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_D DATA FIRST_RESID 9 DATA SEQUENCE TTGRIVAVIG AVVDVQFDEG LPPILNALEV QGRETRLVLE VAQHLGESTV DATA SEQUENCE RTIAMDGTEG LVRGQKVLDS GAPIRIPVGP ETLGRIMNVI GEPIDERGPI DATA SEQUENCE KTKQFAAIHA EAPEFVEMSV EQEILVTGIK VVDLLAPYAK GGKIGLFGGA DATA SEQUENCE GVGKTVLIME LINNVAKAHG GYSVFAGVGE RTREGNDLYH EMIESGVINL DATA SEQUENCE KDATSKVALV YGQMNEPPGA RARVALTGLT VAEYFRDQEG QDVLLFIDNI DATA SEQUENCE FRFTQAGSEV SALLGRIPSA VGYQPTLATD MGTMQERITT TKKGSITSVQ DATA SEQUENCE AIYVPADDLT DPAPATTFAH LDATTVLSRA IAELGIYPAV DPLDSTSRIM DATA SEQUENCE DPNIVGSEHY DVARGVQKIL QDYKSLQDII AILGMDELSE EDKLTVSRAR DATA SEQUENCE KIQRFLSQPF QVAEVFTGHL GKLVPLKETI KGFQQILAGE YDHLPEQAFY DATA SEQUENCE MVGPIEEAVA KADKLAE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.862 174.700 0.270 0.000 1.109 9 T CA 0.000 62.177 62.100 0.129 0.000 1.349 9 T CB 0.000 68.901 68.868 0.055 0.000 0.612 10 T N 1.288 116.025 114.554 0.305 0.000 2.840 10 T HA 0.770 5.120 4.350 -0.000 0.000 0.287 10 T C 0.415 175.083 174.700 -0.053 0.000 0.991 10 T CA -0.431 61.769 62.100 0.166 0.000 0.964 10 T CB 1.417 70.315 68.868 0.050 0.000 0.954 10 T HN 1.139 nan 8.240 nan 0.000 0.438 11 G N 1.986 110.428 108.800 -0.596 0.000 2.667 11 G HA2 0.788 4.748 3.960 -0.000 0.000 0.310 11 G HA3 0.788 4.748 3.960 -0.000 0.000 0.310 11 G C -0.915 173.647 174.900 -0.562 0.000 1.259 11 G CA -1.022 43.340 45.100 -1.231 0.000 1.019 11 G HN 0.613 nan 8.290 nan 0.000 0.496 12 R N -1.030 119.207 120.500 -0.438 0.000 2.803 12 R HA 0.462 4.802 4.340 -0.000 0.000 0.276 12 R C -0.623 175.557 176.300 -0.199 0.000 0.978 12 R CA -0.857 55.100 56.100 -0.238 0.000 0.939 12 R CB 2.436 32.642 30.300 -0.158 0.000 1.179 12 R HN 0.343 nan 8.270 nan 0.000 0.472 13 I N 2.388 122.881 120.570 -0.129 0.000 2.441 13 I HA -0.005 4.165 4.170 -0.000 0.000 0.287 13 I C 1.417 177.492 176.117 -0.071 0.000 1.049 13 I CA -0.035 61.211 61.300 -0.090 0.000 1.381 13 I CB 1.383 39.347 38.000 -0.061 0.000 1.409 13 I HN 0.562 nan 8.210 nan 0.000 0.523 14 V N 2.972 122.852 119.914 -0.058 0.000 3.570 14 V HA 0.571 4.691 4.120 -0.000 0.000 0.257 14 V C 0.554 176.631 176.094 -0.029 0.000 1.272 14 V CA 0.332 62.605 62.300 -0.044 0.000 1.079 14 V CB 0.339 32.137 31.823 -0.042 0.000 0.829 14 V HN 0.701 nan 8.190 nan 0.000 0.454 15 A N -0.051 122.755 122.820 -0.024 0.000 2.517 15 A HA 0.805 5.125 4.320 -0.000 0.000 0.297 15 A C -1.233 176.343 177.584 -0.013 0.000 1.050 15 A CA -0.375 51.653 52.037 -0.016 0.000 0.694 15 A CB 2.178 21.172 19.000 -0.011 0.000 1.277 15 A HN 0.561 nan 8.150 nan 0.000 0.400 16 V N 2.569 122.477 119.914 -0.011 0.000 2.483 16 V HA 0.580 4.700 4.120 -0.000 0.000 0.297 16 V C -0.660 175.430 176.094 -0.006 0.000 1.027 16 V CA -0.127 62.168 62.300 -0.008 0.000 0.855 16 V CB 1.352 33.170 31.823 -0.009 0.000 0.995 16 V HN 0.726 nan 8.190 nan 0.000 0.424 17 I N 4.414 124.982 120.570 -0.004 0.000 2.595 17 I HA 0.584 4.754 4.170 -0.000 0.000 0.276 17 I C 0.805 176.920 176.117 -0.004 0.000 1.109 17 I CA 0.030 61.327 61.300 -0.004 0.000 1.084 17 I CB 1.328 39.326 38.000 -0.004 0.000 1.206 17 I HN 0.906 nan 8.210 nan 0.000 0.486 18 G N 4.133 112.930 108.800 -0.004 0.000 2.528 18 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.262 18 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.262 18 G C 0.797 175.696 174.900 -0.002 0.000 1.200 18 G CA 0.313 45.410 45.100 -0.004 0.000 0.951 18 G HN 0.805 nan 8.290 nan 0.000 0.566 19 A N -0.757 122.061 122.820 -0.003 0.000 2.239 19 A HA 0.513 4.833 4.320 -0.000 0.000 0.209 19 A C 1.090 178.675 177.584 0.003 0.000 1.171 19 A CA 1.830 53.867 52.037 -0.001 0.000 0.768 19 A CB -0.155 18.843 19.000 -0.004 0.000 0.790 19 A HN 1.533 nan 8.150 nan 0.000 0.478 20 V N 0.815 120.729 119.914 0.002 0.000 2.394 20 V HA 0.419 4.539 4.120 -0.000 0.000 0.282 20 V C -0.501 175.596 176.094 0.006 0.000 1.031 20 V CA -0.440 61.863 62.300 0.005 0.000 0.881 20 V CB 1.379 33.204 31.823 0.003 0.000 0.982 20 V HN 0.068 nan 8.190 nan 0.000 0.451 21 V N 3.790 123.711 119.914 0.011 0.000 2.588 21 V HA 0.479 4.599 4.120 -0.000 0.000 0.304 21 V C -0.768 175.334 176.094 0.013 0.000 1.042 21 V CA -0.776 61.528 62.300 0.007 0.000 0.877 21 V CB 2.128 33.954 31.823 0.006 0.000 0.996 21 V HN 0.791 nan 8.190 nan 0.000 0.425 22 D N 2.880 123.283 120.400 0.004 0.000 2.177 22 D HA 0.605 5.245 4.640 -0.000 0.000 0.247 22 D C -0.591 175.702 176.300 -0.012 0.000 1.063 22 D CA -0.021 53.984 54.000 0.008 0.000 0.867 22 D CB 2.379 43.182 40.800 0.004 0.000 1.168 22 D HN 0.262 nan 8.370 nan 0.000 0.445 23 V N 2.151 122.064 119.914 -0.002 0.000 2.735 23 V HA 0.302 4.422 4.120 -0.000 0.000 0.310 23 V C -0.165 175.881 176.094 -0.080 0.000 1.061 23 V CA -0.851 61.402 62.300 -0.078 0.000 0.913 23 V CB 2.172 33.943 31.823 -0.087 0.000 1.005 23 V HN 0.385 nan 8.190 nan 0.000 0.428 24 Q N 2.673 122.363 119.800 -0.183 0.000 2.347 24 Q HA 0.545 4.885 4.340 -0.000 0.000 0.262 24 Q C -1.758 174.100 176.000 -0.237 0.000 0.980 24 Q CA -0.410 55.319 55.803 -0.123 0.000 0.867 24 Q CB 1.247 29.933 28.738 -0.087 0.000 1.242 24 Q HN 0.650 nan 8.270 nan 0.000 0.453 25 F N 1.931 121.854 119.950 -0.045 0.000 2.399 25 F HA 0.208 4.735 4.527 -0.000 0.000 0.334 25 F C 1.134 176.911 175.800 -0.038 0.000 1.097 25 F CA -0.341 57.635 58.000 -0.040 0.000 1.076 25 F CB 1.348 40.319 39.000 -0.048 0.000 1.162 25 F HN 0.592 nan 8.300 nan 0.000 0.495 26 D N 1.244 121.721 120.400 0.127 0.000 2.162 26 D HA -0.037 4.603 4.640 -0.000 0.000 0.205 26 D C 0.011 176.353 176.300 0.070 0.000 0.964 26 D CA 1.122 55.162 54.000 0.065 0.000 0.847 26 D CB 0.238 41.059 40.800 0.034 0.000 0.988 26 D HN 0.661 nan 8.370 nan 0.000 0.480 27 E N -0.725 119.532 120.200 0.095 0.000 2.293 27 E HA 0.534 4.884 4.350 -0.000 0.000 0.270 27 E C -0.165 176.463 176.600 0.047 0.000 0.879 27 E CA -1.240 55.192 56.400 0.054 0.000 0.756 27 E CB 2.075 31.798 29.700 0.039 0.000 1.208 27 E HN 0.000 nan 8.360 nan 0.000 0.428 28 G N 1.881 110.674 108.800 -0.011 0.000 2.686 28 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.211 28 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.211 28 G C -0.861 173.909 174.900 -0.216 0.000 0.829 28 G CA -0.432 44.619 45.100 -0.080 0.000 0.993 28 G HN 0.372 nan 8.290 nan 0.000 0.330 29 L N 5.873 126.963 121.223 -0.221 0.000 2.278 29 L HA 0.489 4.829 4.340 -0.000 0.000 0.287 29 L C -1.206 175.466 176.870 -0.330 0.000 1.072 29 L CA -1.905 52.727 54.840 -0.346 0.000 0.819 29 L CB 0.769 42.664 42.059 -0.275 0.000 1.176 29 L HN 0.398 nan 8.230 nan 0.000 0.435 30 P HA 0.155 nan 4.420 nan 0.000 0.267 30 P C -2.629 174.669 177.300 -0.005 0.000 1.205 30 P CA -1.070 61.862 63.100 -0.280 0.000 0.765 30 P CB -0.183 31.304 31.700 -0.355 0.000 0.828 31 P HA 0.124 nan 4.420 nan 0.000 0.271 31 P C 0.480 177.770 177.300 -0.015 0.000 1.233 31 P CA -0.055 63.059 63.100 0.024 0.000 0.789 31 P CB 0.586 32.265 31.700 -0.035 0.000 0.951 32 I N 1.831 122.315 120.570 -0.143 0.000 2.692 32 I HA -0.076 4.094 4.170 -0.000 0.000 0.284 32 I C 1.550 177.593 176.117 -0.124 0.000 1.159 32 I CA 0.539 61.753 61.300 -0.144 0.000 1.423 32 I CB -0.220 37.646 38.000 -0.224 0.000 1.380 32 I HN 0.425 nan 8.210 nan 0.000 0.580 33 L N 1.957 123.108 121.223 -0.119 0.000 3.271 33 L HA -0.238 4.102 4.340 -0.000 0.000 0.429 33 L C 0.309 177.145 176.870 -0.056 0.000 0.724 33 L CA 0.142 54.879 54.840 -0.171 0.000 2.742 33 L CB -1.449 40.419 42.059 -0.320 0.000 0.986 33 L HN 0.668 nan 8.230 nan 0.000 0.656 34 N N 1.179 119.861 118.700 -0.030 0.000 2.441 34 N HA 0.429 5.169 4.740 -0.000 0.000 0.251 34 N C 0.207 175.734 175.510 0.028 0.000 1.242 34 N CA 1.061 54.110 53.050 -0.001 0.000 0.898 34 N CB 0.791 39.266 38.487 -0.020 0.000 1.100 34 N HN 0.335 nan 8.380 nan 0.000 0.443 35 A N 2.383 125.226 122.820 0.038 0.000 2.305 35 A HA 0.651 4.971 4.320 -0.000 0.000 0.322 35 A C -0.569 177.047 177.584 0.053 0.000 1.187 35 A CA -0.617 51.451 52.037 0.052 0.000 0.825 35 A CB 0.318 19.349 19.000 0.052 0.000 1.164 35 A HN 0.599 nan 8.150 nan 0.000 0.498 36 L N 1.735 123.001 121.223 0.072 0.000 2.342 36 L HA 0.562 4.902 4.340 -0.000 0.000 0.271 36 L C -0.303 176.608 176.870 0.068 0.000 1.008 36 L CA -0.772 54.125 54.840 0.095 0.000 0.818 36 L CB 1.819 43.971 42.059 0.154 0.000 1.296 36 L HN 0.655 nan 8.230 nan 0.000 0.427 37 E N 2.004 122.239 120.200 0.059 0.000 2.171 37 E HA 0.360 4.710 4.350 -0.000 0.000 0.271 37 E C -0.960 175.657 176.600 0.029 0.000 0.916 37 E CA -0.774 55.647 56.400 0.036 0.000 0.774 37 E CB 3.005 32.719 29.700 0.024 0.000 1.128 37 E HN 0.198 nan 8.360 nan 0.000 0.403 38 V N 3.965 123.889 119.914 0.018 0.000 2.508 38 V HA -0.020 4.100 4.120 -0.000 0.000 0.281 38 V C 0.591 176.685 176.094 0.001 0.000 1.041 38 V CA -0.259 62.043 62.300 0.004 0.000 1.016 38 V CB 0.788 32.611 31.823 0.001 0.000 0.984 38 V HN 0.513 nan 8.190 nan 0.000 0.478 39 Q N 2.739 122.535 119.800 -0.006 0.000 2.306 39 Q HA 0.424 4.764 4.340 -0.000 0.000 0.241 39 Q C 1.101 177.095 176.000 -0.009 0.000 0.948 39 Q CA 0.439 56.238 55.803 -0.006 0.000 0.886 39 Q CB 1.189 29.921 28.738 -0.009 0.000 1.227 39 Q HN 1.140 nan 8.270 nan 0.000 0.457 40 G N 1.646 110.442 108.800 -0.007 0.000 2.171 40 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.238 40 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.238 40 G C -0.149 174.748 174.900 -0.005 0.000 1.039 40 G CA -0.059 45.036 45.100 -0.007 0.000 0.759 40 G HN 0.423 nan 8.290 nan 0.000 0.501 41 R N -0.662 119.836 120.500 -0.003 0.000 2.621 41 R HA 0.387 4.727 4.340 -0.000 0.000 0.292 41 R C 0.749 177.049 176.300 -0.001 0.000 0.969 41 R CA -0.997 55.102 56.100 -0.002 0.000 0.887 41 R CB 1.163 31.462 30.300 -0.001 0.000 1.180 41 R HN 0.029 nan 8.270 nan 0.000 0.450 42 E N 0.712 120.912 120.200 -0.000 0.000 2.130 42 E HA -0.117 4.233 4.350 -0.000 0.000 0.196 42 E C 0.669 177.270 176.600 0.001 0.000 0.998 42 E CA 1.572 57.972 56.400 0.000 0.000 0.806 42 E CB 0.082 29.783 29.700 0.000 0.000 0.738 42 E HN 0.679 nan 8.360 nan 0.000 0.459 43 T N -2.182 112.373 114.554 0.002 0.000 2.924 43 T HA 0.475 4.825 4.350 -0.000 0.000 0.291 43 T C 0.062 174.765 174.700 0.005 0.000 1.045 43 T CA -0.985 61.118 62.100 0.004 0.000 1.015 43 T CB 2.349 71.220 68.868 0.004 0.000 1.103 43 T HN -0.099 nan 8.240 nan 0.000 0.496 44 R N 1.231 121.734 120.500 0.007 0.000 2.399 44 R HA 0.308 4.648 4.340 -0.000 0.000 0.324 44 R C -0.992 175.314 176.300 0.011 0.000 1.030 44 R CA -0.550 55.555 56.100 0.008 0.000 0.984 44 R CB -0.259 30.047 30.300 0.009 0.000 0.961 44 R HN 0.536 nan 8.270 nan 0.000 0.433 45 L N 6.351 127.581 121.223 0.011 0.000 2.280 45 L HA 0.352 4.691 4.340 -0.000 0.000 0.287 45 L C -1.185 175.697 176.870 0.020 0.000 1.023 45 L CA -0.492 54.356 54.840 0.014 0.000 0.819 45 L CB 1.777 43.842 42.059 0.011 0.000 1.212 45 L HN 0.334 nan 8.230 nan 0.000 0.420 46 V N 6.339 126.268 119.914 0.025 0.000 2.472 46 V HA 0.477 4.597 4.120 -0.000 0.000 0.290 46 V C -0.023 176.094 176.094 0.038 0.000 1.037 46 V CA -0.623 61.697 62.300 0.033 0.000 0.908 46 V CB 1.673 33.516 31.823 0.034 0.000 0.985 46 V HN 0.577 nan 8.190 nan 0.000 0.454 47 L N 3.938 125.189 121.223 0.047 0.000 2.305 47 L HA 0.576 4.916 4.340 -0.000 0.000 0.284 47 L C 0.028 176.935 176.870 0.062 0.000 1.013 47 L CA -0.307 54.563 54.840 0.051 0.000 0.819 47 L CB 1.733 43.825 42.059 0.056 0.000 1.227 47 L HN 0.652 nan 8.230 nan 0.000 0.417 48 E N 2.522 122.758 120.200 0.060 0.000 2.200 48 E HA 0.304 4.654 4.350 -0.000 0.000 0.283 48 E C -0.862 175.770 176.600 0.053 0.000 1.015 48 E CA -0.769 55.669 56.400 0.064 0.000 0.819 48 E CB 1.753 31.502 29.700 0.083 0.000 1.081 48 E HN 0.327 nan 8.360 nan 0.000 0.397 49 V N 4.294 124.238 119.914 0.050 0.000 2.529 49 V HA 0.033 4.153 4.120 -0.000 0.000 0.292 49 V C 0.934 177.043 176.094 0.024 0.000 1.028 49 V CA 0.915 63.250 62.300 0.058 0.000 1.074 49 V CB 0.790 32.655 31.823 0.070 0.000 0.958 49 V HN 0.887 nan 8.190 nan 0.000 0.481 50 A N 4.287 127.129 122.820 0.037 0.000 2.013 50 A HA 0.334 4.654 4.320 -0.000 0.000 0.204 50 A C 0.728 178.315 177.584 0.006 0.000 1.262 50 A CA 0.300 52.343 52.037 0.010 0.000 0.800 50 A CB 0.350 19.360 19.000 0.017 0.000 0.909 50 A HN 0.772 nan 8.150 nan 0.000 0.472 51 Q N -1.487 118.345 119.800 0.053 0.000 2.534 51 Q HA 0.362 4.702 4.340 -0.000 0.000 0.290 51 Q C -1.658 174.463 176.000 0.201 0.000 0.991 51 Q CA -0.588 55.255 55.803 0.065 0.000 0.783 51 Q CB 1.773 30.541 28.738 0.050 0.000 1.470 51 Q HN 0.595 nan 8.270 nan 0.000 0.406 52 H N 1.809 120.881 119.070 0.003 0.000 2.661 52 H HA 0.241 4.797 4.556 -0.000 0.000 0.290 52 H C 0.534 175.869 175.328 0.011 0.000 1.082 52 H CA -0.235 55.818 56.048 0.009 0.000 1.234 52 H CB 0.771 30.533 29.762 -0.001 0.000 1.387 52 H HN 0.433 nan 8.280 nan 0.000 0.476 53 L N 2.712 123.997 121.223 0.102 0.000 2.291 53 L HA 0.113 4.453 4.340 -0.000 0.000 0.214 53 L C 1.211 178.105 176.870 0.041 0.000 1.120 53 L CA 0.656 55.531 54.840 0.058 0.000 0.799 53 L CB -0.095 41.987 42.059 0.039 0.000 0.925 53 L HN 0.805 nan 8.230 nan 0.000 0.446 54 G N 0.021 108.838 108.800 0.028 0.000 2.629 54 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.686 54 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.686 54 G C 0.000 174.898 174.900 -0.004 0.000 1.232 54 G CA -0.362 44.744 45.100 0.011 0.000 0.803 54 G HN 0.282 nan 8.290 nan 0.000 0.638 55 E N -0.909 119.286 120.200 -0.008 0.000 2.759 55 E HA -0.211 4.138 4.350 -0.000 0.000 0.280 55 E C 0.908 177.502 176.600 -0.010 0.000 1.009 55 E CA 0.975 57.371 56.400 -0.007 0.000 0.849 55 E CB -1.687 28.012 29.700 -0.002 0.000 1.415 55 E HN 2.159 nan 8.360 nan 0.000 0.412 56 S N -1.527 114.156 115.700 -0.028 0.000 3.631 56 S HA -0.217 4.253 4.470 -0.000 0.000 0.366 56 S C -0.057 174.549 174.600 0.010 0.000 0.993 56 S CA 1.426 59.610 58.200 -0.025 0.000 1.167 56 S CB -1.118 62.088 63.200 0.010 0.000 0.909 56 S HN 0.398 nan 8.310 nan 0.000 0.478 57 T N 1.311 115.858 114.554 -0.011 0.000 2.881 57 T HA 0.624 4.974 4.350 -0.000 0.000 0.290 57 T C 0.127 174.840 174.700 0.021 0.000 1.000 57 T CA -0.393 61.718 62.100 0.019 0.000 0.978 57 T CB 1.846 70.719 68.868 0.009 0.000 0.997 57 T HN 0.659 nan 8.240 nan 0.000 0.443 58 V N 1.629 121.589 119.914 0.076 0.000 2.581 58 V HA 0.770 4.890 4.120 -0.000 0.000 0.303 58 V C -0.218 175.934 176.094 0.096 0.000 1.041 58 V CA -1.331 61.034 62.300 0.108 0.000 0.907 58 V CB 1.648 33.570 31.823 0.165 0.000 0.994 58 V HN 0.850 nan 8.190 nan 0.000 0.442 59 R N 2.589 123.144 120.500 0.091 0.000 2.312 59 R HA 0.742 5.082 4.340 -0.000 0.000 0.311 59 R C -0.104 176.234 176.300 0.064 0.000 1.004 59 R CA 0.377 56.514 56.100 0.061 0.000 0.902 59 R CB 1.466 31.793 30.300 0.045 0.000 1.073 59 R HN 1.174 nan 8.270 nan 0.000 0.457 60 T N 2.092 116.677 114.554 0.052 0.000 2.901 60 T HA 0.509 4.859 4.350 -0.000 0.000 0.293 60 T C 0.047 174.767 174.700 0.034 0.000 1.084 60 T CA -1.059 61.071 62.100 0.050 0.000 1.008 60 T CB 1.070 69.978 68.868 0.065 0.000 1.170 60 T HN 0.581 nan 8.240 nan 0.000 0.509 61 I N 0.394 120.983 120.570 0.033 0.000 2.339 61 I HA 0.771 4.941 4.170 -0.000 0.000 0.290 61 I C 0.361 176.495 176.117 0.028 0.000 0.994 61 I CA -1.377 59.938 61.300 0.025 0.000 1.191 61 I CB 1.070 39.082 38.000 0.020 0.000 1.343 61 I HN 0.881 nan 8.210 nan 0.000 0.458 62 A N 7.043 129.875 122.820 0.021 0.000 2.477 62 A HA 0.369 4.689 4.320 -0.000 0.000 0.246 62 A C 0.835 178.432 177.584 0.022 0.000 1.078 62 A CA -0.307 51.743 52.037 0.021 0.000 0.770 62 A CB 0.410 19.418 19.000 0.013 0.000 1.011 62 A HN 0.846 nan 8.150 nan 0.000 0.494 63 M N 1.185 120.800 119.600 0.025 0.000 2.563 63 M HA 0.195 4.675 4.480 -0.000 0.000 0.231 63 M C -0.022 176.289 176.300 0.019 0.000 1.136 63 M CA 0.494 55.809 55.300 0.025 0.000 1.026 63 M CB -1.316 31.301 32.600 0.030 0.000 1.597 63 M HN 0.833 nan 8.290 nan 0.000 0.495 64 D N -1.435 118.974 120.400 0.015 0.000 2.865 64 D HA 0.387 5.027 4.640 -0.000 0.000 0.343 64 D C -0.528 175.777 176.300 0.009 0.000 1.372 64 D CA -0.211 53.796 54.000 0.012 0.000 0.862 64 D CB 0.598 41.405 40.800 0.012 0.000 1.425 64 D HN 0.102 nan 8.370 nan 0.000 0.501 65 G N -0.687 108.117 108.800 0.007 0.000 2.391 65 G HA2 0.329 4.289 3.960 -0.000 0.000 0.234 65 G HA3 0.329 4.289 3.960 -0.000 0.000 0.234 65 G C 0.832 175.734 174.900 0.003 0.000 1.284 65 G CA 0.754 45.857 45.100 0.004 0.000 0.873 65 G HN 0.415 nan 8.290 nan 0.000 0.549 66 T N -0.949 113.606 114.554 0.002 0.000 3.105 66 T HA 0.209 4.559 