62.300 -0.043 0.000 1.032 139 V CB -0.892 30.926 31.823 -0.008 0.000 0.645 139 V HN 0.086 nan 8.190 nan 0.000 0.447 140 V N 0.625 120.507 119.914 -0.053 0.000 2.223 140 V HA -0.255 3.865 4.120 -0.000 0.000 0.244 140 V C 2.499 178.517 176.094 -0.127 0.000 1.045 140 V CA 2.501 64.719 62.300 -0.138 0.000 1.000 140 V CB -0.787 30.854 31.823 -0.302 0.000 0.635 140 V HN 0.516 nan 8.190 nan 0.000 0.445 141 D N -0.202 120.133 120.400 -0.108 0.000 2.126 141 D HA -0.200 4.440 4.640 -0.000 0.000 0.190 141 D C 1.910 178.268 176.300 0.097 0.000 1.001 141 D CA 1.672 55.659 54.000 -0.022 0.000 0.841 141 D CB -0.461 40.326 40.800 -0.022 0.000 0.949 141 D HN 0.329 nan 8.370 nan 0.000 0.446 142 L N 0.160 121.410 121.223 0.046 0.000 1.988 142 L HA -0.086 4.254 4.340 -0.000 0.000 0.207 142 L C 2.140 179.087 176.870 0.127 0.000 1.071 142 L CA 1.609 56.507 54.840 0.097 0.000 0.744 142 L CB -0.483 41.503 42.059 -0.121 0.000 0.893 142 L HN 0.028 nan 8.230 nan 0.000 0.433 143 L N -1.079 120.133 121.223 -0.018 0.000 2.298 143 L HA 0.240 4.580 4.340 -0.000 0.000 0.209 143 L C 0.971 177.826 176.870 -0.024 0.000 1.084 143 L CA 0.580 55.390 54.840 -0.050 0.000 0.816 143 L CB -0.248 41.760 42.059 -0.084 0.000 0.967 143 L HN 0.330 nan 8.230 nan 0.000 0.460 144 A N 0.216 123.039 122.820 0.005 0.000 3.410 144 A HA 0.402 4.722 4.320 -0.000 0.000 0.276 144 A C -2.554 175.077 177.584 0.079 0.000 0.995 144 A CA -0.944 51.124 52.037 0.052 0.000 0.934 144 A CB -0.295 18.762 19.000 0.095 0.000 1.191 144 A HN -0.134 nan 8.150 nan 0.000 0.511 145 P HA -0.009 nan 4.420 nan 0.000 0.263 145 P C -0.505 176.904 177.300 0.182 0.000 1.175 145 P CA 0.736 63.860 63.100 0.039 0.000 0.761 145 P CB 0.425 32.159 31.700 0.057 0.000 0.794 146 Y N 1.369 121.693 120.300 0.041 0.000 2.286 146 Y HA 0.517 5.067 4.550 -0.000 0.000 0.347 146 Y C 1.052 176.963 175.900 0.018 0.000 1.351 146 Y CA -1.560 56.555 58.100 0.025 0.000 1.640 146 Y CB -0.055 38.416 38.460 0.019 0.000 1.560 146 Y HN 0.450 nan 8.280 nan 0.000 0.574 147 A N 0.461 123.385 122.820 0.173 0.000 2.488 147 A HA 0.469 4.789 4.320 -0.000 0.000 0.298 147 A C -0.912 176.698 177.584 0.044 0.000 1.044 147 A CA -1.159 50.930 52.037 0.087 0.000 0.693 147 A CB 0.975 20.008 19.000 0.055 0.000 1.272 147 A HN 0.644 nan 8.150 nan 0.000 0.402 148 K N 0.860 121.283 120.400 0.039 0.000 2.524 148 K HA 0.298 4.618 4.320 -0.000 0.000 0.279 148 K C 1.234 177.830 176.600 -0.006 0.000 0.993 148 K CA 1.177 57.474 56.287 0.017 0.000 1.030 148 K CB 0.226 32.741 32.500 0.026 0.000 0.891 148 K HN 1.817 nan 8.250 nan 0.000 0.488 149 G N 1.882 110.666 108.800 -0.028 0.000 2.175 149 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.265 149 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.265 149 G C 0.519 175.388 174.900 -0.052 0.000 0.979 149 G CA 0.308 45.383 45.100 -0.041 0.000 0.663 149 G HN 0.887 nan 8.290 nan 0.000 0.533 150 G N -0.880 107.888 108.800 -0.053 0.000 2.557 150 G HA2 0.577 4.537 3.960 -0.000 0.000 0.292 150 G HA3 0.577 4.537 3.960 -0.000 0.000 0.292 150 G C -0.203 174.637 174.900 -0.101 0.000 1.237 150 G CA -0.667 44.399 45.100 -0.057 0.000 0.978 150 G HN 0.345 nan 8.290 nan 0.000 0.498 151 K N 0.164 120.508 120.400 -0.093 0.000 2.316 151 K HA 0.409 4.729 4.320 -0.000 0.000 0.267 151 K C -0.727 175.780 176.600 -0.154 0.000 1.025 151 K CA -0.162 56.051 56.287 -0.123 0.000 0.896 151 K CB 1.532 33.989 32.500 -0.072 0.000 1.124 151 K HN 0.275 nan 8.250 nan 0.000 0.451 152 I N 1.105 121.518 120.570 -0.262 0.000 2.525 152 I HA 0.456 4.626 4.170 -0.000 0.000 0.301 152 I C 0.472 176.429 176.117 -0.266 0.000 0.992 152 I CA -0.663 60.420 61.300 -0.361 0.000 1.162 152 I CB 2.077 39.614 38.000 -0.772 0.000 1.332 152 I HN 0.573 nan 8.210 nan 0.000 0.458 153 G N 5.723 114.418 108.800 -0.175 0.000 2.687 153 G HA2 0.686 4.646 3.960 -0.000 0.000 0.301 153 G HA3 0.686 4.646 3.960 -0.000 0.000 0.301 153 G C -1.203 173.647 174.900 -0.083 0.000 1.416 153 G CA -0.546 44.441 45.100 -0.187 0.000 1.005 153 G HN 0.437 nan 8.290 nan 0.000 0.509 154 L N 2.055 123.197 121.223 -0.135 0.000 2.295 154 L HA 0.455 4.795 4.340 -0.000 0.000 0.281 154 L C -0.811 176.015 176.870 -0.073 0.000 1.018 154 L CA -0.653 54.199 54.840 0.020 0.000 0.841 154 L CB 0.924 43.022 42.059 0.064 0.000 1.218 154 L HN 0.319 nan 8.230 nan 0.000 0.424 155 F N 1.545 121.485 119.950 -0.018 0.000 2.410 155 F HA 0.658 5.185 4.527 0.000 0.000 0.348 155 F C 1.023 176.805 175.800 -0.029 0.000 1.106 155 F CA -0.164 57.801 58.000 -0.057 0.000 1.163 155 F CB 1.760 40.717 39.000 -0.070 0.000 1.129 155 F HN 0.441 nan 8.300 nan 0.000 0.516 156 G N 1.545 110.379 108.800 0.056 0.000 2.766 156 G HA2 0.504 4.464 3.960 -0.000 0.000 0.297 156 G HA3 0.504 4.464 3.960 -0.000 0.000 0.297 156 G C -0.539 174.282 174.900 -0.132 0.000 1.431 156 G CA -0.549 44.561 45.100 0.017 0.000 1.042 156 G HN 0.935 nan 8.290 nan 0.000 0.542 157 G N -0.041 108.674 108.800 -0.141 0.000 2.611 157 G HA2 0.653 4.613 3.960 -0.000 0.000 0.273 157 G HA3 0.653 4.613 3.960 -0.000 0.000 0.273 157 G C 0.788 175.612 174.900 -0.127 0.000 1.305 157 G CA 0.318 45.246 45.100 -0.287 0.000 1.010 157 G HN 1.556 nan 8.290 nan 0.000 0.509 158 A N -1.348 121.475 122.820 0.006 0.000 2.540 158 A HA 0.501 4.821 4.320 -0.000 0.000 0.239 158 A C 1.601 179.266 177.584 0.135 0.000 1.061 158 A CA 1.055 53.248 52.037 0.259 0.000 0.758 158 A CB -0.551 18.641 19.000 0.319 0.000 0.991 158 A HN 2.573 nan 8.150 nan 0.000 0.502 159 G N 1.110 109.991 108.800 0.134 0.000 2.305 159 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.287 159 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.287 159 G C 0.486 175.435 174.900 0.082 0.000 1.036 159 G CA 0.452 45.604 45.100 0.086 0.000 0.887 159 G HN 1.316 nan 8.290 nan 0.000 0.505 160 V N -1.283 118.690 119.914 0.098 0.000 3.307 160 V HA 0.531 4.651 4.120 -0.000 0.000 0.253 160 V C 2.097 178.287 176.094 0.161 0.000 1.149 160 V CA 1.537 63.908 62.300 0.119 0.000 1.112 160 V CB 0.408 32.280 31.823 0.081 0.000 0.777 160 V HN 1.750 nan 8.190 nan 0.000 0.464 161 G N -0.004 108.876 108.800 0.133 0.000 2.507 161 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.205 161 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.205 161 G C 0.730 175.725 174.900 0.159 0.000 0.996 161 G CA 0.170 45.361 45.100 0.151 0.000 0.776 161 G HN 0.353 nan 8.290 nan 0.000 0.532 162 K N 0.259 120.742 120.400 0.138 0.000 2.009 162 K HA -0.069 4.251 4.320 -0.000 0.000 0.210 162 K C 2.463 179.149 176.600 0.142 0.000 1.049 162 K CA 2.010 58.378 56.287 0.134 0.000 0.929 162 K CB -0.374 32.195 32.500 0.116 0.000 0.714 162 K HN 0.235 nan 8.250 nan 0.000 0.440 163 T N 1.126 115.762 114.554 0.137 0.000 2.777 163 T HA -0.085 4.265 4.350 -0.000 0.000 0.266 163 T C 2.076 176.854 174.700 0.130 0.000 1.040 163 T CA 1.051 63.236 62.100 0.141 0.000 1.141 163 T CB -0.166 68.782 68.868 0.133 0.000 0.868 163 T HN -0.050 nan 8.240 nan 0.000 0.444 164 V N 1.506 121.500 119.914 0.133 0.000 2.407 164 V HA -0.103 4.017 4.120 -0.000 0.000 0.248 164 V C 2.367 178.568 176.094 0.178 0.000 1.055 164 V CA 1.223 63.617 62.300 0.156 0.000 1.049 164 V CB -0.572 31.349 31.823 0.163 0.000 0.662 164 V HN 0.326 nan 8.190 nan 0.000 0.455 165 L N -0.421 120.930 121.223 0.213 0.000 2.093 165 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 165 L C 2.097 179.022 176.870 0.092 0.000 1.085 165 L CA 1.738 56.686 54.840 0.180 0.000 0.755 165 L CB -0.476 41.735 42.059 0.254 0.000 0.904 165 L HN 0.198 nan 8.230 nan 0.000 0.435 166 I N -1.273 119.372 120.570 0.124 0.000 2.226 166 I HA -0.305 3.865 4.170 -0.000 0.000 0.245 166 I C 2.258 178.373 176.117 -0.002 0.000 1.100 166 I CA 0.959 62.335 61.300 0.126 0.000 1.374 166 I CB -0.117 37.996 38.000 0.188 0.000 1.057 166 I HN 0.305 nan 8.210 nan 0.000 0.413 167 M N -0.191 119.407 119.600 -0.003 0.000 2.067 167 M HA -0.239 4.241 4.480 -0.000 0.000 0.260 167 M C 2.222 178.457 176.300 -0.108 0.000 1.069 167 M CA 1.730 56.992 55.300 -0.063 0.000 1.117 167 M CB -1.420 31.175 32.600 -0.009 0.000 1.334 167 M HN 0.110 nan 8.290 nan 0.000 0.407 168 E N 0.727 120.841 120.200 -0.144 0.000 2.118 168 E HA -0.139 4.210 4.350 -0.000 0.000 0.195 168 E C 2.049 178.521 176.600 -0.214 0.000 0.992 168 E CA 1.253 57.480 56.400 -0.288 0.000 0.804 168 E CB -0.319 28.915 29.700 -0.776 0.000 0.741 168 E HN 0.481 nan 8.360 nan 0.000 0.458 169 L N -0.175 120.975 121.223 -0.121 0.000 2.093 169 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 169 L C 2.437 179.315 176.870 0.014 0.000 1.085 169 L CA 0.852 55.702 54.840 0.016 0.000 0.755 169 L CB -0.307 41.871 42.059 0.198 0.000 0.904 169 L HN 0.218 nan 8.230 nan 0.000 0.435 170 I N 0.023 120.501 120.570 -0.154 0.000 2.208 170 I HA -0.346 3.824 4.170 -0.000 0.000 0.245 170 I C 2.296 178.352 176.117 -0.103 0.000 1.097 170 I CA 1.702 62.830 61.300 -0.287 0.000 1.363 170 I CB -0.279 37.436 38.000 -0.474 0.000 1.051 170 I HN 0.384 nan 8.210 nan 0.000 0.413 171 N N 1.088 119.730 118.700 -0.096 0.000 2.028 171 N HA -0.206 4.534 4.740 -0.000 0.000 0.194 171 N C 1.579 177.071 175.510 -0.029 0.000 1.050 171 N CA 1.805 54.820 53.050 -0.059 0.000 0.848 171 N CB -0.052 38.393 38.487 -0.070 0.000 1.038 171 N HN 0.128 nan 8.380 nan 0.000 0.423 172 N N -0.923 117.754 118.700 -0.038 0.000 2.364 172 N HA -0.058 4.682 4.740 -0.000 0.000 0.183 172 N C 1.008 176.535 175.510 0.028 0.000 1.022 172 N CA 0.690 53.730 53.050 -0.016 0.000 0.883 172 N CB 0.174 38.633 38.487 -0.047 0.000 0.965 172 N HN 0.181 nan 8.380 nan 0.000 0.438 173 V N -0.809 119.142 119.914 0.061 0.000 3.054 173 V HA 0.258 4.378 4.120 -0.000 0.000 0.227 173 V C 1.956 178.128 176.094 0.131 0.000 1.252 173 V CA 0.784 63.146 62.300 0.104 0.000 1.279 173 V CB -0.618 31.289 31.823 0.140 0.000 1.118 173 V HN 0.134 nan 8.190 nan 0.000 0.504 174 A N 0.241 123.153 122.820 0.154 0.000 1.908 174 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 174 A C 2.146 179.816 177.584 0.144 0.000 1.181 174 A CA 2.104 54.244 52.037 0.172 0.000 0.627 174 A CB -0.493 18.601 19.000 0.156 0.000 0.818 174 A HN 0.474 nan 8.150 nan 0.000 0.445 175 K N -0.604 119.843 120.400 0.078 0.000 2.074 175 K HA -0.117 4.203 4.320 -0.000 0.000 0.209 175 K C 1.161 177.803 176.600 0.071 0.000 1.048 175 K CA 1.301 57.623 56.287 0.058 0.000 0.926 175 K CB -0.275 32.238 32.500 0.022 0.000 0.713 175 K HN 0.426 nan 8.250 nan 0.000 0.444 176 A N 1.578 124.448 122.820 0.083 0.000 3.264 176 A HA 0.085 4.405 4.320 -0.000 0.000 0.299 176 A C -0.836 176.814 177.584 0.110 0.000 1.272 176 A CA -0.384 51.695 52.037 0.070 0.000 1.030 176 A CB -0.460 18.567 19.000 0.046 0.000 1.102 176 A HN 0.290 nan 8.150 nan 0.000 0.615 177 H N -0.314 118.769 119.070 0.022 0.000 2.481 177 H HA 0.573 5.129 4.556 -0.000 0.000 0.333 177 H C 0.411 175.728 175.328 -0.018 0.000 1.066 177 H CA 0.090 56.146 56.048 0.013 0.000 1.209 177 H CB 1.339 31.126 29.762 0.041 0.000 1.445 177 H HN 0.248 nan 8.280 nan 0.000 0.488 178 G N 3.029 111.538 108.800 -0.485 0.000 2.338 178 G HA2 0.526 4.486 3.960 -0.000 0.000 0.295 178 G HA3 0.526 4.486 3.960 -0.000 0.000 0.295 178 G C -0.115 174.283 174.900 -0.838 0.000 1.132 178 G CA 0.259 45.081 45.100 -0.463 0.000 0.922 178 G HN 1.054 nan 8.290 nan 0.000 0.427 179 G N 1.199 109.606 108.800 -0.655 0.000 2.354 179 G HA2 0.196 4.156 3.960 -0.000 0.000 0.582 179 G HA3 0.196 4.156 3.960 -0.000 0.000 0.582 179 G C -1.106 173.600 174.900 -0.322 0.000 1.316 179 G CA -1.058 43.646 45.100 -0.659 0.000 0.995 179 G HN 0.553 nan 8.290 nan 0.000 0.573 180 Y N -0.035 120.255 120.300 -0.016 0.000 2.480 180 Y HA 0.830 5.380 4.550 -0.000 0.000 0.323 180 Y C 1.104 177.062 175.900 0.097 0.000 1.267 180 Y CA -0.853 57.207 58.100 -0.067 0.000 1.336 180 Y CB 1.758 39.923 38.460 -0.492 0.000 1.361 180 Y HN 0.618 nan 8.280 nan 0.000 0.518 181 S N -0.245 115.613 115.700 0.262 