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 2w6f_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 -0.431 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 1.986 110.428 108.800 -0.596 0.000 2.667 11 G HA2 0.788 4.748 3.960 0.000 0.000 0.310 11 G HA3 0.788 4.748 3.960 0.000 0.000 0.310 11 G C -0.916 173.647 174.900 -0.562 0.000 1.259 11 G CA -1.022 43.340 45.100 -1.231 0.000 1.019 11 G HN 0.613 nan 8.290 nan 0.000 0.496 12 R N -1.033 119.204 120.500 -0.438 0.000 2.803 12 R HA 0.463 4.803 4.340 0.000 0.000 0.276 12 R C -0.625 175.555 176.300 -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 32.641 30.300 -0.158 0.000 1.179 12 R HN 0.343 nan 8.270 nan 0.000 0.472 13 I N 2.385 122.877 120.570 -0.129 0.000 2.441 13 I HA -0.004 4.166 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 0.561 nan 8.210 nan 0.000 0.523 14 V N 2.970 122.849 119.914 -0.058 0.000 3.570 14 V HA 0.571 4.691 4.120 0.000 0.000 0.257 14 V C 0.553 176.630 176.094 -0.029 0.000 1.272 14 V CA 0.330 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 -0.048 122.757 122.820 -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 21.170 19.000 -0.011 0.000 1.277 15 A HN 0.562 nan 8.150 nan 0.000 0.400 16 V N 2.571 122.479 119.914 -0.011 0.000 2.483 16 V HA 0.580 4.700 4.120 0.000 0.000 0.297 16 V C -0.657 175.433 176.094 -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 0.805 176.920 176.117 -0.004 0.000 1.109 17 I CA 0.029 61.327 61.300 -0.004 0.000 1.084 17 I CB 1.327 39.325 38.000 -0.004 0.000 1.206 17 I HN 0.906 nan 8.210 nan 0.000 0.486 18 G N 4.130 112.928 108.800 -0.004 0.000 2.528 18 G HA2 -0.297 3.663 3.960 0.000 0.000 0.262 18 G HA3 -0.297 3.663 3.960 0.000 0.000 0.262 18 G C 0.798 175.697 174.900 -0.002 0.000 1.200 18 G CA 0.313 45.411 45.100 -0.004 0.000 0.951 18 G HN 0.804 nan 8.290 nan 0.000 0.566 19 A N -0.756 122.062 122.820 -0.003 0.000 2.239 19 A HA 0.513 4.833 4.320 0.000 0.000 0.209 19 A C 1.091 178.677 177.584 0.003 0.000 1.171 19 A CA 1.832 53.869 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 1.534 nan 8.150 nan 0.000 0.478 20 V N 0.816 120.731 119.914 0.002 0.000 2.394 20 V HA 0.419 4.539 4.120 0.000 0.000 0.282 20 V C -0.502 175.596 176.094 0.006 0.000 1.031 20 V CA -0.440 61.864 62.300 0.005 0.000 0.881 20 V CB 1.378 33.203 31.823 0.004 0.000 0.982 20 V HN 0.068 nan 8.190 nan 0.000 0.451 21 V N 3.793 123.714 119.914 0.011 0.000 2.588 21 V HA 0.479 4.599 4.120 0.000 0.000 0.304 21 V C -0.766 175.336 176.094 0.013 0.000 1.042 21 V CA -0.776 61.528 62.300 0.007 0.000 0.877 21 V CB 2.127 33.953 31.823 0.006 0.000 0.996 21 V HN 0.791 nan 8.190 nan 0.000 0.425 22 D N 2.879 123.281 120.400 0.004 0.000 2.177 22 D HA 0.606 5.246 4.640 0.000 0.000 0.247 22 D C -0.590 175.703 176.300 -0.012 0.000 1.063 22 D CA -0.021 53.984 54.000 0.008 0.000 0.867 22 D CB 2.379 43.181 40.800 0.004 0.000 1.168 22 D HN 0.262 nan 8.370 nan 0.000 0.445 23 V N 2.148 122.061 119.914 -0.002 0.000 2.735 23 V HA 0.303 4.423 4.120 0.000 0.000 0.310 23 V C -0.166 175.880 176.094 -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 -0.086 0.000 1.005 23 V HN 0.385 nan 8.190 nan 0.000 0.428 24 Q N 2.671 122.361 119.800 -0.183 0.000 2.347 24 Q HA 0.545 4.885 4.340 0.000 0.000 0.262 24 Q C -1.759 174.098 176.000 -0.237 0.000 0.980 24 Q CA -0.410 55.319 55.803 -0.123 0.000 0.867 24 Q CB 1.249 29.935 28.738 -0.087 0.000 1.242 24 Q HN 0.650 nan 8.270 nan 0.000 0.453 25 F N 1.931 121.854 119.950 -0.045 0.000 2.399 25 F HA 0.208 4.735 4.527 -0.000 0.000 0.334 25 F C 1.134 176.911 175.800 -0.038 0.000 1.097 25 F CA -0.341 57.635 58.000 -0.040 0.000 1.076 25 F CB 1.348 40.319 39.000 -0.048 0.000 1.162 25 F HN 0.592 nan 8.300 nan 0.000 0.495 26 D N 1.242 121.718 120.400 0.127 0.000 2.162 26 D HA -0.037 4.603 4.640 0.000 0.000 0.205 26 D C 0.011 176.353 176.300 0.070 0.000 0.964 26 D CA 1.121 55.161 54.000 0.065 0.000 0.847 26 D CB 0.239 41.059 40.800 0.034 0.000 0.988 26 D HN 0.661 nan 8.370 nan 0.000 0.480 27 E N -0.727 119.529 120.200 0.095 0.000 2.293 27 E HA 0.535 4.885 4.350 0.000 0.000 0.270 27 E C -0.165 176.463 176.600 0.047 0.000 0.879 27 E CA -1.241 55.192 56.400 0.054 0.000 0.756 27 E CB 2.075 31.799 29.700 0.039 0.000 1.208 27 E HN 0.000 nan 8.360 nan 0.000 0.428 28 G N 1.877 110.671 108.800 -0.011 0.000 2.686 28 G HA2 -0.206 3.754 3.960 0.000 0.000 0.211 28 G HA3 -0.206 3.754 3.960 0.000 0.000 0.211 28 G C -0.861 173.910 174.900 -0.216 0.000 0.829 28 G CA -0.432 44.620 45.100 -0.080 0.000 0.993 28 G HN 0.372 nan 8.290 nan 0.000 0.330 29 L N 5.866 126.956 121.223 -0.221 0.000 2.278 29 L HA 0.489 4.829 4.340 0.000 0.000 0.287 29 L C -1.206 175.466 176.870 -0.330 0.000 1.072 29 L CA -1.901 52.731 54.840 -0.346 0.000 0.819 29 L CB 0.768 42.663 42.059 -0.274 0.000 1.176 29 L HN 0.398 nan 8.230 nan 0.000 0.435 30 P HA 0.156 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 -1.073 61.858 63.100 -0.280 0.000 0.765 30 P CB -0.180 31.307 31.700 -0.355 0.000 0.828 31 P HA 0.125 nan 4.420 nan 0.000 0.271 31 P C 0.479 177.769 177.300 -0.015 0.000 1.233 31 P CA -0.055 63.059 63.100 0.024 0.000 0.789 31 P CB 0.586 32.264 31.700 -0.035 0.000 0.951 32 I N 1.817 122.301 120.570 -0.143 0.000 2.692 32 I HA -0.075 4.095 4.170 0.000 0.000 0.284 32 I C 1.549 177.592 176.117 -0.124 0.000 1.159 32 I CA 0.536 61.749 61.300 -0.144 0.000 1.423 32 I CB -0.219 37.647 38.000 -0.224 0.000 1.380 32 I HN 0.425 nan 8.210 nan 0.000 0.580 33 L N 1.957 123.108 121.223 -0.119 0.000 3.271 33 L HA -0.239 4.101 4.340 0.000 0.000 0.429 33 L C 0.308 177.144 176.870 -0.057 0.000 0.724 33 L CA 0.142 54.879 54.840 -0.171 0.000 2.742 33 L CB -1.450 40.417 42.059 -0.320 0.000 0.986 33 L HN 0.668 nan 8.230 nan 0.000 0.656 34 N N 1.178 119.860 118.700 -0.030 0.000 2.441 34 N HA 0.429 5.169 4.740 0.000 0.000 0.251 34 N C 0.207 175.734 175.510 0.028 0.000 1.242 34 N CA 1.060 54.110 53.050 -0.001 0.000 0.898 34 N CB 0.791 39.266 38.487 -0.020 0.000 1.100 34 N HN 0.335 nan 8.380 nan 0.000 0.443 35 A N 2.384 125.227 122.820 0.038 0.000 2.305 35 A HA 0.651 4.971 4.320 0.000 0.000 0.322 35 A C -0.570 177.046 177.584 0.053 0.000 1.187 35 A CA -0.617 51.451 52.037 0.052 0.000 0.825 35 A CB 0.319 19.350 19.000 0.052 0.000 1.164 35 A HN 0.600 nan 8.150 nan 0.000 0.498 36 L N 1.733 122.999 121.223 0.072 0.000 2.342 36 L HA 0.561 4.901 4.340 0.000 0.000 0.271 36 L C -0.303 176.608 176.870 0.068 0.000 1.008 36 L CA -0.772 54.125 54.840 0.095 0.000 0.818 36 L CB 1.820 43.971 42.059 0.154 0.000 1.296 36 L HN 0.655 nan 8.230 nan 0.000 0.427 37 E N 2.004 122.240 120.200 0.059 0.000 2.171 37 E HA 0.360 4.710 4.350 0.000 0.000 0.271 37 E C -0.960 175.658 176.600 0.029 0.000 0.916 37 E CA -0.774 55.647 56.400 0.036 0.000 0.774 37 E CB 3.003 32.717 29.700 0.024 0.000 1.128 37 E HN 0.198 nan 8.360 nan 0.000 0.403 38 V N 3.966 123.891 119.914 0.018 0.000 2.508 38 V HA -0.021 4.099 4.120 0.000 0.000 0.281 38 V C 0.591 176.686 176.094 0.001 0.000 1.041 38 V CA -0.259 62.044 62.300 0.005 0.000 1.016 38 V CB 0.787 32.611 31.823 0.001 0.000 0.984 38 V HN 0.513 nan 8.190 nan 0.000 0.478 39 Q N 2.740 122.537 119.800 -0.006 0.000 2.306 39 Q HA 0.424 4.764 4.340 0.000 0.000 0.241 39 Q C 1.101 177.096 176.000 -0.009 0.000 0.948 39 Q CA 0.440 56.239 55.803 -0.006 0.000 0.886 39 Q CB 1.188 29.920 28.738 -0.009 0.000 1.227 39 Q HN 1.140 nan 8.270 nan 0.000 0.457 40 G N 1.647 110.443 108.800 -0.007 0.000 2.171 40 G HA2 -0.251 3.709 3.960 0.000 0.000 0.238 40 G HA3 -0.251 3.709 3.960 0.000 0.000 0.238 40 G C -0.149 174.748 174.900 -0.005 0.000 1.039 40 G CA -0.060 45.035 45.100 -0.007 0.000 0.759 40 G HN 0.423 nan 8.290 nan 0.000 0.501 41 R N -0.660 119.838 120.500 -0.003 0.000 2.621 41 R HA 0.387 4.727 4.340 0.000 0.000 0.292 41 R C 0.750 177.049 176.300 -0.001 0.000 0.969 41 R CA -0.996 55.102 56.100 -0.002 0.000 0.887 41 R CB 1.162 31.462 30.300 -0.001 0.000 1.180 41 R HN 0.029 nan 8.270 nan 0.000 0.450 42 E N 0.713 120.912 120.200 -0.000 0.000 2.130 42 E HA -0.117 4.233 4.350 0.000 0.000 0.196 42 E C 0.669 177.270 176.600 0.001 0.000 0.998 42 E CA 1.571 57.971 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 -2.180 112.375 114.554 0.002 0.000 2.924 43 T HA 0.475 4.825 4.350 0.000 0.000 0.291 43 T C 0.061 174.764 174.700 0.005 0.000 1.045 43 T CA -0.985 61.117 62.100 0.004 0.000 1.015 43 T CB 2.351 71.221 68.868 0.004 0.000 1.103 43 T HN -0.099 nan 8.240 nan 0.000 0.496 44 R N 1.230 121.734 120.500 0.007 0.000 2.399 44 R HA 0.309 4.649 4.340 0.000 0.000 0.324 44 R C -0.992 175.314 176.300 0.011 0.000 1.030 44 R CA -0.551 55.554 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 0.536 nan 8.270 nan 0.000 0.433 45 L N 6.354 127.583 121.223 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 54.356 54.840 0.014 0.000 0.819 45 L CB 1.775 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 6.339 126.267 119.914 0.025 0.000 2.472 46 V HA 0.477 4.597 4.120 0.000 0.000 0.290 46 V C -0.022 176.094 176.094 0.038 0.000 1.037 46 V CA -0.623 61.696 62.300 0.033 0.000 0.908 46 V CB 1.673 33.517 31.823 0.034 0.000 0.985 46 V HN 0.576 nan 8.190 nan 0.000 0.454 47 L N 3.938 125.189 121.223 0.047 0.000 2.305 47 L HA 0.576 4.916 4.340 0.000 0.000 0.284 47 L C 0.028 176.935 176.870 0.062 0.000 1.013 47 L CA -0.307 