4.350 -0.000 0.000 0.253 66 T C 0.343 175.042 174.700 -0.002 0.000 1.047 66 T CA -0.288 61.812 62.100 0.000 0.000 0.944 66 T CB 0.097 68.964 68.868 -0.000 0.000 1.016 66 T HN 0.514 nan 8.240 nan 0.000 0.544 67 E N 1.551 121.750 120.200 -0.001 0.000 2.415 67 E HA 0.469 4.819 4.350 -0.000 0.000 0.262 67 E C 1.434 178.033 176.600 -0.003 0.000 1.038 67 E CA 0.502 56.900 56.400 -0.002 0.000 0.921 67 E CB -0.366 29.334 29.700 -0.001 0.000 0.950 67 E HN 0.272 nan 8.360 nan 0.000 0.438 68 G N 1.337 110.135 108.800 -0.004 0.000 2.184 68 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.264 68 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.264 68 G C 0.104 174.999 174.900 -0.007 0.000 0.975 68 G CA 0.233 45.329 45.100 -0.005 0.000 0.642 68 G HN 0.373 nan 8.290 nan 0.000 0.536 69 L N 0.115 121.333 121.223 -0.008 0.000 2.452 69 L HA 0.554 4.894 4.340 -0.000 0.000 0.267 69 L C 0.675 177.537 176.870 -0.014 0.000 1.188 69 L CA -0.531 54.303 54.840 -0.011 0.000 0.821 69 L CB 1.207 43.260 42.059 -0.011 0.000 1.102 69 L HN -0.003 nan 8.230 nan 0.000 0.470 70 V N 1.708 121.611 119.914 -0.018 0.000 2.823 70 V HA 0.392 4.512 4.120 -0.000 0.000 0.312 70 V C -0.037 176.042 176.094 -0.025 0.000 1.072 70 V CA -0.969 61.319 62.300 -0.019 0.000 0.937 70 V CB 1.959 33.771 31.823 -0.018 0.000 1.013 70 V HN 0.633 nan 8.190 nan 0.000 0.430 71 R N 1.663 122.149 120.500 -0.024 0.000 2.522 71 R HA 0.422 4.762 4.340 -0.000 0.000 0.284 71 R C 1.304 177.583 176.300 -0.035 0.000 1.032 71 R CA 1.300 57.383 56.100 -0.030 0.000 1.049 71 R CB 0.265 30.550 30.300 -0.025 0.000 0.956 71 R HN 1.220 nan 8.270 nan 0.000 0.422 72 G N 1.645 110.417 108.800 -0.047 0.000 2.234 72 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.235 72 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.235 72 G C 0.225 175.090 174.900 -0.057 0.000 0.997 72 G CA -0.020 45.050 45.100 -0.051 0.000 0.623 72 G HN 0.595 nan 8.290 nan 0.000 0.514 73 Q N 1.053 120.822 119.800 -0.051 0.000 2.369 73 Q HA 0.358 4.698 4.340 -0.000 0.000 0.295 73 Q C 0.445 176.404 176.000 -0.068 0.000 1.075 73 Q CA 0.519 56.292 55.803 -0.049 0.000 0.941 73 Q CB 0.285 29.001 28.738 -0.037 0.000 1.260 73 Q HN 0.460 nan 8.270 nan 0.000 0.417 74 K N 1.224 121.589 120.400 -0.059 0.000 2.185 74 K HA 0.427 4.747 4.320 -0.000 0.000 0.271 74 K C -1.283 175.278 176.600 -0.066 0.000 1.013 74 K CA -0.440 55.804 56.287 -0.072 0.000 0.943 74 K CB 1.274 33.745 32.500 -0.048 0.000 0.998 74 K HN 0.316 nan 8.250 nan 0.000 0.468 75 V N 4.216 124.076 119.914 -0.091 0.000 2.655 75 V HA 0.256 4.376 4.120 -0.000 0.000 0.301 75 V C -0.939 175.171 176.094 0.026 0.000 1.082 75 V CA -0.809 61.463 62.300 -0.046 0.000 0.899 75 V CB 1.629 33.399 31.823 -0.089 0.000 1.014 75 V HN 0.601 nan 8.190 nan 0.000 0.429 76 L N 3.544 124.819 121.223 0.086 0.000 2.275 76 L HA 0.485 4.824 4.340 -0.000 0.000 0.288 76 L C -0.006 176.974 176.870 0.184 0.000 1.046 76 L CA -0.525 54.400 54.840 0.140 0.000 0.805 76 L CB 1.490 43.592 42.059 0.072 0.000 1.193 76 L HN 0.657 nan 8.230 nan 0.000 0.426 77 D N 1.522 122.056 120.400 0.223 0.000 2.401 77 D HA -0.048 4.592 4.640 -0.000 0.000 0.254 77 D C 1.190 177.511 176.300 0.035 0.000 1.192 77 D CA 0.028 54.079 54.000 0.085 0.000 0.885 77 D CB 1.307 42.044 40.800 -0.107 0.000 1.147 77 D HN 0.522 nan 8.370 nan 0.000 0.478 78 S N 2.987 118.704 115.700 0.028 0.000 2.547 78 S HA 0.052 4.522 4.470 -0.000 0.000 0.235 78 S C 1.772 176.365 174.600 -0.010 0.000 0.980 78 S CA 0.581 58.785 58.200 0.008 0.000 0.941 78 S CB -0.585 62.620 63.200 0.008 0.000 0.763 78 S HN 1.067 nan 8.310 nan 0.000 0.532 79 G N -0.003 108.784 108.800 -0.022 0.000 2.148 79 G HA2 0.074 4.034 3.960 -0.000 0.000 0.254 79 G HA3 0.074 4.034 3.960 -0.000 0.000 0.254 79 G C 0.173 175.061 174.900 -0.021 0.000 0.981 79 G CA -0.022 45.060 45.100 -0.030 0.000 0.670 79 G HN 1.745 nan 8.290 nan 0.000 0.528 80 A N -1.064 121.751 122.820 -0.009 0.000 2.597 80 A HA 0.822 5.142 4.320 -0.000 0.000 0.292 80 A C -2.862 174.736 177.584 0.023 0.000 1.057 80 A CA -0.432 51.606 52.037 0.003 0.000 0.674 80 A CB 1.181 20.183 19.000 0.004 0.000 1.278 80 A HN 0.236 nan 8.150 nan 0.000 0.416 81 P HA 0.274 nan 4.420 nan 0.000 0.271 81 P C -0.147 177.208 177.300 0.092 0.000 1.238 81 P CA 0.016 63.172 63.100 0.094 0.000 0.794 81 P CB 0.200 31.997 31.700 0.162 0.000 0.959 82 I N 1.135 121.772 120.570 0.113 0.000 2.821 82 I HA -0.088 4.082 4.170 -0.000 0.000 0.294 82 I C 1.291 177.441 176.117 0.055 0.000 1.210 82 I CA 0.942 62.282 61.300 0.067 0.000 1.430 82 I CB -0.265 37.767 38.000 0.053 0.000 1.356 82 I HN 0.115 nan 8.210 nan 0.000 0.563 83 R N 7.545 128.082 120.500 0.062 0.000 2.494 83 R HA 0.681 5.021 4.340 -0.000 0.000 0.305 83 R C -0.658 175.738 176.300 0.160 0.000 0.959 83 R CA -0.783 55.374 56.100 0.095 0.000 0.864 83 R CB 1.899 32.263 30.300 0.107 0.000 1.159 83 R HN 0.589 nan 8.270 nan 0.000 0.446 84 I N -0.949 119.698 120.570 0.128 0.000 2.846 84 I HA 0.592 4.762 4.170 -0.000 0.000 0.307 84 I C -2.447 173.620 176.117 -0.083 0.000 1.053 84 I CA -3.395 57.968 61.300 0.105 0.000 1.050 84 I CB 2.125 40.112 38.000 -0.022 0.000 1.239 84 I HN 0.322 nan 8.210 nan 0.000 0.439 85 P HA 0.055 nan 4.420 nan 0.000 0.260 85 P C -0.396 176.561 177.300 -0.571 0.000 1.207 85 P CA 0.153 62.737 63.100 -0.859 0.000 0.780 85 P CB 0.477 31.878 31.700 -0.499 0.000 0.789 86 V N 1.273 120.801 119.914 -0.642 0.000 2.815 86 V HA 1.030 5.150 4.120 -0.000 0.000 0.314 86 V C 0.210 175.761 176.094 -0.905 0.000 1.064 86 V CA -0.283 61.625 62.300 -0.653 0.000 0.952 86 V CB 1.522 33.014 31.823 -0.552 0.000 1.020 86 V HN 0.882 nan 8.190 nan 0.000 0.439 87 G N 3.013 111.112 108.800 -1.168 0.000 2.361 87 G HA2 0.215 4.175 3.960 -0.000 0.000 0.331 87 G HA3 0.215 4.175 3.960 -0.000 0.000 0.331 87 G C -2.702 172.048 174.900 -0.251 0.000 1.324 87 G CA 0.016 44.472 45.100 -1.073 0.000 0.984 87 G HN 0.605 nan 8.290 nan 0.000 0.586 88 P HA -0.005 nan 4.420 nan 0.000 0.220 88 P C 1.167 178.459 177.300 -0.014 0.000 1.148 88 P CA 1.559 64.697 63.100 0.062 0.000 0.803 88 P CB 0.038 31.756 31.700 0.029 0.000 0.782 89 E N 0.097 120.264 120.200 -0.054 0.000 2.485 89 E HA -0.034 4.316 4.350 -0.000 0.000 0.194 89 E C 1.087 177.659 176.600 -0.047 0.000 1.098 89 E CA 0.869 57.240 56.400 -0.047 0.000 0.878 89 E CB -1.230 28.439 29.700 -0.053 0.000 0.939 89 E HN 0.366 nan 8.360 nan 0.000 0.503 90 T N -1.764 112.769 114.554 -0.035 0.000 3.051 90 T HA 0.136 4.486 4.350 -0.000 0.000 0.255 90 T C 1.093 175.824 174.700 0.053 0.000 1.085 90 T CA -0.325 61.766 62.100 -0.015 0.000 1.109 90 T CB -0.254 68.584 68.868 -0.050 0.000 0.921 90 T HN 0.029 nan 8.240 nan 0.000 0.488 91 L N 2.069 123.330 121.223 0.062 0.000 2.525 91 L HA 0.413 4.753 4.340 -0.000 0.000 0.278 91 L C 1.776 178.688 176.870 0.071 0.000 1.218 91 L CA 1.053 55.928 54.840 0.058 0.000 0.878 91 L CB -0.077 41.965 42.059 -0.029 0.000 1.127 91 L HN 0.548 nan 8.230 nan 0.000 0.492 92 G N 1.229 110.091 108.800 0.103 0.000 2.189 92 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.267 92 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.267 92 G C 0.427 175.412 174.900 0.141 0.000 0.975 92 G CA -0.115 45.057 45.100 0.120 0.000 0.644 92 G HN 0.455 nan 8.290 nan 0.000 0.537 93 R N -0.397 120.166 120.500 0.104 0.000 2.782 93 R HA 0.791 5.131 4.340 -0.000 0.000 0.258 93 R C 0.249 176.581 176.300 0.055 0.000 1.055 93 R CA -1.076 55.068 56.100 0.073 0.000 1.065 93 R CB 0.770 31.092 30.300 0.036 0.000 1.172 93 R HN 0.280 nan 8.270 nan 0.000 0.510 94 I N 1.466 122.031 120.570 -0.007 0.000 2.418 94 I HA 0.414 4.584 4.170 -0.000 0.000 0.287 94 I C -0.008 176.111 176.117 0.002 0.000 1.008 94 I CA -0.359 60.931 61.300 -0.016 0.000 1.104 94 I CB 1.616 39.513 38.000 -0.172 0.000 1.264 94 I HN 0.219 nan 8.210 nan 0.000 0.438 95 M N 4.242 123.865 119.600 0.038 0.000 2.724 95 M HA 0.434 4.914 4.480 -0.000 0.000 0.310 95 M C -0.310 176.017 176.300 0.045 0.000 1.217 95 M CA -0.627 54.687 55.300 0.024 0.000 0.894 95 M CB 2.098 34.700 32.600 0.003 0.000 1.719 95 M HN 0.481 nan 8.290 nan 0.000 0.479 96 N N -0.437 118.281 118.700 0.030 0.000 2.405 96 N HA 0.284 5.024 4.740 -0.000 0.000 0.269 96 N C 0.680 176.200 175.510 0.017 0.000 1.249 96 N CA -0.311 52.757 53.050 0.031 0.000 0.974 96 N CB 1.137 39.637 38.487 0.022 0.000 1.204 96 N HN 0.458 nan 8.380 nan 0.000 0.565 97 V N 0.453 120.378 119.914 0.018 0.000 2.427 97 V HA -0.151 3.969 4.120 -0.000 0.000 0.248 97 V C 1.665 177.760 176.094 0.001 0.000 1.051 97 V CA 1.584 63.886 62.300 0.004 0.000 1.048 97 V CB -0.903 30.927 31.823 0.012 0.000 0.666 97 V HN 0.743 nan 8.190 nan 0.000 0.456 98 I N -0.937 119.642 120.570 0.015 0.000 3.806 98 I HA 0.609 4.779 4.170 -0.000 0.000 0.321 98 I C 1.275 177.412 176.117 0.033 0.000 1.315 98 I CA 0.535 61.849 61.300 0.023 0.000 1.148 98 I CB -0.509 37.507 38.000 0.027 0.000 1.028 98 I HN 0.321 nan 8.210 nan 0.000 0.415 99 G N 1.182 109.996 108.800 0.023 0.000 2.147 99 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.244 99 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.244 99 G C -0.208 174.717 174.900 0.041 0.000 1.005 99 G CA 0.057 45.175 45.100 0.029 0.000 0.713 99 G HN 0.685 nan 8.290 nan 0.000 0.515 100 E N 0.978 121.197 120.200 0.031 0.000 2.204 100 E HA 0.421 4.771 4.350 -0.000 0.000 0.276 100 E C -2.378 174.231 176.600 0.016 0.000 0.974 100 E CA -2.188 54.230 56.400 0.030 0.000 0.815 100 E CB 1.696 31.410 29.700 0.025 0.000 1.119 100 E HN 0.136 nan 8.360 nan 0.000 0.393 101 P HA 0.006 nan 4.420 nan 0.000 0.269 101 P C 0.154 177.449 177.300 -0.009 0.000 1.209 101 P CA 0.394 63.494 63.100 -0.000 0.000 0.776 101 P CB 0.327 32.029 31.700 0.004 0.000 0.876 102 I N -1.481 119.071 120.570 -0.030 0.000 3.994 102 I HA 0.274 4.444 4.170 -0.000 0.000 0.323 102 I C -0.011 176.053 176.117 -0.088 0.000 1.501 102 I CA -0.247 61.025 61.300 -0.046 0.000 1.112 102 I CB 0.234 38.212 38.000 -0.038 0.000 1.254 102 I HN 0.005 nan 8.210 nan 0.000 0.495 103 D N -0.113 120.237 120.400 -0.083 0.000 2.395 103 D HA 0.034 4.674 4.640 -0.000 0.000 0.213 103 D C 0.518 176.805 176.300 -0.021 0.000 1.110 103 D CA -0.057 53.881 54.000 -0.104 0.000 0.835 103 D CB -0.032 40.686 40.800 -0.137 0.000 0.965 103 D HN 0.245 nan 8.370 nan 0.000 0.505 104 E N 0.002 120.196 120.200 -0.010 0.000 2.791 104 E HA -0.256 4.094 4.350 -0.000 0.000 0.271 104 E C 0.233 176.848 176.600 0.024 0.000 1.044 104 E CA 0.401 56.808 56.400 0.010 0.000 0.814 104 E CB -1.641 28.070 29.700 0.018 0.000 1.400 104 E HN 0.567 nan 8.360 nan 0.000 0.423 105 R N 0.037 120.552 120.500 0.026 0.000 2.586 105 R HA 0.336 4.676 4.340 -0.000 0.000 0.336 105 R C 0.947 177.263 176.300 0.027 0.000 1.060 105 R CA 0.438 56.559 56.100 0.035 0.000 1.079 105 R CB 0.954 31.284 30.300 0.050 0.000 1.317 105 R HN 0.287 nan 8.270 nan 0.000 0.568 106 G N 2.210 111.023 108.800 0.021 0.000 2.756 106 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.678 106 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.678 106 G C -2.578 172.334 174.900 0.021 0.000 1.349 106 G CA -1.276 43.837 45.100 0.020 0.000 0.847 106 G HN 0.004 nan 8.290 nan 0.000 0.548 107 P HA 0.317 nan 4.420 nan 0.000 0.270 107 P C 0.070 177.385 177.300 0.024 0.000 1.221 107 P CA 0.103 63.221 63.100 0.032 0.000 0.788 107 P CB 0.333 32.057 31.700 0.039 0.000 0.904 108 I N 1.456 122.041 120.570 0.025 0.000 2.371 108 I HA 0.177 4.347 4.170 -0.000 0.000 0.282 108 I C 0.801 176.911 176.117 -0.012 0.000 1.031 108 I CA -0.367 60.927 61.300 -0.009 0.000 1.180 108 I CB 0.550 38.527 38.000 -0.038 0.000 1.336 108 I HN 0.013 nan 8.210 nan 0.000 0.467 109 K N 5.689 126.083 120.400 -0.010 0.000 2.187 109 K HA 0.183 4.503 4.320 -0.000 0.000 0.242 109 K C 0.247 176.821 176.600 -0.044 0.000 1.179 109 K CA -0.245 56.044 56.287 0.003 0.000 1.097 109 K CB -0.171 32.340 32.500 0.018 0.000 1.634 109 K HN 0.593 nan 8.250 nan 0.000 0.335 110 T N -1.775 112.706 114.554 -0.122 0.000 2.913 110 T HA 0.198 4.548 4.350 -0.000 0.000 0.287 110 T C 1.080 175.706 174.700 -0.124 0.000 1.008 110 T CA -0.859 61.107 62.100 -0.222 0.000 1.067 110 T CB 1.617 70.191 68.868 -0.490 0.000 0.996 110 T HN 0.289 nan 8.240 nan 0.000 0.513 111 K N 0.848 121.184 120.400 -0.106 0.000 2.103 111 K HA 0.005 4.325 4.320 -0.000 0.000 0.204 111 K C 0.414 177.024 176.600 0.017 0.000 1.052 111 K CA 0.855 57.133 56.287 -0.014 0.000 0.945 111 K CB -0.098 32.404 32.500 0.003 0.000 0.722 111 K HN 0.606 nan 8.250 nan 0.000 0.443 112 Q N -0.423 119.318 119.800 -0.099 0.000 2.445 112 Q HA 0.532 4.871 4.340 -0.000 0.000 0.281 112 Q C -1.034 174.772 176.000 -0.323 0.000 1.101 112 Q CA -0.662 55.116 55.803 -0.042 0.000 0.833 112 Q CB 1.040 29.761 28.738 -0.028 0.000 1.416 112 Q HN -0.064 nan 8.270 nan 0.000 0.451 113 F N -0.186 119.724 119.950 -0.068 0.000 2.565 113 F HA 0.829 5.356 4.527 -0.000 0.000 0.313 113 F C -0.585 175.181 175.800 -0.056 0.000 1.091 113 F CA -0.824 57.134 58.000 -0.070 0.000 0.915 113 F CB 2.246 41.218 39.000 -0.047 0.000 1.208 113 F HN 0.650 nan 8.300 nan 0.000 0.453 114 A N 1.521 124.376 122.820 0.058 0.000 2.386 114 A HA 0.885 5.205 4.320 -0.000 0.000 0.311 114 A C -1.144 176.462 177.584 0.036 0.000 1.068 114 A CA -0.753 51.300 52.037 0.026 0.000 0.743 114 A CB 1.138 20.114 19.000 -0.039 0.000 1.258 114 A HN 0.968 nan 8.150 nan 0.000 0.429 115 A N 1.441 124.281 122.820 0.034 0.000 2.366 115 A HA 0.497 4.817 4.320 -0.000 0.000 0.272 115 A C 1.068 178.644 177.584 -0.014 0.000 1.135 115 A CA -0.036 52.021 52.037 0.034 0.000 0.804 115 A CB -0.358 18.677 19.000 0.059 0.000 1.064 115 A HN 1.602 nan 8.150 nan 0.000 0.499 116 I N -0.403 120.128 120.570 -0.065 0.000 2.756 116 I HA -0.038 4.132 4.170 -0.000 0.000 0.262 116 I C 0.167 176.116 176.117 -0.279 0.000 1.225 116 I CA 0.688 61.877 61.300 -0.185 0.000 1.472 116 I CB -0.365 37.495 38.000 -0.234 0.000 1.094 116 I HN 0.493 nan 8.210 nan 0.000 0.454 117 H N 2.392 121.452 119.070 -0.017 0.000 2.517 117 H HA 0.796 5.352 4.556 -0.000 0.000 0.317 117 H C -0.386 174.930 175.328 -0.020 0.000 1.080 117 H CA -0.068 55.969 56.048 -0.018 0.000 1.301 117 H CB 1.606 31.363 29.762 -0.008 0.000 1.425 117 H HN 0.429 nan 8.280 nan 0.000 0.471 118 A N 3.152 126.018 122.820 0.077 0.000 2.612 118 A HA 0.334 4.654 4.320 -0.000 0.000 0.293 118 A C -0.682 176.916 177.584 0.023 0.000 1.075 118 A CA -0.934 51.125 52.037 0.037 0.000 0.680 118 A CB 1.556 20.558 19.000 0.004 0.000 1.279 118 A HN 0.521 nan 8.150 nan 0.000 0.411 119 E N 0.628 120.837 120.200 0.015 0.000 2.383 119 E HA 0.486 4.836 4.350 -0.000 0.000 0.264 119 E C 0.473 177.073 176.600 0.001 0.000 1.050 119 E CA 0.237 56.643 56.400 0.011 0.000 0.896 119 E CB 1.373 31.079 29.700 0.011 0.000 0.982 119 E HN 0.851 nan 8.360 nan 0.000 0.424 120 A N 3.770 126.591 122.820 0.002 0.000 2.322 120 A HA 0.426 4.745 4.320 -0.000 0.000 0.269 120 A C -2.072 175.517 177.584 0.009 0.000 1.094 120 A CA -1.270 50.765 52.037 -0.003 0.000 0.807 120 A CB -0.366 18.632 19.000 -0.003 0.000 1.047 120 A HN 0.336 nan 8.150 nan 0.000 0.487 121 P HA 0.025 nan 4.420 nan 0.000 0.263 121 P C -0.069 177.252 177.300 0.035 0.000 1.175 121 P CA 0.352 63.458 63.100 0.010 0.000 0.761 121 P CB 0.365 32.064 31.700 -0.001 0.000 0.794 122 E N 1.383 121.607 120.200 0.039 0.000 2.392 122 E HA -0.001 4.349 4.350 -0.000 0.000 0.256 122 E C 0.844 177.512 176.600 0.114 0.000 1.145 122 E CA -0.246 56.200 56.400 0.077 0.000 0.929 122 E CB 0.027 29.766 29.700 0.065 0.000 0.998 122 E HN 0.384 nan 8.360 nan 0.000 0.442 123 F N 1.840 121.790 119.950 0.000 0.000 2.126 123 F HA -0.200 4.327 4.527 -0.000 0.000 0.299 123 F C 1.761 177.561 175.800 0.000 0.000 1.096 123 F CA 1.556 59.557 58.000 0.001 0.000 1.255 123 F CB -0.191 38.810 39.000 0.003 0.000 0.997 123 F HN 0.244 nan 8.300 nan 0.000 0.479 124 V N -2.145 117.747 119.914 -0.036 0.000 3.541 124 V HA -0.017 4.103 4.120 -0.000 0.000 0.272 124 V C 1.155 177.177 176.094 -0.120 0.000 1.215 124 V CA 1.344 63.559 62.300 -0.141 0.000 1.176 124 V CB -1.063 30.742 31.823 -0.030 0.000 0.854 124 V HN 0.429 nan 8.190 nan 0.000 0.496 125 E N -0.236 119.907 120.200 -0.094 0.000 2.489 125 E HA 0.255 4.605 4.350 -0.000 0.000 0.204 125 E C 0.567 177.115 176.600 -0.087 0.000 1.006 125 E CA -0.343 56.016 56.400 -0.068 0.000 0.936 125 E CB 0.193 29.875 29.700 -0.031 0.000 1.002 125 E HN 0.472 nan 8.360 nan 0.000 0.488 126 M N 0.732 120.248 119.600 -0.139 0.000 2.245 126 M HA 0.144 4.624 4.480 -0.000 0.000 0.330 126 M C 0.436 