0.000 2.546 181 S HA 0.742 5.212 4.470 -0.000 0.000 0.274 181 S C -1.578 173.159 174.600 0.227 0.000 1.121 181 S CA -0.789 57.552 58.200 0.235 0.000 0.887 181 S CB 2.049 65.422 63.200 0.288 0.000 1.094 181 S HN 0.272 nan 8.310 nan 0.000 0.474 182 V N 2.797 122.850 119.914 0.231 0.000 2.569 182 V HA 0.498 4.618 4.120 -0.000 0.000 0.301 182 V C -1.370 174.860 176.094 0.226 0.000 1.044 182 V CA -0.615 61.808 62.300 0.205 0.000 0.874 182 V CB 1.352 33.265 31.823 0.149 0.000 1.002 182 V HN 0.848 nan 8.190 nan 0.000 0.424 183 F N 4.350 124.353 119.950 0.087 0.000 2.411 183 F HA 0.799 5.326 4.527 -0.000 0.000 0.352 183 F C 0.299 176.019 175.800 -0.134 0.000 1.123 183 F CA -0.536 57.489 58.000 0.043 0.000 1.044 183 F CB 1.270 40.282 39.000 0.019 0.000 1.135 183 F HN 0.566 nan 8.300 nan 0.000 0.461 184 A N 4.720 127.224 122.820 -0.525 0.000 2.285 184 A HA 0.636 4.956 4.320 -0.000 0.000 0.310 184 A C -0.078 177.195 177.584 -0.519 0.000 1.266 184 A CA -0.364 51.430 52.037 -0.404 0.000 0.832 184 A CB 0.250 19.082 19.000 -0.280 0.000 1.163 184 A HN 1.020 nan 8.150 nan 0.000 0.499 185 G N 1.482 109.992 108.800 -0.484 0.000 2.350 185 G HA2 0.505 4.465 3.960 -0.000 0.000 0.306 185 G HA3 0.505 4.465 3.960 -0.000 0.000 0.306 185 G C -0.544 174.337 174.900 -0.032 0.000 1.094 185 G CA -0.174 44.838 45.100 -0.146 0.000 0.953 185 G HN 0.754 nan 8.290 nan 0.000 0.420 186 V N 2.501 122.411 119.914 -0.006 0.000 2.384 186 V HA 0.629 4.749 4.120 -0.000 0.000 0.287 186 V C 1.217 177.352 176.094 0.068 0.000 1.020 186 V CA 0.205 62.520 62.300 0.026 0.000 0.850 186 V CB 0.928 32.751 31.823 0.000 0.000 0.987 186 V HN 1.313 nan 8.190 nan 0.000 0.436 187 G N 3.096 111.942 108.800 0.075 0.000 2.269 187 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.277 187 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.277 187 G C 0.270 175.214 174.900 0.072 0.000 1.008 187 G CA 0.727 45.865 45.100 0.063 0.000 0.774 187 G HN 0.641 nan 8.290 nan 0.000 0.511 188 E N -0.661 119.607 120.200 0.113 0.000 3.232 188 E HA 0.455 4.805 4.350 -0.000 0.000 0.248 188 E C 0.905 177.568 176.600 0.105 0.000 1.048 188 E CA -0.867 55.600 56.400 0.112 0.000 1.204 188 E CB 0.547 30.337 29.700 0.151 0.000 1.535 188 E HN 0.398 nan 8.360 nan 0.000 0.567 189 R N 0.101 120.661 120.500 0.101 0.000 2.390 189 R HA 0.208 4.548 4.340 -0.000 0.000 0.291 189 R C 1.277 177.612 176.300 0.059 0.000 1.070 189 R CA 0.037 56.178 56.100 0.068 0.000 1.014 189 R CB 0.393 30.727 30.300 0.057 0.000 1.007 189 R HN 0.396 nan 8.270 nan 0.000 0.466 190 T N 2.263 116.830 114.554 0.020 0.000 2.746 190 T HA -0.186 4.164 4.350 -0.000 0.000 0.267 190 T C 1.769 176.437 174.700 -0.053 0.000 1.039 190 T CA 1.597 63.675 62.100 -0.036 0.000 1.142 190 T CB -0.153 68.692 68.868 -0.037 0.000 0.866 190 T HN 0.628 nan 8.240 nan 0.000 0.444 191 R N 1.611 122.104 120.500 -0.012 0.000 2.139 191 R HA -0.134 4.206 4.340 -0.000 0.000 0.243 191 R C 1.941 178.242 176.300 0.003 0.000 1.145 191 R CA 1.819 57.918 56.100 -0.002 0.000 0.976 191 R CB -0.297 30.012 30.300 0.015 0.000 0.866 191 R HN 0.439 nan 8.270 nan 0.000 0.449 192 E N -0.078 120.132 120.200 0.017 0.000 2.072 192 E HA -0.071 4.279 4.350 -0.000 0.000 0.190 192 E C 2.037 178.633 176.600 -0.007 0.000 0.982 192 E CA 1.017 57.439 56.400 0.036 0.000 0.803 192 E CB -0.177 29.577 29.700 0.090 0.000 0.755 192 E HN 0.641 nan 8.360 nan 0.000 0.453 193 G N 1.212 109.959 108.800 -0.089 0.000 2.446 193 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.217 193 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.217 193 G C 1.409 176.175 174.900 -0.225 0.000 1.168 193 G CA 1.196 46.066 45.100 -0.383 0.000 0.771 193 G HN 0.230 nan 8.290 nan 0.000 0.551 194 N N 0.445 119.067 118.700 -0.129 0.000 2.188 194 N HA -0.097 4.643 4.740 -0.000 0.000 0.184 194 N C 1.705 177.310 175.510 0.157 0.000 1.018 194 N CA 1.513 54.595 53.050 0.053 0.000 0.858 194 N CB -0.124 38.402 38.487 0.065 0.000 0.989 194 N HN 0.113 nan 8.380 nan 0.000 0.426 195 D N -0.060 120.381 120.400 0.069 0.000 2.144 195 D HA -0.136 4.504 4.640 -0.000 0.000 0.199 195 D C 1.859 178.185 176.300 0.044 0.000 0.984 195 D CA 0.610 54.648 54.000 0.063 0.000 0.834 195 D CB -0.252 40.567 40.800 0.031 0.000 0.955 195 D HN 0.291 nan 8.370 nan 0.000 0.465 196 L N -0.205 121.014 121.223 -0.006 0.000 2.023 196 L HA -0.140 4.200 4.340 -0.000 0.000 0.205 196 L C 2.268 179.128 176.870 -0.017 0.000 1.073 196 L CA 1.336 56.134 54.840 -0.069 0.000 0.745 196 L CB -0.793 41.142 42.059 -0.207 0.000 0.900 196 L HN -0.030 nan 8.230 nan 0.000 0.435 197 Y N 0.375 120.589 120.300 -0.143 0.000 2.053 197 Y HA -0.366 4.184 4.550 -0.000 0.000 0.277 197 Y C 2.659 178.436 175.900 -0.205 0.000 1.159 197 Y CA 2.420 60.405 58.100 -0.191 0.000 1.125 197 Y CB -0.919 37.362 38.460 -0.298 0.000 0.969 197 Y HN 0.442 nan 8.280 nan 0.000 0.492 198 H N -0.738 118.255 119.070 -0.129 0.000 2.421 198 H HA -0.116 4.440 4.556 -0.000 0.000 0.298 198 H C 2.271 177.502 175.328 -0.161 0.000 1.087 198 H CA 1.582 57.500 56.048 -0.217 0.000 1.330 198 H CB -0.059 29.648 29.762 -0.092 0.000 1.388 198 H HN 0.519 nan 8.280 nan 0.000 0.526 199 E N 0.102 120.300 120.200 -0.003 0.000 2.107 199 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 199 E C 1.948 178.509 176.600 -0.065 0.000 0.982 199 E CA 0.733 57.115 56.400 -0.030 0.000 0.809 199 E CB 0.056 29.738 29.700 -0.030 0.000 0.756 199 E HN 0.299 nan 8.360 nan 0.000 0.459 200 M N 0.363 119.908 119.600 -0.092 0.000 2.175 200 M HA -0.072 4.408 4.480 -0.000 0.000 0.264 200 M C 1.859 178.093 176.300 -0.109 0.000 1.063 200 M CA 1.168 56.416 55.300 -0.087 0.000 1.119 200 M CB -0.029 32.529 32.600 -0.071 0.000 1.377 200 M HN 0.157 nan 8.290 nan 0.000 0.415 201 I N -0.484 119.970 120.570 -0.193 0.000 2.142 201 I HA -0.325 3.845 4.170 -0.000 0.000 0.240 201 I C 2.350 178.405 176.117 -0.103 0.000 1.078 201 I CA 1.682 62.865 61.300 -0.194 0.000 1.343 201 I CB -0.359 37.456 38.000 -0.308 0.000 1.046 201 I HN 0.371 nan 8.210 nan 0.000 0.405 202 E N 0.408 120.560 120.200 -0.080 0.000 2.097 202 E HA -0.266 4.084 4.350 -0.000 0.000 0.196 202 E C 1.975 178.552 176.600 -0.039 0.000 1.000 202 E CA 1.771 58.142 56.400 -0.048 0.000 0.804 202 E CB 0.004 29.683 29.700 -0.035 0.000 0.740 202 E HN 0.514 nan 8.360 nan 0.000 0.454 203 S N -1.323 114.354 115.700 -0.039 0.000 2.593 203 S HA 0.176 4.646 4.470 -0.000 0.000 0.217 203 S C 1.346 175.932 174.600 -0.023 0.000 0.966 203 S CA 0.407 58.591 58.200 -0.027 0.000 0.914 203 S CB 0.512 63.696 63.200 -0.026 0.000 0.776 203 S HN 0.474 nan 8.310 nan 0.000 0.523 204 G N 0.972 109.753 108.800 -0.032 0.000 2.160 204 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.251 204 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.251 204 G C 0.722 175.613 174.900 -0.015 0.000 1.008 204 G CA 0.576 45.661 45.100 -0.025 0.000 0.724 204 G HN 1.440 nan 8.290 nan 0.000 0.514 205 V N -2.592 117.313 119.914 -0.015 0.000 2.951 205 V HA 0.433 4.553 4.120 -0.000 0.000 0.255 205 V C 1.104 177.202 176.094 0.008 0.000 1.088 205 V CA 0.764 63.069 62.300 0.009 0.000 1.109 205 V CB -0.029 31.808 31.823 0.023 0.000 0.724 205 V HN 0.344 nan 8.190 nan 0.000 0.471 206 I N 2.956 123.513 120.570 -0.021 0.000 2.362 206 I HA 0.514 4.684 4.170 -0.000 0.000 0.289 206 I C -0.782 175.308 176.117 -0.045 0.000 0.994 206 I CA -0.055 61.229 61.300 -0.026 0.000 1.158 206 I CB 1.113 39.071 38.000 -0.069 0.000 1.315 206 I HN 0.287 nan 8.210 nan 0.000 0.451 207 N N 6.855 125.542 118.700 -0.021 0.000 2.442 207 N HA 0.361 5.101 4.740 -0.000 0.000 0.274 207 N C -0.008 175.494 175.510 -0.013 0.000 1.002 207 N CA -0.443 52.594 53.050 -0.021 0.000 0.910 207 N CB 1.599 40.081 38.487 -0.008 0.000 1.244 207 N HN 0.479 nan 8.380 nan 0.000 0.492 208 L N 2.478 123.688 121.223 -0.022 0.000 2.591 208 L HA 0.213 4.553 4.340 -0.000 0.000 0.228 208 L C 1.741 178.612 176.870 0.002 0.000 1.133 208 L CA 0.291 55.128 54.840 -0.005 0.000 0.880 208 L CB 0.030 42.083 42.059 -0.009 0.000 1.033 208 L HN 0.343 nan 8.230 nan 0.000 0.450 209 K N -0.453 119.946 120.400 -0.002 0.000 2.225 209 K HA 0.206 4.526 4.320 -0.000 0.000 0.204 209 K C 0.217 176.820 176.600 0.005 0.000 1.047 209 K CA 0.567 56.855 56.287 0.001 0.000 0.970 209 K CB 0.359 32.858 32.500 -0.002 0.000 0.939 209 K HN 0.161 nan 8.250 nan 0.000 0.472 210 D N -0.068 120.335 120.400 0.005 0.000 2.494 210 D HA 0.323 4.963 4.640 -0.000 0.000 0.259 210 D C -0.615 175.692 176.300 0.011 0.000 1.109 210 D CA -0.607 53.398 54.000 0.008 0.000 1.040 210 D CB 0.941 41.746 40.800 0.009 0.000 1.175 210 D HN -0.032 nan 8.370 nan 0.000 0.584 211 A N 0.165 122.993 122.820 0.014 0.000 3.095 211 A HA 0.433 4.753 4.320 -0.000 0.000 0.301 211 A C 0.509 178.107 177.584 0.025 0.000 1.432 211 A CA -0.372 51.675 52.037 0.018 0.000 1.140 211 A CB -0.747 18.265 19.000 0.020 0.000 1.174 211 A HN 0.506 nan 8.150 nan 0.000 0.546 212 T N -3.137 111.430 114.554 0.023 0.000 3.192 212 T HA 0.208 4.558 4.350 -0.000 0.000 0.295 212 T C 0.398 175.119 174.700 0.035 0.000 0.947 212 T CA 0.102 62.220 62.100 0.031 0.000 0.916 212 T CB -0.239 68.641 68.868 0.020 0.000 1.169 212 T HN 0.244 nan 8.240 nan 0.000 0.540 213 S N 1.885 117.600 115.700 0.024 0.000 2.562 213 S HA 0.331 4.801 4.470 -0.000 0.000 0.281 213 S C 0.692 175.314 174.600 0.037 0.000 1.333 213 S CA -0.444 57.771 58.200 0.024 0.000 1.052 213 S CB 1.201 64.410 63.200 0.015 0.000 0.884 213 S HN 0.360 nan 8.310 nan 0.000 0.506 214 K N 1.086 121.526 120.400 0.066 0.000 2.387 214 K HA 0.272 4.592 4.320 -0.000 0.000 0.203 214 K C -0.900 175.765 176.600 0.108 0.000 1.030 214 K CA 0.094 56.461 56.287 0.133 0.000 1.099 214 K CB 0.709 33.303 32.500 0.157 0.000 0.863 214 K HN 0.372 nan 8.250 nan 0.000 0.529 215 V N 0.878 120.831 119.914 0.065 0.000 2.588 215 V HA 0.634 4.754 4.120 -0.000 0.000 0.304 215 V C -0.719 175.428 176.094 0.088 0.000 1.042 215 V CA -1.376 60.982 62.300 0.096 0.000 0.877 215 V CB 1.645 33.536 31.823 0.113 0.000 0.996 215 V HN 0.060 nan 8.190 nan 0.000 0.425 216 A N 5.465 128.357 122.820 0.120 0.000 2.317 216 A HA 0.918 5.238 4.320 -0.000 0.000 0.327 216 A C -0.829 176.842 177.584 0.145 0.000 1.178 216 A CA -0.543 51.569 52.037 0.125 0.000 0.817 216 A CB 0.817 19.911 19.000 0.157 0.000 1.189 216 A HN 0.817 nan 8.150 nan 0.000 0.489 217 L N 2.680 123.986 121.223 0.138 0.000 2.322 217 L HA 0.656 4.996 4.340 -0.000 0.000 0.281 217 L C -0.898 176.036 176.870 0.107 0.000 1.014 217 L CA -0.916 54.021 54.840 0.162 0.000 0.815 217 L CB 1.779 43.998 42.059 0.267 0.000 1.247 217 L HN 0.413 nan 8.230 nan 0.000 0.421 218 V N 2.733 122.639 119.914 -0.013 0.000 2.656 218 V HA 0.527 4.647 4.120 -0.000 0.000 0.307 218 V C -1.257 174.731 176.094 -0.177 0.000 1.051 218 V CA -0.673 61.611 62.300 -0.025 0.000 0.893 218 V CB 2.063 33.858 31.823 -0.046 0.000 0.999 218 V HN 0.466 nan 8.190 nan 0.000 0.426 219 Y N 1.078 121.404 120.300 0.042 0.000 2.504 219 Y HA 0.742 5.292 4.550 -0.000 0.000 0.344 219 Y C 0.448 176.365 175.900 0.028 0.000 1.023 219 Y CA -0.637 57.493 58.100 0.050 0.000 1.020 219 Y CB 2.892 41.373 38.460 0.034 0.000 1.282 219 Y HN 0.717 nan 8.280 nan 0.000 0.454 220 G N 3.232 112.149 108.800 0.194 0.000 3.582 220 G HA2 0.276 4.236 3.960 -0.000 0.000 0.302 220 G HA3 0.276 4.236 3.960 -0.000 0.000 0.302 220 G C -1.033 173.939 174.900 0.120 0.000 1.418 220 G CA -0.580 44.590 45.100 0.117 0.000 0.718 220 G HN 0.277 nan 8.290 nan 0.000 0.479 221 Q N 0.755 120.638 119.800 0.138 0.000 2.397 221 Q HA 0.300 4.640 4.340 -0.000 0.000 0.193 221 Q C 1.903 177.943 176.000 0.066 0.000 1.083 221 Q CA -0.674 55.199 55.803 0.117 0.000 1.108 221 Q CB 0.649 29.457 28.738 0.118 0.000 1.172 221 Q HN 0.475 nan 8.270 nan 0.000 0.617 222 M N 0.848 120.481 119.600 0.055 0.000 2.426 222 M HA -0.224 4.256 4.480 -0.000 0.000 0.261 222 M C 1.186 177.498 176.300 0.021 0.000 