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 2w6g_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 1.293 116.030 114.554 0.305 0.000 2.840 10 T HA 0.770 5.120 4.350 0.000 0.000 0.287 10 T C 0.417 175.085 174.700 -0.053 0.000 0.991 10 T CA -0.432 61.768 62.100 0.166 0.000 0.964 10 T CB 1.419 70.317 68.868 0.050 0.000 0.954 10 T HN 1.138 nan 8.240 nan 0.000 0.438 11 G N 1.986 110.429 108.800 -0.595 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 -0.916 173.647 174.900 -0.563 0.000 1.259 11 G CA -1.022 43.339 45.100 -1.232 0.000 1.019 11 G HN 0.613 nan 8.290 nan 0.000 0.496 12 R N -1.031 119.206 120.500 -0.439 0.000 2.803 12 R HA 0.463 4.803 4.340 0.000 0.000 0.276 12 R C -0.624 175.556 176.300 -0.200 0.000 0.978 12 R CA -0.858 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 2.387 122.880 120.570 -0.129 0.000 2.441 13 I HA -0.005 4.165 4.170 0.000 0.000 0.287 13 I C 1.416 177.490 176.117 -0.071 0.000 1.049 13 I CA -0.036 61.210 61.300 -0.090 0.000 1.381 13 I CB 1.386 39.349 38.000 -0.061 0.000 1.409 13 I HN 0.562 nan 8.210 nan 0.000 0.523 14 V N 2.971 122.850 119.914 -0.058 0.000 3.570 14 V HA 0.571 4.691 4.120 0.000 0.000 0.257 14 V C 0.554 176.630 176.094 -0.029 0.000 1.272 14 V CA 0.331 62.604 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 -0.049 122.757 122.820 -0.024 0.000 2.517 15 A HA 0.804 5.124 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 -0.374 51.654 52.037 -0.016 0.000 0.694 15 A CB 2.176 21.169 19.000 -0.011 0.000 1.277 15 A HN 0.561 nan 8.150 nan 0.000 0.400 16 V N 2.575 122.482 119.914 -0.011 0.000 2.483 16 V HA 0.580 4.700 4.120 0.000 0.000 0.297 16 V C -0.657 175.434 176.094 -0.006 0.000 1.027 16 V CA -0.127 62.168 62.300 -0.008 0.000 0.855 16 V CB 1.348 33.165 31.823 -0.009 0.000 0.995 16 V HN 0.726 nan 8.190 nan 0.000 0.424 17 I N 4.416 124.984 120.570 -0.004 0.000 2.595 17 I HA 0.584 4.754 4.170 0.000 0.000 0.276 17 I C 0.806 176.921 176.117 -0.004 0.000 1.109 17 I CA 0.028 61.326 61.300 -0.004 0.000 1.084 17 I CB 1.329 39.327 38.000 -0.004 0.000 1.206 17 I HN 0.905 nan 8.210 nan 0.000 0.486 18 G N 4.138 112.935 108.800 -0.004 0.000 2.528 18 G HA2 -0.298 3.662 3.960 0.000 0.000 0.262 18 G HA3 -0.298 3.662 3.960 0.000 0.000 0.262 18 G C 0.798 175.697 174.900 -0.002 0.000 1.200 18 G CA 0.314 45.412 45.100 -0.004 0.000 0.951 18 G HN 0.805 nan 8.290 nan 0.000 0.566 19 A N -0.757 122.062 122.820 -0.003 0.000 2.239 19 A HA 0.513 4.833 4.320 0.000 0.000 0.209 19 A C 1.089 178.675 177.584 0.003 0.000 1.171 19 A CA 1.829 53.866 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 0.813 120.728 119.914 0.002 0.000 2.394 20 V HA 0.419 4.539 4.120 0.000 0.000 0.282 20 V C -0.500 175.597 176.094 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 0.004 0.000 0.982 20 V HN 0.068 nan 8.190 nan 0.000 0.451 21 V N 3.791 123.712 119.914 0.011 0.000 2.588 21 V HA 0.478 4.598 4.120 0.000 0.000 0.304 21 V C -0.767 175.335 176.094 0.013 0.000 1.042 21 V CA -0.777 61.527 62.300 0.007 0.000 0.877 21 V CB 2.127 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 2.887 123.289 120.400 0.004 0.000 2.177 22 D HA 0.604 5.244 4.640 0.000 0.000 0.247 22 D C -0.589 175.704 176.300 -0.012 0.000 1.063 22 D CA -0.021 53.984 54.000 0.008 0.000 0.867 22 D CB 2.378 43.181 40.800 0.004 0.000 1.168 22 D HN 0.262 nan 8.370 nan 0.000 0.445 23 V N 2.153 122.066 119.914 -0.002 0.000 2.735 23 V HA 0.302 4.422 4.120 0.000 0.000 0.310 23 V C -0.163 175.883 176.094 -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 -1.759 174.099 176.000 -0.237 0.000 0.980 24 Q CA -0.411 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 1.935 121.859 119.950 -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 1.347 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 1.247 121.724 120.400 0.127 0.000 2.149 26 D HA -0.037 4.603 4.640 0.000 0.000 0.206 26 D C 0.012 176.354 176.300 0.070 0.000 0.967 26 D CA 1.123 55.162 54.000 0.065 0.000 0.848 26 D CB 0.237 41.058 40.800 0.034 0.000 0.998 26 D HN 0.661 nan 8.370 nan 0.000 0.474 27 E N -0.723 119.534 120.200 0.095 0.000 2.293 27 E HA 0.535 4.885 4.350 0.000 0.000 0.270 27 E C -0.164 176.465 176.600 0.047 0.000 0.879 27 E CA -1.240 55.193 56.400 0.054 0.000 0.756 27 E CB 2.074 31.797 29.700 0.039 0.000 1.208 27 E HN 0.001 nan 8.360 nan 0.000 0.428 28 G N 1.882 110.676 108.800 -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 -0.860 173.911 174.900 -0.216 0.000 0.829 28 G CA -0.433 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 5.871 126.962 121.223 -0.221 0.000 2.278 29 L HA 0.488 4.828 4.340 0.000 0.000 0.287 29 L C -1.204 175.468 176.870 -0.330 0.000 1.072 29 L CA -1.904 52.728 54.840 -0.346 0.000 0.819 29 L CB 0.767 42.661 42.059 -0.274 0.000 1.176 29 L HN 0.399 nan 8.230 nan 0.000 0.435 30 P HA 0.155 nan 4.420 nan 0.000 0.267 30 P C -2.629 174.668 177.300 -0.005 0.000 1.205 30 P CA -1.069 61.863 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 0.126 nan 4.420 nan 0.000 0.271 31 P C 0.480 177.771 177.300 -0.015 0.000 1.233 31 P CA -0.060 63.054 63.100 0.024 0.000 0.789 31 P CB 0.587 32.266 31.700 -0.035 0.000 0.951 32 I N 1.819 122.303 120.570 -0.143 0.000 2.692 32 I HA -0.077 4.093 4.170 0.000 0.000 0.284 32 I C 1.550 177.592 176.117 -0.124 0.000 1.159 32 I CA 0.540 61.754 61.300 -0.144 0.000 1.423 32 I CB -0.220 37.645 38.000 -0.224 0.000 1.380 32 I HN 0.425 nan 8.210 nan 0.000 0.580 33 L N 1.957 123.109 121.223 -0.119 0.000 3.271 33 L HA -0.239 4.102 4.340 0.000 0.000 0.429 33 L C 0.309 177.146 176.870 -0.056 0.000 0.724 33 L CA 0.142 54.880 54.840 -0.171 0.000 2.742 33 L CB -1.448 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 1.176 119.859 118.700 -0.030 0.000 2.441 34 N HA 0.430 5.170 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 1.060 54.109 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 2.381 125.224 122.820 0.038 0.000 2.305 35 A HA 0.650 4.970 4.320 0.000 0.000 0.322 35 A C -0.571 177.046 177.584 0.053 0.000 1.187 35 A CA -0.617 51.451 52.037 0.052 0.000 0.825 35 A CB 0.316 19.347 19.000 0.052 0.000 1.164 35 A HN 0.600 nan 8.150 nan 0.000 0.498 36 L N 1.739 123.005 121.223 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 -0.771 54.126 54.840 0.095 0.000 0.818 36 L CB 1.819 43.970 42.059 0.154 0.000 1.296 36 L HN 0.654 nan 8.230 nan 0.000 0.427 37 E N 2.011 122.246 120.200 0.059 0.000 2.171 37 E HA 0.359 4.709 4.350 0.000 0.000 0.271 37 E C -0.959 175.659 176.600 0.029 0.000 0.916 37 E CA -0.775 55.647 56.400 0.036 0.000 0.774 37 E CB 3.003 32.718 29.700 0.024 0.000 1.128 37 E HN 0.199 nan 8.360 nan 0.000 0.403 38 V N 3.969 123.894 119.914 0.018 0.000 2.508 38 V HA -0.021 4.099 4.120 0.000 0.000 0.281 38 V C 0.593 176.688 176.094 0.001 0.000 1.041 38 V CA -0.256 62.047 62.300 0.005 0.000 1.016 38 V CB 0.782 32.605 31.823 0.001 0.000 0.984 38 V HN 0.513 nan 8.190 nan 0.000 0.478 39 Q N 2.742 122.539 119.800 -0.006 0.000 2.306 39 Q HA 0.423 4.763 4.340 0.000 0.000 0.241 39 Q C 1.101 177.096 176.000 -0.009 0.000 0.948 39 Q CA 0.440 56.240 55.803 -0.006 0.000 0.886 39 Q CB 1.186 29.918 28.738 -0.009 0.000 1.227 39 Q HN 1.140 nan 8.270 nan 0.000 0.457 40 G N 1.649 110.445 108.800 -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 -0.150 174.747 174.900 -0.005 0.000 1.039 40 G CA -0.058 45.037 45.100 -0.007 0.000 0.759 40 G HN 0.423 nan 8.290 nan 0.000 0.501 41 R N -0.664 119.834 120.500 -0.003 0.000 2.621 41 R HA 0.387 4.727 4.340 0.000 0.000 0.292 41 R C 0.749 177.048 176.300 -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 31.463 30.300 -0.001 0.000 1.180 41 R HN 0.029 nan 8.270 nan 0.000 0.450 42 E N 0.714 120.913 120.200 -0.000 0.000 2.130 42 E HA -0.117 4.233 4.350 0.000 0.000 0.196 42 E C 0.670 177.271 176.600 0.001 0.000 0.998 42 E CA 1.572 57.972 56.400 0.000 0.000 0.806 42 E CB 0.083 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 -2.179 112.376 114.554 0.002 0.000 2.932 43 T HA 0.475 4.825 4.350 0.000 0.000 0.289 43 T C 0.063 174.766 174.700 0.005 0.000 1.039 43 T CA -0.985 61.118 62.100 0.004 0.000 1.024 43 T CB 2.349 71.220 68.868 0.004 0.000 1.090 43 T HN -0.099 nan 8.240 nan 0.000 0.496 44 R N 1.228 121.732 120.500 0.007 0.000 2.399 44 R HA 0.309 4.649 4.340 0.000 0.000 0.324 44 R C -0.994 175.313 176.300 0.011 0.000 1.030 44 R CA -0.553 55.552 56.100 0.008 0.000 0.984 44 R CB -0.256 30.049 30.300 0.009 0.000 0.961 44 R HN 0.535 nan 8.270 nan 0.000 0.433 45 L N 6.352 127.582 121.223 0.011 0.000 2.280 45 L HA 0.351 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 54.357 54.840 0.014 0.000 0.819 45 L CB 1.776 43.841 42.059 0.011 0.000 1.212 45 L HN 0.334 nan 8.230 nan 0.000 0.420 46 V N 6.343 126.271 119.914 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 0.576 nan 8.190 nan 0.000 0.454 47 L N 3.940 125.191 121.223 0.047 0.000 2.305 47 L HA 0.575 4.915 4.340 0.000 0.000 0.284 47 L C 0.030 176.937 176.870 0.062 0.000 1.013 47 L CA -0.308 54.563 54.840 0.051 0.000 0.819 47 L CB 1.734 43.826 42.059 0.056 0.000 1.227 47 L HN 0.651 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 -0.768 55.670 56.400 0.064 0.000 0.819 48 E CB 1.751 31.501 29.700 0.083 0.000 1.081 48 E HN 0.326 nan 8.360 nan 0.000 0.397 49 V N 4.291 124.235 119.914 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 0.916 63.251 62.300 0.058 0.000 1.074 49 V CB 0.792 32.656 31.823 0.070 0.000 0.958 49 V HN 0.887 nan 8.190 nan 0.000 0.481 50 A N 4.284 127.126 122.820 0.037 0.000 2.013 50 A HA 0.335 4.655 4.320 0.000 0.000 0.204 50 A C 0.727 178.315 177.584 0.006 0.000 1.262 50 A CA 0.299 52.342 52.037 0.010 0.000 0.800 50 A CB 0.351 19.361 19.000 0.017 0.000 0.909 50 A HN 0.772 nan 8.150 nan 0.000 0.472 51 Q N -1.485 118.347 119.800 0.053 0.000 2.534 51 Q HA 0.361 4.701 4.340 0.000 0.000 0.290 51 Q C -1.658 174.462 176.000 0.201 0.000 0.991 51 Q CA -0.588 55.254 55.803 0.065 0.000 0.783 51 Q CB 1.774 30.542 28.738 0.050 0.000 1.470 51 Q HN 0.595 nan 8.270 nan 0.000 0.406 52 H N 1.810 120.882 119.070 0.003 0.000 2.661 52 H HA 0.241 4.797 4.556 -0.000 0.000 0.290 52 H C 0.535 175.869 175.328 0.011 0.000 1.082 52 H CA -0.235 55.818 56.048 0.009 0.000 1.234 52 H CB 0.772 30.534 29.762 -0.001 0.000 1.387 52 H HN 0.432 nan 8.280 nan 0.000 0.476 53 L N 2.713 123.998 121.223 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 0.655 55.530 54.840 0.058 0.000 0.799 53 L CB -0.094 41.988 42.059 0.039 0.000 0.925 53 L HN 0.805 nan 8.230 nan 0.000 0.446 54 G N 0.018 108.835 108.800 0.028 0.000 2.629 54 G HA2 -0.122 3.838 3.960 0.000 0.000 0.686 54 G HA3 -0.122 3.838 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 0.281 nan 8.290 nan 0.000 0.638 55 E N -0.913 119.282 120.200 -0.008 0.000 2.759 55 E HA -0.212 4.138 4.350 0.000 0.000 0.280 55 E C 0.907 177.501 176.600 -0.010 0.000 1.009 55 E CA 0.977 57.373 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 -1.529 114.155 115.700 -0.028 0.000 3.631 56 S HA -0.216 4.254 4.470 0.000 0.000 0.366 56 S C -0.059 174.548 174.600 0.010 0.000 0.993 56 S CA 1.424 59.609 58.200 -0.025 0.000 1.167 56 S CB -1.120 62.086 63.200 0.010 0.000 0.909 56 S HN 0.397 nan 8.310 nan 0.000 0.478 57 T N 1.313 115.860 114.554 -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 1.845 70.718 68.868 0.009 0.000 0.997 57 T HN 0.659 nan 8.240 nan 0.000 0.443 58 V N 1.634 121.593 119.914 0.076 0.000 2.581 58 V HA 0.770 4.890 4.120 0.000 0.000 0.303 58 V C -0.215 175.936 176.094 0.096 0.000 1.041 58 V CA -1.330 61.034 62.300 0.108 0.000 0.907 58 V CB 1.646 33.569 31.823 0.165 0.000 0.994 58 V HN 0.850 nan 8.190 nan 0.000 0.442 59 R N 2.591 123.145 120.500 0.091 0.000 2.312 59 R HA 0.743 5.083 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 1.468 31.795 30.300 0.045 0.000 1.073 59 R HN 1.174 nan 8.270 nan 0.000 0.457 60 T N 2.091 116.677 114.554 0.052 0.000 2.901 60 T HA 0.509 4.859 4.350 0.000 0.000 0.293 60 T C 0.046 174.766 174.700 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 69.977 68.868 0.065 0.000 1.170 60 T HN 0.581 nan 8.240 nan 0.000 0.509 61 I N 0.393 120.983 120.570 0.033 0.000 2.339 61 I HA 0.771 4.941 4.170 0.000 0.000 0.290 61 I C 0.362 176.496 176.117 0.028 0.000 0.994 61 I CA -1.377 59.937 61.300 0.025 0.000 1.191 61 I CB 1.072 39.084 38.000 0.020 0.000 1.343 61 I HN 0.881 nan 8.210 nan 0.000 0.458 62 A N 7.040 129.873 122.820 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 -0.305 51.744 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 1.181 120.796 119.600 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 -1.314 31.304 32.600 0.030 0.000 1.597 63 M HN 0.832 nan 8.290 nan 0.000 0.495 64 D N -1.434 118.976 120.400 0.015 0.000 2.865 64 D HA 0.387 5.027 4.640 0.000 0.000 0.343 64 D C -0.529 175.777 176.300 0.009 0.000 1.372 64 D CA -0.211 53.797 54.000 0.012 0.000 0.862 64 D CB 0.601 41.408 40.800 0.012 0.000 1.425 64 D HN 0.103 nan 8.370 nan 0.000 0.501 65 G N -0.687 108.118 108.800 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 0.833 175.735 174.900 0.003 0.000 1.284 65 G CA 0.755 45.858 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 0.344 175.043 174.700 -0.002 0.000 1.047 66 T CA -0.287 61.813 62.100 0.000 0.000 0.944 66 T CB 0.097 68.965 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 0.501 56.900 56.400 -0.002 0.000 0.921 67 E CB -0.365 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 1.335 110.133 108.800 -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 0.104 175.000 