54.564 54.840 0.051 0.000 0.819 47 L CB 1.731 43.824 42.059 0.056 0.000 1.227 47 L HN 0.652 nan 8.230 nan 0.000 0.417 48 E N 2.521 122.757 120.200 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 1.753 31.503 29.700 0.083 0.000 1.081 48 E HN 0.327 nan 8.360 nan 0.000 0.397 49 V N 4.293 124.236 119.914 0.050 0.000 2.529 49 V HA 0.034 4.154 4.120 0.000 0.000 0.292 49 V C 0.934 177.042 176.094 0.024 0.000 1.028 49 V CA 0.914 63.248 62.300 0.058 0.000 1.074 49 V CB 0.791 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 4.287 127.129 122.820 0.037 0.000 2.013 50 A HA 0.334 4.654 4.320 0.000 0.000 0.204 50 A C 0.728 178.316 177.584 0.006 0.000 1.262 50 A CA 0.301 52.344 52.037 0.010 0.000 0.800 50 A CB 0.349 19.360 19.000 0.017 0.000 0.909 50 A HN 0.772 nan 8.150 nan 0.000 0.472 51 Q N -1.487 118.344 119.800 0.053 0.000 2.534 51 Q HA 0.362 4.702 4.340 0.000 0.000 0.290 51 Q C -1.658 174.462 176.000 0.201 0.000 0.991 51 Q CA -0.588 55.255 55.803 0.065 0.000 0.783 51 Q CB 1.774 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 1.808 120.880 119.070 0.003 0.000 2.661 52 H HA 0.241 4.797 4.556 -0.000 0.000 0.290 52 H C 0.534 175.869 175.328 0.011 0.000 1.082 52 H CA -0.236 55.818 56.048 0.009 0.000 1.234 52 H CB 0.771 30.533 29.762 -0.001 0.000 1.387 52 H HN 0.432 nan 8.280 nan 0.000 0.476 53 L N 2.711 123.996 121.223 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 0.020 108.837 108.800 0.028 0.000 2.629 54 G HA2 -0.123 3.837 3.960 0.000 0.000 0.686 54 G HA3 -0.123 3.837 3.960 0.000 0.000 0.686 54 G C -0.000 174.898 174.900 -0.004 0.000 1.232 54 G CA -0.363 44.744 45.100 0.011 0.000 0.803 54 G HN 0.282 nan 8.290 nan 0.000 0.638 55 E N -0.911 119.284 120.200 -0.008 0.000 2.759 55 E HA -0.212 4.138 4.350 0.000 0.000 0.280 55 E C 0.908 177.502 176.600 -0.010 0.000 1.009 55 E CA 0.976 57.372 56.400 -0.007 0.000 0.849 55 E CB -1.687 28.011 29.700 -0.002 0.000 1.415 55 E HN 2.159 nan 8.360 nan 0.000 0.412 56 S N -1.530 114.153 115.700 -0.028 0.000 3.631 56 S HA -0.216 4.254 4.470 0.000 0.000 0.366 56 S C -0.058 174.549 174.600 0.010 0.000 0.993 56 S CA 1.424 59.609 58.200 -0.025 0.000 1.167 56 S CB -1.119 62.087 63.200 0.010 0.000 0.909 56 S HN 0.398 nan 8.310 nan 0.000 0.478 57 T N 1.311 115.858 114.554 -0.011 0.000 2.881 57 T HA 0.624 4.974 4.350 0.000 0.000 0.290 57 T C 0.127 174.840 174.700 0.021 0.000 1.000 57 T CA -0.393 61.718 62.100 0.019 0.000 0.978 57 T CB 1.846 70.719 68.868 0.009 0.000 0.997 57 T HN 0.659 nan 8.240 nan 0.000 0.443 58 V N 1.630 121.589 119.914 0.076 0.000 2.581 58 V HA 0.770 4.890 4.120 0.000 0.000 0.303 58 V C -0.216 175.936 176.094 0.096 0.000 1.041 58 V CA -1.331 61.034 62.300 0.108 0.000 0.907 58 V CB 1.647 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 2.588 123.143 120.500 0.091 0.000 2.312 59 R HA 0.742 5.082 4.340 0.000 0.000 0.311 59 R C -0.104 176.234 176.300 0.064 0.000 1.004 59 R CA 0.377 56.513 56.100 0.061 0.000 0.902 59 R CB 1.467 31.794 30.300 0.045 0.000 1.073 59 R HN 1.174 nan 8.270 nan 0.000 0.457 60 T N 2.090 116.675 114.554 0.052 0.000 2.901 60 T HA 0.509 4.859 4.350 0.000 0.000 0.293 60 T C 0.047 174.767 174.700 0.034 0.000 1.084 60 T CA -1.059 61.071 62.100 0.050 0.000 1.008 60 T CB 1.070 69.978 68.868 0.065 0.000 1.170 60 T HN 0.581 nan 8.240 nan 0.000 0.509 61 I N 0.393 120.983 120.570 0.033 0.000 2.339 61 I HA 0.771 4.941 4.170 0.000 0.000 0.290 61 I C 0.361 176.495 176.117 0.028 0.000 0.994 61 I CA -1.377 59.938 61.300 0.025 0.000 1.191 61 I CB 1.070 39.082 38.000 0.020 0.000 1.343 61 I HN 0.881 nan 8.210 nan 0.000 0.458 62 A N 7.042 129.875 122.820 0.021 0.000 2.477 62 A HA 0.369 4.689 4.320 0.000 0.000 0.246 62 A C 0.835 178.432 177.584 0.022 0.000 1.078 62 A CA -0.306 51.743 52.037 0.021 0.000 0.770 62 A CB 0.410 19.418 19.000 0.013 0.000 1.011 62 A HN 0.846 nan 8.150 nan 0.000 0.494 63 M N 1.185 120.800 119.600 0.025 0.000 2.563 63 M HA 0.195 4.675 4.480 0.000 0.000 0.231 63 M C -0.022 176.289 176.300 0.019 0.000 1.136 63 M CA 0.494 55.809 55.300 0.025 0.000 1.026 63 M CB -1.316 31.302 32.600 0.030 0.000 1.597 63 M HN 0.833 nan 8.290 nan 0.000 0.495 64 D N -1.438 118.971 120.400 0.015 0.000 2.865 64 D HA 0.387 5.027 4.640 0.000 0.000 0.343 64 D C -0.528 175.778 176.300 0.009 0.000 1.372 64 D CA -0.211 53.797 54.000 0.012 0.000 0.862 64 D CB 0.596 41.403 40.800 0.012 0.000 1.425 64 D HN 0.102 nan 8.370 nan 0.000 0.501 65 G N -0.687 108.117 108.800 0.007 0.000 2.391 65 G HA2 0.329 4.289 3.960 0.000 0.000 0.234 65 G HA3 0.329 4.289 3.960 0.000 0.000 0.234 65 G C 0.833 175.735 174.900 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 1.550 121.750 120.200 -0.001 0.000 2.415 67 E HA 0.469 4.819 4.350 0.000 0.000 0.262 67 E C 1.434 178.032 176.600 -0.003 0.000 1.038 67 E CA 0.502 56.901 56.400 -0.002 0.000 0.921 67 E CB -0.363 29.336 29.700 -0.001 0.000 0.950 67 E HN 0.272 nan 8.360 nan 0.000 0.438 68 G N 1.341 110.138 108.800 -0.004 0.000 2.184 68 G HA2 -0.317 3.643 3.960 0.000 0.000 0.264 68 G HA3 -0.317 3.643 3.960 0.000 0.000 0.264 68 G C 0.104 174.999 174.900 -0.007 0.000 0.975 68 G CA 0.231 45.328 45.100 -0.005 0.000 0.642 68 G HN 0.373 nan 8.290 nan 0.000 0.536 69 L N 0.116 121.335 121.223 -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 1.207 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 1.710 121.613 119.914 -0.018 0.000 2.823 70 V HA 0.392 4.512 4.120 0.000 0.000 0.312 70 V C -0.036 176.043 176.094 -0.025 0.000 1.072 70 V CA -0.969 61.319 62.300 -0.019 0.000 0.937 70 V CB 1.958 33.770 31.823 -0.018 0.000 1.013 70 V HN 0.633 nan 8.190 nan 0.000 0.430 71 R N 1.663 122.149 120.500 -0.024 0.000 2.522 71 R HA 0.422 4.762 4.340 0.000 0.000 0.284 71 R C 1.304 177.583 176.300 -0.035 0.000 1.032 71 R CA 1.299 57.382 56.100 -0.030 0.000 1.049 71 R CB 0.266 30.551 30.300 -0.025 0.000 0.956 71 R HN 1.220 nan 8.270 nan 0.000 0.422 72 G N 1.646 110.418 108.800 -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 45.049 45.100 -0.051 0.000 0.623 72 G HN 0.595 nan 8.290 nan 0.000 0.514 73 Q N 1.052 120.821 119.800 -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 0.518 56.291 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 1.222 121.587 120.400 -0.059 0.000 2.185 74 K HA 0.427 4.747 4.320 0.000 0.000 0.271 74 K C -1.283 175.278 176.600 -0.066 0.000 1.013 74 K CA -0.441 55.803 56.287 -0.072 0.000 0.943 74 K CB 1.274 33.746 32.500 -0.048 0.000 0.998 74 K HN 0.316 nan 8.250 nan 0.000 0.468 75 V N 4.211 124.071 119.914 -0.090 0.000 2.655 75 V HA 0.256 4.376 4.120 0.000 0.000 0.301 75 V C -0.939 175.170 176.094 0.026 0.000 1.082 75 V CA -0.809 61.464 62.300 -0.046 0.000 0.899 75 V CB 1.628 33.398 31.823 -0.088 0.000 1.014 75 V HN 0.601 nan 8.190 nan 0.000 0.429 76 L N 3.543 124.817 121.223 0.086 0.000 2.275 76 L HA 0.485 4.825 4.340 0.000 0.000 0.288 76 L C -0.007 176.973 176.870 0.184 0.000 1.046 76 L CA -0.525 54.399 54.840 0.141 0.000 0.805 76 L CB 1.492 43.594 42.059 0.072 0.000 1.193 76 L HN 0.657 nan 8.230 nan 0.000 0.426 77 D N 1.519 122.052 120.400 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 1.309 42.045 40.800 -0.107 0.000 1.147 77 D HN 0.522 nan 8.370 nan 0.000 0.478 78 S N 2.987 118.704 115.700 0.028 0.000 2.547 78 S HA 0.052 4.522 4.470 0.000 0.000 0.235 78 S C 1.772 176.366 174.600 -0.010 0.000 0.980 78 S CA 0.582 58.786 58.200 0.008 0.000 0.941 78 S CB -0.585 62.620 63.200 0.007 0.000 0.763 78 S HN 1.067 nan 8.310 nan 0.000 0.532 79 G N -0.002 108.785 108.800 -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 45.061 45.100 -0.030 0.000 0.670 79 G HN 1.745 nan 8.290 nan 0.000 0.528 80 A N -1.064 121.751 122.820 -0.009 0.000 2.597 80 A HA 0.822 5.142 4.320 0.000 0.000 0.292 80 A C -2.863 174.735 177.584 0.023 0.000 1.057 80 A CA -0.433 51.605 52.037 0.003 0.000 0.674 80 A CB 1.180 20.183 19.000 0.004 0.000 1.278 80 A HN 0.235 nan 8.150 nan 0.000 0.416 81 P HA 0.275 nan 4.420 nan 0.000 0.271 81 P C -0.149 177.206 177.300 0.092 0.000 1.238 81 P CA 0.014 63.171 63.100 0.094 0.000 0.794 81 P CB 0.201 31.998 31.700 0.162 0.000 0.959 82 I N 1.136 121.774 120.570 0.113 0.000 2.821 82 I HA -0.087 4.083 4.170 0.000 0.000 0.294 82 I C 1.290 177.439 176.117 0.055 0.000 1.210 82 I CA 0.939 62.279 61.300 0.067 0.000 1.430 82 I CB -0.264 37.768 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 0.681 5.021 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 55.375 56.100 0.095 0.000 0.864 83 R CB 1.897 32.261 30.300 0.107 0.000 1.159 83 R HN 0.589 nan 8.270 nan 0.000 0.446 84 I N -0.948 119.699 120.570 0.128 0.000 2.846 84 I HA 0.592 4.762 4.170 0.000 0.000 0.307 84 I C -2.447 173.621 176.117 -0.082 0.000 1.053 84 I CA -3.395 57.968 61.300 0.105 0.000 1.050 84 I CB 2.125 40.112 38.000 -0.022 0.000 1.239 84 I HN 0.322 nan 8.210 nan 0.000 0.439 85 P HA 0.055 nan 4.420 nan 0.000 0.260 85 P C -0.396 176.562 177.300 -0.571 0.000 1.207 85 P CA 0.153 62.738 63.100 -0.859 0.000 0.780 85 P CB 0.476 31.876 31.700 -0.499 0.000 0.789 86 V N 1.273 120.801 119.914 -0.643 0.000 2.815 86 V HA 1.030 5.150 4.120 0.000 0.000 0.314 86 V C 0.210 175.761 176.094 -0.905 0.000 1.064 86 V CA -0.282 61.626 62.300 -0.653 0.000 0.952 86 V CB 1.523 33.014 31.823 -0.552 0.000 1.020 86 V HN 0.882 nan 8.190 nan 0.000 0.439 87 G N 3.015 111.114 