1.068 222 M CA 1.636 56.954 55.300 0.031 0.000 1.066 222 M CB -0.442 32.173 32.600 0.025 0.000 1.399 222 M HN 0.598 nan 8.290 nan 0.000 0.449 223 N N -1.069 117.645 118.700 0.023 0.000 2.299 223 N HA 0.031 4.771 4.740 -0.000 0.000 0.187 223 N C -0.132 175.386 175.510 0.014 0.000 1.099 223 N CA -0.235 52.823 53.050 0.015 0.000 0.867 223 N CB 0.224 38.718 38.487 0.011 0.000 0.974 223 N HN 0.151 nan 8.380 nan 0.000 0.477 224 E N 1.814 122.026 120.200 0.020 0.000 2.349 224 E HA 0.256 4.606 4.350 -0.000 0.000 0.262 224 E C -2.247 174.358 176.600 0.009 0.000 1.088 224 E CA -1.987 54.423 56.400 0.017 0.000 0.899 224 E CB 0.320 30.035 29.700 0.026 0.000 1.044 224 E HN 0.143 nan 8.360 nan 0.000 0.420 225 P HA 0.057 nan 4.420 nan 0.000 0.272 225 P C -1.891 175.406 177.300 -0.005 0.000 1.230 225 P CA -1.125 61.975 63.100 -0.000 0.000 0.788 225 P CB -0.089 31.612 31.700 0.001 0.000 0.949 226 P HA -0.264 nan 4.420 nan 0.000 0.217 226 P C 1.609 178.891 177.300 -0.029 0.000 1.162 226 P CA 2.367 65.449 63.100 -0.030 0.000 0.901 226 P CB -0.802 30.875 31.700 -0.039 0.000 0.793 227 G N 0.054 108.843 108.800 -0.017 0.000 2.469 227 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.220 227 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.220 227 G C 1.820 176.724 174.900 0.007 0.000 1.136 227 G CA 1.278 46.374 45.100 -0.007 0.000 0.759 227 G HN 0.439 nan 8.290 nan 0.000 0.562 228 A N 0.463 123.289 122.820 0.011 0.000 1.898 228 A HA 0.083 4.403 4.320 -0.000 0.000 0.216 228 A C 2.410 180.010 177.584 0.027 0.000 1.181 228 A CA 1.513 53.563 52.037 0.022 0.000 0.620 228 A CB -0.346 18.668 19.000 0.024 0.000 0.819 228 A HN 0.330 nan 8.150 nan 0.000 0.442 229 R N -0.681 119.829 120.500 0.016 0.000 2.148 229 R HA 0.002 4.342 4.340 -0.000 0.000 0.227 229 R C 2.233 178.552 176.300 0.031 0.000 1.103 229 R CA 0.960 57.073 56.100 0.022 0.000 0.983 229 R CB -0.281 30.019 30.300 0.000 0.000 0.874 229 R HN 0.508 nan 8.270 nan 0.000 0.451 230 A N 0.419 123.233 122.820 -0.009 0.000 2.066 230 A HA -0.048 4.272 4.320 -0.000 0.000 0.218 230 A C 1.741 179.388 177.584 0.105 0.000 1.157 230 A CA 0.895 52.903 52.037 -0.048 0.000 0.670 230 A CB 0.065 18.996 19.000 -0.115 0.000 0.804 230 A HN 0.101 nan 8.150 nan 0.000 0.453 231 R N -0.855 119.696 120.500 0.086 0.000 2.316 231 R HA 0.073 4.413 4.340 -0.000 0.000 0.201 231 R C 1.833 178.154 176.300 0.034 0.000 0.888 231 R CA 1.152 57.295 56.100 0.072 0.000 1.041 231 R CB -0.572 29.750 30.300 0.038 0.000 1.115 231 R HN 0.448 nan 8.270 nan 0.000 0.559 232 V N 0.484 120.418 119.914 0.033 0.000 2.453 232 V HA -0.223 3.897 4.120 -0.000 0.000 0.252 232 V C 2.526 178.596 176.094 -0.040 0.000 1.068 232 V CA 1.988 64.288 62.300 -0.000 0.000 1.070 232 V CB -1.302 30.524 31.823 0.006 0.000 0.664 232 V HN 0.174 nan 8.190 nan 0.000 0.461 233 A N 0.929 123.730 122.820 -0.033 0.000 1.865 233 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 233 A C 2.269 179.760 177.584 -0.155 0.000 1.191 233 A CA 2.158 54.117 52.037 -0.130 0.000 0.623 233 A CB -0.658 18.212 19.000 -0.217 0.000 0.826 233 A HN 0.525 nan 8.150 nan 0.000 0.444 234 L N -0.612 120.531 121.223 -0.132 0.000 2.043 234 L HA -0.228 4.112 4.340 -0.000 0.000 0.212 234 L C 2.792 179.580 176.870 -0.136 0.000 1.075 234 L CA 2.038 56.780 54.840 -0.162 0.000 0.752 234 L CB -1.317 40.616 42.059 -0.209 0.000 0.891 234 L HN 0.394 nan 8.230 nan 0.000 0.432 235 T N -0.362 114.131 114.554 -0.102 0.000 2.708 235 T HA -0.114 4.236 4.350 -0.000 0.000 0.266 235 T C 1.830 176.483 174.700 -0.077 0.000 1.037 235 T CA 1.368 63.421 62.100 -0.078 0.000 1.146 235 T CB -0.535 68.305 68.868 -0.046 0.000 0.865 235 T HN 0.564 nan 8.240 nan 0.000 0.435 236 G N 1.539 110.287 108.800 -0.087 0.000 2.418 236 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.217 236 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.217 236 G C 1.528 176.379 174.900 -0.081 0.000 1.158 236 G CA 0.713 45.763 45.100 -0.084 0.000 0.771 236 G HN 0.384 nan 8.290 nan 0.000 0.545 237 L N 1.268 122.426 121.223 -0.109 0.000 1.990 237 L HA -0.079 4.261 4.340 -0.000 0.000 0.213 237 L C 2.865 179.688 176.870 -0.079 0.000 1.072 237 L CA 2.769 57.543 54.840 -0.109 0.000 0.755 237 L CB -1.243 40.729 42.059 -0.144 0.000 0.889 237 L HN 0.205 nan 8.230 nan 0.000 0.432 238 T N -0.885 113.620 114.554 -0.082 0.000 2.684 238 T HA -0.195 4.155 4.350 -0.000 0.000 0.267 238 T C 2.015 176.672 174.700 -0.071 0.000 1.036 238 T CA 1.745 63.804 62.100 -0.069 0.000 1.148 238 T CB -0.540 68.285 68.868 -0.071 0.000 0.863 238 T HN 0.225 nan 8.240 nan 0.000 0.436 239 V N 1.752 121.617 119.914 -0.082 0.000 2.282 239 V HA -0.261 3.859 4.120 -0.000 0.000 0.249 239 V C 2.880 178.920 176.094 -0.090 0.000 1.057 239 V CA 1.955 64.184 62.300 -0.119 0.000 1.032 239 V CB -1.277 30.514 31.823 -0.053 0.000 0.645 239 V HN 0.572 nan 8.190 nan 0.000 0.447 240 A N -0.461 122.374 122.820 0.025 0.000 1.883 240 A HA -0.274 4.046 4.320 -0.000 0.000 0.217 240 A C 2.134 179.760 177.584 0.069 0.000 1.186 240 A CA 2.016 54.125 52.037 0.120 0.000 0.624 240 A CB -0.577 18.461 19.000 0.064 0.000 0.822 240 A HN 0.658 nan 8.150 nan 0.000 0.444 241 E N -1.595 118.606 120.200 0.002 0.000 2.097 241 E HA -0.270 4.080 4.350 -0.000 0.000 0.196 241 E C 1.847 178.434 176.600 -0.022 0.000 1.000 241 E CA 1.607 58.001 56.400 -0.010 0.000 0.804 241 E CB -0.413 29.274 29.700 -0.023 0.000 0.740 241 E HN 0.797 nan 8.360 nan 0.000 0.454 242 Y N 0.796 120.980 120.300 -0.193 0.000 2.081 242 Y HA -0.302 4.248 4.550 -0.000 0.000 0.280 242 Y C 1.908 177.699 175.900 -0.181 0.000 1.163 242 Y CA 1.795 59.736 58.100 -0.266 0.000 1.135 242 Y CB -0.395 37.772 38.460 -0.489 0.000 0.970 242 Y HN -0.061 nan 8.280 nan 0.000 0.498 243 F N 0.137 120.129 119.950 0.069 0.000 2.171 243 F HA -0.137 4.390 4.527 -0.000 0.000 0.300 243 F C 2.725 178.496 175.800 -0.049 0.000 1.090 243 F CA 1.755 59.777 58.000 0.036 0.000 1.293 243 F CB -0.977 38.186 39.000 0.271 0.000 1.013 243 F HN -0.007 nan 8.300 nan 0.000 0.486 244 R N 0.505 121.076 120.500 0.118 0.000 2.070 244 R HA -0.157 4.183 4.340 -0.000 0.000 0.232 244 R C 1.665 177.946 176.300 -0.032 0.000 1.138 244 R CA 2.207 58.332 56.100 0.042 0.000 0.936 244 R CB -0.343 29.971 30.300 0.023 0.000 0.839 244 R HN 0.156 nan 8.270 nan 0.000 0.429 245 D N -0.302 120.049 120.400 -0.081 0.000 2.216 245 D HA -0.061 4.579 4.640 -0.000 0.000 0.208 245 D C 1.837 178.045 176.300 -0.154 0.000 0.960 245 D CA 0.712 54.654 54.000 -0.096 0.000 0.861 245 D CB 0.009 40.766 40.800 -0.073 0.000 0.985 245 D HN 0.247 nan 8.370 nan 0.000 0.493 246 Q N 0.325 119.939 119.800 -0.309 0.000 2.451 246 Q HA 0.058 4.398 4.340 -0.000 0.000 0.206 246 Q C 0.557 176.364 176.000 -0.322 0.000 0.947 246 Q CA 0.598 56.160 55.803 -0.401 0.000 0.937 246 Q CB 0.540 28.761 28.738 -0.863 0.000 1.025 246 Q HN 0.499 nan 8.270 nan 0.000 0.511 247 E N -0.972 119.096 120.200 -0.221 0.000 2.743 247 E HA 0.184 4.534 4.350 -0.000 0.000 0.222 247 E C 0.343 176.928 176.600 -0.025 0.000 0.959 247 E CA 0.119 56.480 56.400 -0.066 0.000 1.198 247 E CB 1.048 30.782 29.700 0.055 0.000 1.100 247 E HN 0.282 nan 8.360 nan 0.000 0.518 248 G N 2.365 111.139 108.800 -0.042 0.000 2.337 248 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.290 248 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.290 248 G C 0.353 175.244 174.900 -0.015 0.000 1.003 248 G CA 0.652 45.736 45.100 -0.027 0.000 0.825 248 G HN 0.128 nan 8.290 nan 0.000 0.509 249 Q N -0.075 119.732 119.800 0.013 0.000 2.354 249 Q HA 0.275 4.615 4.340 -0.000 0.000 0.244 249 Q C -0.316 175.694 176.000 0.016 0.000 0.969 249 Q CA -0.055 55.746 55.803 -0.003 0.000 0.885 249 Q CB 0.742 29.521 28.738 0.069 0.000 1.241 249 Q HN 0.317 nan 8.270 nan 0.000 0.461 250 D N 1.104 121.493 120.400 -0.017 0.000 2.347 250 D HA 0.261 4.901 4.640 -0.000 0.000 0.235 250 D C -0.614 175.782 176.300 0.159 0.000 1.149 250 D CA -0.107 53.928 54.000 0.058 0.000 0.850 250 D CB 0.865 41.703 40.800 0.064 0.000 1.061 250 D HN 0.063 nan 8.370 nan 0.000 0.487 251 V N 2.802 122.790 119.914 0.123 0.000 2.837 251 V HA 0.487 4.607 4.120 -0.000 0.000 0.310 251 V C 0.294 176.362 176.094 -0.043 0.000 1.059 251 V CA -0.900 61.471 62.300 0.120 0.000 1.004 251 V CB 1.710 33.617 31.823 0.141 0.000 1.045 251 V HN 0.357 nan 8.190 nan 0.000 0.465 252 L N 3.279 124.437 121.223 -0.109 0.000 2.381 252 L HA 0.594 4.934 4.340 -0.000 0.000 0.274 252 L C -1.299 175.436 176.870 -0.225 0.000 0.988 252 L CA -0.548 54.118 54.840 -0.290 0.000 0.824 252 L CB 1.851 43.715 42.059 -0.327 0.000 1.263 252 L HN 0.500 nan 8.230 nan 0.000 0.410 253 L N 4.063 125.040 121.223 -0.411 0.000 2.372 253 L HA 0.580 4.920 4.340 -0.000 0.000 0.273 253 L C -1.509 175.060 176.870 -0.502 0.000 0.989 253 L CA 0.132 54.791 54.840 -0.300 0.000 0.841 253 L CB 1.193 43.126 42.059 -0.210 0.000 1.225 253 L HN 0.204 nan 8.230 nan 0.000 0.414 254 F N 5.770 125.603 119.950 -0.195 0.000 2.436 254 F HA 0.661 5.188 4.527 -0.000 0.000 0.340 254 F C 0.052 175.485 175.800 -0.611 0.000 1.113 254 F CA -0.448 57.365 58.000 -0.313 0.000 1.022 254 F CB 1.529 40.425 39.000 -0.174 0.000 1.128 254 F HN 0.231 nan 8.300 nan 0.000 0.466 255 I N 2.585 122.935 120.570 -0.365 0.000 2.533 255 I HA 0.320 4.490 4.170 -0.000 0.000 0.290 255 I C -1.455 174.472 176.117 -0.316 0.000 1.056 255 I CA -0.638 60.403 61.300 -0.432 0.000 1.057 255 I CB 2.210 40.036 38.000 -0.291 0.000 1.240 255 I HN 0.404 nan 8.210 nan 0.000 0.423 256 D N 5.817 126.038 120.400 -0.299 0.000 2.575 256 D HA 0.293 4.933 4.640 -0.000 0.000 0.250 256 D C -1.401 174.904 176.300 0.008 0.000 1.279 256 D CA -0.230 53.743 54.000 -0.044 0.000 0.925 256 D CB 1.429 42.300 40.800 0.118 0.000 1.261 256 D HN 0.459 nan 8.370 nan 0.000 0.567 257 N N 3.943 122.666 118.700 0.038 0.000 2.258 257 N HA 0.230 4.970 4.740 -0.000 0.000 0.299 257 N C 0.412 175.957 175.510 0.058 0.000 1.047 257 N CA -0.466 52.623 53.050 0.064 0.000 0.814 257 N CB 1.883 40.465 38.487 0.158 0.000 1.413 257 N HN 0.341 nan 8.380 nan 0.000 0.478 258 I N 3.362 123.940 120.570 0.013 0.000 3.291 258 I HA -0.021 4.149 4.170 -0.000 0.000 0.279 258 I C 1.555 177.739 176.117 0.111 0.000 1.294 258 I CA 0.438 61.733 61.300 -0.007 0.000 1.428 258 I CB -0.267 37.652 38.000 -0.136 0.000 1.070 258 I HN 0.572 nan 8.210 nan 0.000 0.478 259 F N 1.029 121.006 119.950 0.046 0.000 2.234 259 F HA -0.142 4.385 4.527 -0.000 0.000 0.299 259 F C 2.271 178.160 175.800 0.148 0.000 1.087 259 F CA 1.250 59.318 58.000 0.114 0.000 1.340 259 F CB -0.269 38.831 39.000 0.167 0.000 1.031 259 F HN -0.074 nan 8.300 nan 0.000 0.500 260 R N 0.229 120.737 120.500 0.014 0.000 2.127 260 R HA -0.210 4.130 4.340 -0.000 0.000 0.238 260 R C 2.205 178.448 176.300 -0.095 0.000 1.134 260 R CA 1.585 57.632 56.100 -0.089 0.000 0.975 260 R CB -1.820 28.508 30.300 0.047 0.000 0.865 260 R HN 0.524 nan 8.270 nan 0.000 0.447 261 F N 1.746 121.603 119.950 -0.156 0.000 2.134 261 F HA -0.174 4.353 4.527 -0.000 0.000 0.299 261 F C 1.930 177.644 175.800 -0.142 0.000 1.097 261 F CA 1.680 59.604 58.000 -0.125 0.000 1.264 261 F CB -0.410 38.525 39.000 -0.108 0.000 1.001 261 F HN -0.128 nan 8.300 nan 0.000 0.479 262 T N 0.330 114.754 114.554 -0.215 0.000 2.737 262 T HA -0.234 4.116 4.350 -0.000 0.000 0.265 262 T C 1.876 176.406 174.700 -0.283 0.000 1.038 262 T CA 1.539 63.461 62.100 -0.296 0.000 1.144 262 T CB -0.438 68.373 68.868 -0.095 0.000 0.866 262 T HN 0.488 nan 8.240 nan 0.000 0.434 263 Q N 0.945 120.494 119.800 -0.419 0.000 2.061 263 Q HA -0.150 4.190 4.340 -0.000 0.000 0.204 263 Q C 2.475 178.352 176.000 -0.204 0.000 0.984 263 Q CA 1.701 57.312 55.803 -0.321 0.000 0.846 263 Q CB -0.379 28.087 28.738 -0.453 0.000 0.902 263 Q HN 0.513 nan 8.270 nan 0.000 0.421 264 A N 0.573 123.259 122.820 -0.223 0.000 1.917 264 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 