174.900 -0.007 0.000 0.975 68 G CA 0.234 45.331 45.100 -0.005 0.000 0.642 68 G HN 0.373 nan 8.290 nan 0.000 0.536 69 L N 0.112 121.331 121.223 -0.008 0.000 2.452 69 L HA 0.554 4.894 4.340 0.000 0.000 0.267 69 L C 0.676 177.537 176.870 -0.014 0.000 1.188 69 L CA -0.530 54.303 54.840 -0.011 0.000 0.821 69 L CB 1.206 43.259 42.059 -0.011 0.000 1.102 69 L HN -0.003 nan 8.230 nan 0.000 0.470 70 V N 1.700 121.603 119.914 -0.018 0.000 2.823 70 V HA 0.392 4.512 4.120 0.000 0.000 0.312 70 V C -0.038 176.041 176.094 -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 0.632 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 0.421 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 57.382 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 1.647 110.419 108.800 -0.047 0.000 2.234 72 G HA2 -0.319 3.641 3.960 0.000 0.000 0.235 72 G HA3 -0.319 3.641 3.960 0.000 0.000 0.235 72 G C 0.224 175.090 174.900 -0.057 0.000 0.997 72 G CA -0.020 45.050 45.100 -0.052 0.000 0.623 72 G HN 0.595 nan 8.290 nan 0.000 0.514 73 Q N 1.051 120.821 119.800 -0.051 0.000 2.369 73 Q HA 0.359 4.699 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 0.516 56.290 55.803 -0.049 0.000 0.941 73 Q CB 0.286 29.001 28.738 -0.037 0.000 1.260 73 Q HN 0.459 nan 8.270 nan 0.000 0.417 74 K N 1.224 121.588 120.400 -0.059 0.000 2.185 74 K HA 0.426 4.746 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 -0.439 55.805 56.287 -0.072 0.000 0.943 74 K CB 1.272 33.744 32.500 -0.048 0.000 0.998 74 K HN 0.316 nan 8.250 nan 0.000 0.468 75 V N 4.221 124.080 119.914 -0.090 0.000 2.655 75 V HA 0.256 4.376 4.120 0.000 0.000 0.301 75 V C -0.937 175.172 176.094 0.026 0.000 1.082 75 V CA -0.809 61.464 62.300 -0.046 0.000 0.899 75 V CB 1.626 33.396 31.823 -0.089 0.000 1.014 75 V HN 0.601 nan 8.190 nan 0.000 0.429 76 L N 3.541 124.815 121.223 0.086 0.000 2.275 76 L HA 0.485 4.825 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 54.399 54.840 0.141 0.000 0.805 76 L CB 1.493 43.595 42.059 0.072 0.000 1.193 76 L HN 0.657 nan 8.230 nan 0.000 0.426 77 D N 1.517 122.051 120.400 0.223 0.000 2.401 77 D HA -0.048 4.592 4.640 0.000 0.000 0.254 77 D C 1.189 177.510 176.300 0.035 0.000 1.192 77 D CA 0.027 54.078 54.000 0.085 0.000 0.885 77 D CB 1.307 42.043 40.800 -0.107 0.000 1.147 77 D HN 0.522 nan 8.370 nan 0.000 0.478 78 S N 2.988 118.705 115.700 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 -0.586 62.618 63.200 0.008 0.000 0.763 78 S HN 1.067 nan 8.310 nan 0.000 0.532 79 G N -0.005 108.782 108.800 -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 0.174 175.061 174.900 -0.021 0.000 0.981 79 G CA -0.021 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 -1.062 121.753 122.820 -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 -0.434 51.605 52.037 0.003 0.000 0.674 80 A CB 1.183 20.186 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 -0.148 177.208 177.300 0.092 0.000 1.238 81 P CA 0.015 63.172 63.100 0.094 0.000 0.794 81 P CB 0.200 31.997 31.700 0.161 0.000 0.959 82 I N 1.135 121.773 120.570 0.112 0.000 2.821 82 I HA -0.088 4.082 4.170 0.000 0.000 0.294 82 I C 1.290 177.440 176.117 0.055 0.000 1.210 82 I CA 0.942 62.283 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 7.547 128.084 120.500 0.062 0.000 2.494 83 R HA 0.680 5.020 4.340 0.000 0.000 0.305 83 R C -0.659 175.737 176.300 0.160 0.000 0.959 83 R CA -0.782 55.376 56.100 0.095 0.000 0.864 83 R CB 1.896 32.260 30.300 0.107 0.000 1.159 83 R HN 0.589 nan 8.270 nan 0.000 0.446 84 I N -0.945 119.701 120.570 0.127 0.000 2.846 84 I HA 0.592 4.762 4.170 0.000 0.000 0.307 84 I C -2.446 173.621 176.117 -0.083 0.000 1.053 84 I CA -3.395 57.968 61.300 0.105 0.000 1.050 84 I CB 2.123 40.110 38.000 -0.022 0.000 1.239 84 I HN 0.322 nan 8.210 nan 0.000 0.439 85 P HA 0.054 nan 4.420 nan 0.000 0.260 85 P C -0.395 176.563 177.300 -0.571 0.000 1.207 85 P CA 0.154 62.738 63.100 -0.859 0.000 0.780 85 P CB 0.475 31.875 31.700 -0.500 0.000 0.789 86 V N 1.274 120.803 119.914 -0.642 0.000 2.815 86 V HA 1.030 5.150 4.120 0.000 0.000 0.314 86 V C 0.211 175.763 176.094 -0.904 0.000 1.064 86 V CA -0.282 61.626 62.300 -0.653 0.000 0.952 86 V CB 1.522 33.013 31.823 -0.552 0.000 1.020 86 V HN 0.882 nan 8.190 nan 0.000 0.439 87 G N 3.007 111.107 108.800 -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 -2.704 172.046 174.900 -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 -0.004 nan 4.420 nan 0.000 0.220 88 P C 1.168 178.459 177.300 -0.014 0.000 1.148 88 P CA 1.556 64.694 63.100 0.063 0.000 0.803 88 P CB 0.038 31.756 31.700 0.030 0.000 0.782 89 E N 0.097 120.265 120.200 -0.054 0.000 2.485 89 E HA -0.034 4.316 4.350 0.000 0.000 0.194 89 E C 1.085 177.657 176.600 -0.047 0.000 1.098 89 E CA 0.869 57.241 56.400 -0.047 0.000 0.878 89 E CB -1.229 28.439 29.700 -0.053 0.000 0.939 89 E HN 0.365 nan 8.360 nan 0.000 0.503 90 T N -1.765 112.768 114.554 -0.035 0.000 3.051 90 T HA 0.136 4.486 4.350 0.000 0.000 0.255 90 T C 1.092 175.824 174.700 0.053 0.000 1.085 90 T CA -0.325 61.765 62.100 -0.015 0.000 1.109 90 T CB -0.253 68.585 68.868 -0.050 0.000 0.921 90 T HN 0.028 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 1.775 178.688 176.870 0.071 0.000 1.218 91 L CA 1.054 55.929 54.840 0.058 0.000 0.878 91 L CB -0.075 41.967 42.059 -0.029 0.000 1.127 91 L HN 0.548 nan 8.230 nan 0.000 0.492 92 G N 1.231 110.092 108.800 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 0.426 175.411 174.900 0.141 0.000 0.975 92 G CA -0.117 45.055 45.100 0.120 0.000 0.644 92 G HN 0.455 nan 8.290 nan 0.000 0.537 93 R N -0.395 120.167 120.500 0.104 0.000 2.782 93 R HA 0.791 5.131 4.340 0.000 0.000 0.258 93 R C 0.247 176.580 176.300 0.055 0.000 1.055 93 R CA -1.075 55.069 56.100 0.073 0.000 1.065 93 R CB 0.773 31.094 30.300 0.036 0.000 1.172 93 R HN 0.280 nan 8.270 nan 0.000 0.510 94 I N 1.468 122.034 120.570 -0.007 0.000 2.418 94 I HA 0.414 4.584 4.170 0.000 0.000 0.287 94 I C -0.006 176.112 176.117 0.002 0.000 1.008 94 I CA -0.360 60.930 61.300 -0.017 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 4.243 123.866 119.600 0.038 0.000 2.724 95 M HA 0.434 4.914 4.480 0.000 0.000 0.310 95 M C -0.313 176.014 176.300 0.045 0.000 1.217 95 M CA -0.627 54.687 55.300 0.024 0.000 0.894 95 M CB 2.100 34.701 32.600 0.003 0.000 1.719 95 M HN 0.481 nan 8.290 nan 0.000 0.479 96 N N -0.442 118.276 118.700 0.030 0.000 2.405 96 N HA 0.286 5.026 4.740 0.000 0.000 0.269 96 N C 0.678 176.198 175.510 0.017 0.000 1.249 96 N CA -0.313 52.755 53.050 0.031 0.000 0.974 96 N CB 1.142 39.642 38.487 0.022 0.000 1.204 96 N HN 0.457 nan 8.380 nan 0.000 0.565 97 V N 0.454 120.379 119.914 0.018 0.000 2.427 97 V HA -0.150 3.970 4.120 0.000 0.000 0.248 97 V C 1.663 177.758 176.094 0.001 0.000 1.051 97 V CA 1.582 63.884 62.300 0.004 0.000 1.048 97 V CB -0.902 30.928 31.823 0.012 0.000 0.666 97 V HN 0.743 nan 8.190 nan 0.000 0.456 98 I N -0.936 119.643 120.570 0.015 0.000 3.806 98 I HA 0.610 4.780 4.170 0.000 0.000 0.321 98 I C 1.273 177.410 176.117 0.033 0.000 1.315 98 I CA 0.532 61.846 61.300 0.023 0.000 1.148 98 I CB -0.511 37.505 38.000 0.027 0.000 1.028 98 I HN 0.320 nan 8.210 nan 0.000 0.415 99 G N 1.184 109.997 108.800 0.023 0.000 2.147 99 G HA2 -0.254 3.706 3.960 0.000 0.000 0.244 99 G HA3 -0.254 3.706 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 0.059 45.176 45.100 0.029 0.000 0.713 99 G HN 0.685 nan 8.290 nan 0.000 0.515 100 E N 0.972 121.191 120.200 0.031 0.000 2.204 100 E HA 0.421 4.771 4.350 0.000 0.000 0.276 100 E C -2.378 174.232 176.600 0.016 0.000 0.974 100 E CA -2.187 54.230 56.400 0.030 0.000 0.815 100 E CB 1.696 31.411 29.700 0.025 0.000 1.119 100 E HN 0.136 nan 8.360 nan 0.000 0.393 101 P HA 0.007 nan 4.420 nan 0.000 0.269 101 P C 0.155 177.449 177.300 -0.009 0.000 1.209 101 P CA 0.391 63.491 63.100 -0.000 0.000 0.776 101 P CB 0.328 32.030 31.700 0.004 0.000 0.876 102 I N -1.487 119.065 120.570 -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 61.026 61.300 -0.046 0.000 1.112 102 I CB 0.234 38.211 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 -0.056 53.881 54.000 -0.104 0.000 0.835 103 D CB -0.033 40.685 40.800 -0.137 0.000 0.965 103 D HN 0.244 nan 8.370 nan 0.000 0.505 104 E N 0.004 120.198 120.200 -0.010 0.000 2.791 104 E HA -0.256 4.094 4.350 0.000 0.000 0.271 104 E C 0.232 176.847 176.600 0.024 0.000 1.044 104 E CA 0.401 56.807 56.400 0.010 0.000 0.814 104 E CB -1.639 28.071 29.700 0.018 0.000 1.400 104 E HN 0.567 nan 8.360 nan 0.000 0.423 105 R N 0.034 120.549 120.500 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 -2.579 172.334 174.900 0.021 0.000 1.349 106 G CA -1.276 43.836 45.100 0.020 0.000 0.847 106 G HN 0.003 nan 8.290 nan 0.000 0.548 107 P HA 0.316 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 0.104 63.223 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 1.465 122.051 120.570 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 5.693 126.087 120.400 -0.010 0.000 2.187 109 K HA 0.183 4.503 4.320 0.000 0.000 0.242 109 K C 0.245 176.819 176.600 -0.044 0.000 1.179 109 K CA -0.246 56.043 56.287 0.003 0.000 1.097 109 K CB -0.165 32.346 32.500 0.018 0.000 1.634 109 K HN 0.593 nan 8.250 nan 0.000 0.335 110 T N -1.767 112.714 114.554 -0.122 0.000 2.913 110 T HA 0.198 4.548 4.350 0.000 0.000 0.287 110 T C 1.081 175.707 174.700 -0.123 0.000 1.008 110 T CA -0.859 61.108 62.100 -0.222 0.000 1.067 110 T CB 1.617 70.192 68.868 -0.489 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 0.018 0.000 1.052 111 K CA 0.857 57.135 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 -0.426 119.314 119.800 -0.099 0.000 2.445 112 Q HA 0.532 4.872 4.340 0.000 0.000 0.281 112 Q C -1.034 174.773 176.000 -0.322 0.000 1.101 112 Q CA -0.662 55.117 55.803 -0.041 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 -0.187 119.722 119.950 -0.067 0.000 2.565 113 F HA 0.830 5.357 4.527 -0.000 0.000 0.313 113 F C -0.587 175.180 175.800 -0.056 0.000 1.091 113 F CA -0.824 57.134 58.000 -0.070 0.000 0.915 113 F CB 2.247 41.219 39.000 -0.047 0.000 1.208 113 F HN 0.650 nan 8.300 nan 0.000 0.453 114 A N 1.520 124.375 122.820 0.058 0.000 2.386 114 A HA 0.884 5.204 4.320 0.000 0.000 0.311 114 A C -1.143 176.462 177.584 0.036 0.000 1.068 114 A CA -0.753 51.300 52.037 0.027 0.000 0.743 114 A CB 1.137 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 1.445 124.286 122.820 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 -0.034 52.023 52.037 0.034 0.000 0.804 115 A CB -0.361 18.674 19.000 0.059 0.000 1.064 115 A HN 1.602 nan 8.150 nan 0.000 0.499 116 I N -0.402 120.129 120.570 -0.065 0.000 2.756 116 I HA -0.037 4.133 4.170 0.000 0.000 0.262 116 I C 0.165 176.114 176.117 -0.279 0.000 1.225 116 I CA 0.685 61.874 61.300 -0.185 0.000 1.472 116 I CB -0.364 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 2.394 121.454 119.070 -0.017 0.000 2.517 117 H HA 0.796 5.352 4.556 0.000 0.000 0.317 117 H C -0.387 174.929 175.328 -0.020 0.000 1.080 117 H CA -0.071 55.967 56.048 -0.018 0.000 1.301 117 H CB 1.607 31.364 29.762 -0.008 0.000 1.425 117 H HN 0.429 nan 8.280 nan 0.000 0.471 118 A N 3.151 126.017 122.820 0.076 0.000 2.612 118 A HA 0.334 4.654 4.320 0.000 0.000 0.293 118 A C -0.681 176.917 177.584 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 0.628 120.838 120.200 0.015 0.000 2.383 119 E HA 0.485 4.835 4.350 0.000 0.000 0.264 119 E C 0.473 177.074 176.600 0.001 0.000 1.050 119 E CA 0.238 56.644 56.400 0.011 0.000 0.896 119 E CB 1.369 31.075 29.700 0.011 0.000 0.982 119 E HN 0.850 nan 8.360 nan 0.000 0.424 120 A N 3.773 126.594 122.820 0.002 0.000 2.322 120 A HA 0.425 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 0.024 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 29.765 29.700 0.065 0.000 0.998 122 E HN 0.384 nan 8.360 nan 0.000 0.442 123 F N 1.838 121.788 119.950 0.000 0.000 2.126 123 F HA -0.200 4.327 4.527 0.000 0.000 0.299 123 F C 1.760 177.560 175.800 0.000 0.000 1.096 123 F CA 1.555 59.556 58.000 0.001 0.000 1.255 123 F CB -0.190 38.812 39.000 0.003 0.000 0.997 123 F HN 0.244 nan 8.300 nan 0.000 0.479 124 V N -2.146 117.747 119.914 -0.036 0.000 3.541 124 V HA -0.015 4.105 4.120 0.000 0.000 0.272 124 V C 1.152 177.174 176.094 -0.120 0.000 1.215 124 V CA 1.334 63.549 62.300 -0.141 0.000 1.176 124 V CB -1.062 30.743 31.823 -0.030 0.000 0.854 124 V HN 0.429 nan 8.190 nan 0.000 0.496 125 E N -0.234 119.909 120.200 -0.094 0.000 2.489 125 E HA 0.255 4.605 4.350 0.000 0.000 0.204 125 E C 0.568 177.115 176.600 -0.087 0.000 1.006 125 E CA -0.342 56.017 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 0.731 120.247 119.600 -0.139 0.000 2.245 126 M HA 0.145 4.625 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 0.271 55.496 55.300 -0.126 0.000 1.172 126 M CB 0.900 33.403 32.600 -0.162 0.000 1.467 126 M HN -0.164 nan 8.290 nan 0.000 0.454 127 S N 0.533 116.186 115.700 -0.078 0.000 2.566 127 S HA 0.739 5.209 4.470 0.000 0.000 0.298 127 S C -0.103 174.469 174.600 -0.047 0.000 1.083 127 S CA -0.744 57.419 58.200 -0.061 0.000 0.978 127 S CB 1.258 64.433 63.200 -0.041 0.000 1.073 127 S HN 0.607 nan 8.310 nan 0.000 0.491 128 V N 0.308 120.199 119.914 -0.039 0.000 2.925 128 V HA 0.562 4.682 4.120 0.000 0.000 0.361 128 V C -0.302 175.785 176.094 -0.012 0.000 1.361 128 V CA -0.601 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 2.027 122.221 120.200 -0.011 0.000 2.366 129 E HA 0.475 4.825 4.350 0.000 0.000 0.266 129 E C -0.344 176.259 176.600 0.005 0.000 1.051 