108.800 -1.169 0.000 2.361 87 G HA2 0.216 4.176 3.960 0.000 0.000 0.331 87 G HA3 0.216 4.176 3.960 0.000 0.000 0.331 87 G C -2.703 172.047 174.900 -0.251 0.000 1.324 87 G CA 0.016 44.472 45.100 -1.074 0.000 0.984 87 G HN 0.605 nan 8.290 nan 0.000 0.586 88 P HA -0.005 nan 4.420 nan 0.000 0.220 88 P C 1.169 178.460 177.300 -0.014 0.000 1.148 88 P CA 1.559 64.696 63.100 0.062 0.000 0.803 88 P CB 0.038 31.755 31.700 0.029 0.000 0.782 89 E N 0.099 120.266 120.200 -0.054 0.000 2.485 89 E HA -0.035 4.315 4.350 0.000 0.000 0.194 89 E C 1.088 177.660 176.600 -0.047 0.000 1.098 89 E CA 0.872 57.244 56.400 -0.047 0.000 0.878 89 E CB -1.231 28.437 29.700 -0.053 0.000 0.939 89 E HN 0.366 nan 8.360 nan 0.000 0.503 90 T N -1.760 112.774 114.554 -0.035 0.000 3.051 90 T HA 0.135 4.485 4.350 0.000 0.000 0.255 90 T C 1.093 175.824 174.700 0.052 0.000 1.085 90 T CA -0.325 61.766 62.100 -0.015 0.000 1.109 90 T CB -0.255 68.583 68.868 -0.050 0.000 0.921 90 T HN 0.029 nan 8.240 nan 0.000 0.488 91 L N 2.070 123.331 121.223 0.062 0.000 2.525 91 L HA 0.413 4.753 4.340 0.000 0.000 0.278 91 L C 1.776 178.688 176.870 0.071 0.000 1.218 91 L CA 1.053 55.928 54.840 0.058 0.000 0.878 91 L CB -0.079 41.963 42.059 -0.029 0.000 1.127 91 L HN 0.548 nan 8.230 nan 0.000 0.492 92 G N 1.230 110.092 108.800 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 0.427 175.411 174.900 0.141 0.000 0.975 92 G CA -0.113 45.059 45.100 0.120 0.000 0.644 92 G HN 0.456 nan 8.290 nan 0.000 0.537 93 R N -0.398 120.164 120.500 0.104 0.000 2.782 93 R HA 0.791 5.131 4.340 0.000 0.000 0.258 93 R C 0.249 176.581 176.300 0.054 0.000 1.055 93 R CA -1.076 55.068 56.100 0.073 0.000 1.065 93 R CB 0.772 31.093 30.300 0.036 0.000 1.172 93 R HN 0.280 nan 8.270 nan 0.000 0.510 94 I N 1.467 122.033 120.570 -0.007 0.000 2.418 94 I HA 0.413 4.583 4.170 0.000 0.000 0.287 94 I C -0.008 176.110 176.117 0.002 0.000 1.008 94 I CA -0.360 60.930 61.300 -0.016 0.000 1.104 94 I CB 1.617 39.514 38.000 -0.172 0.000 1.264 94 I HN 0.219 nan 8.210 nan 0.000 0.438 95 M N 4.241 123.864 119.600 0.038 0.000 2.724 95 M HA 0.434 4.914 4.480 0.000 0.000 0.310 95 M C -0.308 176.019 176.300 0.045 0.000 1.217 95 M CA -0.626 54.688 55.300 0.024 0.000 0.894 95 M CB 2.095 34.697 32.600 0.003 0.000 1.719 95 M HN 0.481 nan 8.290 nan 0.000 0.479 96 N N -0.437 118.281 118.700 0.030 0.000 2.405 96 N HA 0.284 5.024 4.740 0.000 0.000 0.269 96 N C 0.680 176.200 175.510 0.017 0.000 1.249 96 N CA -0.311 52.757 53.050 0.031 0.000 0.974 96 N CB 1.135 39.635 38.487 0.022 0.000 1.204 96 N HN 0.458 nan 8.380 nan 0.000 0.565 97 V N 0.453 120.377 119.914 0.018 0.000 2.427 97 V HA -0.151 3.969 4.120 0.000 0.000 0.248 97 V C 1.665 177.760 176.094 0.001 0.000 1.051 97 V CA 1.584 63.887 62.300 0.004 0.000 1.048 97 V CB -0.903 30.927 31.823 0.012 0.000 0.666 97 V HN 0.743 nan 8.190 nan 0.000 0.456 98 I N -0.937 119.642 120.570 0.015 0.000 3.806 98 I HA 0.609 4.779 4.170 0.000 0.000 0.321 98 I C 1.275 177.412 176.117 0.033 0.000 1.315 98 I CA 0.535 61.849 61.300 0.023 0.000 1.148 98 I CB -0.510 37.507 38.000 0.027 0.000 1.028 98 I HN 0.321 nan 8.210 nan 0.000 0.415 99 G N 1.184 109.998 108.800 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 -0.207 174.717 174.900 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 0.980 121.199 120.200 0.031 0.000 2.204 100 E HA 0.421 4.771 4.350 0.000 0.000 0.276 100 E C -2.379 174.231 176.600 0.016 0.000 0.974 100 E CA -2.187 54.230 56.400 0.030 0.000 0.815 100 E CB 1.694 31.408 29.700 0.024 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 0.393 63.493 63.100 -0.000 0.000 0.776 101 P CB 0.327 32.029 31.700 0.003 0.000 0.876 102 I N -1.477 119.075 120.570 -0.030 0.000 3.994 102 I HA 0.274 4.444 4.170 0.000 0.000 0.323 102 I C -0.011 176.053 176.117 -0.088 0.000 1.501 102 I CA -0.247 61.025 61.300 -0.046 0.000 1.112 102 I CB 0.234 38.212 38.000 -0.038 0.000 1.254 102 I HN 0.005 nan 8.210 nan 0.000 0.495 103 D N -0.112 120.238 120.400 -0.083 0.000 2.395 103 D HA 0.034 4.674 4.640 0.000 0.000 0.213 103 D C 0.517 176.805 176.300 -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 0.245 nan 8.370 nan 0.000 0.505 104 E N 0.005 120.198 120.200 -0.010 0.000 2.791 104 E HA -0.256 4.094 4.350 0.000 0.000 0.271 104 E C 0.232 176.846 176.600 0.024 0.000 1.044 104 E CA 0.401 56.807 56.400 0.010 0.000 0.814 104 E CB -1.641 28.070 29.700 0.018 0.000 1.400 104 E HN 0.567 nan 8.360 nan 0.000 0.423 105 R N 0.034 120.549 120.500 0.026 0.000 2.586 105 R HA 0.336 4.676 4.340 0.000 0.000 0.336 105 R C 0.946 177.263 176.300 0.027 0.000 1.060 105 R CA 0.437 56.558 56.100 0.035 0.000 1.079 105 R CB 0.956 31.286 30.300 0.050 0.000 1.317 105 R HN 0.287 nan 8.270 nan 0.000 0.568 106 G N 2.211 111.024 108.800 0.021 0.000 2.756 106 G HA2 -0.195 3.765 3.960 0.000 0.000 0.678 106 G HA3 -0.195 3.765 3.960 0.000 0.000 0.678 106 G C -2.578 172.334 174.900 0.021 0.000 1.349 106 G CA -1.276 43.836 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 0.071 177.385 177.300 0.024 0.000 1.221 107 P CA 0.103 63.222 63.100 0.032 0.000 0.788 107 P CB 0.333 32.056 31.700 0.039 0.000 0.904 108 I N 1.455 122.040 120.570 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 -0.368 60.926 61.300 -0.009 0.000 1.180 108 I CB 0.552 38.529 38.000 -0.038 0.000 1.336 108 I HN 0.013 nan 8.210 nan 0.000 0.467 109 K N 5.692 126.086 120.400 -0.010 0.000 2.187 109 K HA 0.183 4.503 4.320 0.000 0.000 0.242 109 K C 0.247 176.820 176.600 -0.044 0.000 1.179 109 K CA -0.245 56.044 56.287 0.003 0.000 1.097 109 K CB -0.168 32.342 32.500 0.018 0.000 1.634 109 K HN 0.593 nan 8.250 nan 0.000 0.335 110 T N -1.771 112.710 114.554 -0.122 0.000 2.913 110 T HA 0.198 4.548 4.350 0.000 0.000 0.287 110 T C 1.080 175.706 174.700 -0.124 0.000 1.008 110 T CA -0.859 61.107 62.100 -0.222 0.000 1.067 110 T CB 1.618 70.192 68.868 -0.490 0.000 0.996 110 T HN 0.289 nan 8.240 nan 0.000 0.513 111 K N 0.846 121.182 120.400 -0.106 0.000 2.103 111 K HA 0.006 4.326 4.320 0.000 0.000 0.204 111 K C 0.413 177.023 176.600 0.017 0.000 1.052 111 K CA 0.854 57.133 56.287 -0.014 0.000 0.945 111 K CB -0.097 32.405 32.500 0.003 0.000 0.722 111 K HN 0.606 nan 8.250 nan 0.000 0.443 112 Q N -0.424 119.316 119.800 -0.100 0.000 2.445 112 Q HA 0.531 4.871 4.340 0.000 0.000 0.281 112 Q C -1.035 174.771 176.000 -0.322 0.000 1.101 112 Q CA -0.662 55.116 55.803 -0.041 0.000 0.833 112 Q CB 1.042 29.763 28.738 -0.028 0.000 1.416 112 Q HN -0.064 nan 8.270 nan 0.000 0.451 113 F N -0.182 119.728 119.950 -0.068 0.000 2.565 113 F HA 0.830 5.357 4.527 -0.000 0.000 0.313 113 F C -0.583 175.184 175.800 -0.056 0.000 1.091 113 F CA -0.823 57.135 58.000 -0.070 0.000 0.915 113 F CB 2.245 41.217 39.000 -0.047 0.000 1.208 113 F HN 0.650 nan 8.300 nan 0.000 0.453 114 A N 1.521 124.376 122.820 0.058 0.000 2.386 114 A HA 0.885 5.205 4.320 0.000 0.000 0.311 114 A C -1.144 176.462 177.584 0.036 0.000 1.068 114 A CA -0.753 51.300 52.037 0.027 0.000 0.743 114 A CB 1.138 20.114 19.000 -0.039 0.000 1.258 114 A HN 0.967 nan 8.150 nan 0.000 0.429 115 A N 1.439 124.280 122.820 0.034 0.000 2.366 115 A HA 0.497 4.817 4.320 0.000 0.000 0.272 115 A C 1.068 178.643 177.584 -0.014 0.000 1.135 115 A CA -0.036 52.021 52.037 0.034 0.000 0.804 115 A CB -0.358 18.677 19.000 0.059 0.000 1.064 115 A HN 1.602 nan 8.150 nan 0.000 0.499 116 I N -0.402 120.128 120.570 -0.066 0.000 2.756 116 I HA -0.038 4.132 4.170 0.000 0.000 0.262 116 I C 0.167 176.116 176.117 -0.279 0.000 1.225 116 I CA 0.689 61.877 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 2.391 121.451 119.070 -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 -0.069 55.969 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 -0.682 176.916 177.584 0.023 0.000 1.075 118 A CA -0.934 51.126 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 0.627 120.836 120.200 0.015 0.000 2.383 119 E HA 0.486 4.836 4.350 0.000 0.000 0.264 119 E C 0.473 177.073 176.600 0.001 0.000 1.050 119 E CA 0.237 56.643 56.400 0.011 0.000 0.896 119 E CB 1.372 31.079 29.700 0.011 0.000 0.982 119 E HN 0.851 nan 8.360 nan 0.000 0.424 120 A N 3.766 126.588 122.820 0.002 0.000 2.322 120 A HA 0.426 4.746 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 18.633 19.000 -0.003 0.000 1.047 120 A HN 0.336 nan 8.150 nan 0.000 0.487 121 P HA 0.025 nan 4.420 nan 0.000 0.263 121 P C -0.069 177.252 177.300 0.035 0.000 1.175 121 P CA 0.351 63.457 63.100 0.010 0.000 0.761 121 P CB 0.365 32.065 31.700 -0.001 0.000 0.794 122 E N 1.382 121.606 120.200 0.040 0.000 2.392 122 E HA -0.001 4.349 4.350 0.000 0.000 0.256 122 E C 0.843 177.512 176.600 0.114 0.000 1.145 122 E CA -0.248 56.199 56.400 0.077 0.000 0.929 122 E CB 0.027 29.766 29.700 0.065 0.000 0.998 122 E HN 0.384 nan 8.360 nan 0.000 0.442 123 F N 1.840 121.790 119.950 0.000 0.000 2.126 123 F HA -0.200 4.327 4.527 0.000 0.000 0.299 123 F C 1.761 177.561 175.800 0.000 0.000 1.096 123 F CA 1.556 59.557 58.000 0.002 0.000 1.255 123 F CB -0.191 38.811 39.000 0.003 0.000 0.997 123 F HN 0.244 nan 8.300 nan 0.000 0.479 124 V N -2.144 117.748 119.914 -0.036 0.000 3.541 124 V HA -0.017 4.104 4.120 0.000 0.000 0.272 124 V C 1.154 177.176 176.094 -0.120 0.000 1.215 124 V CA 1.343 63.559 62.300 -0.141 0.000 1.176 124 V CB -1.063 30.742 31.823 -0.030 0.000 0.854 124 V HN 