176.664 176.300 -0.120 0.000 1.098 126 M CA 0.274 55.498 55.300 -0.126 0.000 1.172 126 M CB 0.898 33.401 32.600 -0.162 0.000 1.467 126 M HN -0.164 nan 8.290 nan 0.000 0.454 127 S N 0.534 116.187 115.700 -0.078 0.000 2.566 127 S HA 0.739 5.209 4.470 -0.000 0.000 0.298 127 S C -0.101 174.470 174.600 -0.048 0.000 1.083 127 S CA -0.744 57.419 58.200 -0.061 0.000 0.978 127 S CB 1.259 64.435 63.200 -0.041 0.000 1.073 127 S HN 0.607 nan 8.310 nan 0.000 0.491 128 V N 0.305 120.195 119.914 -0.039 0.000 2.925 128 V HA 0.562 4.682 4.120 -0.000 0.000 0.361 128 V C -0.301 175.785 176.094 -0.012 0.000 1.361 128 V CA -0.600 61.685 62.300 -0.024 0.000 1.184 128 V CB 0.174 31.981 31.823 -0.027 0.000 1.245 128 V HN 0.586 nan 8.190 nan 0.000 0.575 129 E N 2.029 122.223 120.200 -0.011 0.000 2.366 129 E HA 0.475 4.825 4.350 -0.000 0.000 0.266 129 E C -0.345 176.259 176.600 0.005 0.000 1.051 129 E CA 0.177 56.575 56.400 -0.003 0.000 0.884 129 E CB 1.113 30.812 29.700 -0.002 0.000 1.006 129 E HN 0.659 nan 8.360 nan 0.000 0.417 130 Q N 2.041 121.849 119.800 0.012 0.000 2.695 130 Q HA 0.284 4.624 4.340 -0.000 0.000 0.246 130 Q C -0.781 175.236 176.000 0.028 0.000 0.961 130 Q CA -0.188 55.627 55.803 0.020 0.000 0.708 130 Q CB 1.580 30.330 28.738 0.021 0.000 1.282 130 Q HN 0.366 nan 8.270 nan 0.000 0.482 131 E N 2.442 122.662 120.200 0.033 0.000 2.145 131 E HA 0.334 4.684 4.350 -0.000 0.000 0.270 131 E C -0.443 176.190 176.600 0.056 0.000 0.906 131 E CA -0.609 55.816 56.400 0.041 0.000 0.761 131 E CB 2.208 31.930 29.700 0.037 0.000 1.116 131 E HN 0.517 nan 8.360 nan 0.000 0.408 132 I N 3.954 124.562 120.570 0.064 0.000 2.815 132 I HA -0.114 4.056 4.170 -0.000 0.000 0.291 132 I C -0.526 175.642 176.117 0.084 0.000 1.209 132 I CA 0.296 61.645 61.300 0.081 0.000 1.431 132 I CB 0.415 38.471 38.000 0.093 0.000 1.351 132 I HN 0.459 nan 8.210 nan 0.000 0.585 133 L N 8.968 130.252 121.223 0.102 0.000 2.371 133 L HA 0.345 4.685 4.340 -0.000 0.000 0.262 133 L C -0.605 176.313 176.870 0.080 0.000 1.054 133 L CA -0.412 54.489 54.840 0.102 0.000 0.924 133 L CB 0.844 42.986 42.059 0.138 0.000 1.295 133 L HN 0.354 nan 8.230 nan 0.000 0.441 134 V N 3.293 123.242 119.914 0.059 0.000 2.617 134 V HA 0.019 4.139 4.120 -0.000 0.000 0.304 134 V C 1.587 177.688 176.094 0.012 0.000 1.040 134 V CA 1.148 63.466 62.300 0.030 0.000 1.149 134 V CB 0.782 32.626 31.823 0.035 0.000 0.914 134 V HN 0.910 nan 8.190 nan 0.000 0.487 135 T N 0.007 114.539 114.554 -0.036 0.000 2.990 135 T HA 0.336 4.686 4.350 -0.000 0.000 0.249 135 T C 1.358 176.032 174.700 -0.043 0.000 1.039 135 T CA 0.837 62.910 62.100 -0.045 0.000 1.036 135 T CB 0.674 69.460 68.868 -0.135 0.000 0.994 135 T HN 1.553 nan 8.240 nan 0.000 0.489 136 G N 1.815 110.596 108.800 -0.032 0.000 2.176 136 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.232 136 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.232 136 G C 0.011 174.908 174.900 -0.006 0.000 0.986 136 G CA -0.032 45.057 45.100 -0.018 0.000 0.643 136 G HN 0.611 nan 8.290 nan 0.000 0.522 137 I N 1.512 122.073 120.570 -0.014 0.000 2.312 137 I HA 0.230 4.400 4.170 -0.000 0.000 0.291 137 I C 1.585 177.725 176.117 0.038 0.000 1.031 137 I CA -0.389 60.943 61.300 0.054 0.000 1.293 137 I CB 1.044 39.081 38.000 0.062 0.000 1.403 137 I HN 0.058 nan 8.210 nan 0.000 0.484 138 K N 3.937 124.365 120.400 0.046 0.000 2.000 138 K HA -0.177 4.143 4.320 -0.000 0.000 0.218 138 K C 1.863 178.501 176.600 0.063 0.000 1.053 138 K CA 1.843 58.163 56.287 0.055 0.000 0.946 138 K CB -0.190 32.316 32.500 0.011 0.000 0.723 138 K HN 0.582 nan 8.250 nan 0.000 0.446 139 V N 0.910 120.852 119.914 0.047 0.000 2.219 139 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 139 V C 2.393 178.487 176.094 0.000 0.000 1.053 139 V CA 2.062 64.368 62.300 0.010 0.000 1.009 139 V CB -1.064 30.776 31.823 0.029 0.000 0.636 139 V HN 0.097 nan 8.190 nan 0.000 0.445 140 V N 0.724 120.634 119.914 -0.007 0.000 2.231 140 V HA -0.326 3.794 4.120 -0.000 0.000 0.248 140 V C 2.489 178.539 176.094 -0.073 0.000 1.054 140 V CA 2.571 64.821 62.300 -0.083 0.000 1.015 140 V CB -0.950 30.700 31.823 -0.288 0.000 0.638 140 V HN 0.557 nan 8.190 nan 0.000 0.444 141 D N -0.291 120.071 120.400 -0.062 0.000 2.106 141 D HA -0.185 4.455 4.640 -0.000 0.000 0.191 141 D C 2.003 178.397 176.300 0.157 0.000 0.997 141 D CA 1.560 55.574 54.000 0.023 0.000 0.834 141 D CB -0.464 40.345 40.800 0.015 0.000 0.956 141 D HN 0.324 nan 8.370 nan 0.000 0.448 142 L N 0.373 121.660 121.223 0.107 0.000 1.970 142 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 142 L C 2.201 179.164 176.870 0.155 0.000 1.071 142 L CA 1.689 56.618 54.840 0.148 0.000 0.751 142 L CB -0.434 41.614 42.059 -0.018 0.000 0.889 142 L HN 0.038 nan 8.230 nan 0.000 0.432 143 L N -1.600 119.634 121.223 0.019 0.000 2.357 143 L HA 0.275 4.615 4.340 -0.000 0.000 0.211 143 L C 0.876 177.737 176.870 -0.014 0.000 1.075 143 L CA 0.508 55.329 54.840 -0.032 0.000 0.830 143 L CB -0.184 41.836 42.059 -0.065 0.000 0.996 143 L HN 0.283 nan 8.230 nan 0.000 0.467 144 A N 0.370 123.203 122.820 0.022 0.000 3.410 144 A HA 0.455 4.775 4.320 -0.000 0.000 0.276 144 A C -2.584 175.058 177.584 0.098 0.000 0.995 144 A CA -1.017 51.060 52.037 0.068 0.000 0.934 144 A CB -0.246 18.819 19.000 0.110 0.000 1.191 144 A HN -0.150 nan 8.150 nan 0.000 0.511 145 P HA 0.017 nan 4.420 nan 0.000 0.263 145 P C -0.600 176.823 177.300 0.204 0.000 1.175 145 P CA 0.754 63.892 63.100 0.063 0.000 0.761 145 P CB 0.239 31.970 31.700 0.051 0.000 0.794 146 Y N 1.143 121.477 120.300 0.056 0.000 2.298 146 Y HA 0.510 5.060 4.550 -0.000 0.000 0.329 146 Y C 0.963 176.884 175.900 0.034 0.000 1.293 146 Y CA -1.663 56.463 58.100 0.043 0.000 1.388 146 Y CB 0.272 38.757 38.460 0.042 0.000 1.309 146 Y HN 0.370 nan 8.280 nan 0.000 0.544 147 A N 2.198 125.132 122.820 0.190 0.000 2.356 147 A HA 0.463 4.783 4.320 -0.000 0.000 0.310 147 A C -0.407 177.215 177.584 0.065 0.000 1.075 147 A CA -1.116 50.983 52.037 0.103 0.000 0.746 147 A CB 0.760 19.801 19.000 0.067 0.000 1.221 147 A HN 0.726 nan 8.150 nan 0.000 0.443 148 K N 0.967 121.402 120.400 0.058 0.000 2.511 148 K HA 0.295 4.615 4.320 -0.000 0.000 0.280 148 K C 1.351 177.956 176.600 0.009 0.000 1.008 148 K CA 1.717 58.025 56.287 0.034 0.000 1.050 148 K CB 0.093 32.619 32.500 0.043 0.000 0.889 148 K HN 1.715 nan 8.250 nan 0.000 0.484 149 G N 2.303 111.092 108.800 -0.018 0.000 2.189 149 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.267 149 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.267 149 G C 0.430 175.308 174.900 -0.036 0.000 0.975 149 G CA 0.229 45.312 45.100 -0.029 0.000 0.644 149 G HN 0.904 nan 8.290 nan 0.000 0.537 150 G N -0.651 108.129 108.800 -0.033 0.000 2.557 150 G HA2 0.564 4.524 3.960 -0.000 0.000 0.292 150 G HA3 0.564 4.524 3.960 -0.000 0.000 0.292 150 G C -0.129 174.727 174.900 -0.074 0.000 1.237 150 G CA -0.605 44.474 45.100 -0.034 0.000 0.978 150 G HN 0.375 nan 8.290 nan 0.000 0.498 151 K N 0.109 120.470 120.400 -0.064 0.000 2.240 151 K HA 0.429 4.749 4.320 -0.000 0.000 0.271 151 K C -0.816 175.710 176.600 -0.123 0.000 1.018 151 K CA -0.160 56.072 56.287 -0.091 0.000 0.874 151 K CB 1.811 34.285 32.500 -0.043 0.000 1.098 151 K HN 0.251 nan 8.250 nan 0.000 0.458 152 I N 1.029 121.475 120.570 -0.208 0.000 2.493 152 I HA 0.403 4.572 4.170 -0.000 0.000 0.298 152 I C 0.272 176.248 176.117 -0.235 0.000 0.998 152 I CA -0.665 60.453 61.300 -0.303 0.000 1.137 152 I CB 2.222 39.850 38.000 -0.620 0.000 1.310 152 I HN 0.630 nan 8.210 nan 0.000 0.445 153 G N 6.116 114.816 108.800 -0.167 0.000 2.643 153 G HA2 0.671 4.631 3.960 -0.000 0.000 0.305 153 G HA3 0.671 4.631 3.960 -0.000 0.000 0.305 153 G C -1.156 173.687 174.900 -0.095 0.000 1.387 153 G CA -0.502 44.484 45.100 -0.191 0.000 0.982 153 G HN 0.417 nan 8.290 nan 0.000 0.501 154 L N 2.301 123.440 121.223 -0.140 0.000 2.277 154 L HA 0.451 4.791 4.340 -0.000 0.000 0.284 154 L C -0.777 176.059 176.870 -0.058 0.000 1.028 154 L CA -0.606 54.241 54.840 0.012 0.000 0.835 154 L CB 0.837 42.931 42.059 0.059 0.000 1.215 154 L HN 0.334 nan 8.230 nan 0.000 0.425 155 F N 1.512 121.450 119.950 -0.021 0.000 2.394 155 F HA 0.734 5.261 4.527 -0.000 0.000 0.340 155 F C 0.930 176.725 175.800 -0.008 0.000 1.105 155 F CA -0.251 57.720 58.000 -0.048 0.000 1.124 155 F CB 1.992 40.938 39.000 -0.090 0.000 1.145 155 F HN 0.444 nan 8.300 nan 0.000 0.505 156 G N 1.184 110.064 108.800 0.132 0.000 2.691 156 G HA2 0.477 4.437 3.960 -0.000 0.000 0.298 156 G HA3 0.477 4.437 3.960 -0.000 0.000 0.298 156 G C -0.719 174.167 174.900 -0.025 0.000 1.471 156 G CA -0.426 44.719 45.100 0.074 0.000 0.912 156 G HN 0.927 nan 8.290 nan 0.000 0.553 157 G N -0.338 108.424 108.800 -0.063 0.000 2.611 157 G HA2 0.662 4.622 3.960 -0.000 0.000 0.273 157 G HA3 0.662 4.622 3.960 -0.000 0.000 0.273 157 G C 0.763 175.679 174.900 0.026 0.000 1.305 157 G CA 0.365 45.369 45.100 -0.161 0.000 1.010 157 G HN 1.694 nan 8.290 nan 0.000 0.509 158 A N -1.266 121.634 122.820 0.134 0.000 2.492 158 A HA 0.523 4.843 4.320 -0.000 0.000 0.254 158 A C 1.432 179.089 177.584 0.121 0.000 1.091 158 A CA 0.967 53.138 52.037 0.224 0.000 0.768 158 A CB -0.607 18.536 19.000 0.238 0.000 1.028 158 A HN 2.557 nan 8.150 nan 0.000 0.498 159 G N 1.048 109.914 108.800 0.111 0.000 2.272 159 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.280 159 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.280 159 G C 0.473 175.420 174.900 0.078 0.000 1.067 159 G CA 0.790 45.932 45.100 0.070 0.000 0.902 159 G HN 2.132 nan 8.290 nan 0.000 0.500 160 V N -4.078 115.894 119.914 0.097 0.000 3.605 160 V HA 0.710 4.830 4.120 -0.000 0.000 0.284 160 V C 1.686 177.878 176.094 0.163 0.000 1.386 160 V CA 1.021 63.395 62.300 0.124 0.000 1.053 160 V CB 0.382 32.258 31.823 0.088 0.000 0.857 160 V HN 2.074 nan 8.190 nan 0.000 0.436 161 G N 0.576 109.453 108.800 0.128 0.000 2.273 161 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.162 161 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.162 161 G C 0.674 175.668 174.900 0.157 0.000 1.006 161 G CA 0.173 45.358 45.100 0.142 0.000 0.704 161 G HN 0.387 nan 8.290 nan 0.000 0.487 162 K N 0.201 120.684 120.400 0.139 0.000 2.001 162 K HA -0.113 4.207 4.320 -0.000 0.000 0.214 162 K C 2.489 179.177 176.600 0.147 0.000 1.050 162 K CA 2.123 58.493 56.287 0.138 0.000 0.934 162 K CB -0.478 32.093 32.500 0.118 0.000 0.718 162 K HN 0.276 nan 8.250 nan 0.000 0.443 163 T N 1.267 115.904 114.554 0.139 0.000 2.746 163 T HA -0.099 4.251 4.350 -0.000 0.000 0.267 163 T C 2.118 176.908 174.700 0.151 0.000 1.039 163 T CA 1.188 63.377 62.100 0.149 0.000 1.142 163 T CB -0.238 68.718 68.868 0.146 0.000 0.866 163 T HN -0.041 nan 8.240 nan 0.000 0.444 164 V N 1.509 121.518 119.914 0.159 0.000 2.287 164 V HA -0.130 3.990 4.120 -0.000 0.000 0.248 164 V C 2.415 178.648 176.094 0.231 0.000 1.053 164 V CA 1.413 63.838 62.300 0.208 0.000 1.027 164 V CB -0.672 31.289 31.823 0.230 0.000 0.646 164 V HN 0.333 nan 8.190 nan 0.000 0.447 165 L N -0.433 120.956 121.223 0.277 0.000 2.079 165 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 165 L C 2.093 179.042 176.870 0.133 0.000 1.081 165 L CA 1.851 56.853 54.840 0.270 0.000 0.752 165 L CB -0.423 41.821 42.059 0.308 0.000 0.896 165 L HN 0.243 nan 8.230 nan 0.000 0.433 166 I N -1.578 119.074 120.570 0.136 0.000 2.546 166 I HA -0.245 3.925 4.170 -0.000 0.000 0.255 166 I C 1.953 178.061 176.117 -0.015 0.000 1.163 166 I CA 0.513 61.874 61.300 0.101 0.000 1.457 166 I CB 0.059 38.153 38.000 0.155 0.000 1.092 166 I HN 0.302 nan 8.210 nan 0.000 0.434 167 M N -0.331 119.274 119.600 0.010 0.000 2.156 167 M HA -0.185 4.295 4.480 -0.000 0.000 0.264 167 M C 2.128 178.367 176.300 -0.102 0.000 1.067 167 M CA 1.565 56.838 55.300 -0.045 0.000 1.131 167 M CB -1.194 31.422 32.600 0.026 0.000 1.368 167 M HN 0.128 nan 8.290 nan 0.000 0.416 168 E N 0.184 120.296 120.200 -0.147 0.000 2.285 168 E HA -0.045 4.305 4.350 -0.000 0.000 0.194 168 E C 1.938 178.409 176.600 -0.214 0.000 0.997 168 E CA 0.639 56.867 56.400 -0.286 0.000 0.845 168 E CB -0.066 29.177 29.700 -0.762 0.000 0.782 168 E HN 0.447 nan 8.360 nan 0.000 0.491 169 L N -0.089 121.061 121.223 -0.122 0.000 2.179 169 L HA 0.008 4.348 4.340 -0.000 0.000 0.208 169 L C 2.159 179.023 176.870 -0.009 0.000 1.096 169 L CA 0.529 55.369 54.840 0.001 0.000 0.779 169 L CB -0.127 42.037 42.059 0.176 0.000 0.922 169 L HN 0.212 nan 8.230 nan 0.000 0.443 170 I N -0.047 120.419 120.570 -0.172 0.000 2.252 170 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 170 I C 2.257 178.327 176.117 -0.079 0.000 1.102 170 I CA 1.328 62.484 61.300 -0.240 0.000 1.385 170 I CB -0.178 37.583 38.000 -0.400 0.000 1.064 170 I HN 0.350 nan 8.210 nan 0.000 0.414 171 N N 1.207 119.854 118.700 -0.088 0.000 2.051 171 N HA -0.174 4.566 4.740 -0.000 0.000 0.192 171 N C 1.439 176.931 175.510 -0.031 0.000 1.049 171 N CA 1.618 54.633 53.050 -0.058 0.000 0.845 171 N CB -0.080 38.361 38.487 -0.077 0.000 1.031 171 N HN 0.118 nan 8.380 nan 0.000 0.425 172 N N -0.873 117.801 118.700 -0.044 0.000 2.573 172 N HA -0.028 4.712 4.740 -0.000 0.000 0.187 172 N C 0.554 176.080 175.510 0.027 0.000 1.107 172 N CA 0.490 53.527 53.050 -0.021 0.000 0.918 172 N CB 0.442 38.897 38.487 -0.054 0.000 0.966 172 N HN 0.208 nan 8.380 nan 0.000 0.448 173 V N -1.385 118.567 119.914 0.064 0.000 3.261 173 V HA 0.242 4.362 4.120 -0.000 0.000 0.212 173 V C 1.878 178.067 176.094 0.157 0.000 1.381 173 V CA 0.588 62.956 62.300 0.114 0.000 1.322 173 V CB -0.652 31.265 31.823 0.156 0.000 1.188 173 V HN 0.100 nan 8.190 nan 0.000 0.520 174 A N 0.551 123.483 122.820 0.187 0.000 1.883 174 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 174 A C 2.091 179.775 177.584 0.166 0.000 1.186 174 A CA 2.308 54.483 52.037 0.229 0.000 0.624 174 A CB -0.492 18.656 19.000 0.247 0.000 0.822 174 A HN 0.510 nan 8.150 nan 0.000 0.444 175 K N -0.599 119.856 120.400 0.093 0.000 2.103 175 K HA -0.124 4.196 4.320 -0.000 0.000 0.207 175 K C 2.089 178.727 176.600 0.063 0.000 1.048 175 K CA 1.294 57.618 56.287 0.062 0.000 0.930 175 K CB -0.260 32.254 32.500 0.023 0.000 0.716 175 K HN 0.481 nan 8.250 nan 0.000 0.444 176 A N 0.580 123.444 122.820 0.074 0.000 2.081 176 A HA -0.058 4.262 4.320 -0.000 0.000 0.214 176 A C 0.516 178.136 177.584 0.061 0.000 1.158 176 A CA 0.084 52.151 52.037 0.050 0.000 0.724 176 A CB -0.433 18.592 19.000 0.041 0.000 0.826 176 A HN 0.348 nan 8.150 nan 0.000 0.463 177 H N 0.753 119.832 119.070 0.015 0.000 3.214 177 H HA 0.227 4.783 4.556 -0.000 0.000 0.291 177 H C 0.787 176.090 175.328 -0.043 0.000 0.926 177 H CA 0.524 56.571 56.048 -0.001 0.000 1.409 177 H CB 0.337 30.117 29.762 0.030 0.000 1.406 177 H HN 0.140 nan 8.280 nan 0.000 0.561 178 G N 3.794 112.217 108.800 -0.628 0.000 2.696 178 G HA2 0.538 4.498 3.960 -0.000 0.000 0.329 178 G HA3 0.538 4.498 3.960 -0.000 0.000 0.329 178 G C -0.109 174.315 174.900 -0.795 0.000 0.973 178 G CA 0.260 45.050 45.100 -0.517 0.000 1.257 178 G HN 0.937 nan 8.290 nan 0.000 0.456 179 G N 0.842 109.219 108.800 -0.705 0.000 2.324 179 G HA2 0.371 4.331 3.960 -0.000 0.000 0.293 179 G HA3 0.371 4.331 3.960 -0.000 0.000 0.293 179 G C -1.264 173.401 174.900 -0.391 0.000 1.297 179 G CA -0.961 43.789 45.100 -0.582 0.000 0.853 179 G HN 0.277 nan 8.290 nan 0.000 0.535 180 Y N 0.016 120.319 120.300 0.005 0.000 2.344 180 Y HA 0.759 5.309 4.550 -0.000 0.000 0.330 180 Y C 1.077 177.042 175.900 0.108 0.000 1.330 180 Y CA -0.364 57.703 58.100 -0.055 0.000 1.479 180 Y CB 1.497 39.681 38.460 -0.459 0.000 1.428 180 Y HN 0.477 nan 8.280 nan 0.000 0.544 181 S N -0.206 115.668 115.700 0.290 0.000 2.540 181 S HA 0.692 5.162 4.470 -0.000 0.000 0.275 181 S C -1.653 173.121 174.600 0.290 0.000 1.123 181 S CA -0.819 57.537 58.200 0.260 0.000 0.907 181 S CB 1.859 65.259 63.200 0.333 0.000 1.081 181 S HN 0.299 nan 8.310 nan 0.000 0.476 182 V N 3.091 123.160 119.914 0.259 0.000 2.525 182 V HA 0.535 4.655 4.120 -0.000 0.000 0.299 182 V C -1.392 174.854 176.094 0.254 0.000 1.034 182 V CA -0.625 61.816 62.300 0.235 0.000 0.863 182 V CB 1.362 33.283 31.823 0.164 0.000 0.999 182 V HN 0.848 nan 8.190 nan 0.000 0.423 183 F N 4.463 124.484 119.950 0.118 0.000 2.375 183 F HA 0.803 5.330 4.527 -0.000 0.000 0.361 183 F C 0.282 176.012 175.800 -0.116 0.000 1.117 183 F CA -0.665 57.387 58.000 0.087 0.000 1.037 183 F CB 1.168 40.225 39.000 0.095 0.000 1.192 183 F HN 0.578 nan 8.300 nan 0.000 0.452 184 A N 4.659 127.242 122.820 -0.396 0.000 