264 A C 2.301 179.773 177.584 -0.186 0.000 1.182 264 A CA 1.823 53.756 52.037 -0.174 0.000 0.633 264 A CB -1.499 17.404 19.000 -0.160 0.000 0.819 264 A HN 0.645 nan 8.150 nan 0.000 0.448 265 G N -0.235 108.398 108.800 -0.277 0.000 2.422 265 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.218 265 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.218 265 G C 1.958 176.790 174.900 -0.114 0.000 1.146 265 G CA 1.816 46.776 45.100 -0.233 0.000 0.769 265 G HN 0.946 nan 8.290 nan 0.000 0.547 266 S N 0.286 115.938 115.700 -0.079 0.000 2.447 266 S HA -0.006 4.464 4.470 -0.000 0.000 0.233 266 S C 1.936 176.495 174.600 -0.068 0.000 1.006 266 S CA 1.493 59.669 58.200 -0.041 0.000 0.957 266 S CB -0.196 62.967 63.200 -0.062 0.000 0.773 266 S HN 0.578 nan 8.310 nan 0.000 0.507 267 E N 0.886 121.038 120.200 -0.080 0.000 2.072 267 E HA -0.078 4.272 4.350 -0.000 0.000 0.191 267 E C 2.322 178.892 176.600 -0.049 0.000 0.985 267 E CA 1.476 57.839 56.400 -0.063 0.000 0.801 267 E CB -0.271 29.392 29.700 -0.061 0.000 0.750 267 E HN 0.651 nan 8.360 nan 0.000 0.452 268 V N -1.541 118.341 119.914 -0.053 0.000 2.788 268 V HA -0.061 4.059 4.120 -0.000 0.000 0.251 268 V C 2.224 178.300 176.094 -0.030 0.000 1.068 268 V CA 1.434 63.711 62.300 -0.038 0.000 1.090 268 V CB 0.236 32.035 31.823 -0.040 0.000 0.710 268 V HN 0.123 nan 8.190 nan 0.000 0.467 269 S N 1.327 117.007 115.700 -0.034 0.000 2.381 269 S HA -0.287 4.183 4.470 -0.000 0.000 0.230 269 S C 2.156 176.749 174.600 -0.012 0.000 1.052 269 S CA 2.536 60.724 58.200 -0.020 0.000 1.068 269 S CB -0.714 62.479 63.200 -0.012 0.000 0.918 269 S HN 1.107 nan 8.310 nan 0.000 0.448 270 A N 1.459 124.270 122.820 -0.015 0.000 1.877 270 A HA 0.059 4.379 4.320 -0.000 0.000 0.216 270 A C 2.234 179.814 177.584 -0.007 0.000 1.186 270 A CA 1.501 53.532 52.037 -0.009 0.000 0.620 270 A CB -0.847 18.145 19.000 -0.012 0.000 0.822 270 A HN 0.591 nan 8.150 nan 0.000 0.443 271 L N -0.619 120.598 121.223 -0.010 0.000 2.081 271 L HA -0.209 4.131 4.340 -0.000 0.000 0.212 271 L C 2.184 179.052 176.870 -0.003 0.000 1.080 271 L CA 1.148 55.984 54.840 -0.007 0.000 0.754 271 L CB -0.747 41.306 42.059 -0.009 0.000 0.893 271 L HN 0.366 nan 8.230 nan 0.000 0.433 272 L N 0.014 121.234 121.223 -0.004 0.000 2.622 272 L HA 0.020 4.360 4.340 -0.000 0.000 0.233 272 L C 1.342 178.214 176.870 0.003 0.000 1.156 272 L CA 0.593 55.433 54.840 -0.000 0.000 0.866 272 L CB -0.706 41.351 42.059 -0.003 0.000 0.980 272 L HN 0.514 nan 8.230 nan 0.000 0.448 273 G N 0.725 109.526 108.800 0.002 0.000 2.171 273 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.238 273 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.238 273 G C 0.070 174.973 174.900 0.005 0.000 1.039 273 G CA -0.326 44.776 45.100 0.004 0.000 0.759 273 G HN 0.399 nan 8.290 nan 0.000 0.501 274 R N -0.626 119.877 120.500 0.004 0.000 2.474 274 R HA 0.630 4.970 4.340 -0.000 0.000 0.295 274 R C 0.927 177.233 176.300 0.010 0.000 0.980 274 R CA -0.953 55.152 56.100 0.007 0.000 0.934 274 R CB 1.332 31.637 30.300 0.008 0.000 1.101 274 R HN 0.289 nan 8.270 nan 0.000 0.469 275 I N 4.776 125.353 120.570 0.012 0.000 2.618 275 I HA 0.051 4.221 4.170 -0.000 0.000 0.284 275 I C -1.580 174.549 176.117 0.021 0.000 1.146 275 I CA -1.509 59.800 61.300 0.015 0.000 1.425 275 I CB 0.309 38.318 38.000 0.015 0.000 1.383 275 I HN 0.311 nan 8.210 nan 0.000 0.562 276 P HA 0.117 nan 4.420 nan 0.000 0.274 276 P C -0.363 176.965 177.300 0.047 0.000 1.237 276 P CA -0.295 62.826 63.100 0.035 0.000 0.793 276 P CB 1.351 33.066 31.700 0.025 0.000 0.977 277 S N 0.269 116.012 115.700 0.072 0.000 2.448 277 S HA 0.620 5.090 4.470 -0.000 0.000 0.271 277 S C 0.003 174.661 174.600 0.096 0.000 1.145 277 S CA -0.422 57.825 58.200 0.078 0.000 1.022 277 S CB -0.062 63.191 63.200 0.089 0.000 1.202 277 S HN 0.606 nan 8.310 nan 0.000 0.479 278 A N 0.206 123.092 122.820 0.110 0.000 2.462 278 A HA 0.474 4.794 4.320 -0.000 0.000 0.243 278 A C 0.761 178.456 177.584 0.185 0.000 1.076 278 A CA 0.245 52.354 52.037 0.120 0.000 0.773 278 A CB -0.538 18.527 19.000 0.109 0.000 1.010 278 A HN 1.586 nan 8.150 nan 0.000 0.493 279 V N 0.888 120.880 119.914 0.131 0.000 4.591 279 V HA -0.285 3.835 4.120 -0.000 0.000 0.261 279 V C 1.681 177.772 176.094 -0.005 0.000 0.425 279 V CA 1.384 63.746 62.300 0.105 0.000 0.826 279 V CB -2.561 29.389 31.823 0.211 0.000 0.812 279 V HN 2.922 nan 8.190 nan 0.000 1.340 280 G N -2.456 106.352 108.800 0.013 0.000 2.184 280 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.264 280 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.264 280 G C -0.086 174.787 174.900 -0.044 0.000 0.975 280 G CA 0.591 45.667 45.100 -0.040 0.000 0.642 280 G HN 0.960 nan 8.290 nan 0.000 0.536 281 Y N 1.535 121.850 120.300 0.025 0.000 2.299 281 Y HA 0.399 4.949 4.550 -0.000 0.000 0.335 281 Y C 1.543 177.445 175.900 0.003 0.000 1.287 281 Y CA 0.057 58.164 58.100 0.013 0.000 1.424 281 Y CB 0.451 38.927 38.460 0.027 0.000 1.326 281 Y HN 0.449 nan 8.280 nan 0.000 0.567 282 Q N 3.465 123.381 119.800 0.194 0.000 2.364 282 Q HA 0.085 4.425 4.340 -0.000 0.000 0.267 282 Q C -2.090 173.958 176.000 0.080 0.000 0.999 282 Q CA -1.644 54.214 55.803 0.091 0.000 0.886 282 Q CB 0.649 29.419 28.738 0.053 0.000 1.243 282 Q HN 0.399 nan 8.270 nan 0.000 0.415 283 P HA -0.144 nan 4.420 nan 0.000 0.225 283 P C 0.950 178.269 177.300 0.032 0.000 1.148 283 P CA 1.330 64.456 63.100 0.042 0.000 0.779 283 P CB 0.024 31.743 31.700 0.031 0.000 0.780 284 T N -4.175 110.394 114.554 0.026 0.000 3.163 284 T HA 0.146 4.496 4.350 -0.000 0.000 0.252 284 T C 1.562 176.276 174.700 0.022 0.000 1.056 284 T CA -0.364 61.749 62.100 0.021 0.000 0.947 284 T CB -0.942 67.934 68.868 0.014 0.000 1.016 284 T HN -0.072 nan 8.240 nan 0.000 0.554 285 L N 1.215 122.448 121.223 0.016 0.000 1.978 285 L HA -0.135 4.205 4.340 -0.000 0.000 0.218 285 L C 2.880 179.768 176.870 0.030 0.000 1.075 285 L CA 2.254 57.092 54.840 -0.003 0.000 0.767 285 L CB -0.825 41.196 42.059 -0.064 0.000 0.890 285 L HN 0.422 nan 8.230 nan 0.000 0.434 286 A N -0.796 122.047 122.820 0.038 0.000 1.877 286 A HA -0.248 4.072 4.320 -0.000 0.000 0.216 286 A C 2.346 179.987 177.584 0.094 0.000 1.186 286 A CA 2.511 54.593 52.037 0.075 0.000 0.620 286 A CB -1.319 17.718 19.000 0.062 0.000 0.822 286 A HN 0.677 nan 8.150 nan 0.000 0.443 287 T N -1.925 112.671 114.554 0.071 0.000 2.788 287 T HA -0.161 4.189 4.350 -0.000 0.000 0.268 287 T C 1.342 176.096 174.700 0.090 0.000 1.044 287 T CA 1.590 63.733 62.100 0.072 0.000 1.139 287 T CB -0.565 68.333 68.868 0.050 0.000 0.867 287 T HN 0.373 nan 8.240 nan 0.000 0.454 288 D N 0.865 121.324 120.400 0.099 0.000 2.117 288 D HA -0.032 4.608 4.640 -0.000 0.000 0.197 288 D C 1.993 178.445 176.300 0.254 0.000 0.987 288 D CA 1.032 55.130 54.000 0.164 0.000 0.829 288 D CB -0.441 40.426 40.800 0.112 0.000 0.961 288 D HN 0.414 nan 8.370 nan 0.000 0.460 289 M N 0.424 120.144 119.600 0.199 0.000 2.099 289 M HA -0.063 4.417 4.480 -0.000 0.000 0.262 289 M C 2.055 178.312 176.300 -0.071 0.000 1.067 289 M CA 1.966 57.322 55.300 0.093 0.000 1.124 289 M CB -0.247 32.396 32.600 0.073 0.000 1.353 289 M HN 0.047 nan 8.290 nan 0.000 0.410 290 G N -0.420 108.412 108.800 0.054 0.000 2.480 290 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.216 290 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.216 290 G C 1.360 176.280 174.900 0.033 0.000 1.200 290 G CA 1.685 46.840 45.100 0.093 0.000 0.782 290 G HN 0.591 nan 8.290 nan 0.000 0.554 291 T N -1.559 113.020 114.554 0.043 0.000 3.051 291 T HA 0.074 4.424 4.350 -0.000 0.000 0.269 291 T C 2.063 176.756 174.700 -0.013 0.000 1.127 291 T CA 1.358 63.477 62.100 0.031 0.000 1.107 291 T CB 0.025 68.927 68.868 0.057 0.000 0.898 291 T HN 0.255 nan 8.240 nan 0.000 0.517 292 M N -0.002 119.556 119.600 -0.069 0.000 2.398 292 M HA 0.074 4.554 4.480 -0.000 0.000 0.261 292 M C 2.227 178.382 176.300 -0.242 0.000 1.125 292 M CA 0.885 56.075 55.300 -0.183 0.000 1.183 292 M CB -0.156 32.231 32.600 -0.354 0.000 1.322 292 M HN 0.050 nan 8.290 nan 0.000 0.467 293 Q N 0.945 120.558 119.800 -0.312 0.000 2.135 293 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 293 Q C 1.584 177.483 176.000 -0.168 0.000 0.981 293 Q CA 1.358 56.949 55.803 -0.353 0.000 0.856 293 Q CB -0.445 27.844 28.738 -0.749 0.000 0.902 293 Q HN 0.589 nan 8.270 nan 0.000 0.425 294 E N 0.184 120.338 120.200 -0.077 0.000 2.472 294 E HA -0.115 4.235 4.350 -0.000 0.000 0.200 294 E C 1.499 178.081 176.600 -0.030 0.000 1.046 294 E CA 0.418 56.813 56.400 -0.008 0.000 0.871 294 E CB 0.039 29.761 29.700 0.036 0.000 0.806 294 E HN 0.335 nan 8.360 nan 0.000 0.533 295 R N -0.084 120.377 120.500 -0.065 0.000 2.265 295 R HA 0.236 4.576 4.340 -0.000 0.000 0.194 295 R C 0.912 177.166 176.300 -0.077 0.000 0.931 295 R CA 0.013 56.077 56.100 -0.061 0.000 1.032 295 R CB 0.478 30.739 30.300 -0.066 0.000 0.980 295 R HN 0.027 nan 8.270 nan 0.000 0.497 296 I N 1.904 122.412 120.570 -0.104 0.000 2.243 296 I HA 0.074 4.244 4.170 -0.000 0.000 0.297 296 I C -0.068 175.997 176.117 -0.087 0.000 1.161 296 I CA 0.238 61.469 61.300 -0.114 0.000 1.298 296 I CB 0.550 38.455 38.000 -0.159 0.000 1.475 296 I HN -0.063 nan 8.210 nan 0.000 0.561 297 T N 2.613 117.126 114.554 -0.067 0.000 2.886 297 T HA 0.265 4.615 4.350 -0.000 0.000 0.330 297 T C -0.307 174.364 174.700 -0.048 0.000 1.488 297 T CA -0.355 61.713 62.100 -0.054 0.000 1.054 297 T CB 1.639 70.484 68.868 -0.038 0.000 1.348 297 T HN 0.270 nan 8.240 nan 0.000 0.489 298 T N 3.067 117.593 114.554 -0.047 0.000 2.899 298 T HA 0.648 4.998 4.350 -0.000 0.000 0.295 298 T C 0.375 175.050 174.700 -0.042 0.000 1.033 298 T CA -0.004 62.071 62.100 -0.041 0.000 1.084 298 T CB 0.831 69.675 68.868 -0.040 0.000 0.979 298 T HN 0.957 nan 8.240 nan 0.000 0.532 299 T N -0.825 113.705 114.554 -0.038 0.000 2.647 299 T HA 0.457 4.807 4.350 -0.000 0.000 0.295 299 T C 0.758 175.434 174.700 -0.041 0.000 1.126 299 T CA -0.993 61.081 62.100 -0.044 0.000 1.040 299 T CB 1.315 70.160 68.868 -0.039 0.000 1.472 299 T HN 0.351 nan 8.240 nan 0.000 0.500 300 K N -0.007 120.367 120.400 -0.043 0.000 2.288 300 K HA 0.097 4.417 4.320 -0.000 0.000 0.201 300 K C 2.052 178.633 176.600 -0.031 0.000 1.048 300 K CA 0.820 57.085 56.287 -0.038 0.000 0.956 300 K CB -0.053 32.424 32.500 -0.039 0.000 0.746 300 K HN 0.428 nan 8.250 nan 0.000 0.461 301 K N -0.356 120.026 120.400 -0.030 0.000 2.098 301 K HA 0.021 4.341 4.320 -0.000 0.000 0.203 301 K C 0.766 177.351 176.600 -0.026 0.000 1.051 301 K CA 0.777 57.046 56.287 -0.029 0.000 0.957 301 K CB 0.549 33.029 32.500 -0.033 0.000 0.738 301 K HN 0.157 nan 8.250 nan 0.000 0.447 302 G N -0.992 107.794 108.800 -0.023 0.000 2.684 302 G HA2 0.335 4.295 3.960 -0.000 0.000 0.290 302 G HA3 0.335 4.295 3.960 -0.000 0.000 0.290 302 G C -1.665 173.228 174.900 -0.012 0.000 1.425 302 G CA -0.534 44.558 45.100 -0.013 0.000 0.822 302 G HN -0.058 nan 8.290 nan 0.000 0.482 303 S N -0.650 115.049 115.700 -0.002 0.000 2.451 303 S HA 0.707 5.177 4.470 -0.000 0.000 0.301 303 S C -0.509 174.087 174.600 -0.007 0.000 1.116 303 S CA -0.633 57.563 58.200 -0.007 0.000 1.093 303 S CB 0.522 63.724 63.200 0.003 0.000 1.017 303 S HN 0.400 nan 8.310 nan 0.000 0.482 304 I N 4.398 124.948 120.570 -0.033 0.000 2.420 304 I HA 0.224 4.394 4.170 -0.000 0.000 0.282 304 I C -0.308 175.747 176.117 -0.104 0.000 1.019 304 I CA -0.355 60.911 61.300 -0.057 0.000 1.130 304 I CB 1.895 39.859 38.000 -0.060 0.000 1.262 304 I HN 0.499 nan 8.210 nan 0.000 0.454 305 T N 4.351 118.820 114.554 -0.141 0.000 2.749 305 T HA 0.317 4.667 4.350 -0.000 0.000 0.295 305 T C 0.105 174.627 174.700 -0.296 0.000 0.936 305 T CA -0.520 61.466 62.100 -0.190 0.000 1.060 305 T CB 0.614 69.368 68.868 -0.189 0.000 0.904 305 T HN 0.626 nan 8.240 nan 0.000 0.500 306 S N 2.015 117.540 115.700 -0.291 0.000 