0.430 nan 8.190 nan 0.000 0.496 125 E N -0.236 119.908 120.200 -0.094 0.000 2.489 125 E HA 0.256 4.606 4.350 0.000 0.000 0.204 125 E C 0.567 177.115 176.600 -0.088 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 0.272 55.496 55.300 -0.126 0.000 1.172 126 M CB 0.901 33.404 32.600 -0.162 0.000 1.467 126 M HN -0.164 nan 8.290 nan 0.000 0.454 127 S N 0.532 116.185 115.700 -0.078 0.000 2.566 127 S HA 0.738 5.208 4.470 0.000 0.000 0.298 127 S C -0.099 174.472 174.600 -0.048 0.000 1.083 127 S CA -0.744 57.419 58.200 -0.061 0.000 0.978 127 S CB 1.259 64.434 63.200 -0.041 0.000 1.073 127 S HN 0.607 nan 8.310 nan 0.000 0.491 128 V N 0.303 120.193 119.914 -0.039 0.000 2.925 128 V HA 0.562 4.682 4.120 0.000 0.000 0.361 128 V C -0.300 175.787 176.094 -0.012 0.000 1.361 128 V CA -0.600 61.686 62.300 -0.024 0.000 1.184 128 V CB 0.173 31.980 31.823 -0.027 0.000 1.245 128 V HN 0.586 nan 8.190 nan 0.000 0.575 129 E N 2.033 122.227 120.200 -0.011 0.000 2.366 129 E HA 0.474 4.824 4.350 0.000 0.000 0.266 129 E C -0.343 176.260 176.600 0.005 0.000 1.051 129 E CA 0.179 56.578 56.400 -0.003 0.000 0.884 129 E CB 1.109 30.807 29.700 -0.002 0.000 1.006 129 E HN 0.659 nan 8.360 nan 0.000 0.417 130 Q N 2.045 121.852 119.800 0.012 0.000 2.695 130 Q HA 0.285 4.625 4.340 0.000 0.000 0.246 130 Q C -0.779 175.238 176.000 0.028 0.000 0.961 130 Q CA -0.188 55.627 55.803 0.020 0.000 0.708 130 Q CB 1.578 30.329 28.738 0.021 0.000 1.282 130 Q HN 0.366 nan 8.270 nan 0.000 0.482 131 E N 2.441 122.661 120.200 0.033 0.000 2.145 131 E HA 0.334 4.684 4.350 0.000 0.000 0.270 131 E C -0.445 176.189 176.600 0.056 0.000 0.906 131 E CA -0.609 55.816 56.400 0.041 0.000 0.761 131 E CB 2.209 31.931 29.700 0.037 0.000 1.116 131 E HN 0.517 nan 8.360 nan 0.000 0.408 132 I N 3.954 124.562 120.570 0.064 0.000 2.815 132 I HA -0.113 4.057 4.170 0.000 0.000 0.291 132 I C -0.525 175.642 176.117 0.084 0.000 1.209 132 I CA 0.296 61.644 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 8.968 130.253 121.223 0.102 0.000 2.371 133 L HA 0.345 4.685 4.340 0.000 0.000 0.262 133 L C -0.604 176.314 176.870 0.080 0.000 1.054 133 L CA -0.411 54.489 54.840 0.101 0.000 0.924 133 L CB 0.843 42.984 42.059 0.138 0.000 1.295 133 L HN 0.354 nan 8.230 nan 0.000 0.441 134 V N 3.289 123.238 119.914 0.059 0.000 2.617 134 V HA 0.018 4.138 4.120 0.000 0.000 0.304 134 V C 1.587 177.688 176.094 0.012 0.000 1.040 134 V CA 1.150 63.468 62.300 0.030 0.000 1.149 134 V CB 0.780 32.624 31.823 0.035 0.000 0.914 134 V HN 0.910 nan 8.190 nan 0.000 0.487 135 T N 0.006 114.539 114.554 -0.036 0.000 2.969 135 T HA 0.337 4.687 4.350 0.000 0.000 0.250 135 T C 1.358 176.032 174.700 -0.043 0.000 1.021 135 T CA 0.837 62.910 62.100 -0.045 0.000 1.003 135 T CB 0.675 69.461 68.868 -0.135 0.000 1.040 135 T HN 1.553 nan 8.240 nan 0.000 0.492 136 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 0.012 174.908 174.900 -0.006 0.000 0.986 136 G CA -0.032 45.057 45.100 -0.018 0.000 0.643 136 G HN 0.611 nan 8.290 nan 0.000 0.522 137 I N 1.515 122.076 120.570 -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 1.043 39.080 38.000 0.062 0.000 1.403 137 I HN 0.059 nan 8.210 nan 0.000 0.484 138 K N 3.939 124.366 120.400 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 1.844 58.164 56.287 0.055 0.000 0.946 138 K CB -0.190 32.316 32.500 0.011 0.000 0.723 138 K HN 0.582 nan 8.250 nan 0.000 0.446 139 V N 0.910 120.852 119.914 0.047 0.000 2.219 139 V HA -0.286 3.834 4.120 0.000 0.000 0.248 139 V C 2.393 178.487 176.094 -0.000 0.000 1.053 139 V CA 2.062 64.368 62.300 0.010 0.000 1.009 139 V CB -1.064 30.777 31.823 0.029 0.000 0.636 139 V HN 0.098 nan 8.190 nan 0.000 0.445 140 V N 0.724 120.633 119.914 -0.008 0.000 2.231 140 V HA -0.326 3.794 4.120 0.000 0.000 0.248 140 V C 2.489 178.539 176.094 -0.073 0.000 1.054 140 V CA 2.569 64.819 62.300 -0.083 0.000 1.015 140 V CB -0.949 30.701 31.823 -0.287 0.000 0.638 140 V HN 0.557 nan 8.190 nan 0.000 0.444 141 D N -0.290 120.073 120.400 -0.062 0.000 2.106 141 D HA -0.185 4.455 4.640 0.000 0.000 0.191 141 D C 2.004 178.397 176.300 0.156 0.000 0.997 141 D CA 1.560 55.573 54.000 0.023 0.000 0.834 141 D CB -0.464 40.345 40.800 0.015 0.000 0.956 141 D HN 0.324 nan 8.370 nan 0.000 0.448 142 L N 0.374 121.661 121.223 0.107 0.000 1.970 142 L HA -0.147 4.193 4.340 0.000 0.000 0.212 142 L C 2.201 179.164 176.870 0.155 0.000 1.071 142 L CA 1.690 56.618 54.840 0.148 0.000 0.751 142 L CB -0.435 41.613 42.059 -0.019 0.000 0.889 142 L HN 0.038 nan 8.230 nan 0.000 0.432 143 L N -1.602 119.632 121.223 0.019 0.000 2.357 143 L HA 0.276 4.616 4.340 0.000 0.000 0.211 143 L C 0.874 177.735 176.870 -0.014 0.000 1.075 143 L CA 0.507 55.328 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 0.283 nan 8.230 nan 0.000 0.467 144 A N 0.370 123.204 122.820 0.022 0.000 3.410 144 A HA 0.455 4.775 4.320 0.000 0.000 0.276 144 A C -2.585 175.058 177.584 0.098 0.000 0.995 144 A CA -1.016 51.061 52.037 0.068 0.000 0.934 144 A CB -0.246 18.820 19.000 0.110 0.000 1.191 144 A HN -0.150 nan 8.150 nan 0.000 0.511 145 P HA 0.017 nan 4.420 nan 0.000 0.263 145 P C -0.600 176.822 177.300 0.204 0.000 1.175 145 P CA 0.754 63.892 63.100 0.063 0.000 0.761 145 P CB 0.239 31.970 31.700 0.051 0.000 0.794 146 Y N 1.141 121.474 120.300 0.056 0.000 2.298 146 Y HA 0.510 5.060 4.550 0.000 0.000 0.329 146 Y C 0.964 176.884 175.900 0.035 0.000 1.293 146 Y CA -1.663 56.463 58.100 0.043 0.000 1.388 146 Y CB 0.271 38.756 38.460 0.042 0.000 1.309 146 Y HN 0.370 nan 8.280 nan 0.000 0.544 147 A N 2.207 125.141 122.820 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 0.759 19.800 19.000 0.067 0.000 1.221 147 A HN 0.726 nan 8.150 nan 0.000 0.443 148 K N 0.969 121.404 120.400 0.058 0.000 2.511 148 K HA 0.295 4.615 4.320 0.000 0.000 0.280 148 K C 1.351 177.956 176.600 0.009 0.000 1.008 148 K CA 1.717 58.025 56.287 0.034 0.000 1.050 148 K CB 0.092 32.618 32.500 0.043 0.000 0.889 148 K HN 1.715 nan 8.250 nan 0.000 0.484 149 G N 2.303 111.092 108.800 -0.018 0.000 2.189 149 G HA2 -0.268 3.692 3.960 0.000 0.000 0.267 149 G HA3 -0.268 3.692 3.960 0.000 0.000 0.267 149 G C 0.430 175.308 174.900 -0.036 0.000 0.975 149 G CA 0.229 45.312 45.100 -0.029 0.000 0.644 149 G HN 0.904 nan 8.290 nan 0.000 0.537 150 G N -0.653 108.128 108.800 -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 -0.073 0.000 1.237 150 G CA -0.606 44.474 45.100 -0.034 0.000 0.978 150 G HN 0.375 nan 8.290 nan 0.000 0.498 151 K N 0.109 120.470 120.400 -0.064 0.000 2.240 151 K HA 0.429 4.749 4.320 0.000 0.000 0.271 151 K C -0.816 175.710 176.600 -0.123 0.000 1.018 151 K CA -0.159 56.073 56.287 -0.091 0.000 0.874 151 K CB 1.809 34.284 32.500 -0.043 0.000 1.098 151 K HN 0.250 nan 8.250 nan 0.000 0.458 152 I N 1.028 121.473 120.570 -0.208 0.000 2.493 152 I HA 0.403 4.573 4.170 0.000 0.000 0.298 152 I C 0.272 176.248 176.117 -0.235 0.000 0.998 152 I CA -0.666 60.453 61.300 -0.303 0.000 1.137 152 I CB 2.223 39.850 38.000 -0.620 0.000 1.310 152 I HN 0.630 nan 8.210 nan 0.000 0.445 153 G N 6.110 114.810 108.800 -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 -1.157 173.686 174.900 -0.095 0.000 1.387 153 G CA -0.502 44.484 45.100 -0.190 0.000 0.982 153 G HN 0.417 nan 8.290 nan 0.000 0.501 154 L N 2.303 123.442 121.223 -0.140 0.000 2.277 154 L HA 0.451 4.791 4.340 0.000 0.000 0.284 154 L C -0.777 176.059 176.870 -0.058 0.000 1.028 154 L CA -0.606 54.241 54.840 0.012 0.000 0.835 154 L CB 0.838 42.932 42.059 0.059 0.000 1.215 154 L HN 0.334 nan 8.230 nan 0.000 0.425 155 F N 1.510 121.447 119.950 -0.021 0.000 2.394 155 F HA 0.734 5.261 4.527 -0.000 0.000 0.340 155 F C 0.930 176.726 175.800 -0.008 0.000 1.105 155 F CA -0.251 57.719 58.000 -0.048 0.000 1.124 155 F CB 1.991 40.937 39.000 -0.090 0.000 1.145 155 F HN 0.443 nan 8.300 nan 0.000 0.505 156 G N 1.179 110.058 108.800 0.132 0.000 2.691 156 G HA2 0.476 4.436 3.960 0.000 0.000 0.298 156 G HA3 0.476 4.436 3.960 0.000 0.000 0.298 156 G C -0.718 174.167 174.900 -0.025 0.000 1.471 156 G CA -0.425 44.719 45.100 0.074 0.000 0.912 156 G HN 0.927 nan 8.290 nan 0.000 0.553 157 G N -0.336 108.426 108.800 -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 0.027 0.000 1.305 157 G CA 0.365 45.369 45.100 -0.161 0.000 1.010 157 G HN 1.696 nan 8.290 nan 0.000 0.509 158 A N -1.263 121.637 122.820 0.134 0.000 2.524 158 A HA 0.523 4.843 4.320 0.000 0.000 0.250 158 A C 1.433 179.090 177.584 0.121 0.000 1.078 158 A CA 0.968 53.139 52.037 0.224 0.000 0.761 158 A CB -0.611 18.532 19.000 0.238 0.000 1.012 158 A HN 2.557 nan 8.150 nan 0.000 0.500 159 G N 1.051 109.917 108.800 0.111 0.000 2.272 159 G HA2 -0.093 3.867 3.960 0.000 0.000 0.280 159 G HA3 -0.093 3.867 3.960 0.000 0.000 0.280 159 G C 0.473 175.420 174.900 0.078 0.000 1.067 159 G CA 0.789 45.931 45.100 0.070 0.000 0.902 159 G HN 2.132 nan 8.290 nan 0.000 0.500 160 V N -4.080 115.892 119.914 0.097 0.000 3.605 160 V HA 0.710 4.830 4.120 0.000 0.000 0.284 160 V C 1.686 177.878 176.094 0.163 0.000 1.386 160 V CA 1.021 63.395 62.300 0.124 0.000 1.053 160 V CB 0.384 32.260 31.823 0.088 0.000 0.857 160 V HN 2.075 nan 8.190 nan 0.000 0.436 161 G N 0.577 109.454 108.800 0.128 0.000 2.273 161 G HA2 -0.172 3.788 3.960 0.000 0.000 0.162 161 G HA3 -0.172 3.788 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 