2.258 184 A HA 0.648 4.968 4.320 -0.000 0.000 0.316 184 A C 0.104 177.392 177.584 -0.493 0.000 1.279 184 A CA -0.296 51.519 52.037 -0.369 0.000 0.876 184 A CB 0.128 18.963 19.000 -0.275 0.000 1.170 184 A HN 1.007 nan 8.150 nan 0.000 0.520 185 G N 1.397 109.884 108.800 -0.521 0.000 2.350 185 G HA2 0.499 4.459 3.960 -0.000 0.000 0.306 185 G HA3 0.499 4.459 3.960 -0.000 0.000 0.306 185 G C -0.592 174.254 174.900 -0.090 0.000 1.094 185 G CA -0.194 44.782 45.100 -0.206 0.000 0.953 185 G HN 0.710 nan 8.290 nan 0.000 0.420 186 V N 2.734 122.617 119.914 -0.052 0.000 2.334 186 V HA 0.583 4.703 4.120 -0.000 0.000 0.281 186 V C 1.179 177.292 176.094 0.032 0.000 1.016 186 V CA 0.278 62.571 62.300 -0.013 0.000 0.832 186 V CB 0.735 32.538 31.823 -0.034 0.000 0.999 186 V HN 1.349 nan 8.190 nan 0.000 0.439 187 G N 3.326 112.155 108.800 0.047 0.000 2.258 187 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.274 187 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.274 187 G C 0.213 175.148 174.900 0.058 0.000 1.021 187 G CA 0.471 45.596 45.100 0.042 0.000 0.798 187 G HN 0.599 nan 8.290 nan 0.000 0.507 188 E N -0.612 119.647 120.200 0.100 0.000 3.029 188 E HA 0.440 4.790 4.350 -0.000 0.000 0.249 188 E C 0.960 177.625 176.600 0.109 0.000 1.089 188 E CA -0.871 55.594 56.400 0.109 0.000 1.089 188 E CB 0.461 30.249 29.700 0.147 0.000 1.428 188 E HN 0.392 nan 8.360 nan 0.000 0.555 189 R N 0.369 120.933 120.500 0.107 0.000 2.298 189 R HA 0.191 4.531 4.340 -0.000 0.000 0.310 189 R C 1.149 177.490 176.300 0.068 0.000 1.068 189 R CA -0.002 56.145 56.100 0.078 0.000 0.957 189 R CB 0.405 30.747 30.300 0.069 0.000 1.003 189 R HN 0.408 nan 8.270 nan 0.000 0.454 190 T N 2.460 117.034 114.554 0.033 0.000 2.684 190 T HA -0.209 4.141 4.350 -0.000 0.000 0.267 190 T C 1.815 176.494 174.700 -0.035 0.000 1.036 190 T CA 1.550 63.639 62.100 -0.018 0.000 1.148 190 T CB -0.148 68.706 68.868 -0.024 0.000 0.863 190 T HN 0.591 nan 8.240 nan 0.000 0.436 191 R N 1.164 121.664 120.500 0.000 0.000 2.140 191 R HA -0.206 4.134 4.340 -0.000 0.000 0.250 191 R C 2.125 178.429 176.300 0.005 0.000 1.150 191 R CA 2.121 58.225 56.100 0.008 0.000 0.966 191 R CB -0.242 30.075 30.300 0.029 0.000 0.869 191 R HN 0.510 nan 8.270 nan 0.000 0.445 192 E N -1.002 119.213 120.200 0.025 0.000 2.110 192 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 192 E C 1.914 178.510 176.600 -0.007 0.000 0.988 192 E CA 1.060 57.484 56.400 0.041 0.000 0.804 192 E CB -0.175 29.587 29.700 0.103 0.000 0.745 192 E HN 0.667 nan 8.360 nan 0.000 0.458 193 G N 0.935 109.676 108.800 -0.097 0.000 2.422 193 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.218 193 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.218 193 G C 1.399 176.132 174.900 -0.279 0.000 1.140 193 G CA 0.808 45.691 45.100 -0.362 0.000 0.775 193 G HN 0.175 nan 8.290 nan 0.000 0.545 194 N N 0.336 118.932 118.700 -0.175 0.000 2.216 194 N HA -0.059 4.681 4.740 -0.000 0.000 0.183 194 N C 1.634 177.158 175.510 0.023 0.000 1.017 194 N CA 1.235 54.242 53.050 -0.071 0.000 0.861 194 N CB 0.018 38.504 38.487 -0.000 0.000 0.986 194 N HN 0.077 nan 8.380 nan 0.000 0.428 195 D N 0.100 120.509 120.400 0.015 0.000 2.097 195 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 195 D C 1.884 178.187 176.300 0.005 0.000 0.984 195 D CA 0.624 54.645 54.000 0.035 0.000 0.826 195 D CB -0.441 40.374 40.800 0.025 0.000 0.973 195 D HN 0.235 nan 8.370 nan 0.000 0.460 196 L N -0.014 121.182 121.223 -0.046 0.000 1.994 196 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 196 L C 2.277 179.123 176.870 -0.039 0.000 1.071 196 L CA 1.508 56.290 54.840 -0.097 0.000 0.745 196 L CB -0.846 41.071 42.059 -0.237 0.000 0.892 196 L HN 0.003 nan 8.230 nan 0.000 0.431 197 Y N 0.493 120.678 120.300 -0.192 0.000 2.040 197 Y HA -0.364 4.186 4.550 -0.000 0.000 0.275 197 Y C 2.658 178.448 175.900 -0.183 0.000 1.171 197 Y CA 2.408 60.377 58.100 -0.218 0.000 1.123 197 Y CB -0.999 37.238 38.460 -0.372 0.000 0.963 197 Y HN 0.466 nan 8.280 nan 0.000 0.493 198 H N -0.999 118.016 119.070 -0.091 0.000 2.489 198 H HA -0.101 4.455 4.556 -0.000 0.000 0.293 198 H C 2.039 177.276 175.328 -0.151 0.000 1.066 198 H CA 1.162 57.090 56.048 -0.199 0.000 1.305 198 H CB 0.119 29.823 29.762 -0.097 0.000 1.386 198 H HN 0.468 nan 8.280 nan 0.000 0.551 199 E N -0.274 119.921 120.200 -0.007 0.000 2.086 199 E HA -0.105 4.245 4.350 -0.000 0.000 0.190 199 E C 1.793 178.358 176.600 -0.058 0.000 0.975 199 E CA 0.473 56.853 56.400 -0.033 0.000 0.813 199 E CB 0.225 29.901 29.700 -0.040 0.000 0.768 199 E HN 0.282 nan 8.360 nan 0.000 0.457 200 M N 0.214 119.770 119.600 -0.073 0.000 2.082 200 M HA -0.177 4.303 4.480 -0.000 0.000 0.258 200 M C 2.221 178.475 176.300 -0.076 0.000 1.069 200 M CA 1.510 56.774 55.300 -0.060 0.000 1.102 200 M CB -0.848 31.733 32.600 -0.032 0.000 1.336 200 M HN 0.182 nan 8.290 nan 0.000 0.404 201 I N -0.222 120.263 120.570 -0.142 0.000 2.113 201 I HA -0.255 3.915 4.170 -0.000 0.000 0.238 201 I C 2.292 178.362 176.117 -0.078 0.000 1.070 201 I CA 1.056 62.273 61.300 -0.137 0.000 1.332 201 I CB -0.467 37.404 38.000 -0.215 0.000 1.044 201 I HN 0.224 nan 8.210 nan 0.000 0.402 202 E N 0.701 120.862 120.200 -0.066 0.000 2.333 202 E HA -0.189 4.161 4.350 -0.000 0.000 0.200 202 E C 1.787 178.362 176.600 -0.041 0.000 1.010 202 E CA 1.461 57.831 56.400 -0.050 0.000 0.841 202 E CB -0.257 29.416 29.700 -0.045 0.000 0.757 202 E HN 0.551 nan 8.360 nan 0.000 0.508 203 S N -2.235 113.441 115.700 -0.040 0.000 2.663 203 S HA 0.356 4.826 4.470 -0.000 0.000 0.243 203 S C 1.374 175.961 174.600 -0.022 0.000 1.009 203 S CA 0.345 58.528 58.200 -0.029 0.000 0.988 203 S CB 0.625 63.808 63.200 -0.029 0.000 0.896 203 S HN 0.195 nan 8.310 nan 0.000 0.502 204 G N 1.248 110.033 108.800 -0.026 0.000 2.186 204 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.266 204 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.266 204 G C 0.797 175.695 174.900 -0.004 0.000 0.982 204 G CA 0.561 45.651 45.100 -0.016 0.000 0.670 204 G HN 0.937 nan 8.290 nan 0.000 0.533 205 V N -0.561 119.352 119.914 -0.001 0.000 2.626 205 V HA 0.194 4.314 4.120 -0.000 0.000 0.252 205 V C 1.589 177.705 176.094 0.036 0.000 1.067 205 V CA 1.484 63.798 62.300 0.024 0.000 1.081 205 V CB -0.246 31.597 31.823 0.033 0.000 0.686 205 V HN 0.506 nan 8.190 nan 0.000 0.468 206 I N 1.287 121.864 120.570 0.013 0.000 2.404 206 I HA 0.397 4.567 4.170 -0.000 0.000 0.293 206 I C -0.462 175.653 176.117 -0.003 0.000 0.992 206 I CA -0.220 61.093 61.300 0.021 0.000 1.149 206 I CB 1.647 39.651 38.000 0.008 0.000 1.315 206 I HN 0.089 nan 8.210 nan 0.000 0.446 207 N N 6.649 125.359 118.700 0.016 0.000 2.442 207 N HA 0.367 5.107 4.740 -0.000 0.000 0.274 207 N C 0.161 175.681 175.510 0.017 0.000 1.002 207 N CA -0.401 52.654 53.050 0.008 0.000 0.910 207 N CB 1.817 40.313 38.487 0.015 0.000 1.244 207 N HN 0.558 nan 8.380 nan 0.000 0.492 208 L N 2.152 123.379 121.223 0.007 0.000 2.509 208 L HA 0.134 4.474 4.340 -0.000 0.000 0.222 208 L C 1.712 178.596 176.870 0.023 0.000 1.123 208 L CA 0.461 55.315 54.840 0.024 0.000 0.856 208 L CB 0.049 42.120 42.059 0.019 0.000 0.985 208 L HN 0.274 nan 8.230 nan 0.000 0.456 209 K N 0.031 120.440 120.400 0.015 0.000 2.276 209 K HA 0.103 4.423 4.320 -0.000 0.000 0.198 209 K C 0.282 176.892 176.600 0.015 0.000 1.052 209 K CA 0.508 56.803 56.287 0.013 0.000 0.984 209 K CB 0.214 32.718 32.500 0.007 0.000 0.836 209 K HN 0.405 nan 8.250 nan 0.000 0.490 210 D N -1.530 118.879 120.400 0.016 0.000 2.727 210 D HA 0.338 4.978 4.640 -0.000 0.000 0.264 210 D C -0.508 175.806 176.300 0.023 0.000 1.101 210 D CA -0.817 53.194 54.000 0.018 0.000 1.122 210 D CB 0.435 41.244 40.800 0.014 0.000 1.390 210 D HN -0.137 nan 8.370 nan 0.000 0.606 211 A N -0.576 122.258 122.820 0.024 0.000 2.797 211 A HA 0.335 4.655 4.320 -0.000 0.000 0.287 211 A C 0.933 178.540 177.584 0.038 0.000 1.369 211 A CA 0.207 52.262 52.037 0.031 0.000 0.968 211 A CB -1.210 17.807 19.000 0.029 0.000 1.069 211 A HN 0.562 nan 8.150 nan 0.000 0.571 212 T N -2.952 111.623 114.554 0.034 0.000 3.163 212 T HA 0.178 4.528 4.350 -0.000 0.000 0.252 212 T C 0.554 175.284 174.700 0.049 0.000 1.056 212 T CA 0.068 62.189 62.100 0.036 0.000 0.947 212 T CB -0.349 68.531 68.868 0.020 0.000 1.016 212 T HN 0.156 nan 8.240 nan 0.000 0.554 213 S N 1.759 117.493 115.700 0.058 0.000 2.533 213 S HA 0.247 4.717 4.470 -0.000 0.000 0.282 213 S C 0.793 175.460 174.600 0.112 0.000 1.304 213 S CA -0.380 57.864 58.200 0.073 0.000 1.063 213 S CB 0.854 64.096 63.200 0.070 0.000 0.881 213 S HN 0.413 nan 8.310 nan 0.000 0.493 214 K N 1.967 122.439 120.400 0.120 0.000 2.478 214 K HA 0.308 4.628 4.320 -0.000 0.000 0.205 214 K C -1.131 175.590 176.600 0.202 0.000 1.033 214 K CA 0.091 56.484 56.287 0.177 0.000 1.091 214 K CB 0.577 33.136 32.500 0.098 0.000 0.844 214 K HN 0.382 nan 8.250 nan 0.000 0.507 215 V N 0.936 120.952 119.914 0.170 0.000 2.655 215 V HA 0.406 4.526 4.120 -0.000 0.000 0.301 215 V C -0.791 175.412 176.094 0.180 0.000 1.082 215 V CA -1.214 61.202 62.300 0.193 0.000 0.899 215 V CB 1.560 33.491 31.823 0.180 0.000 1.014 215 V HN 0.139 nan 8.190 nan 0.000 0.429 216 A N 5.560 128.503 122.820 0.206 0.000 2.303 216 A HA 0.968 5.288 4.320 -0.000 0.000 0.317 216 A C -0.802 176.891 177.584 0.181 0.000 1.149 216 A CA -0.455 51.691 52.037 0.181 0.000 0.822 216 A CB 0.818 19.938 19.000 0.199 0.000 1.131 216 A HN 0.814 nan 8.150 nan 0.000 0.493 217 L N 1.681 122.996 121.223 0.154 0.000 2.362 217 L HA 0.698 5.038 4.340 -0.000 0.000 0.271 217 L C -0.955 175.973 176.870 0.097 0.000 1.002 217 L CA -0.899 54.043 54.840 0.170 0.000 0.818 217 L CB 2.140 44.364 42.059 0.276 0.000 1.298 217 L HN 0.417 nan 8.230 nan 0.000 0.420 218 V N 1.797 121.689 119.914 -0.036 0.000 2.638 218 V HA 0.506 4.626 4.120 -0.000 0.000 0.306 218 V C -1.410 174.536 176.094 -0.248 0.000 1.052 218 V CA -0.722 61.543 62.300 -0.058 0.000 0.885 218 V CB 1.991 33.766 31.823 -0.080 0.000 0.999 218 V HN 0.457 nan 8.190 nan 0.000 0.424 219 Y N 1.220 121.533 120.300 0.023 0.000 2.457 219 Y HA 0.731 5.281 4.550 -0.000 0.000 0.343 219 Y C 0.536 176.443 175.900 0.012 0.000 0.994 219 Y CA -0.596 57.522 58.100 0.030 0.000 1.031 219 Y CB 2.843 41.311 38.460 0.013 0.000 1.246 219 Y HN 0.730 nan 8.280 nan 0.000 0.449 220 G N 3.574 112.468 108.800 0.157 0.000 4.184 220 G HA2 0.229 4.189 3.960 -0.000 0.000 0.282 220 G HA3 0.229 4.189 3.960 -0.000 0.000 0.282 220 G C -0.852 174.110 174.900 0.103 0.000 1.223 220 G CA -0.582 44.576 45.100 0.097 0.000 0.773 220 G HN 0.317 nan 8.290 nan 0.000 0.519 221 Q N 0.541 120.423 119.800 0.136 0.000 2.584 221 Q HA 0.205 4.545 4.340 -0.000 0.000 0.218 221 Q C 1.821 177.858 176.000 0.062 0.000 1.079 221 Q CA -0.345 55.526 55.803 0.114 0.000 1.008 221 Q CB 0.728 29.537 28.738 0.118 0.000 1.267 221 Q HN 0.456 nan 8.270 nan 0.000 0.586 222 M N 0.767 120.398 119.600 0.051 0.000 2.530 222 M HA -0.195 4.285 4.480 -0.000 0.000 0.261 222 M C 1.148 177.460 176.300 0.021 0.000 1.067 222 M CA 1.409 56.727 55.300 0.029 0.000 1.071 222 M CB -0.567 32.048 32.600 0.026 0.000 1.405 222 M HN 0.599 nan 8.290 nan 0.000 0.478 223 N N -0.565 118.149 118.700 0.023 0.000 2.322 223 N HA 0.039 4.779 4.740 -0.000 0.000 0.194 223 N C -0.192 175.327 175.510 0.015 0.000 1.126 223 N CA -0.221 52.838 53.050 0.016 0.000 0.845 223 N CB 0.297 38.792 38.487 0.013 0.000 0.976 223 N HN 0.160 nan 8.380 nan 0.000 0.475 224 E N 1.569 121.780 120.200 0.018 0.000 2.250 224 E HA 0.354 4.704 4.350 -0.000 0.000 0.269 224 E C -2.416 174.188 176.600 0.007 0.000 1.018 224 E CA -2.196 54.213 56.400 0.015 0.000 0.873 224 E CB 0.830 30.543 29.700 0.022 0.000 1.134 224 E HN 0.099 nan 8.360 nan 0.000 0.403 225 P HA 0.096 nan 4.420 nan 0.000 0.275 225 P C -1.876 175.421 177.300 -0.005 0.000 1.228 225 P CA -1.129 61.971 63.100 0.000 0.000 0.786 225 P CB 0.080 31.781 31.700 0.003 0.000 0.927 226 P HA -0.321 nan 4.420 nan 0.000 0.219 226 P C 1.543 178.830 177.300 -0.022 0.000 1.161 226 P CA 2.471 65.553 63.100 -0.029 0.000 0.909 226 P CB -0.740 30.938 31.700 -0.036 0.000 0.793 227 G N 0.393 109.188 108.800 -0.008 0.000 2.529 227 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.219 227 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.219 227 G C 1.874 176.784 174.900 0.017 0.000 1.177 227 G CA 1.780 46.884 45.100 0.007 0.000 0.773 227 G HN 0.444 nan 8.290 nan 0.000 0.573 228 A N 0.449 123.278 122.820 0.016 0.000 1.902 228 A HA -0.025 4.295 4.320 -0.000 0.000 0.217 228 A C 2.443 180.041 177.584 0.024 0.000 1.181 228 A CA 1.732 53.782 52.037 0.022 0.000 0.623 228 A CB -0.403 18.610 19.000 0.022 0.000 0.818 228 A HN 0.375 nan 8.150 nan 0.000 0.443 229 R N -0.759 119.748 120.500 0.013 0.000 2.148 229 R HA -0.010 4.330 4.340 -0.000 0.000 0.227 229 R C 2.129 178.448 176.300 0.032 0.000 1.103 229 R CA 0.934 57.041 56.100 0.011 0.000 0.983 229 R CB -0.300 29.992 30.300 -0.014 0.000 0.874 229 R HN 0.507 nan 8.270 nan 0.000 0.451 230 A N 0.334 123.167 122.820 0.022 0.000 2.206 230 A HA 0.004 4.324 4.320 -0.000 0.000 0.211 230 A C 1.666 179.370 177.584 0.199 0.000 1.158 230 A CA 0.677 52.745 52.037 0.052 0.000 0.761 230 A CB 0.145 19.120 19.000 -0.041 0.000 0.801 230 A HN 0.069 nan 8.150 nan 0.000 0.473 231 R N -1.140 119.425 120.500 0.109 0.000 2.310 231 R HA 0.065 4.405 4.340 -0.000 0.000 0.199 231 R C 1.930 178.229 176.300 -0.003 0.000 0.891 231 R CA 1.252 57.388 56.100 0.059 0.000 1.060 231 R CB -0.870 29.449 30.300 0.033 0.000 1.188 231 R HN 0.426 nan 8.270 nan 0.000 0.607 232 V N 0.709 120.623 119.914 -0.000 0.000 2.277 232 V HA -0.270 3.850 4.120 -0.000 0.000 0.253 232 V C 2.483 178.526 176.094 -0.084 0.000 1.067 232 V CA 2.205 64.482 62.300 -0.037 0.000 1.047 232 V CB -1.516 30.288 31.823 -0.030 0.000 0.649 232 V HN 0.201 nan 8.190 nan 0.000 0.447 233 A N 0.656 123.424 122.820 -0.088 0.000 1.948 233 A HA -0.134 4.186 4.320 -0.000 0.000 0.220 233 A C 2.282 179.748 177.584 -0.198 0.000 1.177 233 A CA 2.365 54.301 52.037 -0.168 0.000 0.636 233 A CB -0.640 18.220 19.000 -0.233 0.000 0.815 233 A HN 0.589 nan 8.150 nan 0.000 0.449 234 L N -1.152 119.960 121.223 -0.186 0.000 2.017 234 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 234 L C 2.833 179.595 176.870 -0.181 0.000 1.073 234 L CA 1.895 56.605 54.840 -0.217 0.000 0.745 234 L CB -1.280 40.619 42.059 -0.268 0.000 0.894 234 L HN 0.349 nan 8.230 nan 0.000 0.432 235 T N -0.027 114.441 114.554 -0.144 0.000 2.665 235 T HA -0.173 4.177 4.350 -0.000 0.000 0.268 235 T C 1.817 176.443 174.700 -0.124 0.000 1.035 235 T CA 1.550 63.578 62.100 -0.119 0.000 1.151 235 T CB -0.663 68.155 68.868 -0.083 0.000 0.862 235 T HN 0.579 nan 8.240 nan 0.000 0.438 236 G N 1.593 110.317 108.800 -0.127 0.000 2.459 236 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.217 236 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.217 236 G C 1.554 176.377 174.900 -0.128 0.000 1.183 236 G CA 1.165 46.190 45.100 -0.126 0.000 0.776 236 G HN 0.482 nan 8.290 nan 0.000 0.552 237 L N 0.809 121.940 121.223 -0.152 0.000 2.079 237 L HA -0.024 4.316 4.340 -0.000 0.000 0.210 237 L C 2.772 179.563 176.870 -0.132 0.000 1.081 237 L CA 2.803 57.554 54.840 -0.149 0.000 0.752 237 L CB -0.973 40.978 42.059 -0.179 0.000 0.896 237 L HN 0.187 nan 8.230 nan 0.000 0.433 238 T N -0.893 113.577 114.554 -0.140 0.000 2.746 238 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 238 T C 1.974 176.582 174.700 -0.155 0.000 1.039 238 T CA 1.599 63.620 62.100 -0.132 0.000 1.142 238 T CB -0.428 68.362 68.868 -0.130 0.000 0.866 238 T HN 0.232 nan 8.240 nan 0.000 0.444 239 V N 1.793 121.601 119.914 -0.177 0.000 2.255 239 V HA -0.215 3.905 4.120 -0.000 0.000 0.247 239 V C 2.912 178.824 176.094 -0.303 0.000 1.051 239 V CA 1.855 63.994 62.300 -0.269 0.000 1.018 239 V CB -1.251 30.461 31.823 -0.186 0.000 0.641 239 V HN 0.543 nan 8.190 nan 0.000 0.445 240 A N -0.342 122.403 122.820 -0.125 0.000 1.908 240 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 240 A C 2.116 179.678 177.584 -0.037 0.000 1.181 240 A CA 2.033 54.061 52.037 -0.014 0.000 0.627 240 A CB -0.552 18.447 19.000 -0.002 0.000 0.818 240 A HN 0.667 nan 8.150 nan 0.000 0.445 241 E N -1.755 118.400 120.200 -0.075 0.000 2.204 241 E HA -0.215 4.135 4.350 -0.000 0.000 0.195 241 E C 1.740 178.305 176.600 -0.058 0.000 0.990 241 E CA 1.328 57.694 56.400 -0.056 0.000 0.821 241 E CB -0.328 29.335 29.700 -0.061 0.000 0.750 241 E HN 0.844 nan 8.360 nan 0.000 0.477 242 Y N 