129 E CA 0.176 56.574 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 2.042 121.849 119.800 0.012 0.000 2.695 130 Q HA 0.284 4.624 4.340 0.000 0.000 0.246 130 Q C -0.780 175.237 176.000 0.028 0.000 0.961 130 Q CA -0.188 55.627 55.803 0.020 0.000 0.708 130 Q CB 1.581 30.331 28.738 0.021 0.000 1.282 130 Q HN 0.366 nan 8.270 nan 0.000 0.482 131 E N 2.443 122.662 120.200 0.033 0.000 2.145 131 E HA 0.334 4.684 4.350 0.000 0.000 0.270 131 E C -0.444 176.189 176.600 0.056 0.000 0.906 131 E CA -0.609 55.815 56.400 0.041 0.000 0.761 131 E CB 2.210 31.933 29.700 0.037 0.000 1.116 131 E HN 0.517 nan 8.360 nan 0.000 0.408 132 I N 3.953 124.561 120.570 0.064 0.000 2.815 132 I HA -0.113 4.057 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 0.295 61.643 61.300 0.081 0.000 1.431 132 I CB 0.416 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 8.966 130.251 121.223 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 3.297 123.246 119.914 0.059 0.000 2.617 134 V HA 0.019 4.139 4.120 0.000 0.000 0.304 134 V C 1.586 177.687 176.094 0.012 0.000 1.040 134 V CA 1.146 63.464 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 0.008 114.541 114.554 -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 0.836 62.909 62.100 -0.045 0.000 1.036 135 T CB 0.673 69.460 68.868 -0.135 0.000 0.994 135 T HN 1.552 nan 8.240 nan 0.000 0.489 136 G N 1.816 110.597 108.800 -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 -0.033 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 1.513 122.075 120.570 -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 -0.388 60.944 61.300 0.054 0.000 1.293 137 I CB 1.041 39.079 38.000 0.062 0.000 1.403 137 I HN 0.059 nan 8.210 nan 0.000 0.484 138 K N 3.936 124.363 120.400 0.046 0.000 2.000 138 K HA -0.178 4.142 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 -0.189 32.318 32.500 0.011 0.000 0.723 138 K HN 0.582 nan 8.250 nan 0.000 0.446 139 V N 0.907 120.849 119.914 0.047 0.000 2.219 139 V HA -0.285 3.835 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 2.056 64.362 62.300 0.010 0.000 1.009 139 V CB -1.062 30.779 31.823 0.029 0.000 0.636 139 V HN 0.097 nan 8.190 nan 0.000 0.445 140 V N 0.729 120.639 119.914 -0.008 0.000 2.231 140 V HA -0.327 3.793 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 2.572 64.822 62.300 -0.084 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 -0.293 120.070 120.400 -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 0.325 nan 8.370 nan 0.000 0.448 142 L N 0.369 121.657 121.223 0.107 0.000 1.970 142 L HA -0.146 4.194 4.340 0.000 0.000 0.212 142 L C 2.199 179.162 176.870 0.155 0.000 1.071 142 L CA 1.688 56.617 54.840 0.148 0.000 0.751 142 L CB -0.432 41.615 42.059 -0.019 0.000 0.889 142 L HN 0.037 nan 8.230 nan 0.000 0.432 143 L N -1.599 119.635 121.223 0.018 0.000 2.357 143 L HA 0.276 4.616 4.340 0.000 0.000 0.211 143 L C 0.875 177.736 176.870 -0.014 0.000 1.075 143 L CA 0.507 55.327 54.840 -0.032 0.000 0.830 143 L CB -0.182 41.837 42.059 -0.065 0.000 0.996 143 L HN 0.282 nan 8.230 nan 0.000 0.467 144 A N 0.373 123.206 122.820 0.022 0.000 3.410 144 A HA 0.456 4.776 4.320 0.000 0.000 0.276 144 A C -2.585 175.058 177.584 0.098 0.000 0.995 144 A CA -1.018 51.059 52.037 0.068 0.000 0.934 144 A CB -0.247 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 -0.601 176.822 177.300 0.204 0.000 1.175 145 P CA 0.753 63.891 63.100 0.063 0.000 0.761 145 P CB 0.240 31.971 31.700 0.051 0.000 0.794 146 Y N 1.140 121.474 120.300 0.056 0.000 2.298 146 Y HA 0.511 5.061 4.550 0.000 0.000 0.329 146 Y C 0.962 176.883 175.900 0.034 0.000 1.293 146 Y CA -1.664 56.462 58.100 0.043 0.000 1.388 146 Y CB 0.274 38.759 38.460 0.042 0.000 1.309 146 Y HN 0.370 nan 8.280 nan 0.000 0.544 147 A N 2.205 125.139 122.820 0.190 0.000 2.356 147 A HA 0.463 4.783 4.320 0.000 0.000 0.310 147 A C -0.406 177.217 177.584 0.065 0.000 1.075 147 A CA -1.116 50.983 52.037 0.103 0.000 0.746 147 A CB 0.758 19.799 19.000 0.067 0.000 1.221 147 A HN 0.726 nan 8.150 nan 0.000 0.443 148 K N 0.970 121.405 120.400 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 1.716 58.024 56.287 0.034 0.000 1.050 148 K CB 0.092 32.618 32.500 0.043 0.000 0.889 148 K HN 1.714 nan 8.250 nan 0.000 0.484 149 G N 2.305 111.094 108.800 -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 -0.652 108.128 108.800 -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 -0.128 174.728 174.900 -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 0.113 120.475 120.400 -0.064 0.000 2.240 151 K HA 0.428 4.748 4.320 0.000 0.000 0.271 151 K C -0.814 175.712 176.600 -0.123 0.000 1.018 151 K CA -0.158 56.074 56.287 -0.091 0.000 0.874 151 K CB 1.805 34.279 32.500 -0.043 0.000 1.098 151 K HN 0.251 nan 8.250 nan 0.000 0.458 152 I N 1.027 121.472 120.570 -0.208 0.000 2.493 152 I HA 0.403 4.573 4.170 0.000 0.000 0.298 152 I C 0.274 176.250 176.117 -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 39.849 38.000 -0.621 0.000 1.310 152 I HN 0.630 nan 8.210 nan 0.000 0.445 153 G N 6.106 114.806 108.800 -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 -1.158 173.685 174.900 -0.095 0.000 1.387 153 G CA -0.501 44.484 45.100 -0.190 0.000 0.982 153 G HN 0.416 nan 8.290 nan 0.000 0.501 154 L N 2.300 123.439 121.223 -0.140 0.000 2.277 154 L HA 0.452 4.792 4.340 0.000 0.000 0.284 154 L C -0.777 176.058 176.870 -0.058 0.000 1.028 154 L CA -0.607 54.240 54.840 0.012 0.000 0.835 154 L CB 0.844 42.939 42.059 0.059 0.000 1.215 154 L HN 0.334 nan 8.230 nan 0.000 0.425 155 F N 1.514 121.451 119.950 -0.021 0.000 2.394 155 F HA 0.733 5.260 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 1.990 40.936 39.000 -0.090 0.000 1.145 155 F HN 0.444 nan 8.300 nan 0.000 0.505 156 G N 1.187 110.066 108.800 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 -0.718 174.168 174.900 -0.025 0.000 1.471 156 G CA -0.426 44.718 45.100 0.074 0.000 0.912 156 G HN 0.926 nan 8.290 nan 0.000 0.553 157 G N -0.338 108.425 108.800 -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 0.764 175.680 174.900 0.026 0.000 1.305 157 G CA 0.366 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 -1.262 121.638 122.820 0.134 0.000 2.524 158 A HA 0.523 4.843 4.320 0.000 0.000 0.250 158 A C 1.434 179.090 177.584 0.121 0.000 1.078 158 A CA 0.968 53.140 52.037 0.224 0.000 0.761 158 A CB -0.610 18.533 19.000 0.238 0.000 1.012 158 A HN 2.557 nan 8.150 nan 0.000 0.500 159 G N 1.050 109.916 108.800 0.111 0.000 2.272 159 G HA2 -0.094 3.866 3.960 0.000 0.000 0.280 159 G HA3 -0.094 3.866 3.960 0.000 0.000 0.280 159 G C 0.474 175.420 174.900 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 -4.079 115.893 119.914 0.097 0.000 3.605 160 V HA 0.709 4.829 4.120 0.000 0.000 0.284 160 V C 1.687 177.880 176.094 0.163 0.000 1.386 160 V CA 1.022 63.396 62.300 0.124 0.000 1.053 160 V CB 0.383 32.259 31.823 0.088 0.000 0.857 160 V HN 2.075 nan 8.190 nan 0.000 0.436 161 G N 0.577 109.453 108.800 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 0.672 175.667 174.900 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 0.199 120.683 120.400 0.139 0.000 2.001 162 K HA -0.114 4.206 4.320 0.000 0.000 0.214 162 K C 2.489 179.178 176.600 0.147 0.000 1.050 162 K CA 2.124 58.494 56.287 0.138 0.000 0.934 162 K CB -0.479 32.092 32.500 0.118 0.000 0.718 162 K HN 0.277 nan 8.250 nan 0.000 0.443 163 T N 1.269 115.907 114.554 0.139 0.000 2.746 163 T HA -0.100 4.250 4.350 0.000 0.000 0.267 163 T C 2.119 176.909 174.700 0.151 0.000 1.039 163 T CA 1.193 63.382 62.100 0.149 0.000 1.142 163 T CB -0.240 68.716 68.868 0.146 0.000 0.866 163 T HN -0.041 nan 8.240 nan 0.000 0.444 164 V N 1.510 121.519 119.914 0.159 0.000 2.287 164 V HA -0.130 3.990 4.120 0.000 0.000 0.248 164 V C 2.416 178.648 176.094 0.231 0.000 1.053 164 V CA 1.413 63.837 62.300 0.207 0.000 1.027 164 V CB -0.672 31.288 31.823 0.230 0.000 0.646 164 V HN 0.333 nan 8.190 nan 0.000 0.447 165 L N -0.431 120.958 121.223 0.277 0.000 2.079 165 L HA -0.161 4.179 4.340 0.000 0.000 0.210 165 L C 2.093 179.043 176.870 0.132 0.000 1.081 165 L CA 1.852 56.854 54.840 0.270 0.000 0.752 165 L CB -0.424 41.820 42.059 0.308 0.000 0.896 165 L HN 0.243 nan 8.230 nan 0.000 0.433 166 I N -1.577 119.074 120.570 0.136 0.000 2.546 166 I HA -0.245 3.925 4.170 0.000 0.000 0.255 166 I C 1.954 178.061 176.117 -0.016 0.000 1.163 166 I CA 0.516 61.877 61.300 0.101 0.000 1.457 166 I CB 0.059 38.152 38.000 0.155 0.000 1.092 166 I HN 0.302 nan 8.210 nan 0.000 0.434 167 M N -0.333 119.272 119.600 0.009 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 1.564 56.837 55.300 -0.045 0.000 1.131 167 M CB -1.193 31.423 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 1.937 178.409 176.600 -0.214 0.000 0.997 168 E CA 0.638 56.866 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 0.446 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 2.158 179.023 176.870 -0.009 0.000 1.096 169 L CA 0.528 55.368 54.840 0.001 0.000 0.779 169 L CB -0.127 42.038 42.059 0.176 0.000 0.922 169 L HN 0.212 nan 8.230 nan 0.000 0.443 170 I N -0.046 120.421 120.570 -0.172 0.000 2.252 170 I HA -0.296 3.874 4.170 0.000 0.000 0.245 170 I C 2.258 178.328 176.117 -0.079 0.000 1.102 170 I CA 1.330 62.486 61.300 -0.240 0.000 1.385 170 I CB -0.178 37.582 38.000 -0.400 0.000 1.064 170 I HN 0.350 nan 8.210 nan 0.000 0.414 171 N N 1.206 119.853 118.700 -0.087 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 -0.081 38.360 38.487 -0.077 0.000 1.031 171 N HN 0.118 nan 8.380 nan 0.000 0.425 172 N N -0.872 117.801 118.700 -0.044 0.000 2.573 172 N HA -0.027 4.713 4.740 0.000 0.000 0.187 172 N C 0.555 176.081 175.510 0.027 0.000 1.107 172 N CA 0.488 53.526 53.050 -0.021 0.000 0.918 172 N CB 0.444 38.898 38.487 -0.053 0.000 0.966 172 N HN 0.208 nan 8.380 nan 0.000 0.448 173 V N -1.379 118.574 119.914 0.064 0.000 3.261 173 V HA 0.242 4.362 4.120 0.000 0.000 0.212 173 V C 1.880 178.068 176.094 0.157 0.000 1.381 173 V CA 0.588 62.956 62.300 0.115 0.000 1.322 173 V CB -0.654 31.262 31.823 0.156 0.000 1.188 173 V HN 0.100 nan 8.190 nan 0.000 0.520 174 A N 0.555 123.488 122.820 0.187 0.000 1.883 174 A HA -0.231 4.089 4.320 0.000 0.000 0.217 174 A C 2.092 179.775 177.584 0.166 0.000 1.186 174 A CA 2.316 54.490 52.037 0.229 0.000 0.624 174 A CB -0.494 18.654 19.000 0.247 0.000 0.822 174 A HN 0.511 nan 8.150 nan 0.000 0.444 175 K N -0.603 119.853 120.400 0.093 0.000 2.103 175 K HA -0.125 4.195 4.320 0.000 0.000 0.207 175 K C 2.093 178.731 176.600 0.063 0.000 1.048 175 K CA 1.298 57.621 56.287 0.062 0.000 0.930 175 K CB -0.262 32.252 32.500 0.023 0.000 0.716 175 K HN 0.482 nan 8.250 nan 0.000 0.444 176 A N 0.585 123.449 122.820 0.074 0.000 2.081 176 A HA -0.058 4.262 4.320 0.000 0.000 0.214 176 A C 0.518 178.139 177.584 0.061 0.000 1.158 176 A CA 0.087 52.154 52.037 0.051 0.000 0.724 176 A CB -0.436 18.589 19.000 0.041 0.000 0.826 176 A HN 0.349 nan 8.150 nan 0.000 0.463 177 H N 0.749 119.828 119.070 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 -0.042 0.000 0.926 177 H CA 0.524 56.572 56.048 -0.000 0.000 1.409 177 H CB 0.338 30.118 29.762 0.030 0.000 1.406 177 H HN 0.140 nan 8.280 nan 0.000 0.561 178 G N 3.793 112.217 108.800 -0.627 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 -0.109 174.314 174.900 -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 0.838 109.216 108.800 -0.704 0.000 2.324 179 G HA2 0.370 4.330 3.960 0.000 0.000 0.293 179 G HA3 0.370 4.330 3.960 0.000 0.000 0.293 179 G C -1.264 173.402 174.900 -0.390 0.000 1.297 179 G CA -0.961 43.790 45.100 -0.582 0.000 0.853 179 G HN 0.276 nan 8.290 nan 0.000 0.535 180 Y N 0.016 120.319 120.300 0.004 0.000 2.344 180 Y HA 0.759 5.309 4.550 -0.000 0.000 0.330 180 Y C 1.078 177.043 175.900 0.108 0.000 1.330 180 Y CA -0.362 57.705 58.100 -0.055 0.000 1.479 180 Y CB 1.495 39.680 38.460 -0.459 0.000 1.428 180 Y HN 0.478 nan 8.280 nan 0.000 0.544 181 S N -0.208 115.666 115.700 0.290 0.000 2.540 181 S HA 0.692 5.162 4.470 0.000 0.000 0.275 181 S C -1.654 173.120 174.600 0.290 0.000 1.123 181 S CA -0.819 57.537 58.200 0.261 0.000 0.907 181 S CB 1.860 65.260 63.200 0.333 0.000 1.081 181 S HN 0.298 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 0.534 4.654 4.120 0.000 0.000 0.299 182 V C -1.394 174.853 176.094 0.254 0.000 1.034 182 V CA -0.624 61.817 62.300 0.235 0.000 0.863 182 V CB 1.361 33.282 31.823 0.163 0.000 0.999 182 V HN 0.849 nan 8.190 nan 0.000 0.423 183 F N 4.470 124.491 119.950 0.118 0.000 2.375 183 F HA 0.803 5.330 4.527 0.000 0.000 0.361 183 F C 0.282 176.013 175.800 -0.116 0.000 1.117 183 F CA -0.667 57.385 58.000 0.087 0.000 1.037 183 F CB 1.166 40.224 39.000 0.096 0.000 1.192 183 F HN 0.578 nan 8.300 nan 0.000 0.452 184 A N 4.660 127.242 122.820 -0.396 0.000 2.258 184 A HA 0.648 4.968 4.320 0.000 0.000 0.316 184 A C 0.105 177.394 177.584 -0.492 0.000 1.279 184 A CA -0.297 51.519 52.037 -0.368 0.000 0.876 184 A CB 0.128 18.963 19.000 -0.274 0.000 1.170 184 A HN 1.007 nan 8.150 nan 0.000 0.520 185 G N 1.400 109.887 108.800 -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 -0.589 174.257 174.900 -0.090 0.000 1.094 185 G CA -0.194 44.783 45.100 -0.205 0.000 0.953 185 G HN 0.709 nan 8.290 nan 0.000 0.420 186 V N 2.738 122.621 119.914 -0.052 0.000 2.334 186 V HA 0.583 4.703 4.120 0.000 0.000 0.281 186 V C 1.181 177.294 176.094 0.032 0.000 1.016 186 V CA 0.280 62.573 62.300 -0.013 0.000 0.832 186 V CB 0.731 32.533 31.823 -0.034 0.000 0.999 186 V HN 1.349 nan 8.190 nan 0.000 0.439 