0.172 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 -0.112 4.208 4.320 0.000 0.000 0.214 162 K C 2.489 179.177 176.600 0.147 0.000 1.050 162 K CA 2.121 58.491 56.287 0.138 0.000 0.934 162 K CB -0.477 32.094 32.500 0.118 0.000 0.718 162 K HN 0.276 nan 8.250 nan 0.000 0.443 163 T N 1.268 115.906 114.554 0.139 0.000 2.746 163 T HA -0.099 4.251 4.350 0.000 0.000 0.267 163 T C 2.118 176.909 174.700 0.151 0.000 1.039 163 T CA 1.187 63.377 62.100 0.149 0.000 1.142 163 T CB -0.238 68.718 68.868 0.146 0.000 0.866 163 T HN -0.041 nan 8.240 nan 0.000 0.444 164 V N 1.511 121.521 119.914 0.159 0.000 2.287 164 V HA -0.131 3.989 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 1.415 63.839 62.300 0.207 0.000 1.027 164 V CB -0.672 31.289 31.823 0.230 0.000 0.646 164 V HN 0.333 nan 8.190 nan 0.000 0.447 165 L N -0.433 120.957 121.223 0.277 0.000 2.079 165 L HA -0.160 4.180 4.340 0.000 0.000 0.210 165 L C 2.093 179.042 176.870 0.132 0.000 1.081 165 L CA 1.852 56.854 54.840 0.270 0.000 0.752 165 L CB -0.423 41.821 42.059 0.308 0.000 0.896 165 L HN 0.243 nan 8.230 nan 0.000 0.433 166 I N -1.576 119.075 120.570 0.136 0.000 2.546 166 I HA -0.244 3.926 4.170 0.000 0.000 0.255 166 I C 1.951 178.059 176.117 -0.015 0.000 1.163 166 I CA 0.512 61.872 61.300 0.101 0.000 1.457 166 I CB 0.060 38.153 38.000 0.155 0.000 1.092 166 I HN 0.302 nan 8.210 nan 0.000 0.434 167 M N -0.334 119.272 119.600 0.010 0.000 2.156 167 M HA -0.184 4.296 4.480 0.000 0.000 0.264 167 M C 2.127 178.366 176.300 -0.101 0.000 1.067 167 M CA 1.562 56.835 55.300 -0.045 0.000 1.131 167 M CB -1.190 31.425 32.600 0.026 0.000 1.368 167 M HN 0.127 nan 8.290 nan 0.000 0.416 168 E N 0.183 120.294 120.200 -0.147 0.000 2.285 168 E HA -0.045 4.305 4.350 0.000 0.000 0.194 168 E C 1.936 178.408 176.600 -0.214 0.000 0.997 168 E CA 0.635 56.864 56.400 -0.286 0.000 0.845 168 E CB -0.066 29.178 29.700 -0.761 0.000 0.782 168 E HN 0.446 nan 8.360 nan 0.000 0.491 169 L N -0.090 121.060 121.223 -0.121 0.000 2.179 169 L HA 0.008 4.348 4.340 0.000 0.000 0.208 169 L C 2.157 179.022 176.870 -0.009 0.000 1.096 169 L CA 0.527 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 -0.048 120.419 120.570 -0.172 0.000 2.252 170 I HA -0.296 3.874 4.170 0.000 0.000 0.245 170 I C 2.258 178.327 176.117 -0.079 0.000 1.102 170 I CA 1.329 62.485 61.300 -0.240 0.000 1.385 170 I CB -0.178 37.583 38.000 -0.400 0.000 1.064 170 I HN 0.349 nan 8.210 nan 0.000 0.414 171 N N 1.209 119.856 118.700 -0.088 0.000 2.051 171 N HA -0.175 4.565 4.740 0.000 0.000 0.192 171 N C 1.439 176.930 175.510 -0.031 0.000 1.049 171 N CA 1.620 54.635 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 -0.874 117.800 118.700 -0.044 0.000 2.573 172 N HA -0.028 4.713 4.740 0.000 0.000 0.187 172 N C 0.552 176.078 175.510 0.027 0.000 1.107 172 N CA 0.488 53.525 53.050 -0.021 0.000 0.918 172 N CB 0.443 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 -1.387 118.565 119.914 0.064 0.000 3.359 173 V HA 0.242 4.362 4.120 0.000 0.000 0.204 173 V C 1.878 178.066 176.094 0.157 0.000 1.410 173 V CA 0.588 62.956 62.300 0.114 0.000 1.303 173 V CB -0.651 31.266 31.823 0.156 0.000 1.198 173 V HN 0.100 nan 8.190 nan 0.000 0.531 174 A N 0.552 123.484 122.820 0.187 0.000 1.883 174 A HA -0.229 4.091 4.320 0.000 0.000 0.217 174 A C 2.091 179.774 177.584 0.166 0.000 1.186 174 A CA 2.309 54.483 52.037 0.229 0.000 0.624 174 A CB -0.492 18.656 19.000 0.247 0.000 0.822 174 A HN 0.510 nan 8.150 nan 0.000 0.444 175 K N -0.598 119.857 120.400 0.093 0.000 2.103 175 K HA -0.125 4.195 4.320 0.000 0.000 0.207 175 K C 2.090 178.728 176.600 0.063 0.000 1.048 175 K CA 1.294 57.618 56.287 0.062 0.000 0.930 175 K CB -0.260 32.254 32.500 0.023 0.000 0.716 175 K HN 0.481 nan 8.250 nan 0.000 0.444 176 A N 0.582 123.446 122.820 0.074 0.000 2.081 176 A HA -0.058 4.262 4.320 0.000 0.000 0.214 176 A C 0.517 178.137 177.584 0.061 0.000 1.158 176 A CA 0.085 52.152 52.037 0.050 0.000 0.724 176 A CB -0.434 18.591 19.000 0.041 0.000 0.826 176 A HN 0.348 nan 8.150 nan 0.000 0.463 177 H N 0.752 119.831 119.070 0.015 0.000 3.214 177 H HA 0.227 4.783 4.556 0.000 0.000 0.291 177 H C 0.787 176.089 175.328 -0.043 0.000 0.926 177 H CA 0.522 56.570 56.048 -0.001 0.000 1.409 177 H CB 0.337 30.117 29.762 0.030 0.000 1.406 177 H HN 0.140 nan 8.280 nan 0.000 0.561 178 G N 3.794 112.218 108.800 -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 -0.108 174.315 174.900 -0.795 0.000 0.973 178 G CA 0.260 45.050 45.100 -0.517 0.000 1.257 178 G HN 0.937 nan 8.290 nan 0.000 0.456 179 G N 0.842 109.219 108.800 -0.705 0.000 2.324 179 G HA2 0.371 4.331 3.960 0.000 0.000 0.293 179 G HA3 0.371 4.331 3.960 0.000 0.000 0.293 179 G C -1.265 173.400 174.900 -0.393 0.000 1.297 179 G CA -0.961 43.789 45.100 -0.583 0.000 0.853 179 G HN 0.277 nan 8.290 nan 0.000 0.535 180 Y N 0.015 120.317 120.300 0.004 0.000 2.344 180 Y HA 0.759 5.309 4.550 0.000 0.000 0.330 180 Y C 1.076 177.041 175.900 0.108 0.000 1.330 180 Y CA -0.365 57.701 58.100 -0.056 0.000 1.479 180 Y CB 1.497 39.681 38.460 -0.459 0.000 1.428 180 Y HN 0.477 nan 8.280 nan 0.000 0.544 181 S N -0.207 115.668 115.700 0.290 0.000 2.540 181 S HA 0.691 5.161 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 0.260 0.000 0.907 181 S CB 1.858 65.257 63.200 0.333 0.000 1.081 181 S HN 0.299 nan 8.310 nan 0.000 0.476 182 V N 3.093 123.163 119.914 0.259 0.000 2.525 182 V HA 0.535 4.655 4.120 0.000 0.000 0.299 182 V C -1.391 174.855 176.094 0.254 0.000 1.034 182 V CA -0.625 61.816 62.300 0.235 0.000 0.863 182 V CB 1.362 33.283 31.823 0.163 0.000 0.999 182 V HN 0.848 nan 8.190 nan 0.000 0.423 183 F N 4.465 124.486 119.950 0.118 0.000 2.375 183 F HA 0.803 5.330 4.527 0.000 0.000 0.361 183 F C 0.281 176.012 175.800 -0.116 0.000 1.117 183 F CA -0.666 57.386 58.000 0.087 0.000 1.037 183 F CB 1.166 40.223 39.000 0.095 0.000 1.192 183 F HN 0.578 nan 8.300 nan 0.000 0.452 184 A N 4.658 127.241 122.820 -0.396 0.000 2.258 184 A HA 0.648 4.968 4.320 0.000 0.000 0.316 184 A C 0.104 177.393 177.584 -0.493 0.000 1.279 184 A CA -0.297 51.519 52.037 -0.369 0.000 0.876 184 A CB 0.129 18.964 19.000 -0.275 0.000 1.170 184 A HN 1.007 nan 8.150 nan 0.000 0.520 185 G N 1.399 109.886 108.800 -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 -0.591 174.255 174.900 -0.090 0.000 1.094 185 G CA -0.194 44.782 45.100 -0.206 0.000 0.953 185 G HN 0.709 nan 8.290 nan 0.000 0.420 186 V N 2.736 122.619 119.914 -0.052 0.000 2.334 186 V HA 0.582 4.702 4.120 0.000 0.000 0.281 186 V C 1.180 177.293 176.094 0.032 0.000 1.016 186 V CA 0.279 62.572 62.300 -0.013 0.000 0.832 186 V CB 0.734 32.537 31.823 -0.034 0.000 0.999 186 V HN 1.349 nan 8.190 nan 0.000 0.439 187 G N 3.328 112.156 108.800 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 0.214 175.149 174.900 0.058 0.000 1.021 187 G CA 0.472 45.597 45.100 0.042 0.000 0.798 187 G HN 0.599 nan 8.290 nan 0.000 0.507 188 E N -0.612 119.648 120.200 0.100 0.000 3.029 188 E HA 0.440 4.790 4.350 0.000 0.000 0.249 188 E C 0.960 177.625 176.600 0.109 0.000 1.089 188 E CA -0.872 55.594 56.400 0.109 0.000 1.089 188 E CB 0.461 30.249 29.700 0.147 0.000 1.428 188 E HN 0.392 nan 8.360 nan 0.000 0.555 189 R N 0.369 120.933 120.500 0.107 0.000 2.298 189 R HA 0.191 4.531 4.340 0.000 0.000 0.310 189 R C 1.150 177.490 176.300 0.068 0.000 1.068 189 R CA -0.002 56.145 56.100 0.078 0.000 0.957 189 R CB 0.404 30.745 30.300 0.069 0.000 1.003 189 R HN 0.409 nan 8.270 nan 0.000 0.454 190 T N 2.462 117.036 114.554 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 1.553 63.642 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 0.592 nan 8.240 nan 0.000 0.436 191 R N 1.163 121.663 120.500 -0.000 0.000 2.140 191 R HA -0.206 4.134 4.340 0.000 0.000 0.250 191 R C 2.125 178.428 176.300 0.005 0.000 1.150 191 R CA 2.120 58.225 56.100 0.008 0.000 0.966 191 R CB -0.242 30.075 30.300 0.029 0.000 0.869 191 R HN 0.510 nan 8.270 nan 0.000 0.445 192 E N -1.003 119.212 120.200 0.025 0.000 2.110 192 E HA -0.126 4.224 4.350 0.000 0.000 0.193 192 E C 1.914 178.509 176.600 -0.007 0.000 0.988 192 E CA 1.058 57.482 56.400 0.040 0.000 0.804 192 E CB -0.173 29.589 29.700 0.103 0.000 0.745 192 E HN 0.667 nan 8.360 nan 0.000 0.458 193 G N 0.935 109.677 108.800 -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 1.400 176.132 174.900 -0.279 0.000 1.140 193 G CA 0.806 45.689 45.100 -0.362 0.000 0.775 193 G HN 0.174 nan 8.290 nan 0.000 0.545 194 N N 0.337 118.932 118.700 -0.175 0.000 2.216 194 N HA -0.059 4.681 4.740 0.000 0.000 0.183 194 N C 1.634 177.158 175.510 0.023 0.000 1.017 194 N CA 1.234 54.242 53.050 -0.071 0.000 0.861 194 N CB 0.018 38.504 38.487 -0.001 0.000 0.986 194 N HN 0.077 nan 8.380 nan 0.000 0.428 195 D N 0.099 120.508 120.400 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 -0.015 121.180 121.223 -0.046 0.000 1.994 196 L HA -0.184 4.156 4.340 0.000 0.000 0.208 196 L C 2.276 179.123 176.870 -0.039 0.000 1.071 196 L CA 1.508 56.290 54.840 -0.097 0.000 0.745 196 L CB -0.846 41.070 42.059 -0.238 0.000 0.892 196 L HN 0.003 nan 8.230 nan 0.000 0.431 197 Y N 0.495 120.680 120.300 -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 2.409 60.378 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 -0.999 118.016 119.070 -0.091 0.000 2.489 198 H HA -0.101 4.455 4.556 0.000 0.000 0.293 198 H C 2.039 177.276 175.328 -0.152 0.000 1.066 198 H CA 1.160 57.089 56.048 -0.199 0.000 1.305 198 H CB 0.120 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 -0.273 119.922 120.200 -0.007 0.000 2.086 199 E HA -0.105 4.245 4.350 0.000 0.000 0.190 199 E C 1.793 178.359 176.600 -0.058 0.000 0.975 199 E CA 0.475 56.855 56.400 -0.033 0.000 0.813 199 E CB 0.225 29.901 29.700 -0.040 0.000 0.768 199 E HN 0.283 nan 8.360 nan 0.000 0.457 200 M N 0.214 119.770 119.600 -0.073 0.000 2.082 200 M HA -0.177 4.303 4.480 0.000 0.000 0.258 200 M C 2.222 178.476 176.300 -0.076 0.000 1.069 200 M CA 1.511 56.775 55.300 -0.060 0.000 1.102 200 M CB -0.849 31.732 32.600 -0.032 0.000 1.336 200 M HN 0.182 nan 8.290 nan 0.000 0.404 201 I N -0.221 120.264 120.570 -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 1.056 62.274 61.300 -0.137 0.000 1.332 201 I CB -0.467 37.404 38.000 -0.215 0.000 1.044 201 I HN 0.224 nan 8.210 nan 0.000 0.402 202 E N 0.701 120.862 120.200 -0.066 0.000 2.333 202 E HA -0.189 4.161 4.350 0.000 0.000 0.200 202 E C 1.788 178.363 176.600 -0.042 0.000 1.010 202 E CA 1.462 57.832 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 -2.237 113.439 115.700 -0.040 0.000 2.663 203 S HA 0.356 4.826 4.470 0.000 0.000 0.243 203 S C 1.375 175.961 174.600 -0.022 0.000 1.009 203 S CA 0.346 58.529 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 0.797 175.695 174.900 -0.004 0.000 0.982 204 G CA 0.559 45.649 45.100 -0.016 0.000 0.670 204 G HN 0.936 nan 8.290 nan 0.000 0.533 205 V N -0.560 119.353 119.914 -0.001 0.000 2.626 205 V HA 0.194 4.314 4.120 0.000 0.000 0.252 205 V C 1.590 177.705 176.094 0.036 0.000 1.067 205 V CA 1.485 63.800 62.300 0.024 0.000 1.081 205 V CB -0.246 31.597 31.823 0.033 0.000 0.686 205 V HN 0.506 nan 8.190 nan 0.000 0.468 206 I N 1.291 121.869 120.570 0.013 0.000 2.404 206 I HA 0.397 4.567 4.170 0.000 0.000 0.293 206 I C -0.462 175.653 176.117 -0.003 0.000 0.992 206 I CA -0.219 61.094 61.300 0.021 0.000 1.149 206 I CB 1.643 39.648 38.000 0.008 0.000 1.315 206 I HN 0.089 nan 8.210 nan 0.000 0.446 207 N N 6.651 125.361 118.700 0.016 0.000 2.442 207 N HA 0.367 5.107 4.740 0.000 0.000 0.274 207 N C 0.165 175.685 175.510 0.017 0.000 1.002 207 N CA -0.401 52.654 53.050 0.008 0.000 0.910 207 N CB 1.818 40.314 38.487 0.015 0.000 1.244 207 N HN 0.558 nan 8.380 nan 0.000 0.492 208 L N 2.152 123.380 121.223 0.007 0.000 2.509 208 L HA 0.133 4.473 4.340 0.000 0.000 0.222 208 L C 1.714 178.598 176.870 0.023 0.000 1.123 208 L CA 0.463 55.318 54.840 0.024 0.000 0.856 208 L CB 0.048 42.118 42.059 0.019 0.000 0.985 208 L HN 0.275 nan 8.230 nan 0.000 0.456 209 K N 0.032 120.441 120.400 0.015 0.000 2.276 209 K HA 0.103 4.423 4.320 0.000 0.000 0.198 209 K C 0.284 176.893 176.600 0.015 0.000 1.052 209 K CA 0.509 56.804 56.287 0.013 0.000 0.984 209 K CB 0.210 32.714 32.500 0.007 0.000 0.836 209 K HN 0.406 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 -0.510 175.804 176.300 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 -0.576 122.259 122.820 0.024 0.000 2.797 211 A HA 0.335 4.655 4.320 0.000 0.000 0.287 211 A C 0.932 178.539 177.584 0.038 0.000 1.369 211 A CA 0.206 52.261 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 -2.953 111.621 114.554 0.034 0.000 3.163 212 T HA 0.178 4.528 4.350 0.000 0.000 0.252 212 T C 0.554 175.284 174.700 0.049 0.000 1.056 212 T CA 0.067 62.189 62.100 0.036 0.000 0.947 212 T CB -0.349 68.532 68.868 0.020 0.000 1.016 212 T HN 0.156 nan 8.240 nan 0.000 0.554 213 S N 1.762 117.497 115.700 0.058 0.000 2.533 213 S HA 0.247 4.717 4.470 0.000 0.000 0.282 213 S C 0.792 175.459 174.600 0.112 0.000 1.304 213 S CA -0.378 57.865 58.200 0.073 0.000 1.063 213 S CB 0.852 64.094 63.200 0.070 0.000 0.881 213 S HN 0.413 nan 8.310 nan 0.000 0.493 214 K N 1.971 122.443 120.400 0.120 0.000 2.478 214 K HA 0.308 4.628 4.320 0.000 0.000 0.205 214 K C -1.131 175.590 176.600 0.202 0.000 1.033 214 K CA 0.091 56.484 56.287 0.177 0.000 1.091 214 K CB 0.576 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 0.935 120.951 119.914 0.170 0.000 2.655 215 V HA 0.405 4.525 4.120 0.000 0.000 0.301 215 V C -0.789 175.413 176.094 0.180 0.000 1.082 215 V CA -1.214 61.201 62.300 0.193 0.000 0.899 215 V CB 1.559 33.491 31.823 0.180 0.000 1.014 215 V HN 0.139 nan 8.190 nan 0.000 0.429 216 A N 5.560 128.504 122.820 0.206 0.000 2.303 216 A HA 0.967 5.287 4.320 0.000 0.000 0.317 216 A C -0.800 176.892 177.584 0.181 0.000 1.149 216 A CA -0.453 51.692 52.037 0.181 0.000 0.822 216 A CB 0.815 19.935 19.000 0.199 0.000 1.131 216 A HN 0.814 nan 8.150 nan 0.000 0.493 217 L N 1.678 122.994 121.223 0.154 0.000 2.362 217 L HA 0.698 5.039 4.340 0.000 0.000 0.271 217 L C -0.956 175.972 176.870 0.097 0.000 1.002 217 L CA -0.899 54.043 54.840 0.170 0.000 0.818 217 L CB 2.141 44.365 42.059 0.276 0.000 1.298 217 L HN 0.417 nan 8.230 nan 0.000 0.420 218 V N 1.794 121.686 119.914 -0.037 0.000 2.638 218 V HA 0.506 4.626 4.120 0.000 0.000 0.306 218 V C -1.411 174.534 176.094 -0.248 0.000 1.052 218 V CA -0.722 61.543 62.300 -0.059 0.000 0.885 218 V CB 1.991 33.766 31.823 -0.080 0.000 0.999 218 V HN 0.457 nan 8.190 nan 0.000 0.424 219 Y N 1.221 121.535 120.300 0.023 0.000 2.457 219 Y HA 0.731 5.281 4.550 0.000 0.000 0.343 219 Y C 0.536 176.444 175.900 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 3.571 112.465 108.800 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 -0.851 174.110 174.900 0.103 0.000 1.223 220 G CA -0.582 44.577 45.100 0.097 0.000 0.773 220 G HN 0.317 nan 8.290 nan 0.000 0.519 221 Q N 0.538 120.420 119.800 0.136 0.000 2.584 221 Q HA 0.205 4.545 4.340 0.000 0.000 0.218 221 Q C 1.823 177.860 176.000 0.062 0.000 1.079 221 Q CA -0.345 55.526 55.803 0.114 0.000 1.008 221 Q CB 0.726 29.535 28.738 0.118 0.000 1.267 221 Q HN 0.456 nan 8.270 nan 0.000 0.586 222 M N 0.766 120.396 119.600 0.051 0.000 2.530 222 M HA -0.195 4.285 4.480 0.000 0.000 0.261 222 M C 1.148 177.460 176.300 0.021 0.000 1.067 222 M CA 1.410 56.727 55.300 0.029 0.000 1.071 222 M CB -0.567 32.049 32.600 0.026 0.000 1.405 222 M HN 0.599 nan 8.290 nan 0.000 0.478 223 N N -0.565 118.149 118.700 0.023 0.000 2.322 223 N HA 0.039 4.779 4.740 0.000 0.000 0.194 223 N C -0.192 175.327 175.510 0.015 0.000 1.126 223 N CA -0.221 52.838 53.050 0.016 0.000 0.845 223 N CB 0.297 38.792 38.487 0.013 0.000 0.976 223 N HN 0.160 nan 8.380 nan 0.000 0.475 224 E N 1.568 121.779 120.200 0.018 0.000 2.250 224 E HA 0.354 4.704 4.350 0.000 0.000 0.269 224 E C -2.417 174.187 176.600 0.007 0.000 1.018 224 E CA -2.197 54.213 56.400 0.015 0.000 0.873 224 E CB 0.830 30.544 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 -1.130 61.970 63.100 0.000 0.000 0.786 225 P CB 0.080 31.781 31.700 0.003 0.000 0.927 226 P HA -0.321 nan 4.420 nan 0.000 0.219 226 P C 1.543 178.830 177.300 -0.022 0.000 1.161 226 P CA 2.470 65.553 63.100 -0.029 0.000 0.909 226 P CB -0.740 30.938 31.700 -0.036 0.000 0.793 227 G N 0.394 109.189 108.800 -0.008 0.000 2.529 227 G HA2 -0.312 3.648 3.960 0.000 0.000 0.219 227 G HA3 -0.312 3.648 3.960 0.000 0.000 0.219 227 G C 1.874 176.784 174.900 0.017 0.000 1.177 227 G CA 1.780 46.884 45.100 0.007 0.000 0.773 227 G HN 0.444 nan 8.290 nan 0.000 0.573 228 A N 0.448 123.278 122.820 0.016 0.000 1.902 228 A HA -0.025 4.295 4.320 0.000 0.000 0.217 228 A C 2.443 180.041 177.584 0.024 0.000 1.181 228 A CA 1.731 53.781 52.037 0.022 0.000 0.623 228 A CB -0.403 18.610 19.000 0.022 0.000 0.818 228 A HN 0.375 nan 8.150 nan 0.000 0.443 229 R N -0.759 119.748 120.500 0.013 0.000 2.148 229 R HA -0.011 4.329 4.340 0.000 0.000 0.227 229 R C 2.129 178.448 176.300 0.032 0.000 1.103 229 R CA 0.936 57.043 56.100 0.011 0.000 0.983 229 R CB -0.300 29.992 30.300 -0.014 0.000 0.874 229 R HN 0.507 nan 8.270 nan 0.000 0.451 230 A N 0.333 123.166 122.820 0.022 0.000 2.206 230 A HA 0.005 4.325 4.320 0.000 0.000 0.211 230 A C 1.666 179.369 177.584 0.199 0.000 1.158 230 A CA 0.674 52.742 52.037 0.052 0.000 0.761 230 A CB 0.145 19.121 19.000 -0.040 0.000 0.801 230 A HN 0.069 nan 8.150 nan 0.000 0.473 231 R N -1.137 119.428 120.500 0.109 0.000 2.310 231 R HA 0.065 4.405 4.340 0.000 0.000 0.199 231 R C 1.930 178.229 176.300 -0.003 0.000 0.891 231 R CA 1.253 57.388 56.100 0.059 0.000 1.060 231 R CB -0.872 29.448 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 -0.269 3.851 4.120 0.000 0.000 0.253 232 V C 2.483 178.526 176.094 -0.084 0.000 1.067 232 V CA 2.204 64.481 62.300 -0.037 0.000 1.047 232 V CB -1.516 30.288 31.823 -0.031 0.000 0.649 232 V HN 0.201 nan 8.190 nan 0.000 0.447 233 A N 0.660 123.427 122.820 -0.088 0.000 1.948 233 A HA -0.135 4.185 4.320 0.000 0.000 0.220 233 A C 2.282 179.748 177.584 -0.198 0.000 1.177 233 A CA 2.366 54.303 52.037 -0.168 0.000 0.636 233 A CB -0.641 18.220 19.000 -0.233 0.000 0.815 233 A HN 0.589 nan 8.150 nan 0.000 0.449 234 L N -1.151 119.961 121.223 -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 1.896 56.605 54.840 -0.218 0.000 0.745 234 L CB -1.279 40.619 42.059 -0.268 0.000 0.894 234 L HN 0.349 nan 8.230 nan 0.000 0.432 235 T N -0.029 114.439 114.554 -0.144 0.000 2.665 235 T HA -0.172 4.178 4.350 0.000 0.000 0.268 235 T C 1.818 176.443 174.700 -0.124 0.000 1.035 235 T CA 1.546 63.575 62.100 -0.119 