0.686 120.835 120.300 -0.252 0.000 2.114 242 Y HA -0.260 4.290 4.550 -0.000 0.000 0.284 242 Y C 1.736 177.548 175.900 -0.147 0.000 1.143 242 Y CA 1.583 59.516 58.100 -0.280 0.000 1.135 242 Y CB -0.291 37.871 38.460 -0.498 0.000 0.980 242 Y HN -0.076 nan 8.280 nan 0.000 0.499 243 F N 0.624 120.617 119.950 0.072 0.000 2.333 243 F HA -0.100 4.427 4.527 -0.000 0.000 0.300 243 F C 2.626 178.399 175.800 -0.045 0.000 1.083 243 F CA 1.478 59.480 58.000 0.004 0.000 1.395 243 F CB -0.862 38.247 39.000 0.182 0.000 1.056 243 F HN 0.104 nan 8.300 nan 0.000 0.529 244 R N 0.243 120.797 120.500 0.090 0.000 2.062 244 R HA -0.088 4.252 4.340 -0.000 0.000 0.226 244 R C 1.462 177.744 176.300 -0.030 0.000 1.125 244 R CA 1.681 57.804 56.100 0.038 0.000 0.966 244 R CB -0.100 30.208 30.300 0.014 0.000 0.861 244 R HN 0.112 nan 8.270 nan 0.000 0.433 245 D N -0.041 120.305 120.400 -0.089 0.000 2.355 245 D HA -0.057 4.583 4.640 -0.000 0.000 0.233 245 D C 1.974 178.175 176.300 -0.165 0.000 0.997 245 D CA 0.665 54.602 54.000 -0.105 0.000 0.920 245 D CB -0.342 40.406 40.800 -0.086 0.000 1.063 245 D HN 0.079 nan 8.370 nan 0.000 0.465 246 Q N 0.613 120.223 119.800 -0.317 0.000 2.364 246 Q HA -0.062 4.278 4.340 -0.000 0.000 0.209 246 Q C 1.300 177.089 176.000 -0.352 0.000 0.977 246 Q CA 0.961 56.526 55.803 -0.397 0.000 0.885 246 Q CB 0.091 28.413 28.738 -0.693 0.000 0.941 246 Q HN 0.557 nan 8.270 nan 0.000 0.464 247 E N -1.676 118.350 120.200 -0.290 0.000 2.421 247 E HA 0.193 4.543 4.350 -0.000 0.000 0.209 247 E C 0.717 177.304 176.600 -0.021 0.000 0.871 247 E CA 0.422 56.770 56.400 -0.087 0.000 1.064 247 E CB 0.842 30.570 29.700 0.048 0.000 1.075 247 E HN 0.338 nan 8.360 nan 0.000 0.513 248 G N 2.441 111.225 108.800 -0.026 0.000 2.143 248 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.249 248 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.249 248 G C 0.179 175.093 174.900 0.023 0.000 0.981 248 G CA 0.575 45.671 45.100 -0.006 0.000 0.665 248 G HN 0.221 nan 8.290 nan 0.000 0.528 249 Q N -0.382 119.459 119.800 0.068 0.000 2.407 249 Q HA 0.436 4.776 4.340 -0.000 0.000 0.214 249 Q C -0.549 175.496 176.000 0.074 0.000 1.043 249 Q CA -0.435 55.407 55.803 0.065 0.000 0.983 249 Q CB 0.381 29.180 28.738 0.101 0.000 1.211 249 Q HN 0.217 nan 8.270 nan 0.000 0.564 250 D N 0.803 121.239 120.400 0.060 0.000 2.365 250 D HA 0.225 4.865 4.640 -0.000 0.000 0.237 250 D C -1.133 175.290 176.300 0.205 0.000 1.190 250 D CA -0.004 54.067 54.000 0.118 0.000 0.867 250 D CB 0.813 41.706 40.800 0.154 0.000 1.050 250 D HN 0.099 nan 8.370 nan 0.000 0.491 251 V N 2.888 122.875 119.914 0.122 0.000 2.716 251 V HA 0.436 4.556 4.120 -0.000 0.000 0.304 251 V C 0.352 176.388 176.094 -0.098 0.000 1.053 251 V CA -0.898 61.462 62.300 0.101 0.000 0.984 251 V CB 1.681 33.596 31.823 0.153 0.000 1.021 251 V HN 0.344 nan 8.190 nan 0.000 0.467 252 L N 4.047 125.163 121.223 -0.178 0.000 2.325 252 L HA 0.503 4.843 4.340 -0.000 0.000 0.281 252 L C -1.110 175.525 176.870 -0.392 0.000 1.004 252 L CA -0.579 54.016 54.840 -0.409 0.000 0.823 252 L CB 1.691 43.454 42.059 -0.493 0.000 1.236 252 L HN 0.424 nan 8.230 nan 0.000 0.415 253 L N 4.393 125.310 121.223 -0.509 0.000 2.305 253 L HA 0.586 4.926 4.340 -0.000 0.000 0.284 253 L C -1.189 175.342 176.870 -0.564 0.000 1.013 253 L CA -0.014 54.596 54.840 -0.384 0.000 0.819 253 L CB 1.012 42.920 42.059 -0.251 0.000 1.227 253 L HN 0.179 nan 8.230 nan 0.000 0.417 254 F N 5.966 125.818 119.950 -0.162 0.000 2.444 254 F HA 0.618 5.145 4.527 -0.000 0.000 0.342 254 F C 0.008 175.459 175.800 -0.582 0.000 1.121 254 F CA -0.506 57.319 58.000 -0.292 0.000 0.997 254 F CB 1.447 40.360 39.000 -0.145 0.000 1.130 254 F HN 0.223 nan 8.300 nan 0.000 0.454 255 I N 2.673 123.053 120.570 -0.316 0.000 2.466 255 I HA 0.348 4.518 4.170 -0.000 0.000 0.289 255 I C -1.427 174.514 176.117 -0.294 0.000 1.026 255 I CA -0.543 60.530 61.300 -0.379 0.000 1.078 255 I CB 2.156 40.002 38.000 -0.256 0.000 1.249 255 I HN 0.440 nan 8.210 nan 0.000 0.429 256 D N 5.903 126.118 120.400 -0.308 0.000 2.478 256 D HA 0.241 4.881 4.640 -0.000 0.000 0.240 256 D C -1.476 174.811 176.300 -0.022 0.000 1.364 256 D CA -0.316 53.630 54.000 -0.090 0.000 0.987 256 D CB 1.159 41.966 40.800 0.011 0.000 1.328 256 D HN 0.398 nan 8.370 nan 0.000 0.584 257 N N 4.452 123.163 118.700 0.017 0.000 2.346 257 N HA 0.179 4.919 4.740 -0.000 0.000 0.289 257 N C 0.603 176.142 175.510 0.049 0.000 1.027 257 N CA -0.520 52.556 53.050 0.043 0.000 0.864 257 N CB 1.599 40.162 38.487 0.127 0.000 1.370 257 N HN 0.327 nan 8.380 nan 0.000 0.481 258 I N 3.951 124.526 120.570 0.009 0.000 2.530 258 I HA -0.146 4.024 4.170 -0.000 0.000 0.257 258 I C 1.731 177.920 176.117 0.121 0.000 1.179 258 I CA 0.763 62.072 61.300 0.014 0.000 1.440 258 I CB -0.649 37.306 38.000 -0.073 0.000 1.087 258 I HN 0.623 nan 8.210 nan 0.000 0.440 259 F N 1.670 121.650 119.950 0.050 0.000 2.126 259 F HA -0.261 4.266 4.527 -0.000 0.000 0.299 259 F C 2.353 178.223 175.800 0.117 0.000 1.096 259 F CA 1.571 59.638 58.000 0.111 0.000 1.255 259 F CB -0.455 38.660 39.000 0.192 0.000 0.997 259 F HN -0.009 nan 8.300 nan 0.000 0.479 260 R N 0.204 120.643 120.500 -0.101 0.000 2.170 260 R HA -0.249 4.091 4.340 -0.000 0.000 0.242 260 R C 2.184 178.376 176.300 -0.179 0.000 1.145 260 R CA 1.671 57.644 56.100 -0.211 0.000 0.984 260 R CB -2.023 28.259 30.300 -0.030 0.000 0.869 260 R HN 0.543 nan 8.270 nan 0.000 0.455 261 F N 1.603 121.433 119.950 -0.200 0.000 2.146 261 F HA -0.139 4.388 4.527 -0.000 0.000 0.298 261 F C 1.897 177.597 175.800 -0.167 0.000 1.096 261 F CA 1.612 59.521 58.000 -0.150 0.000 1.275 261 F CB -0.395 38.535 39.000 -0.116 0.000 1.008 261 F HN -0.133 nan 8.300 nan 0.000 0.480 262 T N 0.143 114.467 114.554 -0.383 0.000 2.942 262 T HA -0.166 4.184 4.350 -0.000 0.000 0.265 262 T C 1.880 176.343 174.700 -0.394 0.000 1.062 262 T CA 1.312 63.150 62.100 -0.436 0.000 1.139 262 T CB -0.265 68.505 68.868 -0.163 0.000 0.883 262 T HN 0.461 nan 8.240 nan 0.000 0.468 263 Q N 0.531 119.970 119.800 -0.601 0.000 2.172 263 Q HA 0.003 4.343 4.340 -0.000 0.000 0.200 263 Q C 2.475 178.320 176.000 -0.257 0.000 0.964 263 Q CA 1.055 56.595 55.803 -0.438 0.000 0.855 263 Q CB -0.207 28.141 28.738 -0.649 0.000 0.918 263 Q HN 0.515 nan 8.270 nan 0.000 0.444 264 A N 0.782 123.433 122.820 -0.281 0.000 1.865 264 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 264 A C 2.272 179.742 177.584 -0.189 0.000 1.191 264 A CA 1.859 53.780 52.037 -0.194 0.000 0.623 264 A CB -1.471 17.428 19.000 -0.169 0.000 0.826 264 A HN 0.587 nan 8.150 nan 0.000 0.444 265 G N -0.402 108.229 108.800 -0.280 0.000 2.418 265 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 265 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 265 G C 2.002 176.827 174.900 -0.125 0.000 1.158 265 G CA 1.937 46.902 45.100 -0.225 0.000 0.771 265 G HN 0.938 nan 8.290 nan 0.000 0.545 266 S N 0.800 116.440 115.700 -0.100 0.000 2.419 266 S HA -0.093 4.377 4.470 -0.000 0.000 0.233 266 S C 1.990 176.550 174.600 -0.065 0.000 1.016 266 S CA 1.714 59.884 58.200 -0.049 0.000 0.974 266 S CB -0.369 62.818 63.200 -0.023 0.000 0.786 266 S HN 0.610 nan 8.310 nan 0.000 0.492 267 E N 0.776 120.931 120.200 -0.076 0.000 2.268 267 E HA -0.045 4.305 4.350 -0.000 0.000 0.195 267 E C 2.008 178.580 176.600 -0.046 0.000 0.995 267 E CA 1.355 57.720 56.400 -0.058 0.000 0.836 267 E CB -0.177 29.490 29.700 -0.055 0.000 0.763 267 E HN 0.751 nan 8.360 nan 0.000 0.491 268 V N -2.909 116.976 119.914 -0.048 0.000 3.621 268 V HA 0.117 4.237 4.120 -0.000 0.000 0.263 268 V C 2.142 178.220 176.094 -0.027 0.000 1.272 268 V CA 0.486 62.766 62.300 -0.033 0.000 1.080 268 V CB 0.657 32.461 31.823 -0.031 0.000 0.816 268 V HN 0.046 nan 8.190 nan 0.000 0.451 269 S N 1.816 117.496 115.700 -0.033 0.000 2.390 269 S HA -0.331 4.139 4.470 -0.000 0.000 0.234 269 S C 2.184 176.776 174.600 -0.014 0.000 1.063 269 S CA 2.852 61.038 58.200 -0.022 0.000 1.108 269 S CB -0.615 62.574 63.200 -0.018 0.000 0.975 269 S HN 1.068 nan 8.310 nan 0.000 0.442 270 A N 1.253 124.064 122.820 -0.016 0.000 1.877 270 A HA 0.037 4.357 4.320 -0.000 0.000 0.216 270 A C 2.120 179.699 177.584 -0.008 0.000 1.186 270 A CA 1.561 53.592 52.037 -0.011 0.000 0.620 270 A CB -0.837 18.155 19.000 -0.014 0.000 0.822 270 A HN 0.607 nan 8.150 nan 0.000 0.443 271 L N -0.674 120.544 121.223 -0.010 0.000 2.549 271 L HA -0.076 4.264 4.340 -0.000 0.000 0.230 271 L C 1.568 178.436 176.870 -0.002 0.000 1.162 271 L CA 0.409 55.246 54.840 -0.006 0.000 0.834 271 L CB -0.464 41.591 42.059 -0.006 0.000 0.947 271 L HN 0.351 nan 8.230 nan 0.000 0.452 272 L N -0.227 120.994 121.223 -0.003 0.000 2.607 272 L HA 0.219 4.559 4.340 -0.000 0.000 0.228 272 L C 1.113 177.985 176.870 0.004 0.000 1.123 272 L CA 0.081 54.922 54.840 0.002 0.000 0.890 272 L CB -0.084 41.974 42.059 -0.002 0.000 1.103 272 L HN 0.384 nan 8.230 nan 0.000 0.468 273 G N 1.519 110.321 108.800 0.003 0.000 2.326 273 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.286 273 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.286 273 G C -0.064 174.839 174.900 0.005 0.000 1.096 273 G CA -0.191 44.911 45.100 0.004 0.000 1.003 273 G HN 0.374 nan 8.290 nan 0.000 0.503 274 R N -0.830 119.673 120.500 0.004 0.000 2.670 274 R HA 0.597 4.937 4.340 -0.000 0.000 0.289 274 R C 0.478 176.783 176.300 0.008 0.000 0.965 274 R CA -1.126 54.978 56.100 0.007 0.000 0.899 274 R CB 1.612 31.916 30.300 0.007 0.000 1.173 274 R HN 0.254 nan 8.270 nan 0.000 0.456 275 I N 4.288 124.865 120.570 0.011 0.000 2.556 275 I HA 0.084 4.254 4.170 -0.000 0.000 0.284 275 I C -1.633 174.494 176.117 0.017 0.000 1.114 275 I CA -1.573 59.734 61.300 0.012 0.000 1.418 275 I CB 0.372 38.380 38.000 0.013 0.000 1.394 275 I HN 0.258 nan 8.210 nan 0.000 0.552 276 P HA 0.051 nan 4.420 nan 0.000 0.271 276 P C -0.280 177.043 177.300 0.038 0.000 1.218 276 P CA -0.176 62.937 63.100 0.022 0.000 0.780 276 P CB 1.131 32.835 31.700 0.008 0.000 0.901 277 S N 1.372 117.110 115.700 0.063 0.000 2.481 277 S HA 0.605 5.075 4.470 -0.000 0.000 0.267 277 S C 0.273 174.927 174.600 0.090 0.000 1.174 277 S CA -0.240 58.006 58.200 0.077 0.000 1.027 277 S CB 0.025 63.285 63.200 0.101 0.000 1.117 277 S HN 0.600 nan 8.310 nan 0.000 0.495 278 A N -0.152 122.733 122.820 0.108 0.000 2.313 278 A HA 0.508 4.828 4.320 -0.000 0.000 0.261 278 A C 0.939 178.627 177.584 0.173 0.000 1.090 278 A CA 0.133 52.236 52.037 0.111 0.000 0.807 278 A CB -0.400 18.657 19.000 0.096 0.000 1.055 278 A HN 1.599 nan 8.150 nan 0.000 0.492 279 V N -0.184 119.805 119.914 0.125 0.000 3.292 279 V HA -0.322 3.798 4.120 -0.000 0.000 0.184 279 V C 1.764 177.815 176.094 -0.073 0.000 0.459 279 V CA 1.849 64.210 62.300 0.102 0.000 1.088 279 V CB -2.512 29.462 31.823 0.251 0.000 1.239 279 V HN 2.883 nan 8.190 nan 0.000 1.148 280 G N -2.854 105.908 108.800 -0.063 0.000 2.241 280 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.244 280 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.244 280 G C -0.006 174.779 174.900 -0.191 0.000 0.998 280 G CA 0.245 45.252 45.100 -0.154 0.000 0.621 280 G HN 0.837 nan 8.290 nan 0.000 0.519 281 Y N 2.575 122.901 120.300 0.043 0.000 2.546 281 Y HA 0.325 4.875 4.550 -0.000 0.000 0.351 281 Y C 1.558 177.466 175.900 0.014 0.000 1.266 281 Y CA 0.502 58.622 58.100 0.033 0.000 1.487 281 Y CB 0.364 38.856 38.460 0.052 0.000 1.365 281 Y HN 0.491 nan 8.280 nan 0.000 0.642 282 Q N 2.984 122.893 119.800 0.181 0.000 2.354 282 Q HA 0.157 4.497 4.340 -0.000 0.000 0.244 282 Q C -2.283 173.772 176.000 0.091 0.000 0.969 282 Q CA -1.864 53.990 55.803 0.086 0.000 0.885 282 Q CB 0.926 29.691 28.738 0.044 0.000 1.241 282 Q HN 0.355 nan 8.270 nan 0.000 0.461 283 P HA -0.072 nan 4.420 nan 0.000 0.230 283 P C 0.876 178.203 177.300 0.045 0.000 1.158 283 P CA 1.233 64.365 63.100 0.053 0.000 0.769 283 P CB -0.026 31.696 31.700 0.037 0.000 0.807 284 T N -4.281 110.296 114.554 0.039 0.000 3.145 284 T HA 0.174 4.524 4.350 -0.000 0.000 0.255 284 T C 1.488 176.211 174.700 0.040 0.000 1.039 284 T CA -0.376 61.745 62.100 0.035 0.000 0.928 284 T CB -0.925 67.957 68.868 0.023 0.000 1.029 284 T HN -0.066 nan 8.240 nan 0.000 0.554 285 L N 1.342 122.590 121.223 0.042 0.000 1.976 285 L HA -0.175 4.165 4.340 -0.000 0.000 0.223 285 L C 2.858 179.764 176.870 0.060 0.000 1.081 285 L CA 2.317 57.177 54.840 0.032 0.000 0.784 285 L CB -0.841 41.223 42.059 0.009 0.000 0.896 285 L HN 0.410 nan 8.230 nan 0.000 0.438 286 A N -0.784 122.074 122.820 0.064 0.000 1.877 286 A HA -0.249 4.071 4.320 -0.000 0.000 0.216 286 A C 2.321 179.970 177.584 0.109 0.000 1.186 286 A CA 2.586 54.681 52.037 0.096 0.000 0.620 286 A CB -1.315 17.733 19.000 0.080 0.000 0.822 286 A HN 0.690 nan 8.150 nan 0.000 0.443 287 T N -2.263 112.340 114.554 0.082 0.000 2.821 287 T HA -0.139 4.210 4.350 -0.000 0.000 0.267 287 T C 1.400 176.157 174.700 0.094 0.000 1.046 287 T CA 1.450 63.597 62.100 0.078 0.000 1.139 287 T CB -0.500 68.400 68.868 0.055 0.000 0.871 287 T HN 0.338 nan 8.240 nan 0.000 0.454 288 D N 0.842 121.307 120.400 0.108 0.000 2.149 288 D HA -0.048 4.592 4.640 -0.000 0.000 0.198 288 D C 1.925 178.391 176.300 0.275 0.000 0.990 288 D CA 1.032 55.138 54.000 0.177 0.000 0.839 288 D CB -0.341 40.528 40.800 0.115 0.000 0.948 288 D HN 0.425 nan 8.370 nan 0.000 0.460 289 M N -0.055 119.677 119.600 0.220 0.000 2.236 289 M HA -0.012 4.468 4.480 -0.000 0.000 0.266 289 M C 1.986 178.258 176.300 -0.047 0.000 1.070 289 M CA 1.623 57.016 55.300 0.156 0.000 1.137 289 M CB -0.035 32.657 32.600 0.154 0.000 1.378 289 M HN -0.009 nan 8.290 nan 0.000 0.426 290 G N -0.125 108.701 108.800 0.043 0.000 2.433 290 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.216 290 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.216 290 G C 1.393 176.278 174.900 -0.024 0.000 1.186 290 G CA 1.538 46.659 45.100 0.035 0.000 0.779 290 G HN 0.585 nan 8.290 nan 0.000 0.543 291 T N -1.633 112.925 114.554 0.008 0.000 3.025 291 T HA 0.007 4.357 4.350 -0.000 0.000 0.270 291 T C 2.119 176.782 174.700 -0.063 0.000 1.126 291 T CA 1.504 63.601 62.100 -0.005 0.000 1.105 291 T CB -0.048 68.838 68.868 0.029 0.000 0.884 291 T HN 0.295 nan 8.240 nan 0.000 0.522 292 M N -0.142 119.377 119.600 -0.135 0.000 2.369 292 M HA 0.067 4.547 4.480 -0.000 0.000 0.254 292 M C 2.378 178.513 176.300 -0.275 0.000 1.136 292 M CA 0.729 55.875 55.300 -0.257 0.000 1.190 292 M CB -0.008 32.290 32.600 -0.503 0.000 1.289 292 M HN -0.006 nan 8.290 nan 0.000 0.468 293 Q N 0.898 120.484 119.800 -0.357 0.000 2.268 293 Q HA -0.203 4.137 4.340 -0.000 0.000 0.210 293 Q C 1.591 177.460 176.000 -0.220 0.000 0.988 293 Q CA 1.417 56.985 55.803 -0.392 0.000 0.883 293 Q CB -0.483 27.740 28.738 -0.859 0.000 0.911 293 Q HN 0.589 nan 8.270 nan 0.000 0.430 294 E N 0.020 120.135 120.200 -0.142 0.000 2.418 294 E HA -0.090 4.260 4.350 -0.000 0.000 0.197 294 E C 1.725 178.295 176.600 -0.050 0.000 1.026 294 E CA 0.377 56.750 56.400 -0.044 0.000 0.862 294 E CB 0.066 29.771 29.700 0.008 0.000 0.799 294 E HN 0.349 nan 8.360 nan 0.000 0.518 295 R N 0.008 120.456 120.500 -0.086 0.000 2.156 295 R HA 0.198 4.538 4.340 -0.000 0.000 0.207 295 R C 1.111 177.358 176.300 -0.090 0.000 1.040 295 R CA 0.122 56.175 56.100 -0.079 0.000 1.013 295 R CB 0.231 30.474 30.300 -0.095 0.000 0.931 295 R HN 0.044 nan 8.270 nan 0.000 0.465 296 I N 2.187 122.686 120.570 -0.119 0.000 2.472 296 I HA -0.019 4.151 4.170 -0.000 0.000 0.305 296 I C -0.015 176.049 176.117 -0.088 0.000 1.196 296 I CA 0.564 61.791 61.300 -0.122 0.000 1.613 296 I CB -0.134 37.772 38.000 -0.158 0.000 1.501 296 I HN 0.011 nan 8.210 nan 0.000 0.754 297 T N 2.835 117.348 114.554 -0.068 0.000 2.885 297 T HA 0.255 4.605 4.350 -0.000 0.000 0.322 297 T C -0.339 174.337 174.700 -0.041 0.000 1.387 297 T CA -0.377 61.694 62.100 -0.048 0.000 1.041 297 T CB 1.658 70.510 68.868 -0.027 0.000 1.287 297 T HN 0.270 nan 8.240 nan 0.000 0.491 298 T N 3.282 117.815 114.554 -0.035 0.000 2.897 298 T HA 0.598 4.948 4.350 -0.000 0.000 0.294 298 T C 0.550 175.233 174.700 -0.028 0.000 1.004 298 T CA -0.206 61.877 62.100 -0.030 0.000 1.106 298 T CB 0.854 69.706 68.868 -0.027 0.000 0.949 298 T HN 0.872 nan 8.240 nan 0.000 0.520 299 T N -0.112 114.426 114.554 -0.027 0.000 2.676 299 T HA 0.475 4.825 4.350 -0.000 0.000 0.269 299 T C 0.926 175.607 174.700 -0.032 0.000 0.952 299 T CA -0.992 61.089 62.100 -0.032 0.000 1.040 299 T CB 1.314 70.164 68.868 -0.030 0.000 1.352 299 T HN 0.390 nan 8.240 nan 0.000 0.554 300 K