2.502 306 S HA 0.700 5.170 4.470 -0.000 0.000 0.304 306 S C -0.621 173.753 174.600 -0.376 0.000 1.097 306 S CA -0.863 57.123 58.200 -0.358 0.000 1.045 306 S CB 1.394 64.435 63.200 -0.264 0.000 1.019 306 S HN 0.393 nan 8.310 nan 0.000 0.481 307 V N 3.373 123.015 119.914 -0.453 0.000 2.378 307 V HA 0.471 4.591 4.120 -0.000 0.000 0.288 307 V C -0.500 175.459 176.094 -0.225 0.000 1.016 307 V CA -0.474 61.630 62.300 -0.326 0.000 0.840 307 V CB 1.175 32.854 31.823 -0.240 0.000 0.994 307 V HN 0.953 nan 8.190 nan 0.000 0.431 308 Q N 3.109 122.786 119.800 -0.206 0.000 2.330 308 Q HA 0.727 5.067 4.340 -0.000 0.000 0.269 308 Q C -0.354 175.544 176.000 -0.169 0.000 1.022 308 Q CA -0.587 55.100 55.803 -0.193 0.000 0.796 308 Q CB 2.661 31.260 28.738 -0.231 0.000 1.271 308 Q HN 0.866 nan 8.270 nan 0.000 0.450 309 A N 3.669 126.425 122.820 -0.106 0.000 2.366 309 A HA 0.538 4.858 4.320 -0.000 0.000 0.272 309 A C -0.318 177.200 177.584 -0.110 0.000 1.135 309 A CA -0.301 51.693 52.037 -0.072 0.000 0.804 309 A CB 0.065 19.078 19.000 0.023 0.000 1.064 309 A HN 0.756 nan 8.150 nan 0.000 0.499 310 I N 3.119 123.562 120.570 -0.212 0.000 2.464 310 I HA 0.132 4.302 4.170 -0.000 0.000 0.277 310 I C -0.711 175.321 176.117 -0.141 0.000 1.040 310 I CA -0.457 60.694 61.300 -0.248 0.000 1.153 310 I CB 0.843 38.391 38.000 -0.754 0.000 1.274 310 I HN 0.728 nan 8.210 nan 0.000 0.469 311 Y N 6.920 127.144 120.300 -0.126 0.000 2.544 311 Y HA 0.239 4.789 4.550 0.000 0.000 0.330 311 Y C -0.235 175.339 175.900 -0.544 0.000 1.136 311 Y CA 0.130 58.070 58.100 -0.266 0.000 1.417 311 Y CB 0.713 39.043 38.460 -0.217 0.000 1.229 311 Y HN 0.273 nan 8.280 nan 0.000 0.532 312 V N 10.051 129.378 119.914 -0.980 0.000 2.311 312 V HA 0.269 4.389 4.120 -0.000 0.000 0.275 312 V C -2.110 173.472 176.094 -0.853 0.000 1.022 312 V CA -2.084 59.818 62.300 -0.664 0.000 0.830 312 V CB 0.907 32.570 31.823 -0.265 0.000 1.012 312 V HN 0.707 nan 8.190 nan 0.000 0.452 313 P HA 0.147 nan 4.420 nan 0.000 0.267 313 P C 0.596 177.837 177.300 -0.098 0.000 1.209 313 P CA 0.724 63.694 63.100 -0.216 0.000 0.763 313 P CB 0.996 32.740 31.700 0.074 0.000 0.816 314 A N 3.663 126.455 122.820 -0.046 0.000 2.910 314 A HA -0.270 4.050 4.320 -0.000 0.000 0.267 314 A C 0.933 178.489 177.584 -0.048 0.000 1.310 314 A CA 1.502 53.531 52.037 -0.013 0.000 0.934 314 A CB -2.625 16.388 19.000 0.022 0.000 1.057 314 A HN 0.537 nan 8.150 nan 0.000 0.742 315 D N -2.229 118.099 120.400 -0.120 0.000 3.028 315 D HA -0.157 4.483 4.640 -0.000 0.000 0.207 315 D C -0.258 176.010 176.300 -0.054 0.000 1.100 315 D CA 1.994 55.934 54.000 -0.099 0.000 0.995 315 D CB -1.261 39.507 40.800 -0.055 0.000 1.108 315 D HN 0.915 nan 8.370 nan 0.000 0.421 316 D N 0.421 120.799 120.400 -0.036 0.000 2.393 316 D HA 0.197 4.837 4.640 -0.000 0.000 0.232 316 D C 1.361 177.681 176.300 0.034 0.000 1.192 316 D CA -0.199 53.805 54.000 0.007 0.000 0.882 316 D CB 0.264 41.083 40.800 0.032 0.000 1.038 316 D HN 0.182 nan 8.370 nan 0.000 0.499 317 L N 2.774 124.025 121.223 0.046 0.000 2.622 317 L HA -0.037 4.303 4.340 -0.000 0.000 0.233 317 L C 2.057 179.002 176.870 0.125 0.000 1.156 317 L CA 0.898 55.803 54.840 0.109 0.000 0.866 317 L CB -0.206 41.908 42.059 0.092 0.000 0.980 317 L HN 0.482 nan 8.230 nan 0.000 0.448 318 T N -5.341 109.260 114.554 0.079 0.000 3.107 318 T HA -0.007 4.343 4.350 -0.000 0.000 0.249 318 T C 0.500 175.263 174.700 0.106 0.000 1.096 318 T CA -0.462 61.683 62.100 0.075 0.000 1.012 318 T CB -0.363 68.529 68.868 0.040 0.000 0.977 318 T HN 0.119 nan 8.240 nan 0.000 0.527 319 D N 2.657 123.137 120.400 0.132 0.000 2.458 319 D HA 0.160 4.800 4.640 -0.000 0.000 0.243 319 D C -1.271 175.117 176.300 0.147 0.000 1.146 319 D CA -1.776 52.333 54.000 0.182 0.000 0.877 319 D CB 1.172 42.105 40.800 0.222 0.000 1.176 319 D HN -0.045 nan 8.370 nan 0.000 0.461 320 P HA -0.314 nan 4.420 nan 0.000 0.219 320 P C 0.790 177.998 177.300 -0.154 0.000 1.158 320 P CA 2.170 65.215 63.100 -0.091 0.000 0.895 320 P CB 0.011 31.547 31.700 -0.272 0.000 0.792 321 A N -0.153 122.559 122.820 -0.180 0.000 1.841 321 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 321 A C 0.019 177.699 177.584 0.160 0.000 1.199 321 A CA 2.677 54.720 52.037 0.009 0.000 0.621 321 A CB -2.289 16.901 19.000 0.316 0.000 0.835 321 A HN 0.227 nan 8.150 nan 0.000 0.445 322 P HA -0.101 nan 4.420 nan 0.000 0.216 322 P C 1.651 179.137 177.300 0.308 0.000 1.153 322 P CA 2.026 65.292 63.100 0.277 0.000 0.848 322 P CB -0.280 31.605 31.700 0.309 0.000 0.787 323 A N -0.005 122.989 122.820 0.291 0.000 1.892 323 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 323 A C 2.219 179.989 177.584 0.310 0.000 1.188 323 A CA 2.652 54.889 52.037 0.332 0.000 0.631 323 A CB -2.069 17.040 19.000 0.181 0.000 0.822 323 A HN 0.237 nan 8.150 nan 0.000 0.447 324 T N -0.498 114.173 114.554 0.196 0.000 3.118 324 T HA 0.015 4.365 4.350 -0.000 0.000 0.260 324 T C 1.474 176.317 174.700 0.238 0.000 1.139 324 T CA 1.444 63.647 62.100 0.170 0.000 1.085 324 T CB -0.181 68.748 68.868 0.101 0.000 0.934 324 T HN 0.570 nan 8.240 nan 0.000 0.518 325 T N 1.044 115.746 114.554 0.246 0.000 3.051 325 T HA 0.191 4.541 4.350 -0.000 0.000 0.255 325 T C 1.401 176.262 174.700 0.268 0.000 1.085 325 T CA 0.017 62.261 62.100 0.241 0.000 1.109 325 T CB -0.232 68.671 68.868 0.058 0.000 0.921 325 T HN 0.265 nan 8.240 nan 0.000 0.488 326 F N 2.628 122.758 119.950 0.300 0.000 2.065 326 F HA -0.124 4.403 4.527 0.000 0.000 0.298 326 F C 2.707 178.566 175.800 0.098 0.000 1.112 326 F CA 1.198 59.318 58.000 0.199 0.000 1.212 326 F CB -0.923 38.093 39.000 0.026 0.000 0.975 326 F HN 0.145 nan 8.300 nan 0.000 0.476 327 A N -1.495 121.439 122.820 0.190 0.000 2.245 327 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 327 A C 1.517 179.012 177.584 -0.149 0.000 1.171 327 A CA 1.667 53.691 52.037 -0.023 0.000 0.688 327 A CB -1.016 17.890 19.000 -0.157 0.000 0.781 327 A HN 0.572 nan 8.150 nan 0.000 0.479 328 H N -1.687 117.431 119.070 0.080 0.000 2.652 328 H HA 0.367 4.923 4.556 0.000 0.000 0.274 328 H C -0.136 175.199 175.328 0.012 0.000 1.021 328 H CA -0.004 56.061 56.048 0.027 0.000 1.187 328 H CB 0.198 29.956 29.762 -0.007 0.000 1.505 328 H HN 0.373 nan 8.280 nan 0.000 0.530 329 L N 0.030 121.336 121.223 0.139 0.000 2.332 329 L HA 0.259 4.599 4.340 -0.000 0.000 0.269 329 L C 0.907 177.818 176.870 0.068 0.000 1.016 329 L CA -0.592 54.299 54.840 0.085 0.000 0.809 329 L CB 1.558 43.684 42.059 0.111 0.000 1.280 329 L HN -0.141 nan 8.230 nan 0.000 0.447 330 D N 0.324 120.745 120.400 0.035 0.000 2.380 330 D HA 0.238 4.878 4.640 -0.000 0.000 0.212 330 D C 0.128 176.462 176.300 0.058 0.000 1.021 330 D CA 0.557 54.578 54.000 0.036 0.000 0.884 330 D CB 1.050 41.856 40.800 0.010 0.000 1.001 330 D HN 0.513 nan 8.370 nan 0.000 0.506 331 A N 0.531 123.383 122.820 0.053 0.000 2.455 331 A HA 0.589 4.909 4.320 -0.000 0.000 0.300 331 A C -0.495 177.164 177.584 0.126 0.000 1.040 331 A CA -0.556 51.545 52.037 0.107 0.000 0.697 331 A CB 1.677 20.770 19.000 0.154 0.000 1.265 331 A HN -0.022 nan 8.150 nan 0.000 0.407 332 T N -0.992 113.683 114.554 0.202 0.000 2.886 332 T HA 0.698 5.048 4.350 -0.000 0.000 0.292 332 T C -0.610 174.261 174.700 0.283 0.000 1.012 332 T CA -0.466 61.798 62.100 0.273 0.000 0.982 332 T CB 1.520 70.609 68.868 0.367 0.000 1.018 332 T HN 0.520 nan 8.240 nan 0.000 0.451 333 T N 3.090 117.833 114.554 0.314 0.000 3.042 333 T HA 0.402 4.752 4.350 -0.000 0.000 0.356 333 T C 0.017 174.886 174.700 0.281 0.000 1.233 333 T CA -0.503 61.765 62.100 0.279 0.000 1.038 333 T CB 0.406 69.454 68.868 0.301 0.000 1.089 333 T HN 0.649 nan 8.240 nan 0.000 0.531 334 V N 5.687 125.736 119.914 0.226 0.000 2.387 334 V HA 0.245 4.365 4.120 -0.000 0.000 0.260 334 V C 0.438 176.616 176.094 0.140 0.000 1.054 334 V CA -0.501 61.920 62.300 0.201 0.000 0.967 334 V CB 0.014 31.897 31.823 0.100 0.000 1.036 334 V HN 0.732 nan 8.190 nan 0.000 0.481 335 L N 4.166 125.477 121.223 0.147 0.000 2.395 335 L HA 0.482 4.822 4.340 -0.000 0.000 0.269 335 L C 0.518 177.422 176.870 0.057 0.000 1.133 335 L CA 0.300 55.198 54.840 0.098 0.000 0.812 335 L CB 1.415 43.541 42.059 0.112 0.000 1.125 335 L HN 0.624 nan 8.230 nan 0.000 0.452 336 S N 1.330 117.044 115.700 0.023 0.000 2.502 336 S HA 0.339 4.809 4.470 -0.000 0.000 0.304 336 S C 0.651 175.239 174.600 -0.020 0.000 1.097 336 S CA -0.751 57.447 58.200 -0.004 0.000 1.045 336 S CB 1.706 64.894 63.200 -0.020 0.000 1.019 336 S HN 0.706 nan 8.310 nan 0.000 0.481 337 R N 3.461 123.951 120.500 -0.015 0.000 2.066 337 R HA -0.017 4.323 4.340 -0.000 0.000 0.232 337 R C 2.224 178.504 176.300 -0.034 0.000 1.131 337 R CA 1.806 57.897 56.100 -0.015 0.000 0.955 337 R CB -0.704 29.592 30.300 -0.007 0.000 0.851 337 R HN 0.783 nan 8.270 nan 0.000 0.432 338 A N 1.279 124.078 122.820 -0.035 0.000 1.892 338 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 338 A C 2.158 179.707 177.584 -0.059 0.000 1.188 338 A CA 1.850 53.862 52.037 -0.041 0.000 0.631 338 A CB -0.683 18.293 19.000 -0.040 0.000 0.822 338 A HN 0.390 nan 8.150 nan 0.000 0.447 339 I N -0.432 120.095 120.570 -0.072 0.000 2.179 339 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 339 I C 3.012 179.017 176.117 -0.187 0.000 1.088 339 I CA 1.056 62.296 61.300 -0.101 0.000 1.357 339 I CB -0.552 37.393 38.000 -0.091 0.000 1.051 339 I HN 0.371 nan 8.210 nan 0.000 0.409 340 A N 0.689 123.369 122.820 -0.234 0.000 1.917 340 A HA -0.259 4.061 4.320 -0.000 0.000 0.219 340 A C 2.190 179.625 177.584 -0.249 0.000 1.182 340 A CA 1.918 53.703 52.037 -0.419 0.000 0.633 340 A CB -0.708 18.190 19.000 -0.171 0.000 0.819 340 A HN 0.484 nan 8.150 nan 0.000 0.448 341 E N -0.507 119.633 120.200 -0.101 0.000 2.265 341 E HA -0.072 4.278 4.350 -0.000 0.000 0.196 341 E C 1.561 178.139 176.600 -0.037 0.000 0.996 341 E CA 0.542 56.921 56.400 -0.035 0.000 0.832 341 E CB -0.204 29.487 29.700 -0.016 0.000 0.756 341 E HN 0.626 nan 8.360 nan 0.000 0.491 342 L N -0.552 120.631 121.223 -0.066 0.000 2.554 342 L HA 0.048 4.388 4.340 -0.000 0.000 0.226 342 L C 1.390 178.248 176.870 -0.020 0.000 1.137 342 L CA 0.537 55.356 54.840 -0.035 0.000 0.863 342 L CB 0.066 42.110 42.059 -0.025 0.000 0.985 342 L HN 0.315 nan 8.230 nan 0.000 0.451 343 G N 0.251 109.016 108.800 -0.059 0.000 2.157 343 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.239 343 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.239 343 G C 0.210 175.148 174.900 0.063 0.000 0.982 343 G CA -0.477 44.662 45.100 0.065 0.000 0.650 343 G HN 0.135 nan 8.290 nan 0.000 0.527 344 I N 1.152 121.622 120.570 -0.167 0.000 2.312 344 I HA 0.463 4.633 4.170 -0.000 0.000 0.291 344 I C -0.175 175.685 176.117 -0.429 0.000 1.031 344 I CA -0.603 60.615 61.300 -0.136 0.000 1.293 344 I CB 0.009 37.967 38.000 -0.069 0.000 1.403 344 I HN 0.045 nan 8.210 nan 0.000 0.484 345 Y N 7.152 127.380 120.300 -0.120 0.000 2.425 345 Y HA 0.431 4.981 4.550 0.000 0.000 0.344 345 Y C -2.124 173.564 175.900 -0.355 0.000 0.969 345 Y CA -2.659 55.315 58.100 -0.210 0.000 1.052 345 Y CB 1.890 40.204 38.460 -0.244 0.000 1.215 345 Y HN 0.408 nan 8.280 nan 0.000 0.451 346 P HA 0.118 nan 4.420 nan 0.000 0.271 346 P C -0.312 176.990 177.300 0.003 0.000 1.216 346 P CA -0.246 62.869 63.100 0.024 0.000 0.776 346 P CB 1.021 32.808 31.700 0.146 0.000 0.881 347 A N 3.489 126.309 122.820 0.001 0.000 2.478 347 A HA 0.145 4.465 4.320 -0.000 0.000 0.239 347 A C 0.545 178.122 177.584 -0.011 0.000 1.480 347 A CA -0.173 51.806 52.037 -0.096 0.000 1.308 347 A CB -1.352 17.569 19.000 -0.131 0.000 0.899 347 A HN 0.393 nan 8.150 nan 0.000 0.600 348 V N 1.199 121.126 119.914 0.022 0.000 2.585 348 V HA 0.010 4.130 4.120 -0.000 0.000 0.296 348 V C 0.465 176.569 176.094 0.017 0.000 1.035 348 V CA -0.261 62.066 62.300 0.045 0.000 1.084 348 V CB 0.908 32.767 31.823 0.061 0.000 0.953 