0.000 1.151 235 T CB -0.661 68.157 68.868 -0.083 0.000 0.862 235 T HN 0.579 nan 8.240 nan 0.000 0.438 236 G N 1.596 110.319 108.800 -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 1.553 176.377 174.900 -0.128 0.000 1.183 236 G CA 1.164 46.189 45.100 -0.126 0.000 0.776 236 G HN 0.482 nan 8.290 nan 0.000 0.552 237 L N 0.810 121.942 121.223 -0.152 0.000 2.079 237 L HA -0.025 4.315 4.340 0.000 0.000 0.210 237 L C 2.772 179.563 176.870 -0.132 0.000 1.081 237 L CA 2.802 57.553 54.840 -0.149 0.000 0.752 237 L CB -0.973 40.979 42.059 -0.180 0.000 0.896 237 L HN 0.187 nan 8.230 nan 0.000 0.433 238 T N -0.894 113.576 114.554 -0.140 0.000 2.746 238 T HA -0.154 4.196 4.350 0.000 0.000 0.267 238 T C 1.975 176.582 174.700 -0.155 0.000 1.039 238 T CA 1.599 63.620 62.100 -0.132 0.000 1.142 238 T CB -0.428 68.362 68.868 -0.130 0.000 0.866 238 T HN 0.232 nan 8.240 nan 0.000 0.444 239 V N 1.796 121.604 119.914 -0.177 0.000 2.255 239 V HA -0.216 3.904 4.120 0.000 0.000 0.247 239 V C 2.912 178.825 176.094 -0.303 0.000 1.051 239 V CA 1.857 63.996 62.300 -0.269 0.000 1.018 239 V CB -1.252 30.459 31.823 -0.186 0.000 0.641 239 V HN 0.543 nan 8.190 nan 0.000 0.445 240 A N -0.346 122.399 122.820 -0.125 0.000 1.908 240 A HA -0.277 4.043 4.320 0.000 0.000 0.218 240 A C 2.116 179.678 177.584 -0.037 0.000 1.181 240 A CA 2.036 54.065 52.037 -0.014 0.000 0.627 240 A CB -0.552 18.446 19.000 -0.002 0.000 0.818 240 A HN 0.668 nan 8.150 nan 0.000 0.445 241 E N -1.757 118.398 120.200 -0.075 0.000 2.204 241 E HA -0.215 4.135 4.350 0.000 0.000 0.195 241 E C 1.740 178.306 176.600 -0.058 0.000 0.990 241 E CA 1.327 57.693 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 0.688 120.837 120.300 -0.251 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 -0.146 0.000 1.143 242 Y CA 1.585 59.517 58.100 -0.279 0.000 1.135 242 Y CB -0.291 37.870 38.460 -0.498 0.000 0.980 242 Y HN -0.076 nan 8.280 nan 0.000 0.499 243 F N 0.625 120.618 119.950 0.073 0.000 2.333 243 F HA -0.101 4.426 4.527 0.000 0.000 0.300 243 F C 2.627 178.400 175.800 -0.045 0.000 1.083 243 F CA 1.481 59.484 58.000 0.005 0.000 1.395 243 F CB -0.864 38.246 39.000 0.183 0.000 1.056 243 F HN 0.104 nan 8.300 nan 0.000 0.529 244 R N 0.245 120.799 120.500 0.090 0.000 2.062 244 R HA -0.089 4.251 4.340 0.000 0.000 0.226 244 R C 1.464 177.746 176.300 -0.030 0.000 1.125 244 R CA 1.687 57.810 56.100 0.039 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 -0.047 120.300 120.400 -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 0.665 54.602 54.000 -0.105 0.000 0.920 245 D CB -0.340 40.408 40.800 -0.086 0.000 1.063 245 D HN 0.080 nan 8.370 nan 0.000 0.465 246 Q N 0.612 120.222 119.800 -0.317 0.000 2.364 246 Q HA -0.061 4.279 4.340 0.000 0.000 0.209 246 Q C 1.300 177.088 176.000 -0.352 0.000 0.977 246 Q CA 0.959 56.523 55.803 -0.397 0.000 0.885 246 Q CB 0.093 28.415 28.738 -0.694 0.000 0.941 246 Q HN 0.556 nan 8.270 nan 0.000 0.464 247 E N -1.673 118.353 120.200 -0.290 0.000 2.421 247 E HA 0.193 4.543 4.350 0.000 0.000 0.209 247 E C 0.715 177.302 176.600 -0.021 0.000 0.871 247 E CA 0.422 56.770 56.400 -0.087 0.000 1.064 247 E CB 0.842 30.571 29.700 0.048 0.000 1.075 247 E HN 0.337 nan 8.360 nan 0.000 0.513 248 G N 2.442 111.227 108.800 -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 0.178 175.092 174.900 0.023 0.000 0.981 248 G CA 0.574 45.670 45.100 -0.006 0.000 0.665 248 G HN 0.221 nan 8.290 nan 0.000 0.528 249 Q N -0.383 119.457 119.800 0.068 0.000 2.407 249 Q HA 0.436 4.776 4.340 0.000 0.000 0.214 249 Q C -0.549 175.495 176.000 0.074 0.000 1.043 249 Q CA -0.437 55.405 55.803 0.065 0.000 0.983 249 Q CB 0.383 29.181 28.738 0.101 0.000 1.211 249 Q HN 0.217 nan 8.270 nan 0.000 0.564 250 D N 0.805 121.241 120.400 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 54.067 54.000 0.118 0.000 0.867 250 D CB 0.813 41.706 40.800 0.154 0.000 1.050 250 D HN 0.099 nan 8.370 nan 0.000 0.491 251 V N 2.887 122.874 119.914 0.122 0.000 2.716 251 V HA 0.437 4.557 4.120 0.000 0.000 0.304 251 V C 0.351 176.387 176.094 -0.098 0.000 1.053 251 V CA -0.899 61.462 62.300 0.101 0.000 0.984 251 V CB 1.683 33.598 31.823 0.153 0.000 1.021 251 V HN 0.344 nan 8.190 nan 0.000 0.467 252 L N 4.043 125.159 121.223 -0.178 0.000 2.325 252 L HA 0.503 4.843 4.340 0.000 0.000 0.281 252 L C -1.110 175.524 176.870 -0.392 0.000 1.004 252 L CA -0.578 54.017 54.840 -0.409 0.000 0.823 252 L CB 1.690 43.453 42.059 -0.493 0.000 1.236 252 L HN 0.424 nan 8.230 nan 0.000 0.415 253 L N 4.391 125.308 121.223 -0.509 0.000 2.305 253 L HA 0.587 4.927 4.340 0.000 0.000 0.284 253 L C -1.189 175.342 176.870 -0.564 0.000 1.013 253 L CA -0.015 54.595 54.840 -0.384 0.000 0.819 253 L CB 1.015 42.923 42.059 -0.251 0.000 1.227 253 L HN 0.179 nan 8.230 nan 0.000 0.417 254 F N 5.967 125.820 119.950 -0.162 0.000 2.444 254 F HA 0.618 5.145 4.527 -0.000 0.000 0.342 254 F C 0.008 175.458 175.800 -0.582 0.000 1.121 254 F CA -0.506 57.319 58.000 -0.293 0.000 0.997 254 F CB 1.445 40.358 39.000 -0.145 0.000 1.130 254 F HN 0.223 nan 8.300 nan 0.000 0.454 255 I N 2.674 123.054 120.570 -0.317 0.000 2.466 255 I HA 0.348 4.518 4.170 0.000 0.000 0.289 255 I C -1.426 174.514 176.117 -0.295 0.000 1.026 255 I CA -0.543 60.529 61.300 -0.379 0.000 1.078 255 I CB 2.156 40.003 38.000 -0.256 0.000 1.249 255 I HN 0.440 nan 8.210 nan 0.000 0.429 256 D N 5.903 126.118 120.400 -0.308 0.000 2.478 256 D HA 0.241 4.881 4.640 0.000 0.000 0.240 256 D C -1.476 174.811 176.300 -0.022 0.000 1.364 256 D CA -0.317 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 4.453 123.164 118.700 0.017 0.000 2.346 257 N HA 0.179 4.919 4.740 0.000 0.000 0.289 257 N C 0.605 176.144 175.510 0.049 0.000 1.027 257 N CA -0.520 52.556 53.050 0.043 0.000 0.864 257 N CB 1.598 40.162 38.487 0.127 0.000 1.370 257 N HN 0.327 nan 8.380 nan 0.000 0.481 258 I N 3.953 124.528 120.570 0.009 0.000 2.530 258 I HA -0.147 4.023 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 -0.649 37.307 38.000 -0.073 0.000 1.087 258 I HN 0.623 nan 8.210 nan 0.000 0.440 259 F N 1.671 121.651 119.950 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 1.572 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 -0.009 nan 8.300 nan 0.000 0.479 260 R N 0.204 120.644 120.500 -0.100 0.000 2.170 260 R HA -0.249 4.091 4.340 0.000 0.000 0.242 260 R C 2.183 178.376 176.300 -0.179 0.000 1.145 260 R CA 1.672 57.645 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 1.604 121.434 119.950 -0.200 0.000 2.146 261 F HA -0.139 4.388 4.527 0.000 0.000 0.298 261 F C 1.898 177.597 175.800 -0.167 0.000 1.096 261 F CA 1.612 59.522 58.000 -0.150 0.000 1.275 261 F CB -0.397 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 0.144 114.468 114.554 -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 -0.394 0.000 1.059 262 T CA 1.314 63.152 62.100 -0.436 0.000 1.137 262 T CB -0.266 68.504 68.868 -0.164 0.000 0.879 262 T HN 0.462 nan 8.240 nan 0.000 0.467 263 Q N 0.530 119.970 119.800 -0.601 0.000 2.172 263 Q HA 0.003 4.343 4.340 0.000 0.000 0.200 263 Q C 2.475 178.321 176.000 -0.257 0.000 0.964 263 Q CA 1.054 56.594 55.803 -0.438 0.000 0.855 263 Q CB -0.208 28.141 28.738 -0.649 0.000 0.918 263 Q HN 0.515 nan 8.270 nan 0.000 0.444 264 A N 0.786 123.438 122.820 -0.281 0.000 1.865 264 A HA -0.165 4.155 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 1.863 53.784 52.037 -0.194 0.000 0.623 264 A CB -1.474 17.424 19.000 -0.169 0.000 0.826 264 A HN 0.588 nan 8.150 nan 0.000 0.444 265 G N -0.405 108.227 108.800 -0.280 0.000 2.440 265 G HA2 -0.235 3.725 3.960 0.000 0.000 0.218 265 G HA3 -0.235 3.725 3.960 0.000 0.000 0.218 265 G C 2.002 176.827 174.900 -0.125 0.000 1.154 265 G CA 1.940 46.906 45.100 -0.225 0.000 0.767 265 G HN 0.939 nan 8.290 nan 0.000 0.552 266 S N 0.800 116.440 115.700 -0.100 0.000 2.419 266 S HA -0.093 4.377 4.470 0.000 0.000 0.233 266 S C 1.990 176.551 174.600 -0.065 0.000 1.016 266 S CA 1.715 59.886 58.200 -0.049 0.000 0.974 266 S CB -0.369 62.817 63.200 -0.023 0.000 0.786 266 S HN 0.610 nan 8.310 nan 0.000 0.492 267 E N 0.775 120.929 120.200 -0.076 0.000 2.268 267 E HA -0.046 4.304 4.350 0.000 0.000 0.195 267 E C 2.009 178.581 176.600 -0.046 0.000 0.995 267 E CA 1.356 57.721 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 -2.907 116.978 119.914 -0.048 0.000 3.621 268 V HA 0.117 4.237 4.120 0.000 0.000 0.263 268 V C 2.142 178.220 176.094 -0.027 0.000 1.272 268 V CA 0.487 62.767 62.300 -0.033 0.000 1.080 268 V CB 0.657 32.462 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 -0.330 4.140 4.470 0.000 0.000 0.234 269 S C 2.185 176.776 174.600 -0.014 0.000 1.063 269 S CA 2.849 61.036 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 1.255 124.066 122.820 -0.016 0.000 1.877 270 A HA 0.037 4.357 4.320 0.000 0.000 0.216 270 A C 2.120 179.700 177.584 -0.008 0.000 1.186 270 A CA 1.562 53.593 52.037 -0.011 0.000 0.620 270 A CB -0.838 18.154 19.000 -0.014 0.000 0.822 270 A HN 0.607 nan 8.150 nan 0.000 0.443 271 L N -0.674 120.544 121.223 -0.010 0.000 2.549 271 L HA -0.076 4.264 4.340 0.000 0.000 0.230 271 L C 1.567 178.436 176.870 -0.002 0.000 1.162 271 L CA 0.408 55.245 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 -0.228 120.994 121.223 -0.003 0.000 2.607 272 L HA 0.219 4.559 4.340 0.000 0.000 0.228 272 