N 0.065 120.444 120.400 -0.036 0.000 2.243 300 K HA 0.126 4.446 4.320 -0.000 0.000 0.201 300 K C 2.191 178.775 176.600 -0.026 0.000 1.051 300 K CA 0.477 56.744 56.287 -0.033 0.000 0.970 300 K CB 0.008 32.485 32.500 -0.039 0.000 0.755 300 K HN 0.430 nan 8.250 nan 0.000 0.465 301 K N 0.537 120.922 120.400 -0.026 0.000 2.001 301 K HA -0.033 4.287 4.320 -0.000 0.000 0.208 301 K C 1.227 177.816 176.600 -0.018 0.000 1.048 301 K CA 1.156 57.428 56.287 -0.024 0.000 0.932 301 K CB 0.078 32.560 32.500 -0.030 0.000 0.715 301 K HN 0.167 nan 8.250 nan 0.000 0.437 302 G N -0.560 108.231 108.800 -0.014 0.000 2.766 302 G HA2 0.383 4.343 3.960 -0.000 0.000 0.288 302 G HA3 0.383 4.343 3.960 -0.000 0.000 0.288 302 G C -1.602 173.298 174.900 -0.001 0.000 1.408 302 G CA -0.458 44.642 45.100 -0.000 0.000 0.852 302 G HN 0.014 nan 8.290 nan 0.000 0.487 303 S N -0.908 114.799 115.700 0.011 0.000 2.521 303 S HA 0.732 5.202 4.470 -0.000 0.000 0.295 303 S C -0.790 173.807 174.600 -0.005 0.000 1.098 303 S CA -0.686 57.514 58.200 0.001 0.000 0.999 303 S CB 0.754 63.959 63.200 0.009 0.000 1.034 303 S HN 0.442 nan 8.310 nan 0.000 0.483 304 I N 3.249 123.799 120.570 -0.033 0.000 2.474 304 I HA 0.372 4.541 4.170 -0.000 0.000 0.294 304 I C -0.451 175.603 176.117 -0.104 0.000 1.005 304 I CA -0.587 60.674 61.300 -0.065 0.000 1.113 304 I CB 2.505 40.463 38.000 -0.070 0.000 1.289 304 I HN 0.518 nan 8.210 nan 0.000 0.436 305 T N 3.501 117.956 114.554 -0.166 0.000 3.060 305 T HA 0.247 4.597 4.350 -0.000 0.000 0.367 305 T C -0.189 174.324 174.700 -0.312 0.000 1.229 305 T CA -0.652 61.327 62.100 -0.202 0.000 1.104 305 T CB 0.522 69.271 68.868 -0.197 0.000 1.083 305 T HN 0.600 nan 8.240 nan 0.000 0.524 306 S N 1.920 117.462 115.700 -0.264 0.000 2.499 306 S HA 0.593 5.063 4.470 -0.000 0.000 0.279 306 S C 0.026 174.446 174.600 -0.300 0.000 1.219 306 S CA -0.835 57.184 58.200 -0.300 0.000 1.062 306 S CB 1.273 64.343 63.200 -0.217 0.000 0.978 306 S HN 0.385 nan 8.310 nan 0.000 0.489 307 V N 3.871 123.592 119.914 -0.321 0.000 2.326 307 V HA 0.351 4.471 4.120 -0.000 0.000 0.281 307 V C -0.350 175.674 176.094 -0.116 0.000 1.015 307 V CA -0.482 61.709 62.300 -0.182 0.000 0.823 307 V CB 0.928 32.765 31.823 0.025 0.000 1.009 307 V HN 0.902 nan 8.190 nan 0.000 0.436 308 Q N 3.101 122.808 119.800 -0.154 0.000 2.322 308 Q HA 0.742 5.082 4.340 -0.000 0.000 0.265 308 Q C -0.139 175.771 176.000 -0.149 0.000 0.985 308 Q CA -0.523 55.186 55.803 -0.158 0.000 0.849 308 Q CB 2.568 31.188 28.738 -0.195 0.000 1.274 308 Q HN 0.843 nan 8.270 nan 0.000 0.449 309 A N 3.569 126.331 122.820 -0.096 0.000 2.363 309 A HA 0.576 4.896 4.320 -0.000 0.000 0.270 309 A C -0.425 177.095 177.584 -0.108 0.000 1.121 309 A CA -0.281 51.718 52.037 -0.064 0.000 0.800 309 A CB 0.213 19.224 19.000 0.019 0.000 1.052 309 A HN 0.754 nan 8.150 nan 0.000 0.493 310 I N 2.562 123.020 120.570 -0.187 0.000 2.468 310 I HA 0.172 4.342 4.170 -0.000 0.000 0.284 310 I C -0.783 175.289 176.117 -0.075 0.000 1.038 310 I CA -0.479 60.684 61.300 -0.229 0.000 1.083 310 I CB 1.306 38.845 38.000 -0.769 0.000 1.223 310 I HN 0.753 nan 8.210 nan 0.000 0.443 311 Y N 7.134 127.392 120.300 -0.069 0.000 2.397 311 Y HA 0.374 4.924 4.550 -0.000 0.000 0.335 311 Y C -0.361 175.358 175.900 -0.300 0.000 1.213 311 Y CA -0.040 57.955 58.100 -0.175 0.000 1.391 311 Y CB 0.960 39.261 38.460 -0.264 0.000 1.293 311 Y HN 0.263 nan 8.280 nan 0.000 0.557 312 V N 8.695 128.032 119.914 -0.963 0.000 2.305 312 V HA 0.278 4.398 4.120 -0.000 0.000 0.275 312 V C -2.303 173.201 176.094 -0.983 0.000 1.020 312 V CA -2.083 59.805 62.300 -0.687 0.000 0.811 312 V CB 0.919 32.593 31.823 -0.248 0.000 1.031 312 V HN 0.719 nan 8.190 nan 0.000 0.439 313 P HA 0.061 nan 4.420 nan 0.000 0.262 313 P C 0.772 177.956 177.300 -0.194 0.000 1.182 313 P CA 0.996 63.853 63.100 -0.405 0.000 0.761 313 P CB 0.633 32.312 31.700 -0.035 0.000 0.795 314 A N 3.601 126.365 122.820 -0.093 0.000 2.799 314 A HA -0.287 4.033 4.320 -0.000 0.000 0.274 314 A C 1.064 178.605 177.584 -0.072 0.000 1.393 314 A CA 1.476 53.488 52.037 -0.041 0.000 0.909 314 A CB -2.524 16.475 19.000 -0.002 0.000 1.012 314 A HN 0.590 nan 8.150 nan 0.000 0.653 315 D N -1.886 118.430 120.400 -0.140 0.000 3.046 315 D HA -0.169 4.471 4.640 -0.000 0.000 0.210 315 D C -0.182 176.077 176.300 -0.070 0.000 1.124 315 D CA 1.945 55.881 54.000 -0.106 0.000 0.986 315 D CB -1.143 39.624 40.800 -0.056 0.000 1.118 315 D HN 0.897 nan 8.370 nan 0.000 0.416 316 D N 0.415 120.778 120.400 -0.063 0.000 2.422 316 D HA 0.181 4.821 4.640 -0.000 0.000 0.227 316 D C 1.544 177.841 176.300 -0.005 0.000 1.190 316 D CA -0.298 53.687 54.000 -0.025 0.000 0.905 316 D CB 0.182 40.980 40.800 -0.002 0.000 1.034 316 D HN 0.153 nan 8.370 nan 0.000 0.507 317 L N 2.681 123.906 121.223 0.004 0.000 2.447 317 L HA -0.162 4.178 4.340 -0.000 0.000 0.225 317 L C 2.282 179.186 176.870 0.057 0.000 1.148 317 L CA 1.399 56.271 54.840 0.053 0.000 0.808 317 L CB -0.296 41.777 42.059 0.024 0.000 0.928 317 L HN 0.472 nan 8.230 nan 0.000 0.448 318 T N -5.147 109.418 114.554 0.018 0.000 3.100 318 T HA -0.051 4.299 4.350 -0.000 0.000 0.253 318 T C 0.812 175.545 174.700 0.054 0.000 1.118 318 T CA -0.429 61.679 62.100 0.014 0.000 1.058 318 T CB -0.291 68.572 68.868 -0.009 0.000 0.953 318 T HN 0.210 nan 8.240 nan 0.000 0.515 319 D N 3.169 123.614 120.400 0.074 0.000 2.583 319 D HA -0.020 4.620 4.640 -0.000 0.000 0.232 319 D C -1.306 175.036 176.300 0.070 0.000 1.128 319 D CA -1.078 52.990 54.000 0.113 0.000 0.859 319 D CB 1.288 42.163 40.800 0.126 0.000 1.169 319 D HN 0.042 nan 8.370 nan 0.000 0.481 320 P HA -0.244 nan 4.420 nan 0.000 0.219 320 P C 0.787 177.974 177.300 -0.189 0.000 1.153 320 P CA 2.031 65.065 63.100 -0.110 0.000 0.865 320 P CB 0.115 31.702 31.700 -0.187 0.000 0.788 321 A N -0.436 122.220 122.820 -0.275 0.000 1.832 321 A HA -0.045 4.275 4.320 -0.000 0.000 0.214 321 A C -0.068 177.599 177.584 0.139 0.000 1.204 321 A CA 1.826 53.823 52.037 -0.066 0.000 0.606 321 A CB -2.063 17.001 19.000 0.107 0.000 0.849 321 A HN 0.194 nan 8.150 nan 0.000 0.445 322 P HA -0.170 nan 4.420 nan 0.000 0.215 322 P C 1.704 179.292 177.300 0.480 0.000 1.157 322 P CA 2.245 65.555 63.100 0.351 0.000 0.868 322 P CB -0.282 31.627 31.700 0.348 0.000 0.788 323 A N -0.358 122.690 122.820 0.379 0.000 1.892 323 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 323 A C 2.335 180.123 177.584 0.339 0.000 1.188 323 A CA 2.846 55.097 52.037 0.357 0.000 0.631 323 A CB -2.075 17.006 19.000 0.135 0.000 0.822 323 A HN 0.220 nan 8.150 nan 0.000 0.447 324 T N -0.337 114.343 114.554 0.211 0.000 2.962 324 T HA -0.057 4.293 4.350 -0.000 0.000 0.270 324 T C 1.696 176.542 174.700 0.242 0.000 1.088 324 T CA 1.703 63.908 62.100 0.174 0.000 1.127 324 T CB -0.334 68.601 68.868 0.112 0.000 0.883 324 T HN 0.605 nan 8.240 nan 0.000 0.493 325 T N 1.210 115.940 114.554 0.293 0.000 3.043 325 T HA 0.146 4.496 4.350 -0.000 0.000 0.263 325 T C 1.438 176.301 174.700 0.272 0.000 1.094 325 T CA 0.193 62.461 62.100 0.281 0.000 1.127 325 T CB -0.338 68.597 68.868 0.111 0.000 0.905 325 T HN 0.311 nan 8.240 nan 0.000 0.490 326 F N 2.395 122.515 119.950 0.283 0.000 2.091 326 F HA -0.137 4.390 4.527 -0.000 0.000 0.299 326 F C 2.705 178.545 175.800 0.067 0.000 1.103 326 F CA 1.150 59.268 58.000 0.198 0.000 1.228 326 F CB -0.706 38.309 39.000 0.024 0.000 0.984 326 F HN 0.160 nan 8.300 nan 0.000 0.477 327 A N -1.228 121.669 122.820 0.129 0.000 2.076 327 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 327 A C 1.610 179.089 177.584 -0.174 0.000 1.160 327 A CA 1.516 53.509 52.037 -0.072 0.000 0.653 327 A CB -0.950 17.920 19.000 -0.217 0.000 0.801 327 A HN 0.489 nan 8.150 nan 0.000 0.455 328 H N -1.149 117.974 119.070 0.087 0.000 2.533 328 H HA 0.334 4.890 4.556 -0.000 0.000 0.271 328 H C -0.128 175.212 175.328 0.021 0.000 1.000 328 H CA 0.257 56.327 56.048 0.037 0.000 1.149 328 H CB -0.135 29.630 29.762 0.005 0.000 1.375 328 H HN 0.363 nan 8.280 nan 0.000 0.582 329 L N 0.002 121.296 121.223 0.118 0.000 2.319 329 L HA 0.250 4.590 4.340 -0.000 0.000 0.267 329 L C 0.837 177.747 176.870 0.068 0.000 1.011 329 L CA -0.616 54.272 54.840 0.079 0.000 0.818 329 L CB 1.931 44.047 42.059 0.095 0.000 1.316 329 L HN -0.133 nan 8.230 nan 0.000 0.432 330 D N 0.641 121.064 120.400 0.039 0.000 2.388 330 D HA 0.240 4.880 4.640 -0.000 0.000 0.208 330 D C 0.150 176.485 176.300 0.059 0.000 1.035 330 D CA 0.499 54.525 54.000 0.044 0.000 0.875 330 D CB 1.269 42.085 40.800 0.027 0.000 0.984 330 D HN 0.515 nan 8.370 nan 0.000 0.508 331 A N 0.606 123.456 122.820 0.050 0.000 2.520 331 A HA 0.589 4.909 4.320 -0.000 0.000 0.298 331 A C -0.573 177.070 177.584 0.098 0.000 1.051 331 A CA -0.560 51.531 52.037 0.090 0.000 0.690 331 A CB 1.821 20.892 19.000 0.119 0.000 1.281 331 A HN -0.028 nan 8.150 nan 0.000 0.402 332 T N -1.057 113.597 114.554 0.168 0.000 2.921 332 T HA 0.695 5.045 4.350 -0.000 0.000 0.297 332 T C -0.719 174.126 174.700 0.243 0.000 1.013 332 T CA -0.428 61.806 62.100 0.223 0.000 0.990 332 T CB 1.541 70.581 68.868 0.287 0.000 1.023 332 T HN 0.541 nan 8.240 nan 0.000 0.447 333 T N 3.296 118.012 114.554 0.270 0.000 2.821 333 T HA 0.473 4.823 4.350 -0.000 0.000 0.307 333 T C -0.132 174.721 174.700 0.254 0.000 1.034 333 T CA -0.485 61.770 62.100 0.259 0.000 0.953 333 T CB 0.693 69.744 68.868 0.305 0.000 0.968 333 T HN 0.662 nan 8.240 nan 0.000 0.462 334 V N 5.676 125.708 119.914 0.196 0.000 2.385 334 V HA 0.328 4.448 4.120 -0.000 0.000 0.269 334 V C -0.110 176.064 176.094 0.133 0.000 1.043 334 V CA -0.755 61.651 62.300 0.177 0.000 0.906 334 V CB 0.623 32.505 31.823 0.098 0.000 0.995 334 V HN 0.616 nan 8.190 nan 0.000 0.467 335 L N 4.480 125.787 121.223 0.140 0.000 2.379 335 L HA 0.644 4.984 4.340 -0.000 0.000 0.269 335 L C 0.357 177.264 176.870 0.060 0.000 1.084 335 L CA 0.572 55.471 54.840 0.098 0.000 0.802 335 L CB 1.728 43.857 42.059 0.117 0.000 1.175 335 L HN 0.724 nan 8.230 nan 0.000 0.448 336 S N 1.763 117.478 115.700 0.025 0.000 2.571 336 S HA 0.418 4.888 4.470 -0.000 0.000 0.284 336 S C 0.696 175.285 174.600 -0.018 0.000 1.128 336 S CA -0.780 57.422 58.200 0.003 0.000 0.970 336 S CB 1.203 64.398 63.200 -0.008 0.000 1.039 336 S HN 0.711 nan 8.310 nan 0.000 0.485 337 R N 3.129 123.622 120.500 -0.012 0.000 2.189 337 R HA 0.004 4.344 4.340 -0.000 0.000 0.223 337 R C 1.774 178.053 176.300 -0.035 0.000 1.092 337 R CA 1.623 57.714 56.100 -0.015 0.000 0.989 337 R CB -0.588 29.711 30.300 -0.001 0.000 0.876 337 R HN 0.745 nan 8.270 nan 0.000 0.457 338 A N 0.852 123.651 122.820 -0.035 0.000 1.968 338 A HA -0.032 4.288 4.320 -0.000 0.000 0.217 338 A C 2.011 179.561 177.584 -0.057 0.000 1.169 338 A CA 0.915 52.929 52.037 -0.040 0.000 0.638 338 A CB -0.210 18.770 19.000 -0.034 0.000 0.812 338 A HN 0.338 nan 8.150 nan 0.000 0.446 339 I N -0.544 119.984 120.570 -0.070 0.000 2.235 339 I HA -0.159 4.011 4.170 -0.000 0.000 0.241 339 I C 2.991 178.997 176.117 -0.184 0.000 1.085 339 I CA 0.841 62.083 61.300 -0.097 0.000 1.378 339 I CB -0.480 37.471 38.000 -0.082 0.000 1.076 339 I HN 0.311 nan 8.210 nan 0.000 0.415 340 A N 0.587 123.261 122.820 -0.243 0.000 1.927 340 A HA -0.334 3.986 4.320 -0.000 0.000 0.220 340 A C 2.281 179.700 177.584 -0.276 0.000 1.185 340 A CA 2.343 54.114 52.037 -0.444 0.000 0.639 340 A CB -0.895 17.977 19.000 -0.213 0.000 0.820 340 A HN 0.550 nan 8.150 nan 0.000 0.451 341 E N -0.302 119.825 120.200 -0.122 0.000 2.209 341 E HA -0.167 4.183 4.350 -0.000 0.000 0.196 341 E C 1.552 178.118 176.600 -0.057 0.000 0.993 341 E CA 1.022 57.389 56.400 -0.054 0.000 0.819 341 E CB -0.190 29.490 29.700 -0.032 0.000 0.745 341 E HN 0.690 nan 8.360 nan 0.000 0.477 342 L N -0.818 120.351 121.223 -0.090 0.000 2.554 342 L HA 0.141 4.481 4.340 -0.000 0.000 0.226 342 L C 1.430 178.256 176.870 -0.073 0.000 1.137 342 L CA 0.517 55.312 54.840 -0.074 0.000 0.863 342 L CB 0.091 42.107 42.059 -0.073 0.000 0.985 342 L HN 0.400 nan 8.230 nan 0.000 0.451 343 G N 0.687 109.434 108.800 -0.089 0.000 2.131 343 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.223 343 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.223 343 G C 0.169 175.092 174.900 0.040 0.000 0.990 343 G CA -0.518 44.603 45.100 0.036 0.000 0.671 343 G HN 0.178 nan 8.290 nan 0.000 0.521 344 I N 1.318 121.779 120.570 -0.182 0.000 2.287 344 I HA 0.405 4.575 4.170 -0.000 0.000 0.290 344 I C -0.203 175.712 176.117 -0.336 0.000 1.069 344 I CA -0.473 60.773 61.300 -0.090 0.000 1.237 344 I CB -0.048 37.919 38.000 -0.055 0.000 1.418 344 I HN 0.043 nan 8.210 nan 0.000 0.481 345 Y N 7.197 127.462 120.300 -0.060 0.000 2.429 345 Y HA 0.433 4.983 4.550 -0.000 0.000 0.342 345 Y C -2.004 173.696 175.900 -0.333 0.000 1.004 345 Y CA -2.762 55.227 58.100 -0.185 0.000 1.075 345 Y CB 1.487 39.817 38.460 -0.217 0.000 1.214 345 Y HN 0.389 nan 8.280 nan 0.000 0.455 346 P HA 0.072 nan 4.420 nan 0.000 0.271 346 P C -0.440 176.845 177.300 -0.024 0.000 1.216 346 P CA -0.121 62.924 63.100 -0.091 0.000 0.776 346 P CB 0.888 32.586 31.700 -0.004 0.000 0.881 347 A N 3.812 126.624 122.820 -0.013 0.000 2.810 347 A HA 0.179 4.499 4.320 -0.000 0.000 0.247 347 A C 0.578 178.161 177.584 -0.002 0.000 1.576 347 A CA -0.210 51.774 52.037 -0.089 0.000 1.294 347 A CB -1.223 17.686 19.000 -0.150 0.000 0.976 347 A HN 0.385 nan 8.150 nan 0.000 0.631 348 V N 0.822 120.754 119.914 0.031 0.000 2.715 348 V HA 0.042 4.162 4.120 -0.000 0.000 0.299 348 V C 0.418 176.529 176.094 0.027 0.000 1.054 348 V CA -0.290 62.044 62.300 0.057 0.000 1.077 348 V CB 1.227 33.098 31.823 0.080 0.000 0.972 348 V HN 0.592 nan 8.190 nan 0.000 0.484 349 D N 6.573 126.993 120.400 0.033 0.000 2.380 349 D HA 0.241 4.881 4.640 -0.000 0.000 0.230 349 D C -1.279 175.027 176.300 0.010 0.000 1.154 349 D CA -2.174 51.834 54.000 0.013 0.000 0.859 349 D CB 1.741 42.548 40.800 0.012 0.000 1.045 349 D HN 0.241 nan 8.370 nan 0.000 0.495 350 P HA -0.106 nan 4.420 nan 0.000 0.221 350 P C 0.994 178.278 177.300 -0.027 0.000 1.145 350 P CA 0.813 63.900 63.100 -0.022 0.000 0.795 350 P CB 0.333 32.011 31.700 -0.038 0.000 0.775 351 L N -1.382 119.828 121.223 -0.021 0.000 2.769 351 L HA 0.304 4.644 4.340 -0.000 0.000 0.240 351 L C 1.087 177.940 176.870 -0.028 0.000 1.163 351 L CA 0.290 55.113 54.840 -0.028 0.000 0.962 351 L CB -0.137 41.905 42.059 -0.029 0.000 1.258 351 L HN -0.169 nan 8.230 nan 0.000 0.513 352 D N -1.011 119.380 120.400 -0.014 0.000 2.562 352 D HA 0.112 4.752 4.640 -0.000 0.000 0.246 352 D C -0.060 176.252 176.300 0.019 0.000 1.347 352 D CA 0.194 54.184 54.000 -0.017 0.000 0.800 352 D CB 0.807 41.591 40.800 -0.026 0.000 1.111 352 D HN -0.098 nan 8.370 nan 0.000 0.508 353 S N -0.204 115.515 115.700 0.032 0.000 2.475 353 S HA 0.727 5.197 4.470 -0.000 0.000 0.298 353 S C -0.141 174.497 174.600 0.064 0.000 1.119 353 S CA -0.521 57.723 58.200 0.073 0.000 1.085 353 S CB 1.741 64.990 63.200 0.082 0.000 1.028 353 S HN 0.312 nan 8.310 nan 0.000 0.489 354 T N -0.828 113.783 114.554 0.095 0.000 2.864 354 T HA 0.796 5.146 4.350 -0.000 0.000 0.299 354 T C -0.824 173.937 174.700 0.102 0.000 1.166 354 T CA -0.820 61.324 62.100 0.074 0.000 1.007 354 T CB 1.805 70.708 68.868 0.058 0.000 1.219 354 T HN 0.437 nan 8.240 nan 0.000 0.506 355 S N -0.720 115.028 115.700 0.080 0.000 2.540 355 S HA 0.440 4.910 4.470 -0.000 0.000 0.275 355 S C 0.606 175.246 174.600 0.067 0.000 1.123 355 S CA -0.830 57.425 58.200 0.091 0.000 0.907 355 S CB 1.954 65.210 63.200 0.094 0.000 1.081 355 S HN 0.937 nan 8.310 nan 0.000 0.476 356 R N 3.008 123.548 120.500 0.066 0.000 2.280 356 R HA 0.107 4.447 4.340 -0.000 0.000 0.207 356 R C 1.410 177.739 176.300 0.048 0.000 1.043 356 R CA 1.494 57.626 56.100 0.053 0.000 1.006 356 R CB -0.416 29.912 30.300 0.048 0.000 0.885 356 R HN 0.830 nan 8.270 nan 0.000 0.467 357 I N -2.429 118.169 120.570 0.047 0.000 3.875 357 I HA 0.189 4.359 4.170 -0.000 0.000 0.329 357 I C 0.239 176.370 176.117 0.024 0.000 1.295 357 I CA -0.242 61.078 61.300 0.034 0.000 1.129 357 I CB 0.277 38.296 38.000 0.032 0.000 1.008 357 I HN -0.057 nan 8.210 nan 0.000 0.413 358 M N 3.259 122.881 119.600 0.037 0.000 3.442 358 M HA 0.226 4.706 4.480 -0.000 0.000 0.232 358 M C -0.739 175.696 176.300 0.226 0.000 1.508 358 M CA 0.674 56.006 55.300 0.053 0.000 1.647 358 M CB -1.325 31.274 32.600 -0.003 0.000 1.126 358 M HN 0.248 nan 8.290 nan 0.000 0.557 359 D N 2.444 122.938 120.400 0.158 0.000 2.787 359 D HA 0.391 5.030 4.640 -0.000 0.000 0.246 359 D C -2.045 