348 V HN 0.579 nan 8.190 nan 0.000 0.483 349 D N 8.005 128.419 120.400 0.022 0.000 2.352 349 D HA 0.188 4.828 4.640 -0.000 0.000 0.245 349 D C -1.154 175.144 176.300 -0.003 0.000 1.224 349 D CA -2.108 51.892 54.000 0.000 0.000 0.879 349 D CB 1.759 42.558 40.800 -0.001 0.000 1.057 349 D HN 0.268 nan 8.370 nan 0.000 0.491 350 P HA -0.079 nan 4.420 nan 0.000 0.223 350 P C 1.239 178.516 177.300 -0.038 0.000 1.151 350 P CA 0.623 63.705 63.100 -0.030 0.000 0.787 350 P CB 0.445 32.120 31.700 -0.042 0.000 0.788 351 L N -1.037 120.163 121.223 -0.038 0.000 2.628 351 L HA 0.205 4.545 4.340 -0.000 0.000 0.229 351 L C 1.484 178.324 176.870 -0.050 0.000 1.137 351 L CA 0.407 55.220 54.840 -0.046 0.000 0.909 351 L CB -0.195 41.835 42.059 -0.049 0.000 1.137 351 L HN -0.122 nan 8.230 nan 0.000 0.470 352 D N -1.381 118.996 120.400 -0.039 0.000 2.514 352 D HA 0.086 4.726 4.640 -0.000 0.000 0.225 352 D C 0.383 176.673 176.300 -0.017 0.000 1.159 352 D CA 0.238 54.208 54.000 -0.049 0.000 0.823 352 D CB 0.768 41.538 40.800 -0.050 0.000 1.097 352 D HN -0.063 nan 8.370 nan 0.000 0.519 353 S N -0.203 115.506 115.700 0.014 0.000 2.585 353 S HA 0.643 5.113 4.470 -0.000 0.000 0.277 353 S C 0.238 174.866 174.600 0.046 0.000 1.241 353 S CA -0.442 57.795 58.200 0.062 0.000 1.041 353 S CB 1.730 64.979 63.200 0.083 0.000 0.987 353 S HN 0.337 nan 8.310 nan 0.000 0.512 354 T N -1.372 113.229 114.554 0.079 0.000 2.812 354 T HA 0.800 5.150 4.350 -0.000 0.000 0.294 354 T C -0.875 173.877 174.700 0.087 0.000 1.159 354 T CA -0.880 61.253 62.100 0.054 0.000 1.008 354 T CB 1.734 70.620 68.868 0.030 0.000 1.289 354 T HN 0.543 nan 8.240 nan 0.000 0.514 355 S N -0.952 114.787 115.700 0.065 0.000 2.605 355 S HA 0.338 4.808 4.470 -0.000 0.000 0.279 355 S C 0.307 174.938 174.600 0.052 0.000 1.166 355 S CA -0.797 57.449 58.200 0.078 0.000 0.975 355 S CB 1.331 64.586 63.200 0.092 0.000 1.111 355 S HN 0.797 nan 8.310 nan 0.000 0.465 356 R N 2.834 123.364 120.500 0.051 0.000 2.397 356 R HA 0.047 4.387 4.340 -0.000 0.000 0.213 356 R C 0.927 177.246 176.300 0.032 0.000 1.102 356 R CA 0.778 56.900 56.100 0.037 0.000 1.040 356 R CB -0.230 30.089 30.300 0.032 0.000 0.844 356 R HN 0.571 nan 8.270 nan 0.000 0.478 357 I N -0.193 120.397 120.570 0.033 0.000 3.860 357 I HA 0.005 4.175 4.170 -0.000 0.000 0.319 357 I C 0.833 176.952 176.117 0.004 0.000 1.279 357 I CA 0.111 61.423 61.300 0.019 0.000 1.220 357 I CB -0.186 37.831 38.000 0.027 0.000 1.027 357 I HN 0.119 nan 8.210 nan 0.000 0.428 358 M N 2.144 121.753 119.600 0.015 0.000 3.705 358 M HA 0.081 4.561 4.480 -0.000 0.000 0.191 358 M C -0.482 175.919 176.300 0.169 0.000 1.570 358 M CA -0.071 55.245 55.300 0.026 0.000 1.714 358 M CB -1.345 31.252 32.600 -0.005 0.000 1.148 358 M HN -0.022 nan 8.290 nan 0.000 0.547 359 D N 1.635 122.103 120.400 0.113 0.000 2.649 359 D HA 0.434 5.074 4.640 -0.000 0.000 0.249 359 D C -2.290 173.988 176.300 -0.035 0.000 1.112 359 D CA -2.023 51.997 54.000 0.033 0.000 0.850 359 D CB 2.232 43.024 40.800 -0.012 0.000 1.399 359 D HN 0.065 nan 8.370 nan 0.000 0.503 360 P HA -0.119 nan 4.420 nan 0.000 0.216 360 P C 0.196 177.439 177.300 -0.096 0.000 1.150 360 P CA 1.291 64.252 63.100 -0.231 0.000 0.843 360 P CB 0.022 31.444 31.700 -0.465 0.000 0.787 361 N N -1.352 117.287 118.700 -0.103 0.000 2.515 361 N HA 0.071 4.811 4.740 -0.000 0.000 0.191 361 N C 1.265 176.762 175.510 -0.023 0.000 1.182 361 N CA 0.372 53.390 53.050 -0.053 0.000 0.879 361 N CB -0.263 38.192 38.487 -0.053 0.000 0.984 361 N HN 0.258 nan 8.380 nan 0.000 0.453 362 I N -1.391 119.171 120.570 -0.013 0.000 4.228 362 I HA -0.004 4.166 4.170 -0.000 0.000 0.298 362 I C 1.416 177.547 176.117 0.023 0.000 1.206 362 I CA 0.164 61.467 61.300 0.005 0.000 1.322 362 I CB 0.385 38.386 38.000 0.002 0.000 1.411 362 I HN 0.038 nan 8.210 nan 0.000 0.454 363 V N -0.903 119.021 119.914 0.016 0.000 3.647 363 V HA 0.614 4.734 4.120 -0.000 0.000 0.279 363 V C 0.791 176.965 176.094 0.132 0.000 1.314 363 V CA 0.278 62.606 62.300 0.046 0.000 1.125 363 V CB -0.733 30.961 31.823 -0.216 0.000 0.907 363 V HN 0.467 nan 8.190 nan 0.000 0.434 364 G N 1.047 109.901 108.800 0.090 0.000 2.705 364 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.686 364 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.686 364 G C 0.406 175.386 174.900 0.134 0.000 1.285 364 G CA 0.231 45.390 45.100 0.098 0.000 0.800 364 G HN 1.360 nan 8.290 nan 0.000 0.611 365 S N -0.360 115.401 115.700 0.103 0.000 2.428 365 S HA -0.034 4.436 4.470 -0.000 0.000 0.230 365 S C 1.702 176.412 174.600 0.182 0.000 1.014 365 S CA 1.649 59.932 58.200 0.139 0.000 0.957 365 S CB 0.013 63.256 63.200 0.071 0.000 0.784 365 S HN 0.862 nan 8.310 nan 0.000 0.499 366 E N 1.127 121.417 120.200 0.150 0.000 2.031 366 E HA -0.266 4.084 4.350 -0.000 0.000 0.193 366 E C 2.037 178.753 176.600 0.193 0.000 0.994 366 E CA 1.380 57.864 56.400 0.140 0.000 0.800 366 E CB -0.337 29.425 29.700 0.104 0.000 0.752 366 E HN 0.844 nan 8.360 nan 0.000 0.447 367 H N -1.462 117.663 119.070 0.093 0.000 2.293 367 H HA -0.210 4.346 4.556 -0.000 0.000 0.300 367 H C 2.133 177.508 175.328 0.079 0.000 1.082 367 H CA 1.608 57.703 56.048 0.079 0.000 1.308 367 H CB -0.123 29.686 29.762 0.077 0.000 1.375 367 H HN 0.255 nan 8.280 nan 0.000 0.495 368 Y N 1.398 121.764 120.300 0.110 0.000 2.256 368 Y HA -0.223 4.327 4.550 -0.000 0.000 0.288 368 Y C 1.520 177.445 175.900 0.041 0.000 1.155 368 Y CA 1.838 59.948 58.100 0.016 0.000 1.203 368 Y CB -0.032 38.422 38.460 -0.011 0.000 0.980 368 Y HN 0.368 nan 8.280 nan 0.000 0.530 369 D N -1.299 119.199 120.400 0.163 0.000 2.271 369 D HA -0.077 4.563 4.640 -0.000 0.000 0.206 369 D C 2.285 178.597 176.300 0.020 0.000 0.967 369 D CA 0.978 55.029 54.000 0.085 0.000 0.867 369 D CB -0.142 40.740 40.800 0.137 0.000 0.960 369 D HN 0.292 nan 8.370 nan 0.000 0.509 370 V N 1.413 121.357 119.914 0.050 0.000 2.323 370 V HA -0.138 3.982 4.120 -0.000 0.000 0.244 370 V C 2.537 178.615 176.094 -0.026 0.000 1.041 370 V CA 1.563 63.891 62.300 0.046 0.000 1.025 370 V CB -0.792 31.088 31.823 0.094 0.000 0.656 370 V HN 0.146 nan 8.190 nan 0.000 0.451 371 A N 0.514 123.313 122.820 -0.035 0.000 1.849 371 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 371 A C 2.285 179.758 177.584 -0.185 0.000 1.202 371 A CA 1.964 53.930 52.037 -0.118 0.000 0.629 371 A CB -0.575 18.340 19.000 -0.141 0.000 0.834 371 A HN 0.395 nan 8.150 nan 0.000 0.447 372 R N -0.365 119.972 120.500 -0.272 0.000 2.189 372 R HA -0.072 4.268 4.340 -0.000 0.000 0.223 372 R C 2.201 178.431 176.300 -0.116 0.000 1.092 372 R CA 1.029 56.988 56.100 -0.235 0.000 0.989 372 R CB -1.422 28.696 30.300 -0.304 0.000 0.876 372 R HN 0.589 nan 8.270 nan 0.000 0.457 373 G N 0.198 108.950 108.800 -0.081 0.000 2.394 373 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.214 373 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.214 373 G C 1.554 176.436 174.900 -0.030 0.000 1.176 373 G CA 0.487 45.569 45.100 -0.030 0.000 0.786 373 G HN 0.143 nan 8.290 nan 0.000 0.533 374 V N 0.858 120.739 119.914 -0.055 0.000 2.287 374 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 374 V C 2.971 179.030 176.094 -0.059 0.000 1.053 374 V CA 2.360 64.620 62.300 -0.067 0.000 1.027 374 V CB -0.639 31.067 31.823 -0.195 0.000 0.646 374 V HN 0.457 nan 8.190 nan 0.000 0.447 375 Q N -0.276 119.475 119.800 -0.082 0.000 2.124 375 Q HA -0.268 4.072 4.340 -0.000 0.000 0.202 375 Q C 2.357 178.336 176.000 -0.035 0.000 0.977 375 Q CA 1.767 57.532 55.803 -0.063 0.000 0.850 375 Q CB -0.285 28.403 28.738 -0.083 0.000 0.901 375 Q HN 0.587 nan 8.270 nan 0.000 0.429 376 K N 1.042 121.423 120.400 -0.033 0.000 2.057 376 K HA -0.142 4.178 4.320 -0.000 0.000 0.207 376 K C 1.975 178.579 176.600 0.007 0.000 1.049 376 K CA 0.960 57.238 56.287 -0.014 0.000 0.931 376 K CB -0.086 32.406 32.500 -0.013 0.000 0.714 376 K HN 0.202 nan 8.250 nan 0.000 0.440 377 I N 0.928 121.506 120.570 0.013 0.000 2.353 377 I HA -0.232 3.938 4.170 -0.000 0.000 0.248 377 I C 1.733 177.893 176.117 0.072 0.000 1.119 377 I CA 0.900 62.220 61.300 0.034 0.000 1.417 377 I CB 0.145 38.159 38.000 0.024 0.000 1.078 377 I HN 0.202 nan 8.210 nan 0.000 0.421 378 L N 0.029 121.290 121.223 0.063 0.000 2.217 378 L HA -0.174 4.166 4.340 -0.000 0.000 0.211 378 L C 2.472 179.380 176.870 0.063 0.000 1.107 378 L CA 0.692 55.593 54.840 0.102 0.000 0.783 378 L CB -0.579 41.516 42.059 0.060 0.000 0.919 378 L HN 0.281 nan 8.230 nan 0.000 0.442 379 Q N 0.486 120.301 119.800 0.025 0.000 2.079 379 Q HA -0.191 4.149 4.340 -0.000 0.000 0.200 379 Q C 1.693 177.703 176.000 0.016 0.000 0.974 379 Q CA 1.694 57.497 55.803 0.000 0.000 0.840 379 Q CB -0.049 28.682 28.738 -0.012 0.000 0.898 379 Q HN 0.351 nan 8.270 nan 0.000 0.430 380 D N -0.882 119.545 120.400 0.045 0.000 2.117 380 D HA -0.162 4.478 4.640 -0.000 0.000 0.197 380 D C 1.545 177.914 176.300 0.115 0.000 0.987 380 D CA 1.088 55.123 54.000 0.059 0.000 0.829 380 D CB -0.442 40.391 40.800 0.055 0.000 0.961 380 D HN 0.329 nan 8.370 nan 0.000 0.460 381 Y N 1.972 122.265 120.300 -0.012 0.000 2.181 381 Y HA -0.169 4.381 4.550 -0.000 0.000 0.288 381 Y C 2.158 178.052 175.900 -0.012 0.000 1.146 381 Y CA 1.421 59.515 58.100 -0.010 0.000 1.164 381 Y CB -0.430 38.024 38.460 -0.010 0.000 0.982 381 Y HN -0.169 nan 8.280 nan 0.000 0.515 382 K N 0.058 120.382 120.400 -0.127 0.000 2.074 382 K HA -0.186 4.134 4.320 -0.000 0.000 0.209 382 K C 2.235 178.759 176.600 -0.127 0.000 1.048 382 K CA 2.155 58.310 56.287 -0.219 0.000 0.926 382 K CB -0.254 32.166 32.500 -0.134 0.000 0.713 382 K HN 0.491 nan 8.250 nan 0.000 0.444 383 S N 0.444 116.115 115.700 -0.049 0.000 2.406 383 S HA -0.065 4.405 4.470 -0.000 0.000 0.228 383 S C 1.942 176.535 174.600 -0.012 0.000 1.020 383 S CA 0.708 58.890 58.200 -0.030 0.000 0.965 383 S CB -0.380 62.813 63.200 -0.013 0.000 0.798 383 S HN 0.250 nan 8.310 nan 0.000 0.488 384 L N 1.042 122.280 121.223 0.024 0.000 2.201 384 L HA -0.080 4.260 4.340 -0.000 0.000 0.212 384 L C 2.947 179.835 176.870 0.029 0.000 1.105 384 L CA 1.042 55.913 54.840 0.052 0.000 0.775 384 L CB -0.650 41.483 42.059 0.123 0.000 0.913 384 L HN 0.361 nan 8.230 nan 0.000 0.440 385 Q N 0.011 119.792 119.800 -0.032 0.000 2.217 385 Q HA -0.300 4.040 4.340 -0.000 0.000 0.209 385 Q C 1.671 177.648 176.000 -0.037 0.000 0.988 385 Q CA 2.141 57.902 55.803 -0.069 0.000 0.878 385 Q CB -0.091 28.515 28.738 -0.219 0.000 0.909 385 Q HN 0.469 nan 8.270 nan 0.000 0.424 386 D N -0.376 120.004 120.400 -0.034 0.000 2.084 386 D HA -0.156 4.484 4.640 -0.000 0.000 0.194 386 D C 1.551 177.847 176.300 -0.007 0.000 0.990 386 D CA 1.316 55.303 54.000 -0.023 0.000 0.826 386 D CB 0.056 40.843 40.800 -0.022 0.000 0.971 386 D HN 0.214 nan 8.370 nan 0.000 0.453 387 I N 0.420 120.991 120.570 0.002 0.000 2.202 387 I HA -0.189 3.981 4.170 -0.000 0.000 0.242 387 I C 1.953 178.080 176.117 0.018 0.000 1.091 387 I CA 0.475 61.781 61.300 0.010 0.000 1.368 387 I CB -0.351 37.658 38.000 0.015 0.000 1.058 387 I HN 0.067 nan 8.210 nan 0.000 0.410 388 I N 1.724 122.312 120.570 0.030 0.000 2.248 388 I HA -0.311 3.859 4.170 -0.000 0.000 0.248 388 I C 2.808 178.942 176.117 0.029 0.000 1.107 388 I CA 1.719 63.045 61.300 0.044 0.000 1.373 388 I CB -1.861 36.188 38.000 0.083 0.000 1.055 388 I HN 0.247 nan 8.210 nan 0.000 0.418 389 A N 0.702 123.531 122.820 0.016 0.000 1.972 389 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 389 A C 2.188 179.776 177.584 0.006 0.000 1.169 389 A CA 1.434 53.475 52.037 0.007 0.000 0.635 389 A CB -0.311 18.685 19.000 -0.006 0.000 0.810 389 A HN 0.320 nan 8.150 nan 0.000 0.446 390 I N -1.357 119.217 120.570 0.007 0.000 2.947 390 I HA 0.094 4.264 4.170 -0.000 0.000 0.263 390 I C 1.851 177.973 176.117 0.008 0.000 1.130 390 I CA 0.787 62.091 61.300 0.005 0.000 1.448 390 I CB -1.123 36.879 38.000 0.003 0.000 1.222 390 