187 G N 3.325 112.153 108.800 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 0.059 0.000 1.021 187 G CA 0.470 45.595 45.100 0.042 0.000 0.798 187 G HN 0.598 nan 8.290 nan 0.000 0.507 188 E N -0.611 119.649 120.200 0.100 0.000 3.029 188 E HA 0.440 4.790 4.350 0.000 0.000 0.249 188 E C 0.958 177.623 176.600 0.109 0.000 1.089 188 E CA -0.871 55.594 56.400 0.110 0.000 1.089 188 E CB 0.461 30.250 29.700 0.147 0.000 1.428 188 E HN 0.392 nan 8.360 nan 0.000 0.555 189 R N 0.366 120.931 120.500 0.107 0.000 2.298 189 R HA 0.192 4.532 4.340 0.000 0.000 0.310 189 R C 1.150 177.490 176.300 0.068 0.000 1.068 189 R CA -0.003 56.144 56.100 0.078 0.000 0.957 189 R CB 0.406 30.747 30.300 0.069 0.000 1.003 189 R HN 0.409 nan 8.270 nan 0.000 0.454 190 T N 2.458 117.032 114.554 0.033 0.000 2.684 190 T HA -0.210 4.140 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 1.551 63.640 62.100 -0.018 0.000 1.148 190 T CB -0.148 68.705 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 2.126 178.429 176.300 0.005 0.000 1.150 191 R CA 2.119 58.223 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 -1.001 119.214 120.200 0.025 0.000 2.110 192 E HA -0.126 4.224 4.350 0.000 0.000 0.193 192 E C 1.915 178.511 176.600 -0.007 0.000 0.988 192 E CA 1.061 57.485 56.400 0.040 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 0.934 109.676 108.800 -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 -0.278 0.000 1.140 193 G CA 0.811 45.694 45.100 -0.362 0.000 0.775 193 G HN 0.175 nan 8.290 nan 0.000 0.545 194 N N 0.334 118.929 118.700 -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 1.234 54.242 53.050 -0.071 0.000 0.861 194 N CB 0.018 38.505 38.487 -0.000 0.000 0.986 194 N HN 0.077 nan 8.380 nan 0.000 0.428 195 D N 0.103 120.512 120.400 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 0.625 54.645 54.000 0.034 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 -0.013 121.182 121.223 -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 1.509 56.291 54.840 -0.097 0.000 0.745 196 L CB -0.848 41.069 42.059 -0.238 0.000 0.892 196 L HN 0.003 nan 8.230 nan 0.000 0.431 197 Y N 0.496 120.680 120.300 -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 2.410 60.379 58.100 -0.218 0.000 1.123 197 Y CB -1.000 37.237 38.460 -0.372 0.000 0.963 197 Y HN 0.466 nan 8.280 nan 0.000 0.493 198 H N -0.999 118.017 119.070 -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 1.161 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 -0.276 119.920 120.200 -0.007 0.000 2.086 199 E HA -0.105 4.245 4.350 0.000 0.000 0.190 199 E C 1.792 178.358 176.600 -0.058 0.000 0.975 199 E CA 0.472 56.852 56.400 -0.033 0.000 0.813 199 E CB 0.226 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 0.216 119.773 119.600 -0.073 0.000 2.082 200 M HA -0.178 4.302 4.480 0.000 0.000 0.258 200 M C 2.222 178.476 176.300 -0.076 0.000 1.069 200 M CA 1.511 56.775 55.300 -0.060 0.000 1.102 200 M CB -0.851 31.730 32.600 -0.033 0.000 1.336 200 M HN 0.181 nan 8.290 nan 0.000 0.404 201 I N -0.217 120.268 120.570 -0.142 0.000 2.113 201 I HA -0.255 3.915 4.170 0.000 0.000 0.238 201 I C 2.293 178.363 176.117 -0.078 0.000 1.070 201 I CA 1.060 62.278 61.300 -0.137 0.000 1.332 201 I CB -0.469 37.402 38.000 -0.216 0.000 1.044 201 I HN 0.225 nan 8.210 nan 0.000 0.402 202 E N 0.701 120.861 120.200 -0.066 0.000 2.333 202 E HA -0.189 4.161 4.350 0.000 0.000 0.200 202 E C 1.786 178.361 176.600 -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 -2.239 113.437 115.700 -0.040 0.000 2.663 203 S HA 0.356 4.826 4.470 0.000 0.000 0.243 203 S C 1.374 175.960 174.600 -0.022 0.000 1.009 203 S CA 0.345 58.528 58.200 -0.029 0.000 0.988 203 S CB 0.626 63.809 63.200 -0.029 0.000 0.896 203 S HN 0.195 nan 8.310 nan 0.000 0.502 204 G N 1.248 110.032 108.800 -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 0.798 175.696 174.900 -0.004 0.000 0.982 204 G CA 0.560 45.650 45.100 -0.016 0.000 0.670 204 G HN 0.937 nan 8.290 nan 0.000 0.533 205 V N -0.559 119.355 119.914 -0.001 0.000 2.626 205 V HA 0.193 4.313 4.120 0.000 0.000 0.252 205 V C 1.592 177.708 176.094 0.036 0.000 1.067 205 V CA 1.490 63.804 62.300 0.024 0.000 1.081 205 V CB -0.248 31.595 31.823 0.033 0.000 0.686 205 V HN 0.506 nan 8.190 nan 0.000 0.468 206 I N 1.287 121.865 120.570 0.013 0.000 2.404 206 I HA 0.397 4.567 4.170 0.000 0.000 0.293 206 I C -0.459 175.656 176.117 -0.004 0.000 0.992 206 I CA -0.218 61.094 61.300 0.020 0.000 1.149 206 I CB 1.642 39.647 38.000 0.007 0.000 1.315 206 I HN 0.089 nan 8.210 nan 0.000 0.446 207 N N 6.646 125.355 118.700 0.016 0.000 2.442 207 N HA 0.367 5.107 4.740 0.000 0.000 0.274 207 N C 0.162 175.682 175.510 0.017 0.000 1.002 207 N CA -0.401 52.654 53.050 0.008 0.000 0.910 207 N CB 1.819 40.315 38.487 0.015 0.000 1.244 207 N HN 0.558 nan 8.380 nan 0.000 0.492 208 L N 2.150 123.377 121.223 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 0.462 55.316 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 0.030 120.439 120.400 0.015 0.000 2.276 209 K HA 0.103 4.423 4.320 0.000 0.000 0.198 209 K C 0.283 176.892 176.600 0.015 0.000 1.052 209 K CA 0.508 56.803 56.287 0.013 0.000 0.984 209 K CB 0.213 32.717 32.500 0.007 0.000 0.836 209 K HN 0.405 nan 8.250 nan 0.000 0.490 210 D N -1.532 118.878 120.400 0.016 0.000 2.727 210 D HA 0.338 4.978 4.640 0.000 0.000 0.264 210 D C -0.507 175.807 176.300 0.023 0.000 1.101 210 D CA -0.817 53.194 54.000 0.018 0.000 1.122 210 D CB 0.436 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 -0.577 122.258 122.820 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 0.206 52.262 52.037 0.031 0.000 0.968 211 A CB -1.210 17.808 19.000 0.029 0.000 1.069 211 A HN 0.562 nan 8.150 nan 0.000 0.571 212 T N -2.952 111.622 114.554 0.034 0.000 3.163 212 T HA 0.178 4.528 4.350 0.000 0.000 0.252 212 T C 0.555 175.284 174.700 0.049 0.000 1.056 212 T CA 0.067 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 1.760 117.494 115.700 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 -0.379 57.865 58.200 0.073 0.000 1.063 213 S CB 0.853 64.095 63.200 0.070 0.000 0.881 213 S HN 0.413 nan 8.310 nan 0.000 0.493 214 K N 1.966 122.438 120.400 0.120 0.000 2.478 214 K HA 0.307 4.627 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 0.176 0.000 1.091 214 K CB 0.576 33.135 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 0.405 4.525 4.120 0.000 0.000 0.301 215 V C -0.792 175.410 176.094 0.180 0.000 1.082 215 V CA -1.214 61.202 62.300 0.193 0.000 0.899 215 V CB 1.559 33.490 31.823 0.180 0.000 1.014 215 V HN 0.138 nan 8.190 nan 0.000 0.429 216 A N 5.562 128.506 122.820 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 51.690 52.037 0.181 0.000 0.822 216 A CB 0.819 19.939 19.000 0.200 0.000 1.131 216 A HN 0.814 nan 8.150 nan 0.000 0.493 217 L N 1.686 123.002 121.223 0.155 0.000 2.362 217 L HA 0.699 5.039 4.340 0.000 0.000 0.271 217 L C -0.953 175.975 176.870 0.097 0.000 1.002 217 L CA -0.899 54.043 54.840 0.170 0.000 0.818 217 L CB 2.138 44.362 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 2.709 218 V HA 0.506 4.626 4.120 0.000 0.000 0.308 218 V C -1.411 174.534 176.094 -0.248 0.000 1.062 218 V CA -0.723 61.543 62.300 -0.058 0.000 0.901 218 V CB 1.996 33.771 31.823 -0.080 0.000 1.003 218 V HN 0.457 nan 8.190 nan 0.000 0.425 219 Y N 1.215 121.528 120.300 0.023 0.000 2.457 219 Y HA 0.731 5.281 4.550 0.000 0.000 0.343 219 Y C 0.535 176.442 175.900 0.012 0.000 0.994 219 Y CA -0.596 57.522 58.100 0.030 0.000 1.031 219 Y CB 2.844 41.312 38.460 0.013 0.000 1.246 219 Y HN 0.730 nan 8.280 nan 0.000 0.449 220 G N 3.573 112.467 108.800 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 -0.853 174.108 174.900 0.102 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 0.542 120.424 119.800 0.136 0.000 2.584 221 Q HA 0.204 4.544 4.340 0.000 0.000 0.218 221 Q C 1.824 177.861 176.000 0.062 0.000 1.079 221 Q CA -0.344 55.528 55.803 0.113 0.000 1.008 221 Q CB 0.727 29.536 28.738 0.118 0.000 1.267 221 Q HN 0.456 nan 8.270 nan 0.000 0.586 222 M N 0.766 120.397 119.600 0.051 0.000 2.530 222 M HA -0.196 4.284 4.480 0.000 0.000 0.261 222 M C 1.151 177.463 176.300 0.021 0.000 1.067 222 M CA 1.416 56.733 55.300 0.029 0.000 1.071 222 M CB -0.569 32.046 32.600 0.026 0.000 1.405 222 M HN 0.600 nan 8.290 nan 0.000 0.478 223 N N -0.567 118.147 118.700 0.023 0.000 2.322 223 N HA 0.039 4.779 4.740 0.000 0.000 0.194 223 N C -0.190 175.329 175.510 0.015 0.000 1.126 223 N CA -0.221 52.839 53.050 0.016 0.000 0.845 223 N CB 0.296 38.791 38.487 0.013 0.000 0.976 223 N HN 0.160 nan 8.380 nan 0.000 0.475 224 E N 1.569 121.779 120.200 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 -2.197 54.212 56.400 0.015 0.000 0.873 224 E CB 0.829 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 0.079 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 2.469 65.551 63.100 -0.029 0.000 0.909 226 P CB -0.740 30.939 31.700 -0.036 0.000 0.793 227 G N 0.395 109.190 108.800 -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 1.781 46.885 45.100 0.007 0.000 0.773 227 G HN 0.444 nan 8.290 nan 0.000 0.573 228 A N 0.451 123.281 122.820 0.016 0.000 1.902 228 A HA -0.026 4.294 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 1.733 53.783 52.037 0.022 0.000 0.623 228 A CB -0.404 18.609 19.000 0.022 0.000 0.818 228 A HN 0.375 nan 8.150 nan 0.000 0.443 229 R N -0.758 119.750 120.500 0.013 0.000 2.148 229 R HA -0.011 4.329 4.340 0.000 0.000 0.227 229 R C 2.128 178.447 176.300 0.032 0.000 1.103 229 R CA 0.936 57.043 56.100 0.011 0.000 0.983 229 R CB -0.300 29.991 30.300 -0.014 0.000 0.874 229 R HN 0.507 nan 8.270 nan 0.000 0.451 230 A N 0.332 123.165 122.820 0.022 0.000 2.206 230 A HA 0.005 4.325 4.320 0.000 0.000 0.211 230 A C 1.665 179.368 177.584 0.199 0.000 1.158 230 A CA 0.672 52.741 52.037 0.052 0.000 0.761 230 A CB 0.145 19.121 19.000 -0.041 0.000 0.801 230 A HN 0.069 nan 8.150 nan 0.000 0.473 231 R N -1.139 119.426 120.500 0.109 0.000 2.310 231 R HA 0.065 4.405 4.340 0.000 0.000 0.199 231 R C 1.931 178.230 176.300 -0.003 0.000 0.891 231 R CA 1.254 57.389 56.100 0.059 0.000 1.060 231 R CB -0.873 29.447 30.300 0.033 0.000 1.188 231 R HN 0.426 nan 8.270 nan 0.000 0.607 232 V N 0.708 120.622 119.914 -0.000 0.000 2.277 232 V HA -0.270 3.850 4.120 0.000 0.000 0.253 232 V C 2.482 178.525 176.094 -0.084 0.000 1.067 232 V CA 2.206 64.484 62.300 -0.037 0.000 1.047 232 V CB -1.518 30.287 31.823 -0.030 0.000 0.649 232 V HN 0.201 nan 8.190 nan 0.000 0.447 233 A N 0.661 123.428 122.820 -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 -0.197 0.000 1.177 233 A CA 2.366 54.303 52.037 -0.167 0.000 0.636 233 A CB -0.641 18.220 19.000 -0.232 0.000 0.815 233 A HN 0.589 nan 8.150 nan 0.000 0.449 234 L N -1.150 119.962 121.223 -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 1.898 56.607 54.840 -0.217 0.000 0.745 234 L CB -1.283 40.615 42.059 -0.267 0.000 0.894 234 L HN 0.349 nan 8.230 nan 0.000 0.432 235 T N -0.027 114.440 114.554 -0.144 0.000 2.665 235 T HA -0.173 4.177 4.350 0.000 0.000 0.268 235 T C 1.818 176.444 174.700 -0.123 0.000 1.035 235 T CA 1.547 63.576 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 1.598 110.322 108.800 -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 1.166 46.191 45.100 -0.126 0.000 0.776 236 G HN 0.482 nan 8.290 nan 0.000 0.552 237 L N 0.809 121.941 121.223 -0.152 0.000 2.079 237 L HA -0.026 4.314 4.340 0.000 0.000 0.210 237 L C 2.773 179.563 176.870 -0.132 0.000 1.081 237 L CA 2.808 57.559 54.840 -0.149 0.000 0.752 237 L CB -0.976 40.976 42.059 -0.179 0.000 0.896 237 L HN 0.188 nan 8.230 nan 0.000 0.433 238 T N -0.895 113.575 114.554 -0.140 0.000 2.746 238 T HA -0.153 4.197 4.350 0.000 0.000 0.267 238 T C 1.975 176.582 174.700 -0.155 0.000 1.039 238 T CA 1.596 63.617 62.100 -0.132 0.000 1.142 238 T CB -0.427 68.363 68.868 -0.130 0.000 0.866 238 T HN 0.232 nan 8.240 nan 0.000 0.444 239 V N 1.794 121.602 119.914 -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 -0.343 122.402 122.820 -0.125 0.000 1.908 240 A HA -0.277 4.043 4.320 0.000 0.000 0.218 240 A C 2.116 179.677 177.584 -0.038 0.000 1.181 240 A CA 2.034 54.062 52.037 -0.015 0.000 0.627 240 A CB -0.552 18.446 19.000 -0.003 0.000 0.818 240 A HN 0.667 nan 8.150 nan 0.000 0.445 241 E N -1.754 118.400 120.200 -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 1.737 177.549 175.900 -0.147 0.000 1.143 242 Y CA 1.585 59.517 58.100 -0.280 0.000 1.135 242 Y CB -0.291 37.871 38.460 -0.497 0.000 0.980 242 Y HN -0.076 nan 8.280 nan 0.000 0.499 243 F N 0.623 120.617 119.950 0.073 0.000 2.333 243 F HA -0.101 4.427 4.527 0.000 0.000 0.300 243 F C 2.628 178.401 175.800 -0.045 0.000 1.083 243 F CA 1.481 59.484 58.000 0.004 0.000 1.395 243 F CB -0.864 38.245 39.000 0.182 0.000 1.056 243 F HN 0.103 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 -0.089 4.251 4.340 0.000 0.000 0.226 244 R C 1.463 177.744 176.300 -0.030 0.000 1.125 244 R CA 1.686 57.809 56.100 0.038 0.000 0.966 244 R CB -0.102 30.206 30.300 0.014 0.000 0.861 244 R HN 0.113 nan 8.270 nan 0.000 0.433 245 D N -0.045 120.302 120.400 -0.089 0.000 2.355 245 D HA -0.057 4.583 4.640 0.000 0.000 0.233 245 D C 1.975 178.176 176.300 -0.165 0.000 0.997 245 D CA 0.664 54.601 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 0.614 120.224 119.800 -0.317 0.000 2.364 246 Q HA -0.062 4.278 4.340 0.000 0.000 0.209 246 Q C 1.299 177.088 176.000 -0.352 0.000 0.977 246 Q CA 0.962 56.527 55.803 -0.398 0.000 0.885 246 Q