174.239 176.300 -0.026 0.000 1.150 359 D CA -1.715 52.323 54.000 0.063 0.000 0.864 359 D CB 2.638 43.448 40.800 0.016 0.000 1.481 359 D HN 0.048 nan 8.370 nan 0.000 0.509 360 P HA -0.123 nan 4.420 nan 0.000 0.216 360 P C 0.908 178.151 177.300 -0.094 0.000 1.150 360 P CA 1.004 63.960 63.100 -0.240 0.000 0.843 360 P CB 0.315 31.755 31.700 -0.434 0.000 0.787 361 N N -0.837 117.808 118.700 -0.093 0.000 2.520 361 N HA -0.016 4.724 4.740 -0.000 0.000 0.185 361 N C 1.496 176.998 175.510 -0.013 0.000 1.068 361 N CA 0.617 53.641 53.050 -0.044 0.000 0.911 361 N CB 0.004 38.466 38.487 -0.042 0.000 0.961 361 N HN 0.243 nan 8.380 nan 0.000 0.446 362 I N -0.678 119.890 120.570 -0.003 0.000 3.812 362 I HA -0.060 4.110 4.170 -0.000 0.000 0.292 362 I C 1.826 177.963 176.117 0.034 0.000 1.206 362 I CA 0.388 61.698 61.300 0.016 0.000 1.370 362 I CB 0.321 38.330 38.000 0.015 0.000 1.328 362 I HN -0.087 nan 8.210 nan 0.000 0.453 363 V N -1.282 118.652 119.914 0.034 0.000 3.644 363 V HA 0.600 4.720 4.120 -0.000 0.000 0.267 363 V C 0.844 177.026 176.094 0.147 0.000 1.277 363 V CA 0.300 62.642 62.300 0.071 0.000 1.096 363 V CB -0.479 31.264 31.823 -0.132 0.000 0.828 363 V HN 0.456 nan 8.190 nan 0.000 0.446 364 G N 0.902 109.764 108.800 0.104 0.000 2.663 364 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.686 364 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.686 364 G C 0.288 175.278 174.900 0.150 0.000 1.246 364 G CA 0.053 45.219 45.100 0.109 0.000 0.795 364 G HN 1.058 nan 8.290 nan 0.000 0.627 365 S N -0.471 115.293 115.700 0.106 0.000 2.428 365 S HA -0.032 4.438 4.470 -0.000 0.000 0.230 365 S C 1.698 176.407 174.600 0.180 0.000 1.014 365 S CA 1.638 59.916 58.200 0.129 0.000 0.957 365 S CB 0.063 63.301 63.200 0.063 0.000 0.784 365 S HN 0.842 nan 8.310 nan 0.000 0.499 366 E N 1.082 121.376 120.200 0.156 0.000 2.072 366 E HA -0.209 4.141 4.350 -0.000 0.000 0.190 366 E C 1.988 178.706 176.600 0.197 0.000 0.982 366 E CA 0.866 57.353 56.400 0.145 0.000 0.803 366 E CB -0.235 29.527 29.700 0.103 0.000 0.755 366 E HN 0.816 nan 8.360 nan 0.000 0.453 367 H N -1.407 117.730 119.070 0.112 0.000 2.293 367 H HA -0.206 4.350 4.556 -0.000 0.000 0.300 367 H C 2.044 177.436 175.328 0.106 0.000 1.082 367 H CA 1.768 57.878 56.048 0.104 0.000 1.308 367 H CB -0.063 29.761 29.762 0.103 0.000 1.375 367 H HN 0.232 nan 8.280 nan 0.000 0.495 368 Y N 1.394 121.805 120.300 0.184 0.000 2.181 368 Y HA -0.202 4.348 4.550 -0.000 0.000 0.288 368 Y C 1.720 177.661 175.900 0.068 0.000 1.146 368 Y CA 1.897 60.037 58.100 0.068 0.000 1.164 368 Y CB -0.106 38.367 38.460 0.022 0.000 0.982 368 Y HN 0.350 nan 8.280 nan 0.000 0.515 369 D N -1.008 119.552 120.400 0.266 0.000 2.224 369 D HA -0.131 4.509 4.640 -0.000 0.000 0.205 369 D C 2.324 178.668 176.300 0.073 0.000 0.965 369 D CA 1.125 55.227 54.000 0.169 0.000 0.852 369 D CB -0.309 40.589 40.800 0.163 0.000 0.947 369 D HN 0.276 nan 8.370 nan 0.000 0.494 370 V N 1.182 121.148 119.914 0.087 0.000 2.283 370 V HA -0.183 3.937 4.120 -0.000 0.000 0.243 370 V C 2.466 178.559 176.094 -0.002 0.000 1.039 370 V CA 1.685 64.027 62.300 0.070 0.000 1.016 370 V CB -0.819 31.073 31.823 0.114 0.000 0.650 370 V HN 0.189 nan 8.190 nan 0.000 0.449 371 A N 0.523 123.331 122.820 -0.020 0.000 1.849 371 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 371 A C 2.291 179.775 177.584 -0.166 0.000 1.202 371 A CA 1.961 53.933 52.037 -0.109 0.000 0.629 371 A CB -0.597 18.328 19.000 -0.125 0.000 0.834 371 A HN 0.421 nan 8.150 nan 0.000 0.447 372 R N -0.469 119.886 120.500 -0.242 0.000 2.159 372 R HA -0.115 4.225 4.340 -0.000 0.000 0.237 372 R C 2.247 178.493 176.300 -0.090 0.000 1.131 372 R CA 1.239 57.220 56.100 -0.198 0.000 0.982 372 R CB -1.529 28.625 30.300 -0.245 0.000 0.868 372 R HN 0.579 nan 8.270 nan 0.000 0.453 373 G N 0.280 109.048 108.800 -0.053 0.000 2.408 373 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.217 373 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.217 373 G C 1.551 176.436 174.900 -0.025 0.000 1.150 373 G CA 0.475 45.566 45.100 -0.014 0.000 0.776 373 G HN 0.174 nan 8.290 nan 0.000 0.542 374 V N 0.369 120.247 119.914 -0.060 0.000 2.427 374 V HA -0.181 3.939 4.120 -0.000 0.000 0.248 374 V C 2.870 178.916 176.094 -0.080 0.000 1.051 374 V CA 1.968 64.214 62.300 -0.090 0.000 1.048 374 V CB -0.346 31.340 31.823 -0.229 0.000 0.666 374 V HN 0.416 nan 8.190 nan 0.000 0.456 375 Q N -0.269 119.479 119.800 -0.087 0.000 2.083 375 Q HA -0.221 4.119 4.340 -0.000 0.000 0.198 375 Q C 2.323 178.302 176.000 -0.035 0.000 0.969 375 Q CA 1.565 57.328 55.803 -0.066 0.000 0.838 375 Q CB -0.175 28.512 28.738 -0.084 0.000 0.900 375 Q HN 0.574 nan 8.270 nan 0.000 0.436 376 K N 1.172 121.554 120.400 -0.030 0.000 2.009 376 K HA -0.184 4.136 4.320 -0.000 0.000 0.210 376 K C 1.991 178.595 176.600 0.007 0.000 1.049 376 K CA 1.264 57.545 56.287 -0.010 0.000 0.929 376 K CB -0.221 32.277 32.500 -0.004 0.000 0.714 376 K HN 0.158 nan 8.250 nan 0.000 0.440 377 I N 0.968 121.543 120.570 0.009 0.000 2.264 377 I HA -0.278 3.892 4.170 -0.000 0.000 0.248 377 I C 1.821 177.974 176.117 0.059 0.000 1.111 377 I CA 1.131 62.446 61.300 0.025 0.000 1.382 377 I CB 0.094 38.099 38.000 0.008 0.000 1.060 377 I HN 0.251 nan 8.210 nan 0.000 0.418 378 L N -0.205 121.047 121.223 0.049 0.000 2.109 378 L HA -0.194 4.146 4.340 -0.000 0.000 0.207 378 L C 2.532 179.458 176.870 0.094 0.000 1.086 378 L CA 0.849 55.747 54.840 0.097 0.000 0.760 378 L CB -0.627 41.460 42.059 0.047 0.000 0.910 378 L HN 0.289 nan 8.230 nan 0.000 0.437 379 Q N 0.543 120.366 119.800 0.038 0.000 2.016 379 Q HA -0.203 4.137 4.340 -0.000 0.000 0.200 379 Q C 1.769 177.782 176.000 0.022 0.000 0.978 379 Q CA 1.814 57.625 55.803 0.013 0.000 0.833 379 Q CB -0.199 28.537 28.738 -0.004 0.000 0.895 379 Q HN 0.338 nan 8.270 nan 0.000 0.427 380 D N -0.833 119.592 120.400 0.041 0.000 2.133 380 D HA -0.203 4.437 4.640 -0.000 0.000 0.195 380 D C 1.653 178.005 176.300 0.087 0.000 0.997 380 D CA 1.432 55.462 54.000 0.050 0.000 0.840 380 D CB -0.413 40.417 40.800 0.051 0.000 0.947 380 D HN 0.381 nan 8.370 nan 0.000 0.452 381 Y N 1.409 121.697 120.300 -0.020 0.000 2.263 381 Y HA -0.060 4.490 4.550 -0.000 0.000 0.292 381 Y C 2.186 178.074 175.900 -0.021 0.000 1.130 381 Y CA 1.211 59.300 58.100 -0.020 0.000 1.179 381 Y CB -0.134 38.314 38.460 -0.021 0.000 0.998 381 Y HN -0.194 nan 8.280 nan 0.000 0.532 382 K N -0.258 120.041 120.400 -0.169 0.000 2.009 382 K HA -0.173 4.147 4.320 -0.000 0.000 0.210 382 K C 2.297 178.772 176.600 -0.210 0.000 1.049 382 K CA 1.891 58.023 56.287 -0.259 0.000 0.929 382 K CB -0.273 32.155 32.500 -0.120 0.000 0.714 382 K HN 0.279 nan 8.250 nan 0.000 0.440 383 S N 1.102 116.734 115.700 -0.114 0.000 2.365 383 S HA -0.161 4.308 4.470 -0.000 0.000 0.225 383 S C 1.848 176.394 174.600 -0.091 0.000 1.039 383 S CA 1.385 59.536 58.200 -0.082 0.000 1.033 383 S CB -0.269 62.906 63.200 -0.043 0.000 0.887 383 S HN 0.243 nan 8.310 nan 0.000 0.447 384 L N 1.206 122.377 121.223 -0.086 0.000 2.156 384 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 384 L C 2.638 179.438 176.870 -0.115 0.000 1.095 384 L CA 0.853 55.656 54.840 -0.062 0.000 0.770 384 L CB -0.569 41.497 42.059 0.012 0.000 0.914 384 L HN 0.343 nan 8.230 nan 0.000 0.439 385 Q N 0.146 119.791 119.800 -0.258 0.000 2.065 385 Q HA -0.300 4.040 4.340 -0.000 0.000 0.213 385 Q C 1.741 177.658 176.000 -0.138 0.000 1.012 385 Q CA 2.225 57.861 55.803 -0.278 0.000 0.876 385 Q CB -0.277 28.221 28.738 -0.401 0.000 0.954 385 Q HN 0.485 nan 8.270 nan 0.000 0.413 386 D N -0.204 120.124 120.400 -0.119 0.000 2.219 386 D HA -0.088 4.552 4.640 -0.000 0.000 0.205 386 D C 1.757 178.026 176.300 -0.052 0.000 0.970 386 D CA 0.948 54.903 54.000 -0.076 0.000 0.851 386 D CB -0.015 40.744 40.800 -0.069 0.000 0.943 386 D HN 0.322 nan 8.370 nan 0.000 0.488 387 I N 0.946 121.487 120.570 -0.049 0.000 2.429 387 I HA -0.075 4.095 4.170 -0.000 0.000 0.247 387 I C 2.445 178.550 176.117 -0.019 0.000 1.099 387 I CA 0.355 61.637 61.300 -0.030 0.000 1.422 387 I CB -0.152 37.833 38.000 -0.026 0.000 1.112 387 I HN -0.063 nan 8.210 nan 0.000 0.430 388 I N 0.233 120.794 120.570 -0.015 0.000 2.916 388 I HA -0.098 4.072 4.170 -0.000 0.000 0.267 388 I C 2.433 178.549 176.117 -0.002 0.000 1.263 388 I CA 1.070 62.371 61.300 0.002 0.000 1.471 388 I CB -0.281 37.732 38.000 0.022 0.000 1.089 388 I HN 0.093 nan 8.210 nan 0.000 0.468 389 A N 2.142 124.953 122.820 -0.014 0.000 1.865 389 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 389 A C 2.118 179.696 177.584 -0.010 0.000 1.191 389 A CA 2.298 54.326 52.037 -0.015 0.000 0.623 389 A CB -0.685 18.299 19.000 -0.026 0.000 0.826 389 A HN 0.551 nan 8.150 nan 0.000 0.444 390 I N -1.024 119.539 120.570 -0.012 0.000 2.522 390 I HA -0.008 4.162 4.170 -0.000 0.000 0.240 390 I C 1.863 177.977 176.117 -0.005 0.000 1.078 390 I CA 0.570 61.865 61.300 -0.009 0.000 1.422 390 I CB -0.250 37.743 38.000 -0.011 0.000 1.188 390 I HN 0.151 nan 8.210 nan 0.000 0.442 391 L N 0.944 122.163 121.223 -0.005 0.000 2.622 391 L HA 0.152 4.492 4.340 -0.000 0.000 0.233 391 L C 1.134 178.005 176.870 0.001 0.000 1.156 391 L CA 0.213 55.052 54.840 -0.002 0.000 0.866 391 L CB -1.618 40.440 42.059 -0.003 0.000 0.980 391 L HN 0.516 nan 8.230 nan 0.000 0.448 392 G N 0.112 108.914 108.800 0.003 0.000 2.804 392 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.230 392 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.230 392 G C 0.128 175.034 174.900 0.011 0.000 1.386 392 G CA 0.249 45.353 45.100 0.007 0.000 0.875 392 G HN 0.146 nan 8.290 nan 0.000 0.557 393 M N -0.426 119.182 119.600 0.014 0.000 2.414 393 M HA 0.160 4.640 4.480 -0.000 0.000 0.251 393 M C 1.814 178.123 176.300 0.014 0.000 1.116 393 M CA 0.918 56.229 55.300 0.017 0.000 1.056 393 M CB 0.055 32.668 32.600 0.022 0.000 1.388 393 M HN 0.579 nan 8.290 nan 0.000 0.487 394 D N 0.959 121.365 120.400 0.011 0.000 2.106 394 D HA -0.206 4.434 4.640 -0.000 0.000 0.191 394 D C 1.645 177.950 176.300 0.008 0.000 0.997 394 D CA 1.299 55.304 54.000 0.009 0.000 0.834 394 D CB -0.293 40.512 40.800 0.007 0.000 0.956 394 D HN 0.255 nan 8.370 nan 0.000 0.448 395 E N 0.172 120.376 120.200 0.007 0.000 2.396 395 E HA -0.038 4.312 4.350 -0.000 0.000 0.200 395 E C 0.799 177.404 176.600 0.008 0.000 1.023 395 E CA -0.030 56.374 56.400 0.006 0.000 0.857 395 E CB -0.215 29.488 29.700 0.005 0.000 0.775 395 E HN 0.378 nan 8.360 nan 0.000 0.525 396 L N 1.917 123.146 121.223 0.010 0.000 2.456 396 L HA -0.005 4.335 4.340 -0.000 0.000 0.272 396 L C 0.382 177.259 176.870 0.011 0.000 1.189 396 L CA -0.179 54.668 54.840 0.013 0.000 0.846 396 L CB 0.548 42.618 42.059 0.018 0.000 1.111 396 L HN -0.007 nan 8.230 nan 0.000 0.475 397 S N 2.178 117.884 115.700 0.011 0.000 2.533 397 S HA 0.048 4.518 4.470 -0.000 0.000 0.282 397 S C 0.889 175.495 174.600 0.009 0.000 1.304 397 S CA -0.906 57.299 58.200 0.009 0.000 1.063 397 S CB 1.101 64.307 63.200 0.009 0.000 0.881 397 S HN 0.537 nan 8.310 nan 0.000 0.493 398 E N 2.190 122.395 120.200 0.008 0.000 2.233 398 E HA -0.219 4.131 4.350 -0.000 0.000 0.199 398 E C 1.546 178.150 176.600 0.007 0.000 1.004 398 E CA 1.187 57.592 56.400 0.007 0.000 0.819 398 E CB -0.235 29.469 29.700 0.006 0.000 0.738 398 E HN 0.756 nan 8.360 nan 0.000 0.478 399 E N 0.527 120.731 120.200 0.007 0.000 2.110 399 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 399 E C 1.279 177.884 176.600 0.009 0.000 0.988 399 E CA 1.162 57.566 56.400 0.007 0.000 0.804 399 E CB -0.106 29.598 29.700 0.008 0.000 0.745 399 E HN 0.333 nan 8.360 nan 0.000 0.458 400 D N -0.191 120.216 120.400 0.013 0.000 2.333 400 D HA -0.048 4.592 4.640 -0.000 0.000 0.208 400 D C 1.340 177.653 176.300 0.021 0.000 0.984 400 D CA 0.557 54.569 54.000 0.019 0.000 0.873 400 D CB 0.245 41.058 40.800 0.022 0.000 0.935 400 D HN 0.130 nan 8.370 nan 0.000 0.521 401 K N -0.070 120.338 120.400 0.013 0.000 2.404 401 K HA 0.115 4.435 4.320 -0.000 0.000 0.194 401 K C 1.211 177.807 176.600 -0.006 0.000 1.023 401 K CA 0.076 56.369 56.287 0.010 0.000 1.094 401 K CB 0.566 33.073 32.500 0.011 0.000 0.841 401 K HN 0.107 nan 8.250 nan 0.000 0.523 402 L N 2.056 123.274 121.223 -0.008 0.000 2.298 402 L HA -0.009 4.331 4.340 -0.000 0.000 0.209 402 L C 2.363 179.211 176.870 -0.036 0.000 1.084 402 L CA 1.418 56.246 54.840 -0.020 0.000 0.816 402 L CB -0.034 42.019 42.059 -0.009 0.000 0.967 402 L HN 0.307 nan 8.230 nan 0.000 0.460 403 T N -4.021 110.521 114.554 -0.021 0.000 2.985 403 T HA -0.061 4.289 4.350 -0.000 0.000 0.266 403 T C 1.749 176.407 174.700 -0.070 0.000 1.076 403 T CA 1.240 63.323 62.100 -0.027 0.000 1.135 403 T CB -0.574 68.299 68.868 0.008 0.000 0.890 403 T HN 0.070 nan 8.240 nan 0.000 0.480 404 V N 1.467 121.349 119.914 -0.053 0.000 2.358 404 V HA -0.121 3.999 4.120 -0.000 0.000 0.246 404 V C 3.054 178.995 176.094 -0.255 0.000 1.047 404 V CA 1.816 64.037 62.300 -0.132 0.000 1.035 404 V CB -1.083 30.739 31.823 -0.001 0.000 0.658 404 V HN 0.493 nan 8.190 nan 0.000 0.452 405 S N -0.163 115.449 115.700 -0.147 0.000 2.380 405 S HA -0.227 4.243 4.470 -0.000 0.000 0.217 405 S C 2.119 176.598 174.600 -0.201 0.000 1.036 405 S CA 1.830 59.942 58.200 -0.146 0.000 1.050 405 S CB -0.351 62.797 63.200 -0.087 0.000 1.016 405 S HN 0.502 nan 8.310 nan 0.000 0.419 406 R N 1.016 121.418 120.500 -0.164 0.000 2.119 406 R HA -0.162 4.178 4.340 -0.000 0.000 0.246 406 R C 2.483 178.667 176.300 -0.193 0.000 1.146 406 R CA 1.383 57.381 56.100 -0.170 0.000 0.962 406 R CB -0.666 29.576 30.300 -0.096 0.000 0.863 406 R HN 0.442 nan 8.270 nan 0.000 0.442 407 A N 1.634 124.317 122.820 -0.227 0.000 1.858 407 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 407 A C 2.147 179.535 177.584 -0.326 0.000 1.190 407 A CA 1.370 53.246 52.037 -0.269 0.000 0.617 407 A CB -0.445 18.312 19.000 -0.404 0.000 0.827 407 A HN 0.271 nan 8.150 nan 0.000 0.443 408 R N -0.065 120.164 120.500 -0.452 0.000 2.127 408 R HA -0.138 4.202 4.340 -0.000 0.000 0.238 408 R C 2.075 178.255 176.300 -0.199 0.000 1.134 408 R CA 1.620 57.527 56.100 -0.321 0.000 0.975 408 R CB -0.314 29.815 30.300 -0.286 0.000 0.865 408 R HN 0.555 nan 8.270 nan 0.000 0.447 409 K N 0.487 120.722 120.400 -0.275 0.000 2.076 409 K HA 0.021 4.341 4.320 -0.000 0.000 0.204 409 K C 2.135 178.586 176.600 -0.248 0.000 1.051 409 K CA 0.899 56.924 56.287 -0.438 0.000 0.949 409 K CB -0.018 31.924 32.500 -0.929 0.000 0.726 409 K HN 0.117 nan 8.250 nan 0.000 0.443 410 I N 1.541 122.051 120.570 -0.100 0.000 2.226 410 I HA -0.305 3.865 4.170 -0.000 0.000 0.245 410 I C 2.630 178.893 176.117 0.243 0.000 1.100 410 I CA 1.374 62.802 61.300 0.215 0.000 1.374 410 I CB -0.347 37.761 38.000 0.180 0.000 1.057 410 I HN 0.306 nan 8.210 nan 0.000 0.413 411 Q N 0.602 120.454 119.800 0.086 0.000 2.152 411 Q HA -0.232 4.108 4.340 -0.000 0.000 0.206 411 Q C 2.341 178.419 176.000 0.129 0.000 0.985 411 Q CA 1.731 57.583 55.803 0.081 0.000 0.863 411 Q CB 0.097 28.852 28.738 0.027 0.000 0.904 411 Q HN 0.451 nan 8.270 nan 0.000 0.422 412 R N -1.212 119.382 120.500 0.157 0.000 2.075 412 R HA -0.035 4.305 4.340 -0.000 0.000 0.220 412 R C 1.982 178.459 176.300 0.297 0.000 1.118 412 R CA 0.782 57.032 56.100 0.249 0.000 0.986 412 R CB -0.322 30.137 30.300 0.265 0.000 0.884 412 R HN 0.193 nan 8.270 nan 0.000 0.439 413 F N 1.717 121.767 119.950 0.166 0.000 2.373 413 F HA -0.100 4.427 4.527 -0.000 0.000 0.300 413 F C 1.576 177.518 175.800 0.237 0.000 1.080 413 F CA 1.092 59.166 58.000 0.124 0.000 1.417 413 F CB -0.016 38.928 39.000 -0.093 0.000 1.070 413 F HN -0.045 nan 8.300 nan 0.000 0.546 414 L N -0.734 120.656 121.223 0.279 0.000 2.418 414 L HA 0.007 4.347 4.340 -0.000 0.000 0.218 414 L C 1.366 178.252 176.870 0.026 0.000 1.125 414 L CA 0.167 55.119 54.840 0.187 0.000 0.835 414 L CB -0.568 41.585 42.059 0.156 0.000 0.953 414 L HN 0.032 nan 8.230 nan 0.000 0.454 415 S N -0.453 115.257 115.700 0.015 0.000 2.624 415 S HA 0.373 4.843 4.470 -0.000 0.000 0.263 415 S C -0.310 174.203 174.600 -0.144 0.000 1.287 415 S CA -0.555 57.611 58.200 -0.057 0.000 0.990 415 S CB 1.789 64.975 63.200 -0.022 0.000 0.950 415 S HN 0.243 nan 8.310 nan 0.000 0.561 416 Q N 0.091 119.777 119.800 -0.190 0.000 2.403 416 Q HA 0.334 4.674 4.340 -0.000 0.000 0.267 416 Q C -3.205 172.681 176.000 -0.190 0.000 0.991 416 Q CA -1.862 53.844 55.803 -0.161 0.000 0.906 416 Q CB 2.228 30.940 28.738 -0.043 0.000 1.422 416 Q HN 0.463 nan 8.270 nan 0.000 0.400 417 P HA 0.189 nan 4.420 nan 