I HN 0.202 nan 8.210 nan 0.000 0.453 391 L N 0.256 121.486 121.223 0.010 0.000 2.640 391 L HA 0.363 4.703 4.340 -0.000 0.000 0.230 391 L C 1.202 178.081 176.870 0.015 0.000 1.123 391 L CA 0.251 55.098 54.840 0.012 0.000 0.900 391 L CB -0.402 41.664 42.059 0.011 0.000 1.146 391 L HN 0.418 nan 8.230 nan 0.000 0.484 392 G N 0.777 109.589 108.800 0.020 0.000 2.601 392 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.252 392 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.252 392 G C 0.327 175.243 174.900 0.027 0.000 1.294 392 G CA 0.346 45.461 45.100 0.024 0.000 0.912 392 G HN 0.115 nan 8.290 nan 0.000 0.574 393 M N 0.288 119.902 119.600 0.024 0.000 2.501 393 M HA 0.102 4.582 4.480 -0.000 0.000 0.261 393 M C 2.056 178.365 176.300 0.015 0.000 1.129 393 M CA 1.085 56.398 55.300 0.021 0.000 1.126 393 M CB -0.176 32.433 32.600 0.015 0.000 1.359 393 M HN 0.588 nan 8.290 nan 0.000 0.471 394 D N 0.993 121.400 120.400 0.012 0.000 2.230 394 D HA -0.246 4.394 4.640 -0.000 0.000 0.189 394 D C 1.463 177.768 176.300 0.009 0.000 1.006 394 D CA 1.703 55.709 54.000 0.010 0.000 0.853 394 D CB -0.392 40.414 40.800 0.009 0.000 0.959 394 D HN 0.282 nan 8.370 nan 0.000 0.449 395 E N 0.064 120.271 120.200 0.010 0.000 2.472 395 E HA 0.053 4.403 4.350 -0.000 0.000 0.200 395 E C 0.426 177.033 176.600 0.011 0.000 1.046 395 E CA -0.080 56.326 56.400 0.010 0.000 0.871 395 E CB -0.125 29.580 29.700 0.010 0.000 0.806 395 E HN 0.330 nan 8.360 nan 0.000 0.533 396 L N 0.734 121.964 121.223 0.013 0.000 2.439 396 L HA 0.064 4.404 4.340 -0.000 0.000 0.269 396 L C 0.841 177.716 176.870 0.009 0.000 1.179 396 L CA -0.250 54.598 54.840 0.013 0.000 0.828 396 L CB 0.796 42.865 42.059 0.015 0.000 1.106 396 L HN 0.060 nan 8.230 nan 0.000 0.467 397 S N 1.282 116.987 115.700 0.009 0.000 2.579 397 S HA -0.027 4.443 4.470 -0.000 0.000 0.275 397 S C 0.961 175.564 174.600 0.004 0.000 1.345 397 S CA -0.396 57.808 58.200 0.006 0.000 1.031 397 S CB 1.230 64.434 63.200 0.007 0.000 0.892 397 S HN 0.651 nan 8.310 nan 0.000 0.529 398 E N 1.798 122.000 120.200 0.003 0.000 2.118 398 E HA -0.154 4.196 4.350 -0.000 0.000 0.195 398 E C 1.847 178.446 176.600 -0.001 0.000 0.992 398 E CA 1.993 58.393 56.400 0.001 0.000 0.804 398 E CB -0.198 29.503 29.700 0.001 0.000 0.741 398 E HN 0.870 nan 8.360 nan 0.000 0.458 399 E N -0.285 119.915 120.200 0.000 0.000 2.047 399 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 399 E C 1.448 178.047 176.600 -0.002 0.000 0.987 399 E CA 1.229 57.629 56.400 -0.000 0.000 0.799 399 E CB 0.004 29.705 29.700 0.002 0.000 0.752 399 E HN 0.192 nan 8.360 nan 0.000 0.449 400 D N 0.526 120.927 120.400 0.002 0.000 2.144 400 D HA -0.138 4.502 4.640 -0.000 0.000 0.199 400 D C 1.685 177.981 176.300 -0.007 0.000 0.984 400 D CA 1.060 55.064 54.000 0.006 0.000 0.834 400 D CB -0.006 40.803 40.800 0.016 0.000 0.955 400 D HN 0.149 nan 8.370 nan 0.000 0.465 401 K N 0.017 120.411 120.400 -0.010 0.000 2.280 401 K HA -0.099 4.221 4.320 -0.000 0.000 0.202 401 K C 1.873 178.448 176.600 -0.042 0.000 1.047 401 K CA 0.230 56.502 56.287 -0.025 0.000 0.942 401 K CB 0.060 32.552 32.500 -0.015 0.000 0.739 401 K HN 0.058 nan 8.250 nan 0.000 0.457 402 L N 0.952 122.156 121.223 -0.031 0.000 2.270 402 L HA -0.095 4.245 4.340 -0.000 0.000 0.210 402 L C 2.399 179.236 176.870 -0.055 0.000 1.104 402 L CA 1.616 56.435 54.840 -0.036 0.000 0.804 402 L CB -0.569 41.479 42.059 -0.019 0.000 0.937 402 L HN 0.259 nan 8.230 nan 0.000 0.450 403 T N -3.768 110.757 114.554 -0.049 0.000 2.737 403 T HA -0.138 4.212 4.350 -0.000 0.000 0.265 403 T C 1.857 176.474 174.700 -0.139 0.000 1.038 403 T CA 1.572 63.639 62.100 -0.056 0.000 1.144 403 T CB -0.971 67.889 68.868 -0.013 0.000 0.866 403 T HN 0.086 nan 8.240 nan 0.000 0.434 404 V N 2.428 122.238 119.914 -0.174 0.000 2.282 404 V HA -0.218 3.902 4.120 -0.000 0.000 0.249 404 V C 3.125 179.009 176.094 -0.350 0.000 1.057 404 V CA 2.314 64.389 62.300 -0.376 0.000 1.032 404 V CB -1.253 30.425 31.823 -0.242 0.000 0.645 404 V HN 0.619 nan 8.190 nan 0.000 0.447 405 S N -0.105 115.480 115.700 -0.191 0.000 2.351 405 S HA -0.248 4.222 4.470 -0.000 0.000 0.220 405 S C 2.080 176.578 174.600 -0.170 0.000 1.035 405 S CA 1.741 59.853 58.200 -0.147 0.000 1.031 405 S CB -0.436 62.716 63.200 -0.080 0.000 0.928 405 S HN 0.509 nan 8.310 nan 0.000 0.433 406 R N 1.243 121.656 120.500 -0.146 0.000 2.091 406 R HA -0.032 4.308 4.340 -0.000 0.000 0.238 406 R C 2.622 178.837 176.300 -0.141 0.000 1.136 406 R CA 1.284 57.301 56.100 -0.138 0.000 0.959 406 R CB -0.602 29.650 30.300 -0.080 0.000 0.856 406 R HN 0.460 nan 8.270 nan 0.000 0.437 407 A N 0.982 123.702 122.820 -0.167 0.000 1.902 407 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 407 A C 2.004 179.518 177.584 -0.117 0.000 1.181 407 A CA 1.292 53.254 52.037 -0.125 0.000 0.623 407 A CB -0.333 18.549 19.000 -0.196 0.000 0.818 407 A HN 0.237 nan 8.150 nan 0.000 0.443 408 R N -0.443 119.912 120.500 -0.241 0.000 2.189 408 R HA -0.017 4.323 4.340 -0.000 0.000 0.218 408 R C 1.852 178.108 176.300 -0.072 0.000 1.074 408 R CA 1.283 57.310 56.100 -0.122 0.000 0.991 408 R CB -0.128 30.080 30.300 -0.154 0.000 0.883 408 R HN 0.492 nan 8.270 nan 0.000 0.457 409 K N 0.095 120.386 120.400 -0.182 0.000 2.211 409 K HA 0.069 4.389 4.320 -0.000 0.000 0.201 409 K C 1.862 178.283 176.600 -0.297 0.000 1.052 409 K CA 0.616 56.662 56.287 -0.402 0.000 0.973 409 K CB 0.204 32.215 32.500 -0.815 0.000 0.766 409 K HN 0.085 nan 8.250 nan 0.000 0.466 410 I N 1.273 121.790 120.570 -0.087 0.000 2.286 410 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 410 I C 2.640 178.910 176.117 0.255 0.000 1.104 410 I CA 1.113 62.528 61.300 0.191 0.000 1.397 410 I CB 0.024 38.143 38.000 0.198 0.000 1.072 410 I HN 0.194 nan 8.210 nan 0.000 0.417 411 Q N 0.508 120.395 119.800 0.144 0.000 2.061 411 Q HA -0.249 4.091 4.340 -0.000 0.000 0.204 411 Q C 2.370 178.467 176.000 0.162 0.000 0.984 411 Q CA 1.770 57.659 55.803 0.143 0.000 0.846 411 Q CB 0.056 28.878 28.738 0.140 0.000 0.902 411 Q HN 0.364 nan 8.270 nan 0.000 0.421 412 R N -0.780 119.825 120.500 0.176 0.000 2.075 412 R HA -0.111 4.229 4.340 -0.000 0.000 0.232 412 R C 1.983 178.432 176.300 0.248 0.000 1.126 412 R CA 1.241 57.489 56.100 0.248 0.000 0.963 412 R CB -0.300 30.186 30.300 0.310 0.000 0.858 412 R HN 0.214 nan 8.270 nan 0.000 0.435 413 F N 1.059 121.060 119.950 0.085 0.000 2.494 413 F HA -0.060 4.467 4.527 -0.000 0.000 0.298 413 F C 1.380 177.272 175.800 0.154 0.000 1.106 413 F CA 1.010 59.031 58.000 0.035 0.000 1.452 413 F CB 0.051 38.927 39.000 -0.207 0.000 1.085 413 F HN -0.034 nan 8.300 nan 0.000 0.569 414 L N -0.575 120.758 121.223 0.182 0.000 2.395 414 L HA -0.020 4.320 4.340 -0.000 0.000 0.218 414 L C 1.470 178.311 176.870 -0.048 0.000 1.130 414 L CA 0.344 55.251 54.840 0.113 0.000 0.826 414 L CB -0.748 41.375 42.059 0.107 0.000 0.941 414 L HN 0.113 nan 8.230 nan 0.000 0.451 415 S N -0.183 115.464 115.700 -0.087 0.000 2.632 415 S HA 0.432 4.902 4.470 -0.000 0.000 0.267 415 S C -0.351 174.099 174.600 -0.250 0.000 1.276 415 S CA -0.540 57.554 58.200 -0.176 0.000 0.998 415 S CB 1.900 64.959 63.200 -0.235 0.000 0.953 415 S HN 0.288 nan 8.310 nan 0.000 0.547 416 Q N 0.018 119.646 119.800 -0.287 0.000 2.617 416 Q HA 0.356 4.696 4.340 -0.000 0.000 0.270 416 Q C -3.321 172.512 176.000 -0.278 0.000 0.967 416 Q CA -1.659 53.995 55.803 -0.248 0.000 0.887 416 Q CB 2.015 30.674 28.738 -0.132 0.000 1.516 416 Q HN 0.532 nan 8.270 nan 0.000 0.395 417 P HA 0.287 nan 4.420 nan 0.000 0.282 417 P C -1.110 176.275 177.300 0.141 0.000 1.262 417 P CA -0.110 62.938 63.100 -0.087 0.000 0.773 417 P CB 0.215 31.889 31.700 -0.043 0.000 0.879 418 F N 1.698 121.653 119.950 0.009 0.000 2.399 418 F HA 0.280 4.807 4.527 -0.000 0.000 0.334 418 F C 2.126 177.944 175.800 0.029 0.000 1.097 418 F CA -1.140 56.871 58.000 0.019 0.000 1.076 418 F CB 1.075 40.091 39.000 0.027 0.000 1.162 418 F HN 0.437 nan 8.300 nan 0.000 0.495 419 Q N 1.694 121.606 119.800 0.188 0.000 2.002 419 Q HA -0.132 4.208 4.340 -0.000 0.000 0.204 419 Q C 1.453 177.525 176.000 0.119 0.000 0.988 419 Q CA 2.503 58.371 55.803 0.108 0.000 0.843 419 Q CB -0.178 28.590 28.738 0.051 0.000 0.908 419 Q HN 0.525 nan 8.270 nan 0.000 0.420 420 V N 0.940 120.926 119.914 0.120 0.000 2.636 420 V HA -0.260 3.860 4.120 -0.000 0.000 0.258 420 V C 1.849 178.061 176.094 0.196 0.000 1.092 420 V CA 1.779 64.155 62.300 0.127 0.000 1.110 420 V CB -0.833 31.048 31.823 0.096 0.000 0.685 420 V HN 0.535 nan 8.190 nan 0.000 0.481 421 A N -1.375 121.596 122.820 0.251 0.000 2.535 421 A HA 0.244 4.564 4.320 -0.000 0.000 0.273 421 A C 1.689 179.399 177.584 0.210 0.000 1.267 421 A CA -0.114 52.090 52.037 0.278 0.000 0.940 421 A CB -0.131 18.980 19.000 0.185 0.000 1.101 421 A HN 0.508 nan 8.150 nan 0.000 0.521 422 E N -0.057 120.222 120.200 0.131 0.000 2.085 422 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 422 E C 1.607 178.213 176.600 0.009 0.000 0.994 422 E CA 1.660 58.107 56.400 0.079 0.000 0.801 422 E CB -0.242 29.490 29.700 0.053 0.000 0.743 422 E HN 0.468 nan 8.360 nan 0.000 0.453 423 V N 0.245 120.098 119.914 -0.100 0.000 2.828 423 V HA -0.218 3.902 4.120 -0.000 0.000 0.260 423 V C 1.461 177.328 176.094 -0.377 0.000 1.101 423 V CA 1.546 63.667 62.300 -0.299 0.000 1.123 423 V CB -0.618 30.864 31.823 -0.568 0.000 0.704 423 V HN 0.196 nan 8.190 nan 0.000 0.493 424 F N 0.161 120.107 119.950 -0.006 0.000 2.637 424 F HA 0.066 4.593 4.527 0.000 0.000 0.284 424 F C 2.544 178.352 175.800 0.014 0.000 1.105 424 F CA 0.899 58.889 58.000 -0.017 0.000 1.356 424 F CB -0.655 38.304 39.000 -0.068 0.000 1.096 424 F HN 0.153 nan 8.300 nan 0.000 0.616 425 T N -2.765 111.920 114.554 0.218 0.000 3.023 425 T HA 0.249 4.599 4.350 -0.000 0.000 0.266 425 T C 1.949 176.798 174.700 0.247 0.000 1.093 425 T CA 0.899 63.152 62.100 0.256 0.000 1.129 425 T CB -0.344 68.670 68.868 0.242 0.000 0.899 425 T HN 0.468 nan 8.240 nan 0.000 0.491 426 G N 1.002 109.855 108.800 0.088 0.000 2.148 426 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.254 426 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.254 426 G C -0.147 174.644 174.900 -0.180 0.000 0.981 426 G CA 0.428 45.482 45.100 -0.076 0.000 0.670 426 G HN 0.846 nan 8.290 nan 0.000 0.528 427 H N -1.797 117.289 119.070 0.027 0.000 2.865 427 H HA 0.670 5.226 4.556 -0.000 0.000 0.372 427 H C -0.092 175.248 175.328 0.021 0.000 1.173 427 H CA -0.998 55.063 56.048 0.021 0.000 1.147 427 H CB 1.436 31.209 29.762 0.018 0.000 1.805 427 H HN 0.199 nan 8.280 nan 0.000 0.553 428 L N 1.686 123.006 121.223 0.162 0.000 2.410 428 L HA 0.302 4.642 4.340 -0.000 0.000 0.273 428 L C 0.904 177.829 176.870 0.092 0.000 1.144 428 L CA 0.282 55.180 54.840 0.096 0.000 0.863 428 L CB 0.204 42.304 42.059 0.068 0.000 1.140 428 L HN 0.885 nan 8.230 nan 0.000 0.463 429 G N 4.335 113.187 108.800 0.088 0.000 2.414 429 G HA2 0.159 4.119 3.960 -0.000 0.000 0.236 429 G HA3 0.159 4.119 3.960 -0.000 0.000 0.236 429 G C -0.441 174.504 174.900 0.075 0.000 1.293 429 G CA -0.436 44.725 45.100 0.101 0.000 0.869 429 G HN 0.482 nan 8.290 nan 0.000 0.556 430 K N 0.511 120.959 120.400 0.081 0.000 2.318 430 K HA 0.494 4.814 4.320 -0.000 0.000 0.249 430 K C -1.278 175.358 176.600 0.059 0.000 0.942 430 K CA -1.075 55.243 56.287 0.053 0.000 0.808 430 K CB 2.506 35.022 32.500 0.026 0.000 1.189 430 K HN 0.292 nan 8.250 nan 0.000 0.428 431 L N 2.532 123.777 121.223 0.036 0.000 2.345 431 L HA 0.352 4.692 4.340 -0.000 0.000 0.274 431 L C -1.291 175.592 176.870 0.021 0.000 0.999 431 L CA -0.728 54.127 54.840 0.025 0.000 0.849 431 L CB 1.568 43.637 42.059 0.015 0.000 1.220 431 L HN 0.281 nan 8.230 nan 0.000 0.422 432 V N 6.962 126.887 119.914 0.017 0.000 2.407 432 V HA 0.508 4.628 4.120 -0.000 0.000 0.278 432 V C -1.992 174.113 176.094 0.018 0.000 1.037 432 V CA -1.569 