CB 0.090 28.412 28.738 -0.694 0.000 0.941 246 Q HN 0.557 nan 8.270 nan 0.000 0.464 247 E N -1.675 118.351 120.200 -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 0.423 56.770 56.400 -0.087 0.000 1.064 247 E CB 0.841 30.570 29.700 0.048 0.000 1.075 247 E HN 0.337 nan 8.360 nan 0.000 0.513 248 G N 2.443 111.227 108.800 -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 0.179 175.092 174.900 0.023 0.000 0.981 248 G CA 0.576 45.672 45.100 -0.006 0.000 0.665 248 G HN 0.221 nan 8.290 nan 0.000 0.528 249 Q N -0.385 119.455 119.800 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 -0.437 55.405 55.803 0.065 0.000 0.983 249 Q CB 0.382 29.181 28.738 0.101 0.000 1.211 249 Q HN 0.216 nan 8.270 nan 0.000 0.564 250 D N 0.802 121.238 120.400 0.060 0.000 2.365 250 D HA 0.225 4.865 4.640 0.000 0.000 0.237 250 D C -1.132 175.291 176.300 0.205 0.000 1.190 250 D CA -0.003 54.068 54.000 0.118 0.000 0.867 250 D CB 0.812 41.705 40.800 0.155 0.000 1.050 250 D HN 0.099 nan 8.370 nan 0.000 0.491 251 V N 2.889 122.876 119.914 0.122 0.000 2.716 251 V HA 0.436 4.556 4.120 0.000 0.000 0.304 251 V C 0.353 176.389 176.094 -0.098 0.000 1.053 251 V CA -0.897 61.463 62.300 0.101 0.000 0.984 251 V CB 1.680 33.595 31.823 0.152 0.000 1.021 251 V HN 0.344 nan 8.190 nan 0.000 0.467 252 L N 4.041 125.157 121.223 -0.178 0.000 2.349 252 L HA 0.503 4.843 4.340 0.000 0.000 0.278 252 L C -1.110 175.524 176.870 -0.393 0.000 0.996 252 L CA -0.578 54.016 54.840 -0.409 0.000 0.825 252 L CB 1.690 43.453 42.059 -0.494 0.000 1.243 252 L HN 0.424 nan 8.230 nan 0.000 0.412 253 L N 4.394 125.312 121.223 -0.509 0.000 2.305 253 L HA 0.586 4.926 4.340 0.000 0.000 0.284 253 L C -1.189 175.343 176.870 -0.564 0.000 1.013 253 L CA -0.013 54.596 54.840 -0.384 0.000 0.819 253 L CB 1.011 42.919 42.059 -0.252 0.000 1.227 253 L HN 0.179 nan 8.230 nan 0.000 0.417 254 F N 5.971 125.823 119.950 -0.163 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 -0.583 0.000 1.121 254 F CA -0.505 57.319 58.000 -0.293 0.000 0.997 254 F CB 1.442 40.355 39.000 -0.146 0.000 1.130 254 F HN 0.223 nan 8.300 nan 0.000 0.454 255 I N 2.680 123.061 120.570 -0.316 0.000 2.466 255 I HA 0.347 4.518 4.170 0.000 0.000 0.289 255 I C -1.424 174.517 176.117 -0.294 0.000 1.026 255 I CA -0.542 60.531 61.300 -0.378 0.000 1.078 255 I CB 2.153 39.999 38.000 -0.256 0.000 1.249 255 I HN 0.440 nan 8.210 nan 0.000 0.429 256 D N 5.909 126.124 120.400 -0.308 0.000 2.478 256 D HA 0.241 4.881 4.640 0.000 0.000 0.240 256 D C -1.475 174.812 176.300 -0.021 0.000 1.364 256 D CA -0.317 53.630 54.000 -0.090 0.000 0.987 256 D CB 1.158 41.965 40.800 0.011 0.000 1.328 256 D HN 0.398 nan 8.370 nan 0.000 0.584 257 N N 4.452 123.162 118.700 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 1.600 40.163 38.487 0.127 0.000 1.370 257 N HN 0.327 nan 8.380 nan 0.000 0.481 258 I N 3.950 124.525 120.570 0.009 0.000 2.530 258 I HA -0.146 4.024 4.170 0.000 0.000 0.257 258 I C 1.732 177.922 176.117 0.121 0.000 1.179 258 I CA 0.767 62.076 61.300 0.014 0.000 1.440 258 I CB -0.648 37.308 38.000 -0.073 0.000 1.087 258 I HN 0.623 nan 8.210 nan 0.000 0.440 259 F N 1.674 121.654 119.950 0.050 0.000 2.126 259 F HA -0.262 4.265 4.527 -0.000 0.000 0.299 259 F C 2.354 178.224 175.800 0.117 0.000 1.096 259 F CA 1.573 59.639 58.000 0.111 0.000 1.255 259 F CB -0.456 38.659 39.000 0.192 0.000 0.997 259 F HN -0.008 nan 8.300 nan 0.000 0.479 260 R N 0.203 120.642 120.500 -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 1.673 57.646 56.100 -0.211 0.000 0.984 260 R CB -2.024 28.258 30.300 -0.030 0.000 0.869 260 R HN 0.543 nan 8.270 nan 0.000 0.455 261 F N 1.605 121.435 119.950 -0.200 0.000 2.146 261 F HA -0.139 4.388 4.527 0.000 0.000 0.298 261 F C 1.898 177.598 175.800 -0.167 0.000 1.096 261 F CA 1.613 59.523 58.000 -0.150 0.000 1.275 261 F CB -0.396 38.534 39.000 -0.116 0.000 1.008 261 F HN -0.133 nan 8.300 nan 0.000 0.480 262 T N 0.146 114.470 114.554 -0.384 0.000 2.904 262 T HA -0.166 4.184 4.350 0.000 0.000 0.267 262 T C 1.880 176.344 174.700 -0.393 0.000 1.059 262 T CA 1.312 63.150 62.100 -0.436 0.000 1.137 262 T CB -0.266 68.505 68.868 -0.163 0.000 0.879 262 T HN 0.462 nan 8.240 nan 0.000 0.467 263 Q N 0.534 119.974 119.800 -0.601 0.000 2.172 263 Q HA 0.002 4.342 4.340 0.000 0.000 0.200 263 Q C 2.476 178.322 176.000 -0.257 0.000 0.964 263 Q CA 1.059 56.600 55.803 -0.437 0.000 0.855 263 Q CB -0.208 28.140 28.738 -0.649 0.000 0.918 263 Q HN 0.515 nan 8.270 nan 0.000 0.444 264 A N 0.783 123.434 122.820 -0.281 0.000 1.865 264 A HA -0.164 4.156 4.320 0.000 0.000 0.217 264 A C 2.272 179.743 177.584 -0.189 0.000 1.191 264 A CA 1.861 53.782 52.037 -0.194 0.000 0.623 264 A CB -1.472 17.427 19.000 -0.169 0.000 0.826 264 A HN 0.588 nan 8.150 nan 0.000 0.444 265 G N -0.406 108.226 108.800 -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 2.001 176.826 174.900 -0.125 0.000 1.158 265 G CA 1.934 46.899 45.100 -0.225 0.000 0.771 265 G HN 0.937 nan 8.290 nan 0.000 0.545 266 S N 0.797 116.437 115.700 -0.100 0.000 2.419 266 S HA -0.092 4.378 4.470 0.000 0.000 0.233 266 S C 1.989 176.550 174.600 -0.065 0.000 1.016 266 S CA 1.712 59.883 58.200 -0.049 0.000 0.974 266 S CB -0.368 62.819 63.200 -0.023 0.000 0.786 266 S HN 0.610 nan 8.310 nan 0.000 0.492 267 E N 0.775 120.930 120.200 -0.076 0.000 2.268 267 E HA -0.046 4.304 4.350 0.000 0.000 0.195 267 E C 2.010 178.582 176.600 -0.046 0.000 0.995 267 E CA 1.358 57.723 56.400 -0.058 0.000 0.836 267 E CB -0.177 29.489 29.700 -0.055 0.000 0.763 267 E HN 0.751 nan 8.360 nan 0.000 0.491 268 V N -2.901 116.984 119.914 -0.048 0.000 3.621 268 V HA 0.117 4.237 4.120 0.000 0.000 0.263 268 V C 2.143 178.221 176.094 -0.027 0.000 1.272 268 V CA 0.488 62.768 62.300 -0.033 0.000 1.080 268 V CB 0.655 32.460 31.823 -0.031 0.000 0.816 268 V HN 0.046 nan 8.190 nan 0.000 0.451 269 S N 1.815 117.496 115.700 -0.033 0.000 2.390 269 S HA -0.331 4.139 4.470 0.000 0.000 0.234 269 S C 2.184 176.775 174.600 -0.014 0.000 1.063 269 S CA 2.851 61.037 58.200 -0.022 0.000 1.108 269 S CB -0.614 62.575 63.200 -0.018 0.000 0.975 269 S HN 1.067 nan 8.310 nan 0.000 0.442 270 A N 1.251 124.061 122.820 -0.016 0.000 1.877 270 A HA 0.038 4.358 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 1.559 53.589 52.037 -0.011 0.000 0.620 270 A CB -0.835 18.157 19.000 -0.014 0.000 0.822 270 A HN 0.607 nan 8.150 nan 0.000 0.443 271 L N -0.671 120.546 121.223 -0.010 0.000 2.549 271 L HA -0.076 4.264 4.340 0.000 0.000 0.230 271 L C 1.568 178.437 176.870 -0.002 0.000 1.162 271 L CA 0.407 55.244 54.840 -0.006 0.000 0.834 271 L CB -0.463 41.592 42.059 -0.006 0.000 0.947 271 L HN 0.351 nan 8.230 nan 0.000 0.452 272 L N -0.229 120.993 121.223 -0.003 0.000 2.607 272 L HA 0.219 4.559 4.340 0.000 0.000 0.228 272 L C 1.114 177.986 176.870 0.004 0.000 1.123 272 L CA 0.084 54.925 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 1.517 110.318 108.800 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 -0.193 44.909 45.100 0.004 0.000 1.003 273 G HN 0.374 nan 8.290 nan 0.000 0.503 274 R N -0.832 119.671 120.500 0.004 0.000 2.670 274 R HA 0.598 4.938 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 1.611 31.915 30.300 0.007 0.000 1.173 274 R HN 0.254 nan 8.270 nan 0.000 0.456 275 I N 4.284 124.861 120.570 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 -1.575 59.732 61.300 0.012 0.000 1.418 275 I CB 0.373 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 0.052 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 32.836 31.700 0.008 0.000 0.901 277 S N 1.369 117.107 115.700 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 -0.153 122.732 122.820 0.108 0.000 2.313 278 A HA 0.508 4.828 4.320 0.000 0.000 0.261 278 A C 0.938 178.626 177.584 0.173 0.000 1.090 278 A CA 0.132 52.235 52.037 0.111 0.000 0.807 278 A CB -0.399 18.659 19.000 0.096 0.000 1.055 278 A HN 1.599 nan 8.150 nan 0.000 0.492 279 V N -0.188 119.802 119.914 0.125 0.000 3.292 279 V HA -0.322 3.798 4.120 0.000 0.000 0.184 279 V C 1.764 177.814 176.094 -0.073 0.000 0.459 279 V CA 1.849 64.210 62.300 0.103 0.000 1.088 279 V CB -2.512 29.462 31.823 0.251 0.000 1.239 279 V HN 2.884 nan 8.190 nan 0.000 1.148 280 G N -2.854 105.908 108.800 -0.062 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 45.253 45.100 -0.153 0.000 0.621 280 G HN 0.837 nan 8.290 nan 0.000 0.519 281 Y N 2.574 122.900 120.300 0.043 0.000 2.546 281 Y HA 0.326 4.876 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 0.499 58.619 58.100 0.033 0.000 1.487 281 Y CB 0.364 38.855 38.460 0.052 0.000 1.365 281 Y HN 0.490 nan 8.280 nan 0.000 0.642 282 Q N 2.974 122.882 119.800 0.181 0.000 2.354 282 Q HA 0.157 4.497 4.340 0.000 0.000 0.244 282 Q C -2.284 173.771 176.000 0.091 0.000 0.969 282 Q CA -1.865 53.989 55.803 0.085 0.000 0.885 282 Q CB 0.927 29.692 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 -4.280 110.297 114.554 0.039 0.000 3.145 284 T HA 0.174 4.525 4.350 0.000 0.000 0.255 284 T C 1.487 176.211 174.700 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 1.340 122.588 121.223 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 2.316 57.175 54.840 0.032 0.000 0.784 285 L CB -0.840 41.224 42.059 0.009 0.000 0.896 285 L HN 0.410 nan 8.230 nan 0.000 0.438 286 A N -0.783 122.075 122.820 0.064 0.000 1.877 286 A HA -0.249 4.071 4.320 0.000 0.000 0.216 286 A C 2.321 179.971 177.584 0.109 0.000 1.186 286 A CA 2.584 54.679 52.037 0.096 0.000 0.620 286 A CB -1.314 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 -2.263 112.341 114.554 0.082 0.000 2.821 287 T HA -0.140 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 1.451 63.598 62.100 0.078 0.000 1.139 287 T CB -0.501 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 0.840 121.305 120.400 0.108 0.000 2.149 288 D HA -0.048 4.592 4.640 0.000 0.000 0.198 288 D C 1.925 178.390 176.300 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 40.529 40.800 0.115 0.000 0.948 288 D HN 0.425 nan 8.370 nan 0.000 0.460 289 M N -0.057 119.676 119.600 0.221 0.000 2.236 289 M HA -0.011 4.469 4.480 0.000 0.000 0.266 289 M C 1.986 178.258 176.300 -0.046 0.000 1.070 289 M CA 1.620 57.013 55.300 0.156 0.000 1.137 289 M CB -0.034 32.659 32.600 0.154 0.000 1.378 289 M HN -0.009 nan 8.290 nan 0.000 0.426 290 G N -0.126 108.700 108.800 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 1.537 46.658 45.100 0.035 0.000 0.779 290 G HN 0.585 nan 8.290 nan 0.000 0.543 291 T N -1.637 112.922 114.554 0.007 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 -0.047 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 -0.146 119.373 119.600 -0.135 0.000 2.369 292 M HA 0.068 4.548 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 0.726 55.872 55.300 -0.257 0.000 1.190 292 M CB -0.006 32.291 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 -0.202 4.138 4.340 0.000 0.000 0.210 293 Q C 1.591 177.459 176.000 -0.220 0.000 0.988 293 Q CA 1.414 56.982 55.803 -0.392 0.000 0.883 293 Q CB -0.481 27.742 28.738 -0.859 0.000 0.911 293 Q HN 0.588 nan 8.270 nan 0.000 0.430 294 E N 0.020 120.135 120.200 -0.143 0.000 2.418 294 E HA -0.089 4.261 4.350 0.000 0.000 0.197 294 E C 1.725 178.294 176.600 -0.051 0.000 1.026 294 E CA 0.376 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 0.007 120.455 120.500 -0.086 0.000 2.156 295 R HA 0.198 4.538 4.340 0.000 0.000 0.207 295 R C 1.111 177.357 176.300 -0.090 0.000 1.040 295 R CA 0.122 56.175 56.100 -0.079 0.000 1.013 295 R CB 0.230 30.473 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 -0.014 176.050 176.117 -0.088 0.000 1.196 296 I CA 0.563 61.790 61.300 -0.122 0.000 1.613 296 I CB -0.135 37.770 38.000 -0.158 0.000 1.501 296 I HN 0.011 nan 8.210 nan 0.000 0.754 297 T N 2.832 117.345 114.554 -0.068 0.000 2.885 297 T HA 0.256 4.606 4.350 0.000 0.000 0.322 297 T C -0.339 174.336 174.700 -0.041 0.000 1.387 297 T CA -0.377 61.695 62.100 -0.048 0.000 1.041 297 T CB 1.660 70.512 68.868 -0.027 0.000 1.287 297 T HN 0.270 nan 8.240 nan 0.000 0.491 298 T N 3.276 117.809 114.554 -0.035 0.000 2.897 298 T HA 0.598 4.949 4.350 0.000 0.000 0.294 298 T C 0.549 175.232 174.700 -0.028 0.000 1.004 298 T CA -0.206 61.876 62.100 -0.030 0.000 1.106 298 T CB 0.856 69.708 68.868 -0.027 0.000 0.949 298 T HN 0.872 nan 8.240 nan 0.000 0.520 299 T N -0.110 114.428 114.554 -0.027 0.000 2.676 299 T HA 0.475 4.825 4.350 0.000 0.000 0.269 299 T C 0.928 175.609 174.700 -0.032 0.000 0.952 299 T CA -0.990 61.090 62.100 -0.032 0.000 1.040 299 T CB 1.311 70.161 68.868 -0.030 0.000 1.352 299 T HN 0.390 nan 8.240 nan 0.000 0.554 300 K N 0.067 120.446 120.400 -0.036 0.000 2.243 300 K HA 0.126 4.446 4.320 0.000 0.000 0.201 300 K C 2.192 178.777 176.600 -0.026 0.000 1.051 300 K CA 0.477 56.745 56.287 -0.033 0.000 0.970 300 K CB 0.007 32.484 32.500 -0.039 0.000 0.755 300 K HN 0.429 nan 8.250 nan 0.000 0.465 301 K N 0.539 120.924 120.400 -0.026 0.000 2.001 301 K HA -0.033 4.287 4.320 0.000 0.000 0.208 301 K C 1.228 177.817 176.600 -0.018 0.000 1.048 301 K CA 1.158 57.431 56.287 -0.024 0.000 0.932 301 K CB 0.076 32.558 32.500 -0.030 0.000 0.715 301 K HN 0.167 nan 8.250 nan 0.000 0.437 302 G N -0.561 108.231 108.800 -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 -1.602 173.297 174.900 -0.001 0.000 1.408 302 G CA -0.458 44.642 45.100 -0.000 0.000 0.852 302 G HN 0.015 nan 8.290 nan 0.000 0.487 303 S N -0.908 114.798 115.700 0.011 0.000 2.521 303 S HA 0.732 5.202 4.470 0.000 0.000 0.295 303 S C -0.789 173.808 174.600 -0.005 