0.000 0.280 417 P C -0.902 176.492 177.300 0.156 0.000 1.300 417 P CA -0.043 63.023 63.100 -0.057 0.000 0.785 417 P CB 0.034 31.708 31.700 -0.043 0.000 0.874 418 F N 1.921 121.876 119.950 0.010 0.000 2.382 418 F HA 0.194 4.721 4.527 -0.000 0.000 0.331 418 F C 2.060 177.870 175.800 0.016 0.000 1.121 418 F CA -0.748 57.265 58.000 0.021 0.000 1.183 418 F CB 0.591 39.620 39.000 0.047 0.000 1.207 418 F HN 0.378 nan 8.300 nan 0.000 0.555 419 Q N 0.715 120.614 119.800 0.165 0.000 2.472 419 Q HA 0.045 4.385 4.340 -0.000 0.000 0.208 419 Q C 0.526 176.554 176.000 0.047 0.000 0.958 419 Q CA 0.644 56.487 55.803 0.068 0.000 0.932 419 Q CB 0.212 28.958 28.738 0.012 0.000 1.007 419 Q HN 0.506 nan 8.270 nan 0.000 0.508 420 V N -0.175 119.793 119.914 0.089 0.000 3.578 420 V HA 0.316 4.436 4.120 -0.000 0.000 0.290 420 V C 0.532 176.684 176.094 0.097 0.000 1.376 420 V CA 0.745 63.085 62.300 0.066 0.000 1.083 420 V CB 0.995 32.858 31.823 0.066 0.000 0.911 420 V HN 0.327 nan 8.190 nan 0.000 0.433 421 A N -0.789 122.112 122.820 0.135 0.000 2.594 421 A HA 0.368 4.688 4.320 -0.000 0.000 0.292 421 A C 1.222 178.797 177.584 -0.015 0.000 1.026 421 A CA -0.189 51.938 52.037 0.151 0.000 0.983 421 A CB 0.073 19.335 19.000 0.436 0.000 1.233 421 A HN 0.400 nan 8.150 nan 0.000 0.519 422 E N -0.128 120.026 120.200 -0.076 0.000 2.150 422 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 422 E C 1.717 178.225 176.600 -0.153 0.000 0.985 422 E CA 1.481 57.848 56.400 -0.056 0.000 0.814 422 E CB -0.146 29.528 29.700 -0.044 0.000 0.752 422 E HN 0.552 nan 8.360 nan 0.000 0.466 423 V N -0.276 119.422 119.914 -0.359 0.000 2.867 423 V HA -0.202 3.918 4.120 -0.000 0.000 0.260 423 V C 1.491 177.348 176.094 -0.394 0.000 1.099 423 V CA 1.366 63.406 62.300 -0.434 0.000 1.122 423 V CB -0.716 30.714 31.823 -0.655 0.000 0.708 423 V HN 0.114 nan 8.190 nan 0.000 0.490 424 F N 1.515 121.456 119.950 -0.015 0.000 2.419 424 F HA 0.102 4.629 4.527 -0.000 0.000 0.283 424 F C 2.679 178.472 175.800 -0.012 0.000 1.044 424 F CA 1.123 59.098 58.000 -0.041 0.000 1.376 424 F CB -1.336 37.592 39.000 -0.120 0.000 1.131 424 F HN 0.212 nan 8.300 nan 0.000 0.585 425 T N -2.999 111.663 114.554 0.180 0.000 3.067 425 T HA 0.316 4.666 4.350 -0.000 0.000 0.257 425 T C 1.762 176.627 174.700 0.275 0.000 1.105 425 T CA 0.629 62.852 62.100 0.204 0.000 1.104 425 T CB -0.366 68.590 68.868 0.147 0.000 0.925 425 T HN 0.494 nan 8.240 nan 0.000 0.498 426 G N 1.246 110.118 108.800 0.120 0.000 2.198 426 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.260 426 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.260 426 G C -0.277 174.547 174.900 -0.127 0.000 1.025 426 G CA 0.315 45.412 45.100 -0.004 0.000 0.769 426 G HN 0.828 nan 8.290 nan 0.000 0.507 427 H N -1.971 117.089 119.070 -0.016 0.000 2.806 427 H HA 0.606 5.162 4.556 -0.000 0.000 0.367 427 H C -0.054 175.264 175.328 -0.016 0.000 1.136 427 H CA -0.931 55.104 56.048 -0.021 0.000 1.178 427 H CB 1.501 31.240 29.762 -0.038 0.000 1.718 427 H HN 0.205 nan 8.280 nan 0.000 0.540 428 L N 1.821 123.104 121.223 0.100 0.000 2.453 428 L HA 0.311 4.651 4.340 -0.000 0.000 0.272 428 L C 0.909 177.822 176.870 0.071 0.000 1.182 428 L CA 0.378 55.252 54.840 0.056 0.000 0.858 428 L CB 0.425 42.501 42.059 0.028 0.000 1.120 428 L HN 0.880 nan 8.230 nan 0.000 0.474 429 G N 4.174 113.011 108.800 0.062 0.000 2.398 429 G HA2 0.234 4.194 3.960 -0.000 0.000 0.246 429 G HA3 0.234 4.194 3.960 -0.000 0.000 0.246 429 G C -0.485 174.450 174.900 0.059 0.000 1.289 429 G CA -0.504 44.645 45.100 0.081 0.000 0.869 429 G HN 0.441 nan 8.290 nan 0.000 0.543 430 K N 1.079 121.519 120.400 0.067 0.000 2.270 430 K HA 0.412 4.732 4.320 -0.000 0.000 0.255 430 K C -0.967 175.659 176.600 0.043 0.000 0.936 430 K CA -0.996 55.315 56.287 0.040 0.000 0.809 430 K CB 2.389 34.901 32.500 0.021 0.000 1.131 430 K HN 0.370 nan 8.250 nan 0.000 0.427 431 L N 2.453 123.689 121.223 0.021 0.000 2.319 431 L HA 0.463 4.803 4.340 -0.000 0.000 0.281 431 L C -1.157 175.718 176.870 0.008 0.000 1.005 431 L CA -0.700 54.146 54.840 0.010 0.000 0.828 431 L CB 1.513 43.569 42.059 -0.005 0.000 1.227 431 L HN 0.245 nan 8.230 nan 0.000 0.415 432 V N 6.770 126.688 119.914 0.007 0.000 2.483 432 V HA 0.603 4.723 4.120 -0.000 0.000 0.295 432 V C -1.984 174.116 176.094 0.010 0.000 1.035 432 V CA -1.333 60.971 62.300 0.007 0.000 0.896 432 V CB 1.525 33.344 31.823 -0.006 0.000 0.986 432 V HN 0.777 nan 8.190 nan 0.000 0.447 433 P HA 0.131 nan 4.420 nan 0.000 0.275 433 P C 0.714 178.024 177.300 0.015 0.000 1.228 433 P CA -0.399 62.710 63.100 0.015 0.000 0.786 433 P CB 1.172 32.882 31.700 0.017 0.000 0.927 434 L N 3.540 124.768 121.223 0.008 0.000 2.089 434 L HA -0.220 4.120 4.340 -0.000 0.000 0.213 434 L C 2.002 178.858 176.870 -0.022 0.000 1.079 434 L CA 2.094 56.927 54.840 -0.012 0.000 0.758 434 L CB -1.055 40.998 42.059 -0.010 0.000 0.891 434 L HN 0.351 nan 8.230 nan 0.000 0.433 435 K N -1.146 119.253 120.400 -0.001 0.000 2.228 435 K HA -0.070 4.250 4.320 -0.000 0.000 0.202 435 K C 1.850 178.470 176.600 0.033 0.000 1.051 435 K CA 0.780 57.072 56.287 0.008 0.000 0.960 435 K CB -0.013 32.496 32.500 0.016 0.000 0.743 435 K HN 0.272 nan 8.250 nan 0.000 0.458 436 E N 0.394 120.619 120.200 0.041 0.000 2.150 436 E HA -0.089 4.261 4.350 -0.000 0.000 0.193 436 E C 1.877 178.539 176.600 0.104 0.000 0.985 436 E CA 1.080 57.518 56.400 0.063 0.000 0.814 436 E CB -0.216 29.517 29.700 0.054 0.000 0.752 436 E HN 0.204 nan 8.360 nan 0.000 0.466 437 T N 1.625 116.239 114.554 0.099 0.000 2.639 437 T HA -0.043 4.307 4.350 -0.000 0.000 0.261 437 T C 2.138 176.985 174.700 0.244 0.000 1.053 437 T CA 1.008 63.215 62.100 0.178 0.000 1.158 437 T CB -0.314 68.637 68.868 0.137 0.000 0.863 437 T HN 0.088 nan 8.240 nan 0.000 0.413 438 I N 1.440 122.078 120.570 0.114 0.000 2.145 438 I HA -0.296 3.874 4.170 -0.000 0.000 0.244 438 I C 2.635 178.842 176.117 0.149 0.000 1.075 438 I CA 1.647 63.004 61.300 0.096 0.000 1.332 438 I CB -0.483 37.491 38.000 -0.045 0.000 1.033 438 I HN 0.257 nan 8.210 nan 0.000 0.410 439 K N 1.437 121.903 120.400 0.111 0.000 2.001 439 K HA -0.150 4.170 4.320 -0.000 0.000 0.208 439 K C 2.212 178.871 176.600 0.099 0.000 1.048 439 K CA 1.749 58.094 56.287 0.096 0.000 0.932 439 K CB -0.554 31.988 32.500 0.071 0.000 0.715 439 K HN 0.347 nan 8.250 nan 0.000 0.437 440 G N 0.699 109.552 108.800 0.088 0.000 2.476 440 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.218 440 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.218 440 G C 1.287 176.091 174.900 -0.161 0.000 1.164 440 G CA 0.950 46.002 45.100 -0.080 0.000 0.768 440 G HN 0.291 nan 8.290 nan 0.000 0.560 441 F N 0.505 120.562 119.950 0.177 0.000 2.146 441 F HA 0.015 4.542 4.527 -0.000 0.000 0.298 441 F C 2.915 178.760 175.800 0.075 0.000 1.096 441 F CA 1.460 59.541 58.000 0.136 0.000 1.275 441 F CB -0.700 38.398 39.000 0.163 0.000 1.008 441 F HN 0.171 nan 8.300 nan 0.000 0.480 442 Q N 0.197 120.139 119.800 0.237 0.000 2.096 442 Q HA -0.300 4.040 4.340 -0.000 0.000 0.208 442 Q C 2.120 178.184 176.000 0.105 0.000 0.993 442 Q CA 2.319 58.209 55.803 0.145 0.000 0.862 442 Q CB -0.142 28.665 28.738 0.114 0.000 0.915 442 Q HN 0.507 nan 8.270 nan 0.000 0.416 443 Q N -0.332 119.529 119.800 0.102 0.000 2.083 443 Q HA -0.105 4.234 4.340 -0.000 0.000 0.198 443 Q C 2.151 178.213 176.000 0.105 0.000 0.969 443 Q CA 1.426 57.282 55.803 0.088 0.000 0.838 443 Q CB -0.047 28.803 28.738 0.185 0.000 0.900 443 Q HN 0.487 nan 8.270 nan 0.000 0.436 444 I N 0.644 121.290 120.570 0.127 0.000 2.179 444 I HA -0.286 3.884 4.170 -0.000 0.000 0.242 444 I C 2.226 178.373 176.117 0.049 0.000 1.088 444 I CA 1.123 62.474 61.300 0.084 0.000 1.357 444 I CB -0.371 37.599 38.000 -0.050 0.000 1.051 444 I HN 0.218 nan 8.210 nan 0.000 0.409 445 L N 0.772 122.043 121.223 0.080 0.000 2.131 445 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 445 L C 2.617 179.506 176.870 0.033 0.000 1.092 445 L CA 1.153 56.029 54.840 0.060 0.000 0.759 445 L CB -0.447 41.663 42.059 0.084 0.000 0.903 445 L HN 0.270 nan 8.230 nan 0.000 0.435 446 A N -0.915 121.923 122.820 0.029 0.000 2.206 446 A HA 0.198 4.518 4.320 -0.000 0.000 0.211 446 A C 1.761 179.336 177.584 -0.015 0.000 1.158 446 A CA 0.854 52.894 52.037 0.006 0.000 0.761 446 A CB -0.372 18.627 19.000 -0.002 0.000 0.801 446 A HN 0.543 nan 8.150 nan 0.000 0.473 447 G N -0.619 108.171 108.800 -0.016 0.000 2.176 447 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.253 447 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.253 447 G C 0.407 175.271 174.900 -0.059 0.000 0.979 447 G CA 0.480 45.566 45.100 -0.023 0.000 0.641 447 G HN 0.606 nan 8.290 nan 0.000 0.530 448 E N -0.834 119.279 120.200 -0.145 0.000 2.533 448 E HA 0.111 4.461 4.350 -0.000 0.000 0.201 448 E C 0.431 176.632 176.600 -0.666 0.000 1.097 448 E CA 0.602 56.781 56.400 -0.368 0.000 0.887 448 E CB -0.088 29.312 29.700 -0.500 0.000 0.855 448 E HN 0.756 nan 8.360 nan 0.000 0.540 449 Y N -1.578 118.705 120.300 -0.027 0.000 2.954 449 Y HA 0.093 4.643 4.550 -0.000 0.000 0.267 449 Y C 0.677 176.460 175.900 -0.195 0.000 1.093 449 Y CA -0.748 57.235 58.100 -0.195 0.000 1.257 449 Y CB 0.501 38.972 38.460 0.018 0.000 1.317 449 Y HN -0.069 nan 8.280 nan 0.000 0.587 450 D N 0.472 120.885 120.400 0.021 0.000 2.389 450 D HA -0.155 4.485 4.640 -0.000 0.000 0.221 450 D C 1.854 178.195 176.300 0.069 0.000 0.974 450 D CA 1.396 55.417 54.000 0.035 0.000 0.923 450 D CB 0.079 40.904 40.800 0.041 0.000 0.892 450 D HN 0.659 nan 8.370 nan 0.000 0.518 451 H N -0.592 118.544 119.070 0.110 0.000 2.451 451 H HA 0.085 4.641 4.556 -0.000 0.000 0.294 451 H C 1.187 176.588 175.328 0.122 0.000 1.028 451 H CA -0.108 55.994 56.048 0.089 0.000 1.349 451 H CB -0.422 29.375 29.762 0.059 0.000 1.444 451 H HN 0.019 nan 8.280 nan 0.000 0.538 452 L N 2.702 123.796 121.223 -0.215 0.000 2.482 452 L HA 0.236 4.576 4.340 -0.000 0.000 0.273 452 L C -2.187 174.770 176.870 0.144 0.000 1.228 452 L CA -1.999 52.831 54.840 -0.016 0.000 0.827 452 L CB -0.300 41.671 42.059 -0.147 0.000 1.099 452 L HN 0.073 nan 8.230 nan 0.000 0.494 453 P HA 0.171 nan 4.420 nan 0.000 0.278 453 P C -0.170 177.289 177.300 0.265 0.000 1.238 453 P CA -0.511 62.673 63.100 0.140 0.000 0.794 453 P CB 0.948 32.695 31.700 0.079 0.000 0.955 454 E N 0.726 121.050 120.200 0.207 0.000 2.033 454 E HA -0.267 4.083 4.350 -0.000 0.000 0.199 454 E C 1.818 178.602 176.600 0.307 0.000 1.011 454 E CA 1.224 57.767 56.400 0.238 0.000 0.815 454 E CB -0.397 29.343 29.700 0.067 0.000 0.755 454 E HN 0.433 nan 8.360 nan 0.000 0.451 455 Q N 0.039 119.937 119.800 0.163 0.000 2.290 455 Q HA -0.206 4.134 4.340 -0.000 0.000 0.211 455 Q C 2.092 178.191 176.000 0.164 0.000 0.991 455 Q CA 1.575 57.469 55.803 0.151 0.000 0.893 455 Q CB -0.480 28.313 28.738 0.092 0.000 0.913 455 Q HN 0.368 nan 8.270 nan 0.000 0.428 456 A N -0.877 121.994 122.820 0.084 0.000 2.015 456 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 456 A C 1.549 179.024 177.584 -0.181 0.000 1.163 456 A CA 0.920 52.890 52.037 -0.112 0.000 0.646 456 A CB -0.566 18.251 19.000 -0.305 0.000 0.806 456 A HN 0.322 nan 8.150 nan 0.000 0.448 457 F N -2.521 117.455 119.950 0.043 0.000 2.743 457 F HA 0.180 4.707 4.527 -0.000 0.000 0.297 457 F C 0.786 176.696 175.800 0.183 0.000 1.131 457 F CA -0.274 57.783 58.000 0.094 0.000 1.426 457 F CB -0.290 38.746 39.000 0.060 0.000 1.116 457 F HN 0.274 nan 8.300 nan 0.000 0.583 458 Y N 1.686 122.087 120.300 0.168 0.000 2.377 458 Y HA 0.292 4.842 4.550 -0.000 0.000 0.330 458 Y C 0.606 176.506 175.900 0.001 0.000 1.108 458 Y CA -1.689 56.459 58.100 0.080 0.000 1.308 458 Y CB 0.255 38.749 38.460 0.058 0.000 1.216 458 Y HN 0.014 nan 8.280 nan 0.000 0.518 459 M N 6.173 125.398 119.600 -0.624 0.000 2.852 459 M HA -0.156 4.324 4.480 -0.000 0.000 0.176 459 M C -1.147 174.960 176.300 -0.321 0.000 1.160 459 M CA 1.022 55.925 55.300 -0.662 0.000 0.702 459 M CB -2.518 29.413 32.600 -1.116 0.000 1.193 459 M HN 0.514 nan 8.290 nan 0.000 0.775 460 V N -1.899 117.912 119.914 -0.171 0.000 3.159 460 V HA 1.065 5.185 4.120 -0.000 0.000 0.308 460 V C 0.486 176.532 176.094 -0.080 0.000 1.190 460 V CA -0.068 62.189 62.300 -0.072 0.000 1.037 460 V CB 1.835 33.656 31.823 -0.004 0.000 1.060 460 V HN 0.527 nan 8.190 nan 0.000 0.437 461 G N 0.676 109.454 108.800 -0.036 0.000 2.964 461 G HA2 0.492 4.452 3.960 -0.000 0.000 0.191 461 G HA3 0.492 4.452 3.960 -0.000 0.000 0.191 461 G C -2.411 172.478 174.900 -0.018 0.000 1.978 461 G CA -0.341 44.732 45.100 -0.046 0.000 0.861 461 G HN 0.714 nan 8.290 nan 0.000 0.584 462 P HA 0.204 nan 4.420 nan 0.000 0.274 462 P C 0.785 178.193 177.300 0.181 0.000 1.231 462 P CA -0.584 62.591 63.100 0.124 0.000 0.790 462 P CB 1.175 32.911 31.700 0.060 0.000 0.951 463 I N 1.382 122.054 120.570 0.170 0.000 2.399 463 I HA -0.301 3.869 4.170 -0.000 0.000 0.254 463 I C 1.625 177.602 176.117 -0.233 0.000 1.146 463 I CA 1.926 63.108 61.300 -0.197 0.000 1.412 463 I CB -0.299 37.455 38.000 -0.411 0.000 1.076 463 I HN 0.331 nan 8.210 nan 0.000 0.432 464 E N 0.536 120.677 120.200 -0.099 0.000 2.153 464 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 464 E C 2.013 178.552 176.600 -0.103 0.000 0.988 464 E CA 1.389 57.735 56.400 -0.089 0.000 0.811 464 E CB -0.188 29.493 29.700 -0.031 0.000 0.746 464 E HN 0.615 nan 8.360 nan 0.000 0.466 465 E N 0.224 120.380 120.200 -0.074 0.000 2.204 465 E HA -0.113 4.237 4.350 -0.000 0.000 0.194 465 E C 1.973 178.492 176.600 -0.134 0.000 0.989 465 E CA 0.809 57.168 56.400 -0.068 0.000 0.824 465 E CB -0.084 29.602 29.700 -0.024 0.000 0.756 465 E HN 0.267 nan 8.360 nan 0.000 0.477 466 A N 1.238 123.916 122.820 -0.236 0.000 1.929 466 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 466 A C 2.496 179.786 177.584 -0.489 0.000 1.176 466 A CA 0.761 52.523 52.037 -0.457 0.000 0.628 466 A CB -0.405 18.110 19.000 -0.808 0.000 0.816 466 A HN 0.097 nan 8.150 nan 0.000 0.444 467 V N -0.179 119.500 119.914 -0.392 0.000 2.323 467 V HA -0.190 3.930 4.120 -0.000 0.000 0.244 467 V C 3.061 179.074 176.094 -0.135 0.000 1.041 467 V CA 1.810 63.964 62.300 -0.243 0.000 1.025 467 V CB -1.162 30.580 31.823 -0.135 0.000 0.656 467 V HN 0.592 nan 8.190 nan 0.000 0.451 468 A N 0.027 122.782 122.820 -0.108 0.000 1.865 468 A HA -0.298 4.022 4.320 -0.000 0.000 0.217 468 A C 2.319 179.865 177.584 -0.064 0.000 1.191 468 A CA 2.342 54.341 52.037 -0.063 0.000 0.623 468 A CB -0.591 18.381 19.000 -0.046 0.000 0.826 468 A HN 0.516 nan 8.150 nan 0.000 0.444 469 K N -0.289 120.060 120.400 -0.085 0.000 2.160 469 K HA -0.136 4.184 4.320 -0.000 0.000 0.206 469 K C 2.041 178.600 176.600 -0.068 0.000 1.047 469 K CA 1.250 57.498 56.287 -0.065 0.000 0.930 469 K CB -0.328 32.131 32.500 -0.069 0.000 0.720 469 K HN 0.402 nan 8.250 nan 0.000 0.450 470 A N 1.735 124.490 122.820 -0.109 0.000 1.858 470 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 470 A C 1.620 179.190 177.584 -0.024 0.000 1.190 470 A CA 1.999 53.991 52.037 -0.075 0.000 0.617 470 A CB -0.616 18.326 19.000 -0.096 0.000 0.827 470 A HN 0.426 nan 8.150 nan 0.000 0.443 471 D N -0.277 120.112 120.400 -0.019 0.000 2.087 471 D HA -0.183 4.457 4.640 -0.000 0.000 0.192 471 D C 1.826 178.125 176.300 -0.002 0.000 0.993 471 D CA 1.668 55.666 54.000 -0.003 0.000 0.828 471 D CB -0.519 40.279 40.800 -0.003 0.000 0.968 471 D HN 0.509 nan 8.370 nan 0.000 0.448 472 K N 0.265 120.660 120.400 -0.007 0.000 2.127 472 K HA -0.133 4.187 4.320 -0.000 0.000 0.208 472 K C 2.171 178.774 176.600 0.006 0.000 1.047 472 K CA 0.895 57.182 56.287 -0.001 0.000 0.927 472 K CB -0.128 32.371 32.500 -0.002 0.000 0.716 472 K HN 0.129 nan 8.250 nan 0.000 0.450 473 L N -0.439 120.788 121.223 0.006 0.000 2.341 473 L HA 0.006 4.346 4.340 -0.000 0.000 0.214 473 L C 2.258 179.137 176.870 0.016 0.000 1.115 473 L CA 0.500 55.349 54.840 0.015 0.000 0.820 473 L CB -0.396 41.674 42.059 0.018 0.000 0.944 473 L HN 0.192 nan 8.230 nan 0.000 0.452 474 A N -0.459 122.369 122.820 0.013 0.000 2.204 474 A HA -0.138 4.182 4.320 -0.000 0.000 0.220 474 A C 0.504 178.098 177.584 0.016 0.000 1.165 474 A CA 1.521 53.569 52.037 0.017 0.000 0.671 474 A CB -0.217 18.794 19.000 0.017 0.000 0.792 474 A HN 0.504 nan 8.150 nan 0.000 0.473 475 E N 0.000 120.208 120.200 0.014 0.000 2.725 475 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 475 E CA 0.000 56.408 56.400 0.013 0.000 0.976 475 E CB 0.000 29.707 29.700 0.011 0.000 0.812 475 E HN 0.000 nan 8.360 nan 0.000 0.440