60.742 62.300 0.019 0.000 0.900 432 V CB 1.272 33.101 31.823 0.010 0.000 0.983 432 V HN 0.664 nan 8.190 nan 0.000 0.459 433 P HA 0.127 nan 4.420 nan 0.000 0.271 433 P C 0.708 178.018 177.300 0.017 0.000 1.216 433 P CA -0.406 62.706 63.100 0.020 0.000 0.776 433 P CB 0.827 32.541 31.700 0.023 0.000 0.881 434 L N 4.718 125.943 121.223 0.004 0.000 1.991 434 L HA -0.267 4.073 4.340 -0.000 0.000 0.221 434 L C 2.227 179.079 176.870 -0.029 0.000 1.079 434 L CA 2.348 57.173 54.840 -0.025 0.000 0.778 434 L CB -1.308 40.733 42.059 -0.029 0.000 0.893 434 L HN 0.470 nan 8.230 nan 0.000 0.437 435 K N -1.651 118.745 120.400 -0.007 0.000 2.211 435 K HA -0.177 4.143 4.320 -0.000 0.000 0.204 435 K C 1.624 178.244 176.600 0.035 0.000 1.047 435 K CA 1.582 57.873 56.287 0.006 0.000 0.935 435 K CB -0.428 32.083 32.500 0.018 0.000 0.728 435 K HN 0.351 nan 8.250 nan 0.000 0.452 436 E N 0.829 121.057 120.200 0.047 0.000 2.152 436 E HA -0.068 4.282 4.350 -0.000 0.000 0.192 436 E C 1.889 178.565 176.600 0.127 0.000 0.983 436 E CA 1.338 57.784 56.400 0.077 0.000 0.818 436 E CB -0.226 29.515 29.700 0.070 0.000 0.758 436 E HN 0.442 nan 8.360 nan 0.000 0.467 437 T N 2.153 116.778 114.554 0.119 0.000 2.770 437 T HA -0.025 4.325 4.350 -0.000 0.000 0.258 437 T C 2.031 176.894 174.700 0.273 0.000 1.039 437 T CA 0.595 62.826 62.100 0.218 0.000 1.143 437 T CB -0.038 68.911 68.868 0.136 0.000 0.866 437 T HN 0.049 nan 8.240 nan 0.000 0.428 438 I N 1.740 122.366 120.570 0.094 0.000 2.151 438 I HA -0.206 3.964 4.170 -0.000 0.000 0.243 438 I C 2.439 178.647 176.117 0.153 0.000 1.080 438 I CA 1.652 62.994 61.300 0.069 0.000 1.339 438 I CB -1.088 36.889 38.000 -0.039 0.000 1.039 438 I HN 0.287 nan 8.210 nan 0.000 0.409 439 K N 1.220 121.692 120.400 0.119 0.000 1.969 439 K HA -0.169 4.151 4.320 -0.000 0.000 0.216 439 K C 2.249 178.923 176.600 0.123 0.000 1.048 439 K CA 1.964 58.316 56.287 0.108 0.000 0.948 439 K CB -0.660 31.889 32.500 0.082 0.000 0.726 439 K HN 0.322 nan 8.250 nan 0.000 0.442 440 G N 0.388 109.256 108.800 0.113 0.000 2.545 440 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.222 440 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.222 440 G C 1.301 176.137 174.900 -0.105 0.000 1.126 440 G CA 1.199 46.284 45.100 -0.026 0.000 0.754 440 G HN 0.311 nan 8.290 nan 0.000 0.583 441 F N 0.611 120.668 119.950 0.179 0.000 2.293 441 F HA 0.088 4.615 4.527 -0.000 0.000 0.297 441 F C 2.997 178.840 175.800 0.072 0.000 1.089 441 F CA 1.125 59.209 58.000 0.139 0.000 1.377 441 F CB -0.348 38.743 39.000 0.152 0.000 1.051 441 F HN 0.176 nan 8.300 nan 0.000 0.511 442 Q N 0.110 120.042 119.800 0.219 0.000 1.975 442 Q HA -0.296 4.044 4.340 -0.000 0.000 0.205 442 Q C 2.201 178.252 176.000 0.085 0.000 0.990 442 Q CA 2.182 58.063 55.803 0.130 0.000 0.845 442 Q CB -0.516 28.278 28.738 0.094 0.000 0.913 442 Q HN 0.463 nan 8.270 nan 0.000 0.420 443 Q N 0.303 120.143 119.800 0.066 0.000 2.118 443 Q HA -0.230 4.110 4.340 -0.000 0.000 0.211 443 Q C 2.138 178.157 176.000 0.031 0.000 0.998 443 Q CA 1.793 57.606 55.803 0.017 0.000 0.872 443 Q CB -0.422 28.349 28.738 0.054 0.000 0.925 443 Q HN 0.446 nan 8.270 nan 0.000 0.414 444 I N 0.434 121.052 120.570 0.079 0.000 2.163 444 I HA -0.322 3.848 4.170 -0.000 0.000 0.243 444 I C 2.327 178.455 176.117 0.018 0.000 1.085 444 I CA 1.185 62.504 61.300 0.032 0.000 1.347 444 I CB -0.446 37.492 38.000 -0.104 0.000 1.044 444 I HN 0.244 nan 8.210 nan 0.000 0.408 445 L N 0.728 121.985 121.223 0.057 0.000 2.012 445 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 445 L C 2.631 179.512 176.870 0.018 0.000 1.073 445 L CA 1.507 56.375 54.840 0.047 0.000 0.748 445 L CB -0.620 41.483 42.059 0.073 0.000 0.891 445 L HN 0.270 nan 8.230 nan 0.000 0.431 446 A N -0.427 122.401 122.820 0.013 0.000 2.248 446 A HA 0.111 4.431 4.320 -0.000 0.000 0.210 446 A C 1.666 179.234 177.584 -0.027 0.000 1.174 446 A CA 0.870 52.903 52.037 -0.008 0.000 0.750 446 A CB -0.841 18.150 19.000 -0.015 0.000 0.780 446 A HN 0.638 nan 8.150 nan 0.000 0.478 447 G N -0.694 108.091 108.800 -0.025 0.000 2.153 447 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.252 447 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.252 447 G C 0.366 175.235 174.900 -0.051 0.000 0.994 447 G CA 0.568 45.655 45.100 -0.022 0.000 0.698 447 G HN 0.669 nan 8.290 nan 0.000 0.521 448 E N -1.165 118.943 120.200 -0.154 0.000 2.511 448 E HA 0.148 4.498 4.350 -0.000 0.000 0.196 448 E C 0.404 176.695 176.600 -0.515 0.000 1.066 448 E CA 0.412 56.604 56.400 -0.348 0.000 0.871 448 E CB 0.081 29.468 29.700 -0.521 0.000 0.863 448 E HN 0.710 nan 8.360 nan 0.000 0.520 449 Y N -0.903 119.434 120.300 0.063 0.000 2.809 449 Y HA 0.122 4.672 4.550 0.000 0.000 0.251 449 Y C 0.433 176.252 175.900 -0.135 0.000 1.136 449 Y CA -0.821 57.214 58.100 -0.108 0.000 1.185 449 Y CB 0.485 38.954 38.460 0.015 0.000 1.260 449 Y HN -0.075 nan 8.280 nan 0.000 0.576 450 D N -0.301 120.170 120.400 0.119 0.000 2.351 450 D HA -0.148 4.492 4.640 -0.000 0.000 0.216 450 D C 1.978 178.345 176.300 0.113 0.000 0.968 450 D CA 1.324 55.378 54.000 0.091 0.000 0.899 450 D CB -0.070 40.776 40.800 0.076 0.000 0.907 450 D HN 0.600 nan 8.370 nan 0.000 0.514 451 H N -0.658 118.479 119.070 0.112 0.000 2.465 451 H HA 0.114 4.670 4.556 -0.000 0.000 0.289 451 H C 1.082 176.472 175.328 0.104 0.000 1.022 451 H CA -0.079 56.021 56.048 0.086 0.000 1.340 451 H CB -0.390 29.410 29.762 0.063 0.000 1.437 451 H HN 0.078 nan 8.280 nan 0.000 0.539 452 L N 2.910 123.931 121.223 -0.338 0.000 2.473 452 L HA 0.177 4.517 4.340 -0.000 0.000 0.268 452 L C -1.974 174.917 176.870 0.035 0.000 1.215 452 L CA -1.796 52.945 54.840 -0.165 0.000 0.823 452 L CB 0.177 42.040 42.059 -0.326 0.000 1.099 452 L HN 0.132 nan 8.230 nan 0.000 0.483 453 P HA 0.176 nan 4.420 nan 0.000 0.281 453 P C -0.182 177.226 177.300 0.179 0.000 1.249 453 P CA -0.542 62.598 63.100 0.066 0.000 0.810 453 P CB 0.903 32.610 31.700 0.011 0.000 1.008 454 E N 0.744 121.071 120.200 0.211 0.000 2.033 454 E HA -0.256 4.094 4.350 -0.000 0.000 0.199 454 E C 1.887 178.671 176.600 0.307 0.000 1.011 454 E CA 1.306 57.895 56.400 0.316 0.000 0.815 454 E CB -0.297 29.488 29.700 0.142 0.000 0.755 454 E HN 0.523 nan 8.360 nan 0.000 0.451 455 Q N 0.515 120.394 119.800 0.131 0.000 2.325 455 Q HA -0.207 4.133 4.340 -0.000 0.000 0.211 455 Q C 2.052 178.087 176.000 0.058 0.000 0.988 455 Q CA 1.530 57.386 55.803 0.089 0.000 0.887 455 Q CB -0.573 28.181 28.738 0.027 0.000 0.915 455 Q HN 0.288 nan 8.270 nan 0.000 0.440 456 A N 0.569 123.339 122.820 -0.082 0.000 1.969 456 A HA -0.053 4.267 4.320 -0.000 0.000 0.218 456 A C 1.712 179.092 177.584 -0.340 0.000 1.169 456 A CA 0.939 52.789 52.037 -0.312 0.000 0.635 456 A CB -0.642 17.993 19.000 -0.609 0.000 0.810 456 A HN 0.314 nan 8.150 nan 0.000 0.445 457 F N -2.201 117.754 119.950 0.007 0.000 2.416 457 F HA 0.116 4.643 4.527 0.000 0.000 0.296 457 F C 1.044 176.934 175.800 0.151 0.000 1.099 457 F CA -0.063 57.973 58.000 0.059 0.000 1.427 457 F CB -0.594 38.428 39.000 0.037 0.000 1.079 457 F HN 0.264 nan 8.300 nan 0.000 0.536 458 Y N 1.836 122.238 120.300 0.170 0.000 2.610 458 Y HA 0.111 4.661 4.550 -0.000 0.000 0.332 458 Y C 0.775 176.674 175.900 -0.002 0.000 1.201 458 Y CA -0.971 57.182 58.100 0.088 0.000 1.465 458 Y CB 0.213 38.714 38.460 0.069 0.000 1.283 458 Y HN 0.009 nan 8.280 nan 0.000 0.563 459 M N 5.866 125.071 119.600 -0.659 0.000 2.852 459 M HA -0.166 4.314 4.480 -0.000 0.000 0.176 459 M C -1.240 174.844 176.300 -0.360 0.000 1.160 459 M CA 1.127 56.037 55.300 -0.650 0.000 0.702 459 M CB -2.381 29.686 32.600 -0.888 0.000 1.193 459 M HN 0.533 nan 8.290 nan 0.000 0.775 460 V N -1.883 117.912 119.914 -0.199 0.000 3.182 460 V HA 1.084 5.204 4.120 -0.000 0.000 0.308 460 V C 0.439 176.491 176.094 -0.071 0.000 1.240 460 V CA -0.062 62.188 62.300 -0.084 0.000 1.063 460 V CB 1.795 33.631 31.823 0.023 0.000 1.076 460 V HN 0.500 nan 8.190 nan 0.000 0.446 461 G N 0.017 108.811 108.800 -0.011 0.000 2.992 461 G HA2 0.502 4.462 3.960 -0.000 0.000 0.195 461 G HA3 0.502 4.462 3.960 -0.000 0.000 0.195 461 G C -2.281 172.663 174.900 0.074 0.000 2.032 461 G CA -0.354 44.739 45.100 -0.012 0.000 0.831 461 G HN 0.788 nan 8.290 nan 0.000 0.647 462 P HA 0.089 nan 4.420 nan 0.000 0.270 462 P C 0.727 178.150 177.300 0.204 0.000 1.223 462 P CA -0.347 62.857 63.100 0.175 0.000 0.785 462 P CB 1.327 33.078 31.700 0.084 0.000 0.923 463 I N 1.535 122.173 120.570 0.115 0.000 2.286 463 I HA -0.272 3.898 4.170 -0.000 0.000 0.248 463 I C 1.933 177.921 176.117 -0.215 0.000 1.115 463 I CA 1.776 62.927 61.300 -0.247 0.000 1.392 463 I CB -0.554 37.208 38.000 -0.398 0.000 1.065 463 I HN 0.301 nan 8.210 nan 0.000 0.418 464 E N 0.607 120.756 120.200 -0.086 0.000 2.171 464 E HA -0.260 4.090 4.350 -0.000 0.000 0.197 464 E C 1.979 178.526 176.600 -0.089 0.000 0.997 464 E CA 1.711 58.069 56.400 -0.070 0.000 0.810 464 E CB -0.260 29.432 29.700 -0.014 0.000 0.738 464 E HN 0.627 nan 8.360 nan 0.000 0.467 465 E N -0.056 120.105 120.200 -0.064 0.000 2.285 465 E HA -0.028 4.322 4.350 -0.000 0.000 0.194 465 E C 1.932 178.456 176.600 -0.126 0.000 0.997 465 E CA 0.679 57.043 56.400 -0.060 0.000 0.845 465 E CB 0.016 29.709 29.700 -0.012 0.000 0.782 465 E HN 0.285 nan 8.360 nan 0.000 0.491 466 A N 1.106 123.795 122.820 -0.218 0.000 1.970 466 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 466 A C 2.431 179.705 177.584 -0.516 0.000 1.170 466 A CA 0.558 52.349 52.037 -0.410 0.000 0.645 466 A CB -0.277 18.373 19.000 -0.583 0.000 0.816 466 A HN 0.083 nan 8.150 nan 0.000 0.447 467 V N -0.240 119.424 119.914 -0.417 0.000 2.323 467 V HA -0.184 3.936 4.120 -0.000 0.000 0.244 467 V C 3.045 179.032 176.094 -0.179 0.000 1.041 467 V CA 1.774 63.891 62.300 -0.305 0.000 1.025 467 V CB -1.007 30.705 31.823 -0.185 0.000 0.656 467 V HN 0.596 nan 8.190 nan 0.000 0.451 468 A N -0.001 122.737 122.820 -0.135 0.000 1.851 468 A HA -0.321 3.999 4.320 -0.000 0.000 0.216 468 A C 2.304 179.836 177.584 -0.087 0.000 1.195 468 A CA 2.456 54.444 52.037 -0.082 0.000 0.622 468 A CB -0.697 18.268 19.000 -0.057 0.000 0.831 468 A HN 0.508 nan 8.150 nan 0.000 0.444 469 K N -0.360 119.976 120.400 -0.108 0.000 2.173 469 K HA -0.201 4.119 4.320 -0.000 0.000 0.207 469 K C 2.006 178.544 176.600 -0.103 0.000 1.046 469 K CA 1.470 57.705 56.287 -0.088 0.000 0.929 469 K CB -0.336 32.109 32.500 -0.092 0.000 0.720 469 K HN 0.422 nan 8.250 nan 0.000 0.453 470 A N 1.246 123.970 122.820 -0.160 0.000 1.930 470 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 470 A C 1.584 179.126 177.584 -0.070 0.000 1.175 470 A CA 1.843 53.794 52.037 -0.143 0.000 0.627 470 A CB -0.404 18.473 19.000 -0.205 0.000 0.815 470 A HN 0.388 nan 8.150 nan 0.000 0.443 471 D N -0.354 120.012 120.400 -0.056 0.000 2.097 471 D HA -0.136 4.504 4.640 -0.000 0.000 0.197 471 D C 1.863 178.150 176.300 -0.021 0.000 0.984 471 D CA 1.538 55.521 54.000 -0.027 0.000 0.826 471 D CB -0.329 40.459 40.800 -0.021 0.000 0.973 471 D HN 0.516 nan 8.370 nan 0.000 0.460 472 K N 0.434 120.820 120.400 -0.025 0.000 2.152 472 K HA -0.070 4.250 4.320 -0.000 0.000 0.206 472 K C 1.989 178.582 176.600 -0.012 0.000 1.048 472 K CA 0.702 56.980 56.287 -0.014 0.000 0.933 472 K CB -0.038 32.456 32.500 -0.010 0.000 0.721 472 K HN 0.129 nan 8.250 nan 0.000 0.447 473 L N 0.258 121.469 121.223 -0.020 0.000 2.395 473 L HA 0.088 4.428 4.340 -0.000 0.000 0.218 473 L C 0.975 177.839 176.870 -0.010 0.000 1.130 473 L CA 0.250 55.081 54.840 -0.014 0.000 0.826 473 L CB -0.943 41.102 42.059 -0.023 0.000 0.941 473 L HN 0.310 nan 8.230 nan 0.000 0.451 474 A N 0.000 122.813 122.820 -0.011 0.000 2.254 474 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 474 A CA 0.000 52.034 52.037 -0.004 0.000 0.836 474 A CB 0.000 18.999 19.000 -0.001 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486