0.000 1.098 303 S CA -0.686 57.514 58.200 0.001 0.000 0.999 303 S CB 0.755 63.960 63.200 0.009 0.000 1.034 303 S HN 0.441 nan 8.310 nan 0.000 0.483 304 I N 3.247 123.797 120.570 -0.033 0.000 2.474 304 I HA 0.371 4.541 4.170 0.000 0.000 0.294 304 I C -0.454 175.601 176.117 -0.104 0.000 1.005 304 I CA -0.586 60.675 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 3.505 117.959 114.554 -0.166 0.000 3.060 305 T HA 0.247 4.597 4.350 0.000 0.000 0.367 305 T C -0.189 174.323 174.700 -0.312 0.000 1.229 305 T CA -0.652 61.327 62.100 -0.203 0.000 1.104 305 T CB 0.526 69.276 68.868 -0.198 0.000 1.083 305 T HN 0.600 nan 8.240 nan 0.000 0.524 306 S N 1.924 117.466 115.700 -0.264 0.000 2.499 306 S HA 0.594 5.064 4.470 0.000 0.000 0.279 306 S C 0.024 174.445 174.600 -0.300 0.000 1.219 306 S CA -0.836 57.184 58.200 -0.300 0.000 1.062 306 S CB 1.275 64.345 63.200 -0.216 0.000 0.978 306 S HN 0.385 nan 8.310 nan 0.000 0.489 307 V N 3.865 123.587 119.914 -0.321 0.000 2.326 307 V HA 0.352 4.472 4.120 0.000 0.000 0.281 307 V C -0.351 175.673 176.094 -0.116 0.000 1.015 307 V CA -0.481 61.710 62.300 -0.182 0.000 0.823 307 V CB 0.929 32.767 31.823 0.026 0.000 1.009 307 V HN 0.902 nan 8.190 nan 0.000 0.436 308 Q N 3.101 122.809 119.800 -0.154 0.000 2.322 308 Q HA 0.741 5.081 4.340 0.000 0.000 0.265 308 Q C -0.141 175.770 176.000 -0.148 0.000 0.985 308 Q CA -0.523 55.185 55.803 -0.157 0.000 0.849 308 Q CB 2.567 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 3.571 126.333 122.820 -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 -0.107 0.000 1.121 309 A CA -0.278 51.721 52.037 -0.064 0.000 0.800 309 A CB 0.211 19.223 19.000 0.019 0.000 1.052 309 A HN 0.753 nan 8.150 nan 0.000 0.493 310 I N 2.559 123.017 120.570 -0.186 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 60.683 61.300 -0.229 0.000 1.083 310 I CB 1.312 38.850 38.000 -0.768 0.000 1.223 310 I HN 0.753 nan 8.210 nan 0.000 0.443 311 Y N 7.138 127.396 120.300 -0.069 0.000 2.397 311 Y HA 0.376 4.926 4.550 -0.000 0.000 0.335 311 Y C -0.365 175.355 175.900 -0.300 0.000 1.213 311 Y CA -0.047 57.948 58.100 -0.175 0.000 1.391 311 Y CB 0.963 39.265 38.460 -0.263 0.000 1.293 311 Y HN 0.263 nan 8.280 nan 0.000 0.557 312 V N 8.702 128.038 119.914 -0.962 0.000 2.305 312 V HA 0.278 4.398 4.120 0.000 0.000 0.275 312 V C -2.303 173.202 176.094 -0.981 0.000 1.020 312 V CA -2.084 59.804 62.300 -0.687 0.000 0.811 312 V CB 0.919 32.594 31.823 -0.248 0.000 1.031 312 V HN 0.719 nan 8.190 nan 0.000 0.439 313 P HA 0.062 nan 4.420 nan 0.000 0.262 313 P C 0.771 177.955 177.300 -0.193 0.000 1.182 313 P CA 0.994 63.852 63.100 -0.404 0.000 0.761 313 P CB 0.634 32.312 31.700 -0.036 0.000 0.795 314 A N 3.605 126.369 122.820 -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 1.473 53.485 52.037 -0.041 0.000 0.909 314 A CB -2.525 16.473 19.000 -0.002 0.000 1.012 314 A HN 0.590 nan 8.150 nan 0.000 0.653 315 D N -1.884 118.432 120.400 -0.139 0.000 3.046 315 D HA -0.170 4.470 4.640 0.000 0.000 0.210 315 D C -0.181 176.077 176.300 -0.070 0.000 1.124 315 D CA 1.946 55.883 54.000 -0.106 0.000 0.986 315 D CB -1.140 39.627 40.800 -0.056 0.000 1.118 315 D HN 0.898 nan 8.370 nan 0.000 0.416 316 D N 0.415 120.778 120.400 -0.062 0.000 2.422 316 D HA 0.181 4.821 4.640 0.000 0.000 0.227 316 D C 1.545 177.842 176.300 -0.005 0.000 1.190 316 D CA -0.299 53.686 54.000 -0.025 0.000 0.905 316 D CB 0.180 40.979 40.800 -0.002 0.000 1.034 316 D HN 0.153 nan 8.370 nan 0.000 0.507 317 L N 2.678 123.904 121.223 0.004 0.000 2.447 317 L HA -0.162 4.178 4.340 0.000 0.000 0.225 317 L C 2.281 179.186 176.870 0.057 0.000 1.148 317 L CA 1.402 56.275 54.840 0.054 0.000 0.808 317 L CB -0.297 41.776 42.059 0.024 0.000 0.928 317 L HN 0.472 nan 8.230 nan 0.000 0.448 318 T N -5.145 109.420 114.554 0.018 0.000 3.100 318 T HA -0.051 4.299 4.350 0.000 0.000 0.253 318 T C 0.811 175.544 174.700 0.054 0.000 1.118 318 T CA -0.430 61.679 62.100 0.014 0.000 1.058 318 T CB -0.291 68.571 68.868 -0.009 0.000 0.953 318 T HN 0.210 nan 8.240 nan 0.000 0.515 319 D N 3.167 123.612 120.400 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 -1.081 52.988 54.000 0.113 0.000 0.859 319 D CB 1.290 42.165 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 0.786 177.972 177.300 -0.189 0.000 1.153 320 P CA 2.027 65.061 63.100 -0.110 0.000 0.865 320 P CB 0.116 31.703 31.700 -0.188 0.000 0.788 321 A N -0.435 122.220 122.820 -0.275 0.000 1.832 321 A HA -0.044 4.276 4.320 0.000 0.000 0.214 321 A C -0.069 177.598 177.584 0.139 0.000 1.204 321 A CA 1.821 53.819 52.037 -0.066 0.000 0.606 321 A CB -2.062 17.003 19.000 0.107 0.000 0.849 321 A HN 0.193 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 0.479 0.000 1.157 322 P CA 2.245 65.556 63.100 0.350 0.000 0.868 322 P CB -0.282 31.627 31.700 0.347 0.000 0.788 323 A N -0.359 122.688 122.820 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 0.219 nan 8.150 nan 0.000 0.447 324 T N -0.335 114.345 114.554 0.211 0.000 2.962 324 T HA -0.057 4.293 4.350 0.000 0.000 0.270 324 T C 1.698 176.543 174.700 0.242 0.000 1.088 324 T CA 1.705 63.910 62.100 0.174 0.000 1.127 324 T CB -0.335 68.600 68.868 0.112 0.000 0.883 324 T HN 0.606 nan 8.240 nan 0.000 0.493 325 T N 1.212 115.942 114.554 0.293 0.000 3.043 325 T HA 0.146 4.496 4.350 0.000 0.000 0.263 325 T C 1.439 176.302 174.700 0.272 0.000 1.094 325 T CA 0.195 62.463 62.100 0.281 0.000 1.127 325 T CB -0.339 68.596 68.868 0.111 0.000 0.905 325 T HN 0.311 nan 8.240 nan 0.000 0.490 326 F N 2.397 122.516 119.950 0.283 0.000 2.091 326 F HA -0.138 4.389 4.527 0.000 0.000 0.299 326 F C 2.706 178.546 175.800 0.067 0.000 1.103 326 F CA 1.153 59.271 58.000 0.197 0.000 1.228 326 F CB -0.708 38.306 39.000 0.024 0.000 0.984 326 F HN 0.160 nan 8.300 nan 0.000 0.477 327 A N -1.230 121.667 122.820 0.129 0.000 2.076 327 A HA -0.201 4.119 4.320 0.000 0.000 0.220 327 A C 1.609 179.089 177.584 -0.174 0.000 1.160 327 A CA 1.518 53.512 52.037 -0.072 0.000 0.653 327 A CB -0.951 17.919 19.000 -0.217 0.000 0.801 327 A HN 0.489 nan 8.150 nan 0.000 0.455 328 H N -1.151 117.971 119.070 0.087 0.000 2.533 328 H HA 0.335 4.891 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 0.256 56.326 56.048 0.037 0.000 1.149 328 H CB -0.134 29.631 29.762 0.005 0.000 1.375 328 H HN 0.363 nan 8.280 nan 0.000 0.582 329 L N 0.001 121.295 121.223 0.118 0.000 2.319 329 L HA 0.251 4.591 4.340 0.000 0.000 0.267 329 L C 0.836 177.747 176.870 0.068 0.000 1.011 329 L CA -0.616 54.272 54.840 0.079 0.000 0.818 329 L CB 1.929 44.045 42.059 0.095 0.000 1.316 329 L HN -0.133 nan 8.230 nan 0.000 0.432 330 D N 0.638 121.061 120.400 0.039 0.000 2.388 330 D HA 0.240 4.880 4.640 0.000 0.000 0.208 330 D C 0.149 176.485 176.300 0.059 0.000 1.035 330 D CA 0.498 54.524 54.000 0.044 0.000 0.875 330 D CB 1.271 42.087 40.800 0.027 0.000 0.984 330 D HN 0.515 nan 8.370 nan 0.000 0.508 331 A N 0.605 123.455 122.820 0.050 0.000 2.486 331 A HA 0.589 4.909 4.320 0.000 0.000 0.300 331 A C -0.574 177.069 177.584 0.098 0.000 1.048 331 A CA -0.560 51.531 52.037 0.090 0.000 0.696 331 A CB 1.822 20.893 19.000 0.119 0.000 1.278 331 A HN -0.028 nan 8.150 nan 0.000 0.405 332 T N -1.058 113.597 114.554 0.168 0.000 2.921 332 T HA 0.695 5.045 4.350 0.000 0.000 0.297 332 T C -0.720 174.126 174.700 0.243 0.000 1.013 332 T CA -0.427 61.807 62.100 0.223 0.000 0.990 332 T CB 1.540 70.580 68.868 0.287 0.000 1.023 332 T HN 0.541 nan 8.240 nan 0.000 0.447 333 T N 3.298 118.013 114.554 0.270 0.000 2.821 333 T HA 0.473 4.823 4.350 0.000 0.000 0.307 333 T C -0.131 174.722 174.700 0.254 0.000 1.034 333 T CA -0.485 61.770 62.100 0.259 0.000 0.953 333 T CB 0.692 69.743 68.868 0.306 0.000 0.968 333 T HN 0.662 nan 8.240 nan 0.000 0.462 334 V N 5.679 125.711 119.914 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 -0.756 61.651 62.300 0.177 0.000 0.906 334 V CB 0.619 32.501 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 0.359 177.265 176.870 0.060 0.000 1.084 335 L CA 0.572 55.471 54.840 0.098 0.000 0.802 335 L CB 1.726 43.855 42.059 0.117 0.000 1.175 335 L HN 0.724 nan 8.230 nan 0.000 0.448 336 S N 1.766 117.481 115.700 0.025 0.000 2.571 336 S HA 0.417 4.887 4.470 0.000 0.000 0.284 336 S C 0.698 175.287 174.600 -0.018 0.000 1.128 336 S CA -0.780 57.422 58.200 0.003 0.000 0.970 336 S CB 1.201 64.396 63.200 -0.008 0.000 1.039 336 S HN 0.711 nan 8.310 nan 0.000 0.485 337 R N 3.135 123.628 120.500 -0.012 0.000 2.189 337 R HA 0.002 4.342 4.340 0.000 0.000 0.223 337 R C 1.775 178.054 176.300 -0.035 0.000 1.092 337 R CA 1.628 57.719 56.100 -0.015 0.000 0.989 337 R CB -0.589 29.710 30.300 -0.001 0.000 0.876 337 R HN 0.745 nan 8.270 nan 0.000 0.457 338 A N 0.853 123.652 122.820 -0.035 0.000 1.968 338 A HA -0.032 4.288 4.320 0.000 0.000 0.217 338 A C 2.012 179.562 177.584 -0.057 0.000 1.169 338 A CA 0.918 52.931 52.037 -0.040 0.000 0.638 338 A CB -0.211 18.769 19.000 -0.034 0.000 0.812 338 A HN 0.338 nan 8.150 nan 0.000 0.446 339 I N -0.543 119.985 120.570 -0.070 0.000 2.235 339 I HA -0.160 4.011 4.170 0.000 0.000 0.241 339 I C 2.991 178.998 176.117 -0.185 0.000 1.085 339 I CA 0.842 62.083 61.300 -0.097 0.000 1.378 339 I CB -0.481 37.470 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 2.345 54.115 52.037 -0.444 0.000 0.639 340 A CB -0.896 17.976 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 1.553 178.119 176.600 -0.058 0.000 0.993 341 E CA 1.025 57.392 56.400 -0.054 0.000 0.819 341 E CB -0.191 29.490 29.700 -0.033 0.000 0.745 341 E HN 0.690 nan 8.360 nan 0.000 0.477 342 L N -0.817 120.352 121.223 -0.090 0.000 2.554 342 L HA 0.140 4.480 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 55.313 54.840 -0.074 0.000 0.863 342 L CB 0.090 42.105 42.059 -0.073 0.000 0.985 342 L HN 0.401 nan 8.230 nan 0.000 0.451 343 G N 0.687 109.433 108.800 -0.090 0.000 2.131 343 G HA2 -0.219 3.741 3.960 0.000 0.000 0.223 343 G HA3 -0.219 3.741 3.960 0.000 0.000 0.223 343 G C 0.168 175.092 174.900 0.040 0.000 0.990 343 G CA -0.520 44.602 45.100 0.036 0.000 0.671 343 G HN 0.177 nan 8.290 nan 0.000 0.521 344 I N 1.319 121.780 120.570 -0.182 0.000 2.287 344 I HA 0.405 4.575 4.170 0.000 0.000 0.290 344 I C -0.204 175.711 176.117 -0.336 0.000 1.069 344 I CA -0.471 60.776 61.300 -0.090 0.000 1.237 344 I CB -0.051 37.916 38.000 -0.055 0.000 1.418 344 I HN 0.043 nan 8.210 nan 0.000 0.481 345 Y N 7.197 127.461 120.300 -0.060 0.000 2.429 345 Y HA 0.433 4.983 4.550 0.000 0.000 0.342 345 Y C -2.006 173.695 175.900 -0.333 0.000 1.004 345 Y CA -2.764 55.225 58.100 -0.185 0.000 1.075 345 Y CB 1.491 39.821 38.460 -0.217 0.000 1.214 345 Y HN 0.389 nan 8.280 nan 0.000 0.455 346 P HA 0.073 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 -0.122 62.923 63.100 -0.090 0.000 0.776 346 P CB 0.890 32.588 31.700 -0.004 0.000 0.881 347 A N 3.811 126.624 122.820 -0.012 0.000 2.810 347 A HA 0.179 4.500 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 51.773 52.037 -0.089 0.000 1.294 347 A CB -1.222 17.688 19.000 -0.150 0.000 0.976 347 A HN 0.385 nan 8.150 nan 0.000 0.631 348 V N 0.819 120.752 119.914 0.031 0.000 2.715 348 V HA 0.041 4.161 4.120 0.000 0.000 0.299 348 V C 0.419 176.529 176.094 0.027 0.000 1.054 348 V CA -0.289 62.045 62.300 0.057 0.000 1.077 348 V CB 1.226 33.097 31.823 0.080 0.000 0.972 348 V HN 0.592 nan 8.190 nan 0.000 0.484 349 D N 6.565 126.984 120.400 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 1.740 42.547 40.800 0.011 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 0.995 178.279 177.300 -0.027 0.000 1.145 350 P CA 0.811 63.898 63.100 -0.022 0.000 0.795 350 P CB 0.334 32.011 31.700 -0.038 0.000 0.775 351 L N -1.376 119.834 121.223 -0.021 0.000 2.769 351 L HA 0.303 4.643 4.340 0.000 0.000 0.240 351 L C 1.087 177.941 176.870 -0.028 0.000 1.163 351 L CA 0.292 55.115 54.840 -0.028 0.000 0.962 351 L CB -0.140 41.902 42.059 -0.029 0.000 1.258 351 L HN -0.169 nan 8.230 nan 0.000 0.513 352 D N -1.014 119.377 120.400 -0.014 0.000 2.562 352 D HA 0.112 4.752 4.640 0.000 0.000 0.246 352 D C -0.060 176.251 176.300 0.019 0.000 1.347 352 D CA 0.193 54.183 54.000 -0.017 0.000 0.800 352 D CB 0.806 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 -0.140 174.498 174.600 0.064 0.000 1.119 353 S CA -0.520 57.724 58.200 0.073 0.000 1.085 353 S CB 1.742 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 -0.830 113.781 114.554 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 -0.821 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 -0.724 115.024 115.700 0.080 0.000 2.540 355 S HA 0.439 4.909 4.470 0.000 0.000 0.275 355 S C 0.605 175.245 174.600 0.067 0.000 1.123 355 S CA -0.829 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 3.009 123.548 120.500 0.066 0.000 2.280 356 R HA 0.107 4.447 4.340 0.000 0.000 0.207 356 R C 1.412 177.741 176.300 0.048 0.000 1.043 356 R CA 1.496 57.628 56.100 0.053 0.000 1.006 356 R CB -0.417 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 -2.428 118.170 120.570 0.047 0.000 3.875 357 I HA 0.188 4.358 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 -0.241 61.080 61.300 0.034 0.000 1.129 357 I CB 0.275 38.295 38.000 0.032 0.000 1.008 357 I HN -0.056 nan 8.210 nan 0.000 0.413 358 M N 3.260 122.882 119.600 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 0.673 56.005 55.300 0.053 0.000 1.647 358 M CB -1.326 31.273 32.600 -0.002 0.000 1.126 358 M HN 0.247 nan 8.290 nan 0.000 0.557 359 D N 2.445 122.939 120.400 0.158 0.000 2.787 359 D HA 0.391 5.031 4.640 0.000 0.000 0.246 359 D C -2.045 174.239 176.300 -0.027 0.000 1.150 359 D CA -1.715 52.322 54.000 0.063 0.000 0.864 359 D CB 2.637 43.447 40.800 0.016 0.000 1.481 359 D HN 0.048 nan 8.370 nan 0.000 0.509 360 P HA -0.124 nan 4.420 nan 0.000 0.216 360 P C 0.909 178.152 177.300 -0.094 0.000 1.150 360 P CA 1.005 63.961 63.100 -0.240 0.000 0.843 360 P CB 0.314 31.753 31.700 -0.434 0.000 0.787 361 N N -0.835 117.809 118.700 -0.093 0.000 2.520 361 N HA -0.017 4.723 4.740 0.000 0.000 0.185 361 N C 1.497 177.000 175.510 -0.013 0.000 1.068 361 N CA 0.621 53.644 53.050 -0.044 0.000 0.911 361 N CB 0.003 38.465 38.487 -0.042 0.000 0.961 361 N HN 0.243 nan 8.380 nan 0.000 0.446 362 I N -0.677 119.892 120.570 -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 0.389 61.698 61.300 0.016 0.000 1.370 362 I CB 0.322 38.331 38.000 0.015 0.000 1.328 362 I HN -0.087 nan 8.210 nan 0.000 0.453 363 V N -1.286 118.649 119.914 0.034 0.000 3.644 363 V HA 0.600 4.720 4.120 0.000 0.000 0.267 363 V C 0.843 177.026 176.094 0.147 0.000 1.277 363 V CA 0.299 62.641 62.300 0.071 0.000 1.096 363 V CB -0.478 31.265 31.823 -0.132 0.000 0.828 363 V HN 0.455 nan 8.190 nan 0.000 0.446 364 G N 0.904 109.766 108.800 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 0.290 175.279 174.900 0.150 0.000 1.246 364 G CA 0.055 45.220 45.100 0.109 0.000 0.795 364 G HN 1.059 nan 8.290 nan 0.000 0.627 365 S N -0.468 115.296 115.700 0.106 0.000 2.428 365 S HA -0.033 4.437 4.470 0.000 0.000 0.230 365 S C 1.699 176.407 174.600 0.180 0.000 1.014 365 S CA 1.641 59.918 58.200 0.128 0.000 0.957 365 S CB 0.060 63.298 63.200 0.063 0.000 0.784 365 S HN 0.842 nan 8.310 nan 0.000 0.499 366 E N 1.078 121.371 120.200 0.156 0.000 2.072 366 E HA -0.209 4.141 4.350 0.000 0.000 0.190 366 E C 1.989 178.707 176.600 0.197 0.000 0.982 366 E CA 0.865 57.352 56.400 0.145 0.000 0.803 366 E CB -0.234 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 0.107 0.000 1.082 367 H CA 1.765 57.875 56.048 0.104 0.000 1.308 367 H CB -0.063 29.762 29.762 0.104 0.000 1.375 367 H HN 0.231 nan 8.280 nan 0.000 0.495 368 Y N 1.397 121.807 120.300 0.184 0.000 2.181 368 Y HA -0.203 4.347 4.550 -0.000 0.000 0.288 368 Y C 1.725 177.666 175.900 0.068 0.000 1.146 368 Y CA 1.903 60.044 58.100 0.068 0.000 1.164 368 Y CB -0.108 38.365 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 1.126 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 -0.184 3.936 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 1.686 64.028 62.300 0.071 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 1.959 53.930 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 -0.468 119.887 120.500 -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 1.240 57.221 56.100 -0.199 0.000 0.982 372 R CB -1.530 28.623 30.300 -0.245 0.000 0.868 372 R HN 0.579 nan 8.270 nan 0.000 0.453 373 G N 0.285 109.053 108.800 -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 1.552 176.437 174.900 -0.025 0.000 1.150 373 G CA 0.479 45.571 45.100 -0.014 0.000 0.776 373 G HN 0.174 nan 8.290 nan 0.000 0.542 374 V N 0.370 120.249 119.914 -0.060 0.000 2.427 374 V HA -0.182 3.938 4.120 0.000 0.000 0.248 374 V C 2.871 178.917 176.094 -0.080 0.000 1.051 374 V CA 1.972 64.218 62.300 -0.090 0.000 1.048 374 V CB -0.349 31.337 31.823 -0.229 0.000 0.666 374 V HN 0.416 nan 8.190 nan 0.000 0.456 375 Q N -0.270 119.477 119.800 -0.087 0.000 2.083 375 Q HA -0.222 4.118 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 57.329 55.803 -0.067 0.000 0.838 375 Q CB -0.176 28.512 28.738 -0.084 0.000 0.900 375 Q HN 0.575 nan 8.270 nan 0.000 0.436 376 K N 1.172 121.555 120.400 -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 57.546 56.287 -0.010 0.000 0.929 376 K CB -0.221 32.276 32.500 -0.004 0.000 0.714 376 K HN 0.158 nan 8.250 nan 0.000 0.440 377 I N 0.970 121.545 120.570 0.009 0.000 2.264 377 I HA -0.279 3.891 4.170 0.000 0.000 0.248 377 I C 1.822 177.975 176.117 0.059 0.000 1.111 377 I CA 1.133 62.448 61.300 0.025 0.000 1.382 377 I CB 0.093 38.098 38.000 0.008 0.000 1.060 377 I HN 0.251 nan 8.210 nan 0.000 0.418 378 L N -0.204 121.048 121.223 0.049 0.000 2.109 378 L HA -0.195 4.145 4.340 0.000 0.000 0.207 378 L C 2.532 179.459 176.870 0.094 0.000 1.086 378 L CA 0.852 55.751 54.840 0.097 0.000 0.760 378 L CB -0.628 41.459 42.059 0.047 0.000 0.910 378 L HN 0.289 nan 8.230 nan 0.000 0.437 379 Q N 0.544 120.367 119.800 0.039 0.000 2.016 379 Q HA -0.203 4.137 4.340 0.000 0.000 0.200 379 Q C 1.769 177.783 176.000 0.022 0.000 0.978 379 Q CA 1.816 57.627 55.803 0.013 0.000 0.833 379 Q CB -0.199 28.536 28.738 -0.004 0.000 0.895 379 Q HN 0.338 nan 8.270 nan 0.000 0.427 380 D N -0.834 119.591 120.400 0.041 0.000 2.133 380 D HA -0.203 4.437 4.640 0.000 0.000 0.195 380 D C 1.653 178.006 176.300 0.088 0.000 0.997 380 D CA 1.433 55.463 54.000 0.050 0.000 0.840 380 D CB -0.414 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 1.407 121.696 120.300 -0.019 0.000 2.263 381 Y HA -0.059 4.491 4.550 0.000 0.000 0.292 381 Y C 2.186 178.073 175.900 -0.021 0.000 1.130 381 Y CA 1.209 59.297 58.100 -0.020 0.000 1.179 381 Y CB -0.133 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 -0.257 120.042 120.400 -0.168 0.000 2.009 382 K HA -0.173 4.147 4.320 0.000 0.000 0.210 382 K C 2.298 178.772 176.600 -0.209 0.000 1.049 382 K CA 1.894 58.026 56.287 -0.258 0.000 0.929 382 K CB -0.274 32.154 32.500 -0.120 0.000 0.714 382 K HN 0.278 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 -0.162 4.309 4.470 0.000 0.000 0.225 383 S C 1.849 176.394 174.600 -0.091 0.000 1.039 383 S CA 1.385 59.536 58.200 -0.082 0.000 1.033 383 S CB -0.268 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 1.204 122.375 121.223 -0.086 0.000 2.156 384 L HA -0.129 4.211 4.340 0.000 0.000 0.208 384 L C 2.638 179.439 176.870 -0.115 0.000 1.095 384 L CA 0.852 55.655 54.840 -0.062 0.000 0.770 384 L CB -0.568 41.498 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 2.047 385 Q HA -0.300 4.040 4.340 0.000 0.000 0.211 385 Q C 1.743 177.660 176.000 -0.138 0.000 1.005 385 Q CA 2.224 57.860 55.803 -0.278 0.000 0.866 385 Q CB -0.276 28.221 28.738 -0.401 0.000 0.938 385 Q HN 0.486 nan 8.270 nan 0.000 0.414 386 D N -0.200 120.129 120.400 -0.119 0.000 2.218 386 D HA -0.089 4.551 4.640 0.000 0.000 0.204 386 D C 1.759 178.028 176.300 -0.052 0.000 0.976 386 D CA 0.952 54.906 54.000 -0.076 0.000 0.853 386 D CB -0.017 40.741 40.800 -0.069 0.000 0.939 386 D HN 0.322 nan 8.370 nan 0.000 0.481 387 I N 0.948 121.489 120.570 -0.049 0.000 2.429 387 I HA -0.075 4.095 4.170 0.000 0.000 0.247 387 I C 2.445 178.551 176.117 -0.019 0.000 1.099 387 I CA 0.356 61.639 61.300 -0.030 0.000 1.422 387 I CB -0.153 37.832 38.000 -0.026 0.000 1.112 387 I HN -0.063 nan 8.210 nan 0.000 0.430 388 I N 0.230 120.791 120.570 -0.015 0.000 2.916 388 I HA -0.096 4.074 4.170 0.000 0.000 0.267 388 I C 2.432 178.548 176.117 -0.002 0.000 1.263 388 I CA 1.067 62.368 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 2.141 124.952 122.820 -0.014 0.000 1.865 389 A HA -0.143 4.177 4.320 0.000 0.000 0.217 389 A C 2.117 179.696 177.584 -0.010 0.000 1.191 389 A CA 2.294 54.322 52.037 -0.015 0.000 0.623 389 A CB -0.684 18.300 19.000 -0.026 0.000 0.826 389 A HN 0.550 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 -0.251 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 0.945 122.165 121.223 -0.005 0.000 2.622 391 L HA 0.152 4.492 4.340 0.000 0.000 0.233 391 L C 1.132 178.002 176.870 0.001 0.000 1.156 391 L CA 0.213 55.051 54.840 -0.002 0.000 0.866 391 L CB -1.618 40.439 42.059 -0.003 0.000 0.980 391 L HN 0.516 nan 8.230 nan 0.000 0.448 392 G N 0.108 108.909 108.800 0.003 0.000 2.804 392 G HA2 -0.366 3.594 3.960 0.000 0.000 0.230 392 G HA3 -0.366 3.594 3.960 0.000 0.000 0.230 392 G C 0.127 175.034 174.900 0.011 0.000 1.386 392 G CA 0.247 45.351 45.100 0.007 0.000 0.875 392 G HN 0.146 nan 8.290 nan 0.000 0.557 393 M N -0.422 119.187 119.600 0.014 0.000 2.414 393 M HA 0.159 4.640 4.480 0.000 0.000 0.251 393 M C 1.816 178.124 176.300 0.014 0.000 1.116 393 M CA 0.920 56.230 55.300 0.017 0.000 1.056 393 M CB 0.053 32.666 32.600 0.022 0.000 1.388 393 M HN 0.579 nan 8.290 nan 0.000 0.487 394 D N 0.958 121.364 120.400 0.011 0.000 2.106 394 D HA -0.206 4.434 4.640 0.000 0.000 0.191 394 D C 1.646 177.951 176.300 0.008 0.000 0.997 394 D CA 1.300 55.305 54.000 0.009 0.000 0.834 394 D CB -0.293 40.511 40.800 0.007 0.000 0.956 394 D HN 0.255 nan 8.370 nan 0.000 0.448 395 E N 0.171 120.376 120.200 0.007 0.000 2.396 395 E HA -0.038 4.312 4.350 0.000 0.000 0.200 395 E C 0.798 177.403 176.600 0.008 0.000 1.023 395 E CA -0.030 56.374 56.400 0.006 0.000 0.857 395 E CB -0.216 29.487 29.700 0.005 0.000 0.775 395 E HN 0.378 nan 8.360 nan 0.000 0.525 396 L N 1.917 123.147 121.223 0.010 0.000 2.456 396 L HA -0.005 4.335 4.340 0.000 0.000 0.272 396 L C 0.383 177.259 176.870 0.011 0.000 1.189 396 L CA -0.179 54.668 54.840 0.012 0.000 0.846 396 L CB 0.548 42.617 42.059 0.018 0.000 1.111 396 L HN -0.007 nan 8.230 nan 0.000 0.475 397 S N 2.179 117.885 115.700 0.011 0.000 2.533 397 S HA 0.047 4.517 4.470 0.000 0.000 0.282 397 S C 0.890 175.496 174.600 0.009 0.000 1.304 397 S CA -0.906 57.299 58.200 0.009 0.000 1.063 397 S CB 1.099 64.305 63.200 0.009 0.000 0.881 397 S HN 0.537 nan 8.310 nan 0.000 0.493 398 E N 2.189 122.394 120.200 0.008 0.000 2.233 398 E HA -0.220 4.130 4.350 0.000 0.000 0.199 398 E C 1.545 178.149 176.600 0.007 0.000 1.004 398 E CA 1.188 57.593 56.400 0.007 0.000 0.819 398 E CB -0.236 29.468 29.700 0.006 0.000 0.738 398 E HN 0.756 nan 8.360 nan 0.000 0.478 399 E N 0.528 120.732 120.200 0.007 0.000 2.110 399 E HA -0.166 4.184 4.350 0.000 0.000 0.193 399 E C 1.281 177.886 176.600 0.009 0.000 0.988 399 E CA 1.162 57.566 56.400 0.007 0.000 0.804 399 E CB -0.107 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 -0.190 120.218 120.400 0.013 0.000 2.333 400 D HA -0.048 4.592 4.640 0.000 0.000 0.208 400 D C 1.342 177.655 176.300 0.021 0.000 0.984 400 D CA 0.556 54.568 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 0.114 4.434 4.320 0.000 0.000 0.194 401 K C 1.214 177.810 176.600 -0.006 0.000 1.023 401 K CA 0.077 56.370 56.287 0.010 0.000 1.094 401 K CB 0.564 33.071 32.500 0.011 0.000 0.841 401 K HN 0.107 nan 8.250 nan 0.000 0.523 402 L N 2.061 123.279 121.223 -0.008 0.000 2.298 402 L HA -0.010 4.330 4.340 0.000 0.000 0.209 402 L C 2.365 179.213 176.870 -0.036 0.000 1.084 402 L CA 1.422 56.251 54.840 -0.020 0.000 0.816 402 L CB -0.038 42.015 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 1.750 176.408 174.700 -0.070 0.000 1.076 403 T CA 1.241 63.325 62.100 -0.027 0.000 1.135 403 T CB -0.575 68.298 68.868 0.008 0.000 0.890 403 T HN 0.070 nan 8.240 nan 0.000 0.480 404 V N 1.466 121.348 119.914 -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 1.815 64.036 62.300 -0.132 0.000 1.035 404 V CB -1.082 30.740 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 -0.200 0.000 1.036 405 S CA 1.828 59.940 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 2.482 178.667 176.300 -0.193 0.000 1.146 406 R CA 1.382 57.380 56.100 -0.170 0.000 0.962 406 R CB -0.665 29.578 30.300 -0.096 0.000 0.863 406 R HN 0.442 nan 8.270 nan 0.000 0.442 407 A N 1.632 124.316 122.820 -0.227 0.000 1.858 407 A HA -0.188 4.132 4.320 0.000 0.000 0.216 407 A C 2.146 179.534 177.584 -0.326 0.000 1.190 407 A CA 1.368 53.243 52.037 -0.269 0.000 0.617 407 A CB -0.444 18.313 19.000 -0.405 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 -0.137 4.203 4.340 0.000 0.000 0.238 408 R C 2.073 178.254 176.300 -0.199 0.000 1.134 408 R CA 1.617 57.525 56.100 -0.321 0.000 0.975 408 R CB -0.312 29.816 30.300 -0.285 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 -0.274 0.000 2.076 409 K HA 0.021 4.342 4.320 0.000 0.000 0.204 409 K C 2.134 178.585 176.600 -0.247 0.000 1.051 409 K CA 0.899 56.924 56.287 -0.437 0.000 0.949 409 K CB -0.017 31.926 32.500 -0.928 0.000 0.726 409 K HN 0.117 nan 8.250 nan 0.000 0.443 410 I N 1.540 122.051 120.570 -0.100 0.000 2.226 410 I HA -0.304 3.866 4.170 0.000 0.000 0.245 410 I C 2.629 178.892 176.117 0.243 0.000 1.100 410 I CA 1.371 62.800 61.300 0.215 0.000 1.374 410 I CB -0.346 37.762 38.000 0.180 0.000 1.057 410 I HN 0.306 nan 8.210 nan 0.000 0.413 411 Q N 0.605 120.456 119.800 0.086 0.000 2.152 411 Q HA -0.233 4.107 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 1.734 57.586 55.803 0.081 0.000 0.863 411 Q CB 0.097 28.851 28.738 0.027 0.000 0.904 411 Q HN 0.452 nan 8.270 nan 0.000 0.422 412 R N -1.212 119.383 120.500 0.157 0.000 2.075 412 R HA -0.035 4.305 4.340 0.000 0.000 0.220 412 R C 1.982 178.460 176.300 0.297 0.000 1.118 412 R CA 0.783 57.033 56.100 0.249 0.000 0.986 412 R CB -0.323 30.136 30.300 0.265 0.000 0.884 412 R HN 0.193 nan 8.270 nan 0.000 0.439 413 F N 1.719 121.768 119.950 0.166 0.000 2.373 413 F HA -0.100 4.427 4.527 0.000 0.000 0.300 413 F C 1.577 177.519 175.800 0.237 0.000 1.080 413 F CA 1.092 59.166 58.000 0.124 0.000 1.417 413 F CB -0.017 38.927 39.000 -0.093 0.000 1.070 413 F HN -0.045 nan 8.300 nan 0.000 0.546 414 L N -0.735 120.655 121.223 0.278 0.000 2.418 414 L HA 0.006 4.346 4.340 0.000 0.000 0.218 414 L C 1.367 178.252 176.870 0.026 0.000 1.125 414 L CA 0.167 55.120 54.840 0.187 0.000 0.835 414 L CB -0.569 41.584 42.059 0.156 0.000 0.953 414 L HN 0.032 nan 8.230 nan 0.000 0.454 415 S N -0.454 115.255 115.700 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 64.976 63.200 -0.022 0.000 0.950 415 S HN 0.243 nan 8.310 nan 0.000 0.561 416 Q N 0.092 119.778 119.800 -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 2.229 30.942 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 -0.901 176.492 177.300 0.156 0.000 1.300 417 P CA -0.045 63.021 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 -0.745 57.268 58.000 0.021 0.000 1.183 418 F CB 0.588 39.616 39.000 0.047 0.000 1.207 418 F HN 0.378 nan 8.300 nan 0.000 0.555 419 Q N 0.714 120.613 119.800 0.165 0.000 2.472 419 Q HA 0.046 4.386 4.340 0.000 0.000 0.208 419 Q C 0.521 176.550 176.000 0.047 0.000 0.958 419 Q CA 0.642 56.486 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 -0.176 119.791 119.914 0.089 0.000 3.578 420 V HA 0.317 4.437 4.120 0.000 0.000 0.290 420 V C 0.530 176.682 176.094 0.097 0.000 1.376 420 V CA 0.744 63.083 62.300 0.066 0.000 1.083 420 V CB 0.997 32.860 31.823 0.066 0.000 0.911 420 V HN 0.326 nan 8.190 nan 0.000 0.433 421 A N -0.788 122.113 122.820 0.135 0.000 2.594 421 A HA 0.368 4.688 4.320 0.000 0.000 0.292 421 A C 1.221 178.796 177.584 -0.015 0.000 1.026 421 A CA -0.189 51.939 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 1.484 57.851 56.400 -0.056 0.000 0.814 422 E CB -0.147 29.527 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 -0.201 3.919 4.120 0.000 0.000 0.260 423 V C 1.490 177.347 176.094 -0.394 0.000 1.099 423 V CA 1.365 63.405 62.300 -0.434 0.000 1.122 423 V CB -0.717 30.714 31.823 -0.654 0.000 0.708 423 V HN 0.114 nan 8.190 nan 0.000 0.490 424 F N 1.514 121.455 119.950 -0.015 0.000 2.419 424 F HA 0.102 4.629 4.527 0.000 0.000 0.283 424 F C 2.678 178.471 175.800 -0.012 0.000 1.044 424 F CA 1.122 59.098 58.000 -0.041 0.000 1.376 424 F CB -1.333 37.596 39.000 -0.120 0.000 1.131 424 F HN 0.213 nan 8.300 nan 0.000 0.585 425 T N -3.005 111.657 114.554 0.179 0.000 3.067 425 T HA 0.316 4.666 4.350 0.000 0.000 0.257 425 T C 1.763 176.628 174.700 0.276 0.000 1.105 425 T CA 0.630 62.852 62.100 0.204 0.000 1.104 425 T CB -0.363 68.592 68.868 0.146 0.000 0.925 425 T HN 0.493 nan 8.240 nan 0.000 0.498 426 G N 1.247 110.119 108.800 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 -0.277 174.548 174.900 -0.126 0.000 1.025 426 G CA 0.315 45.413 45.100 -0.003 0.000 0.769 426 G HN 0.828 nan 8.290 nan 0.000 0.507 427 H N -1.969 117.092 119.070 -0.016 0.000 2.806 427 H HA 0.606 5.162 4.556 0.000 0.000 0.367 427 H C -0.055 175.264 175.328 -0.016 0.000 1.136 427 H CA -0.931 55.104 56.048 -0.021 0.000 1.178 427 H CB 1.502 31.241 29.762 -0.038 0.000 1.718 427 H HN 0.204 nan 8.280 nan 0.000 0.540 428 L N 1.824 123.107 121.223 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 0.377 55.251 54.840 0.056 0.000 0.858 428 L CB 0.423 42.499 42.059 0.028 0.000 1.120 428 L HN 0.881 nan 8.230 nan 0.000 0.474 429 G N 4.180 113.018 108.800 0.062 0.000 2.398 429 G HA2 0.232 4.192 3.960 0.000 0.000 0.246 429 G HA3 0.232 4.192 3.960 0.000 0.000 0.246 429 G C -0.483 174.453 174.900 0.059 0.000 1.289 429 G CA -0.503 44.646 45.100 0.081 0.000 0.869 429 G HN 0.442 nan 8.290 nan 0.000 0.543 430 K N 1.079 121.520 120.400 0.067 0.000 2.270 430 K HA 0.411 4.731 4.320 0.000 0.000 0.255 430 K C -0.964 175.662 176.600 0.043 0.000 0.936 430 K CA -0.996 55.316 56.287 0.040 0.000 0.809 430 K CB 2.387 34.900 32.500 0.021 0.000 1.131 430 K HN 0.370 nan 8.250 nan 0.000 0.427 431 L N 2.454 123.690 121.223 0.021 0.000 2.319 431 L HA 0.463 4.803 4.340 0.000 0.000 0.281 431 L C -1.155 175.720 176.870 0.008 0.000 1.005 431 L CA -0.700 54.146 54.840 0.010 0.000 0.828 431 L CB 1.515 43.571 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 1.526 33.346 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 0.714 178.023 177.300 0.015 0.000 1.228 433 P CA -0.400 62.709 63.100 0.015 0.000 0.786 433 P CB 1.173 32.883 31.700 0.017 0.000 0.927 434 L N 3.537 124.765 121.223 0.008 0.000 2.089 434 L HA -0.220 4.120 4.340 0.000 0.000 0.213 434 L C 2.001 178.857 176.870 -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 -0.069 4.251 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 0.779 57.070 56.287 0.008 0.000 0.960 435 K CB -0.013 32.497 32.500 0.016 0.000 0.743 435 K HN 0.272 nan 8.250 nan 0.000 0.458 436 E N 0.397 120.621 120.200 0.041 0.000 2.150 436 E HA -0.089 4.261 4.350 0.000 0.000 0.193 436 E C 1.876 178.539 176.600 0.104 0.000 0.985 436 E CA 1.079 57.517 56.400 0.063 0.000 0.814 436 E CB -0.216 29.516 29.700 0.054 0.000 0.752 436 E HN 0.204 nan 8.360 nan 0.000 0.466 437 T N 1.629 116.242 114.554 0.099 0.000 2.639 437 T HA -0.044 4.306 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 1.014 63.221 62.100 0.178 0.000 1.158 437 T CB -0.316 68.634 68.868 0.137 0.000 0.863 437 T HN 0.088 nan 8.240 nan 0.000 0.413 438 I N 1.441 122.080 120.570 0.114 0.000 2.145 438 I HA -0.297 3.873 4.170 0.000 0.000 0.244 438 I C 2.635 178.842 176.117 0.150 0.000 1.075 438 I CA 1.652 63.010 61.300 0.096 0.000 1.332 438 I CB -0.484 37.489 38.000 -0.044 0.000 1.033 438 I HN 0.258 nan 8.210 nan 0.000 0.410 439 K N 1.436 121.903 120.400 0.111 0.000 2.001 439 K HA -0.150 4.170 4.320 0.000 0.000 0.208 439 K C 2.212 178.872 176.600 0.099 0.000 1.048 439 K CA 1.748 58.093 56.287 0.096 0.000 0.932 439 K CB -0.555 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 0.702 109.555 108.800 0.087 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 1.287 176.090 174.900 -0.161 0.000 1.164 440 G CA 0.953 46.005 45.100 -0.080 0.000 0.768 440 G HN 0.291 nan 8.290 nan 0.000 0.560 441 F N 0.507 120.563 119.950 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 1.462 59.543 58.000 0.136 0.000 1.275 441 F CB -0.702 38.396 39.000 0.163 0.000 1.008 441 F HN 0.172 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 2.122 178.185 176.000 0.105 0.000 0.993 442 Q CA 2.322 58.212 55.803 0.145 0.000 0.862 442 Q CB -0.142 28.665 28.738 0.115 0.000 0.915 442 Q HN 0.507 nan 8.270 nan 0.000 0.416 443 Q N -0.330 119.531 119.800 0.102 0.000 2.083 443 Q HA -0.106 4.234 4.340 0.000 0.000 0.198 443 Q C 2.152 178.215 176.000 0.104 0.000 0.969 443 Q CA 1.430 57.285 55.803 0.088 0.000 0.838 443 Q CB -0.049 28.801 28.738 0.186 0.000 0.900 443 Q HN 0.487 nan 8.270 nan 0.000 0.436 444 I N 0.647 121.293 120.570 0.127 0.000 2.179 444 I HA -0.287 3.883 4.170 0.000 0.000 0.242 444 I C 2.228 178.374 176.117 0.049 0.000 1.088 444 I CA 1.127 62.477 61.300 0.084 0.000 1.357 444 I CB -0.374 37.596 38.000 -0.050 0.000 1.051 444 I HN 0.218 nan 8.210 nan 0.000 0.409 445 L N 0.771 122.043 121.223 0.080 0.000 2.131 445 L HA -0.178 4.162 4.340 0.000 0.000 0.210 445 L C 2.618 179.508 176.870 0.033 0.000 1.092 445 L CA 1.151 56.027 54.840 0.060 0.000 0.759 445 L CB -0.448 41.662 42.059 0.084 0.000 0.903 445 L HN 0.270 nan 8.230 nan 0.000 0.435 446 A N -0.912 121.926 122.820 0.029 0.000 2.206 446 A HA 0.197 4.517 4.320 0.000 0.000 0.211 446 A C 1.762 179.336 177.584 -0.015 0.000 1.158 446 A CA 0.856 52.896 52.037 0.006 0.000 0.761 446 A CB -0.373 18.626 19.000 -0.002 0.000 0.801 446 A HN 0.543 nan 8.150 nan 0.000 0.473 447 G N -0.623 108.167 108.800 -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 0.406 175.270 174.900 -0.060 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 -0.833 119.280 120.200 -0.145 0.000 2.533 448 E HA 0.112 4.462 4.350 0.000 0.000 0.201 448 E C 0.430 176.631 176.600 -0.665 0.000 1.097 448 E CA 0.599 56.778 56.400 -0.369 0.000 0.887 448 E CB -0.088 29.312 29.700 -0.501 0.000 0.855 448 E HN 0.755 nan 8.360 nan 0.000 0.540 449 Y N -1.578 118.706 120.300 -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 -0.749 57.234 58.100 -0.194 0.000 1.257 449 Y CB 0.500 38.972 38.460 0.019 0.000 1.317 449 Y HN -0.069 nan 8.280 nan 0.000 0.587 450 D N 0.473 120.885 120.400 0.021 0.000 2.389 450 D HA -0.155 4.485 4.640 0.000 0.000 0.221 450 D C 1.856 178.197 176.300 0.068 0.000 0.974 450 D CA 1.400 55.420 54.000 0.035 0.000 0.923 450 D CB 0.079 40.903 40.800 0.041 0.000 0.892 450 D HN 0.659 nan 8.370 nan 0.000 0.518 451 H N -0.586 118.550 119.070 0.110 0.000 2.451 451 H HA 0.084 4.640 4.556 0.000 0.000 0.294 451 H C 1.186 176.587 175.328 0.122 0.000 1.028 451 H CA -0.107 55.995 56.048 0.089 0.000 1.349 451 H CB -0.426 29.372 29.762 0.059 0.000 1.444 451 H HN 0.020 nan 8.280 nan 0.000 0.538 452 L N 2.708 123.802 121.223 -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 -0.299 41.673 42.059 -0.146 0.000 1.099 452 L HN 0.073 nan 8.230 nan 0.000 0.494 453 P HA 0.170 nan 4.420 nan 0.000 0.278 453 P C -0.169 177.290 177.300 0.265 0.000 1.238 453 P CA -0.510 62.674 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 0.736 121.060 120.200 0.207 0.000 2.033 454 E HA -0.267 4.083 4.350 0.000 0.000 0.199 454 E C 1.817 178.601 176.600 0.307 0.000 1.011 454 E CA 1.224 57.766 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 0.040 119.938 119.800 0.163 0.000 2.290 455 Q HA -0.206 4.134 4.340 0.000 0.000 0.211 455 Q C 2.094 178.192 176.000 0.163 0.000 0.991 455 Q CA 1.576 57.470 55.803 0.151 0.000 0.893 455 Q CB -0.481 28.312 28.738 0.092 0.000 0.913 455 Q HN 0.369 nan 8.270 nan 0.000 0.428 456 A N -0.875 121.995 122.820 0.084 0.000 2.015 456 A HA -0.113 4.207 4.320 0.000 0.000 0.219 456 A C 1.550 179.025 177.584 -0.181 0.000 1.163 456 A CA 0.924 52.894 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 -2.525 117.451 119.950 0.043 0.000 2.743 457 F HA 0.180 4.707 4.527 0.000 0.000 0.297 457 F C 0.787 176.696 175.800 0.183 0.000 1.131 457 F CA -0.275 57.782 58.000 0.094 0.000 1.426 457 F CB -0.289 38.747 39.000 0.060 0.000 1.116 457 F HN 0.274 nan 8.300 nan 0.000 0.583 458 Y N 1.689 122.089 120.300 0.168 0.000 2.377 458 Y HA 0.291 4.841 4.550 -0.000 0.000 0.330 458 Y C 0.605 176.506 175.900 0.001 0.000 1.108 458 Y CA -1.688 56.459 58.100 0.080 0.000 1.308 458 Y CB 0.254 38.749 38.460 0.058 0.000 1.216 458 Y HN 0.015 nan 8.280 nan 0.000 0.518 459 M N 6.176 125.402 119.600 -0.623 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 1.023 55.925 55.300 -0.662 0.000 0.702 459 M CB -2.516 29.414 32.600 -1.116 0.000 1.193 459 M HN 0.515 nan 8.290 nan 0.000 0.775 460 V N -1.891 117.920 119.914 -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 -0.067 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 0.671 109.450 108.800 -0.036 0.000 2.964 461 G HA2 0.491 4.452 3.960 0.000 0.000 0.191 461 G HA3 0.491 4.452 3.960 0.000 0.000 0.191 461 G C -2.410 172.479 174.900 -0.018 0.000 1.978 461 G CA -0.340 44.733 45.100 -0.046 0.000 0.861 461 G HN 0.714 nan 8.290 nan 0.000 0.584 462 P HA 0.203 nan 4.420 nan 0.000 0.272 462 P C 0.785 178.194 177.300 0.181 0.000 1.223 462 P CA -0.583 62.591 63.100 0.124 0.000 0.784 462 P CB 1.173 32.909 31.700 0.060 0.000 0.923 463 I N 1.381 122.053 120.570 0.169 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 -0.300 37.454 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 2.013 178.551 176.600 -0.103 0.000 0.988 464 E CA 1.388 57.734 56.400 -0.090 0.000 0.811 464 E CB -0.189 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 0.223 120.379 120.200 -0.074 0.000 2.204 465 E HA -0.112 4.238 4.350 0.000 0.000 0.194 465 E C 1.972 178.492 176.600 -0.134 0.000 0.989 465 E CA 0.805 57.165 56.400 -0.068 0.000 0.824 465 E CB -0.082 29.603 29.700 -0.024 0.000 0.756 465 E HN 0.267 nan 8.360 nan 0.000 0.477 466 A N 1.239 123.917 122.820 -0.236 0.000 1.929 466 A HA -0.073 4.247 4.320 0.000 0.000 0.216 466 A C 2.496 179.787 177.584 -0.489 0.000 1.176 466 A CA 0.763 52.526 52.037 -0.457 0.000 0.628 466 A CB -0.407 18.108 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 -0.134 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 0.026 122.781 122.820 -0.108 0.000 1.865 468 A HA -0.298 4.022 4.320 0.000 0.000 0.217 468 A C 2.319 179.864 177.584 -0.064 0.000 1.191 468 A CA 2.340 54.340 52.037 -0.063 0.000 0.623 468 A CB -0.590 18.382 19.000 -0.046 0.000 0.826 468 A HN 0.517 nan 8.150 nan 0.000 0.444 469 K N -0.288 120.061 120.400 -0.085 0.000 2.152 469 K HA -0.135 4.185 4.320 0.000 0.000 0.206 469 K C 2.040 178.600 176.600 -0.068 0.000 1.048 469 K CA 1.249 57.497 56.287 -0.065 0.000 0.933 469 K CB -0.327 32.131 32.500 -0.069 0.000 0.721 469 K HN 0.402 nan 8.250 nan 0.000 0.447 470 A N 1.735 124.490 122.820 -0.108 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 1.998 53.989 52.037 -0.075 0.000 0.617 470 A CB -0.616 18.327 19.000 -0.096 0.000 0.827 470 A HN 0.426 nan 8.150 nan 0.000 0.443 471 D N -0.276 120.112 120.400 -0.019 0.000 2.087 471 D HA -0.183 4.457 4.640 0.000 0.000 0.192 471 D C 1.827 178.126 176.300 -0.002 0.000 0.993 471 D CA 1.667 55.666 54.000 -0.003 0.000 0.828 471 D CB -0.519 40.280 40.800 -0.003 0.000 0.968 471 D HN 0.509 nan 8.370 nan 0.000 0.448 472 K N 0.268 120.663 120.400 -0.007 0.000 2.127 472 K HA -0.133 4.187 4.320 0.000 0.000 0.208 472 K C 2.171 178.775 176.600 0.006 0.000 1.047 472 K CA 0.894 57.181 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 -0.435 120.792 121.223 0.006 0.000 2.313 473 L HA 0.006 4.346 4.340 0.000 0.000 0.214 473 L C 2.258 179.138 176.870 0.016 0.000 1.119 473 L CA 0.500 55.349 54.840 0.015 0.000 0.809 473 L CB -0.397 41.672 42.059 0.018 0.000 0.933 473 L HN 0.192 nan 8.230 nan 0.000 0.449 474 A N -0.460 122.368 122.820 0.013 0.000 2.204 474 A HA -0.138 4.182 4.320 0.000 0.000 0.220 474 A C 0.505 178.099 177.584 0.016 0.000 1.165 474 A CA 1.521 53.569 52.037 0.017 0.000 0.671 474 A CB -0.216 18.795 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