L C 1.113 177.986 176.870 0.004 0.000 1.123 272 L CA 0.082 54.923 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 1.514 110.316 108.800 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 44.910 45.100 0.004 0.000 1.003 273 G HN 0.374 nan 8.290 nan 0.000 0.503 274 R N -0.833 119.669 120.500 0.004 0.000 2.670 274 R HA 0.597 4.937 4.340 0.000 0.000 0.289 274 R C 0.478 176.783 176.300 0.008 0.000 0.965 274 R CA -1.126 54.978 56.100 0.007 0.000 0.899 274 R CB 1.611 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 4.286 124.863 120.570 0.011 0.000 2.556 275 I HA 0.084 4.254 4.170 0.000 0.000 0.284 275 I C -1.633 174.494 176.117 0.017 0.000 1.114 275 I CA -1.573 59.733 61.300 0.012 0.000 1.418 275 I CB 0.372 38.380 38.000 0.013 0.000 1.394 275 I HN 0.258 nan 8.210 nan 0.000 0.552 276 P HA 0.051 nan 4.420 nan 0.000 0.271 276 P C -0.278 177.044 177.300 0.038 0.000 1.218 276 P CA -0.174 62.939 63.100 0.022 0.000 0.780 276 P CB 1.128 32.833 31.700 0.008 0.000 0.901 277 S N 1.380 117.118 115.700 0.063 0.000 2.481 277 S HA 0.604 5.074 4.470 0.000 0.000 0.267 277 S C 0.275 174.929 174.600 0.090 0.000 1.174 277 S CA -0.239 58.007 58.200 0.077 0.000 1.027 277 S CB 0.024 63.284 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 0.507 4.827 4.320 0.000 0.000 0.261 278 A C 0.941 178.628 177.584 0.173 0.000 1.090 278 A CA 0.133 52.237 52.037 0.111 0.000 0.807 278 A CB -0.401 18.657 19.000 0.096 0.000 1.055 278 A HN 1.599 nan 8.150 nan 0.000 0.492 279 V N -0.184 119.805 119.914 0.125 0.000 3.292 279 V HA -0.322 3.798 4.120 0.000 0.000 0.184 279 V C 1.765 177.815 176.094 -0.073 0.000 0.459 279 V CA 1.851 64.213 62.300 0.102 0.000 1.088 279 V CB -2.510 29.463 31.823 0.251 0.000 1.239 279 V HN 2.884 nan 8.190 nan 0.000 1.148 280 G N -2.856 105.906 108.800 -0.063 0.000 2.241 280 G HA2 -0.345 3.615 3.960 0.000 0.000 0.244 280 G HA3 -0.345 3.615 3.960 0.000 0.000 0.244 280 G C -0.007 174.779 174.900 -0.191 0.000 0.998 280 G CA 0.244 45.252 45.100 -0.154 0.000 0.621 280 G HN 0.837 nan 8.290 nan 0.000 0.519 281 Y N 2.573 122.899 120.300 0.043 0.000 2.546 281 Y HA 0.326 4.876 4.550 -0.000 0.000 0.351 281 Y C 1.557 177.466 175.900 0.014 0.000 1.266 281 Y CA 0.502 58.622 58.100 0.033 0.000 1.487 281 Y CB 0.364 38.855 38.460 0.052 0.000 1.365 281 Y HN 0.490 nan 8.280 nan 0.000 0.642 282 Q N 2.976 122.884 119.800 0.181 0.000 2.354 282 Q HA 0.158 4.498 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 -1.868 53.986 55.803 0.085 0.000 0.885 282 Q CB 0.931 29.695 28.738 0.044 0.000 1.241 282 Q HN 0.355 nan 8.270 nan 0.000 0.461 283 P HA -0.073 nan 4.420 nan 0.000 0.230 283 P C 0.878 178.205 177.300 0.045 0.000 1.158 283 P CA 1.237 64.369 63.100 0.053 0.000 0.769 283 P CB -0.027 31.695 31.700 0.037 0.000 0.807 284 T N -4.282 110.295 114.554 0.039 0.000 3.145 284 T HA 0.174 4.524 4.350 0.000 0.000 0.255 284 T C 1.488 176.212 174.700 0.040 0.000 1.039 284 T CA -0.376 61.745 62.100 0.034 0.000 0.928 284 T CB -0.926 67.956 68.868 0.023 0.000 1.029 284 T HN -0.066 nan 8.240 nan 0.000 0.554 285 L N 1.341 122.589 121.223 0.042 0.000 1.976 285 L HA -0.174 4.166 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 -0.841 41.223 42.059 0.009 0.000 0.896 285 L HN 0.410 nan 8.230 nan 0.000 0.438 286 A N -0.785 122.073 122.820 0.064 0.000 1.877 286 A HA -0.249 4.071 4.320 0.000 0.000 0.216 286 A C 2.321 179.970 177.584 0.109 0.000 1.186 286 A CA 2.582 54.677 52.037 0.096 0.000 0.620 286 A CB -1.313 17.735 19.000 0.080 0.000 0.822 286 A HN 0.690 nan 8.150 nan 0.000 0.443 287 T N -2.262 112.341 114.554 0.082 0.000 2.821 287 T HA -0.139 4.211 4.350 0.000 0.000 0.267 287 T C 1.400 176.157 174.700 0.094 0.000 1.046 287 T CA 1.450 63.597 62.100 0.078 0.000 1.139 287 T CB -0.500 68.400 68.868 0.055 0.000 0.871 287 T HN 0.338 nan 8.240 nan 0.000 0.454 288 D N 0.843 121.308 120.400 0.108 0.000 2.149 288 D HA -0.048 4.592 4.640 0.000 0.000 0.198 288 D C 1.926 178.391 176.300 0.275 0.000 0.990 288 D CA 1.033 55.139 54.000 0.177 0.000 0.839 288 D CB -0.341 40.528 40.800 0.115 0.000 0.948 288 D HN 0.425 nan 8.370 nan 0.000 0.460 289 M N -0.057 119.675 119.600 0.220 0.000 2.236 289 M HA -0.011 4.469 4.480 0.000 0.000 0.266 289 M C 1.985 178.257 176.300 -0.047 0.000 1.070 289 M CA 1.619 57.012 55.300 0.156 0.000 1.137 289 M CB -0.032 32.660 32.600 0.154 0.000 1.378 289 M HN -0.009 nan 8.290 nan 0.000 0.426 290 G N -0.125 108.701 108.800 0.043 0.000 2.433 290 G HA2 -0.262 3.698 3.960 0.000 0.000 0.216 290 G HA3 -0.262 3.698 3.960 0.000 0.000 0.216 290 G C 1.393 176.279 174.900 -0.024 0.000 1.186 290 G CA 1.535 46.656 45.100 0.035 0.000 0.779 290 G HN 0.584 nan 8.290 nan 0.000 0.543 291 T N -1.634 112.925 114.554 0.007 0.000 2.977 291 T HA 0.007 4.357 4.350 0.000 0.000 0.271 291 T C 2.120 176.783 174.700 -0.063 0.000 1.105 291 T CA 1.503 63.600 62.100 -0.005 0.000 1.116 291 T CB -0.048 68.838 68.868 0.029 0.000 0.878 291 T HN 0.295 nan 8.240 nan 0.000 0.509 292 M N -0.139 119.380 119.600 -0.135 0.000 2.369 292 M HA 0.066 4.546 4.480 0.000 0.000 0.254 292 M C 2.380 178.515 176.300 -0.275 0.000 1.136 292 M CA 0.732 55.878 55.300 -0.257 0.000 1.190 292 M CB -0.010 32.289 32.600 -0.503 0.000 1.289 292 M HN -0.006 nan 8.290 nan 0.000 0.468 293 Q N 0.897 120.483 119.800 -0.357 0.000 2.217 293 Q HA -0.203 4.137 4.340 0.000 0.000 0.209 293 Q C 1.591 177.459 176.000 -0.220 0.000 0.988 293 Q CA 1.418 56.987 55.803 -0.391 0.000 0.878 293 Q CB -0.485 27.739 28.738 -0.858 0.000 0.909 293 Q HN 0.589 nan 8.270 nan 0.000 0.424 294 E N 0.021 120.135 120.200 -0.142 0.000 2.418 294 E HA -0.089 4.261 4.350 0.000 0.000 0.197 294 E C 1.724 178.294 176.600 -0.050 0.000 1.026 294 E CA 0.375 56.748 56.400 -0.044 0.000 0.862 294 E CB 0.066 29.770 29.700 0.008 0.000 0.799 294 E HN 0.349 nan 8.360 nan 0.000 0.518 295 R N 0.006 120.454 120.500 -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 0.232 30.475 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 -0.018 4.152 4.170 0.000 0.000 0.305 296 I C -0.015 176.049 176.117 -0.088 0.000 1.196 296 I CA 0.563 61.790 61.300 -0.121 0.000 1.613 296 I CB -0.131 37.774 38.000 -0.158 0.000 1.501 296 I HN 0.011 nan 8.210 nan 0.000 0.754 297 T N 2.833 117.346 114.554 -0.068 0.000 2.885 297 T HA 0.255 4.605 4.350 0.000 0.000 0.322 297 T C -0.339 174.336 174.700 -0.041 0.000 1.387 297 T CA -0.377 61.695 62.100 -0.048 0.000 1.041 297 T CB 1.659 70.511 68.868 -0.027 0.000 1.287 297 T HN 0.270 nan 8.240 nan 0.000 0.491 298 T N 3.281 117.813 114.554 -0.035 0.000 2.897 298 T HA 0.598 4.948 4.350 0.000 0.000 0.294 298 T C 0.550 175.233 174.700 -0.028 0.000 1.004 298 T CA -0.206 61.876 62.100 -0.030 0.000 1.106 298 T CB 0.855 69.707 68.868 -0.027 0.000 0.949 298 T HN 0.872 nan 8.240 nan 0.000 0.520 299 T N -0.109 114.428 114.554 -0.027 0.000 2.676 299 T HA 0.476 4.826 4.350 0.000 0.000 0.269 299 T C 0.926 175.607 174.700 -0.032 0.000 0.952 299 T CA -0.991 61.090 62.100 -0.032 0.000 1.040 299 T CB 1.314 70.164 68.868 -0.030 0.000 1.352 299 T HN 0.390 nan 8.240 nan 0.000 0.554 300 K N 0.064 120.442 120.400 -0.036 0.000 2.243 300 K HA 0.126 4.447 4.320 0.000 0.000 0.201 300 K C 2.191 178.776 176.600 -0.026 0.000 1.051 300 K CA 0.475 56.742 56.287 -0.033 0.000 0.970 300 K CB 0.008 32.485 32.500 -0.039 0.000 0.755 300 K HN 0.430 nan 8.250 nan 0.000 0.465 301 K N 0.537 120.921 120.400 -0.026 0.000 2.001 301 K HA -0.033 4.287 4.320 0.000 0.000 0.208 301 K C 1.227 177.816 176.600 -0.018 0.000 1.048 301 K CA 1.156 57.428 56.287 -0.024 0.000 0.932 301 K CB 0.078 32.560 32.500 -0.030 0.000 0.715 301 K HN 0.167 nan 8.250 nan 0.000 0.437 302 G N -0.560 108.232 108.800 -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 0.014 nan 8.290 nan 0.000 0.487 303 S N -0.908 114.799 115.700 0.011 0.000 2.521 303 S HA 0.732 5.202 4.470 0.000 0.000 0.295 303 S C -0.789 173.808 174.600 -0.005 0.000 1.098 303 S CA -0.686 57.515 58.200 0.001 0.000 0.999 303 S CB 0.754 63.959 63.200 0.009 0.000 1.034 303 S HN 0.442 nan 8.310 nan 0.000 0.483 304 I N 3.247 123.797 120.570 -0.033 0.000 2.474 304 I HA 0.372 4.542 4.170 0.000 0.000 0.294 304 I C -0.452 175.603 176.117 -0.104 0.000 1.005 304 I CA -0.587 60.674 61.300 -0.065 0.000 1.113 304 I CB 2.505 40.463 38.000 -0.070 0.000 1.289 304 I HN 0.518 nan 8.210 nan 0.000 0.436 305 T N 3.500 117.954 114.554 -0.166 0.000 3.060 305 T HA 0.247 4.597 4.350 0.000 0.000 0.367 305 T C -0.190 174.323 174.700 -0.312 0.000 1.229 305 T CA -0.652 61.327 62.100 -0.202 0.000 1.104 305 T CB 0.523 69.273 68.868 -0.197 0.000 1.083 305 T HN 0.599 nan 8.240 nan 0.000 0.524 306 S N 1.919 117.461 115.700 -0.264 0.000 2.499 306 S HA 0.594 5.064 4.470 0.000 0.000 0.279 306 S C 0.025 174.445 174.600 -0.300 0.000 1.219 306 S CA -0.836 57.184 58.200 -0.300 0.000 1.062 306 S CB 1.277 64.347 63.200 -0.216 0.000 0.978 306 S HN 0.385 nan 8.310 nan 0.000 0.489 307 V N 3.865 123.586 119.914 -0.321 0.000 2.326 307 V HA 0.351 4.471 4.120 0.000 0.000 0.281 307 V C -0.352 175.672 176.094 -0.116 0.000 1.015 307 V CA -0.482 61.709 62.300 -0.182 0.000 0.823 307 V CB 0.930 32.768 31.823 0.025 0.000 1.009 307 V HN 0.902 nan 8.190 nan 0.000 0.436 308 Q N 3.102 122.809 119.800 -0.154 0.000 2.322 308 Q HA 0.742 5.082 4.340 0.000 0.000 0.265 308 Q C -0.140 175.771 176.000 -0.149 0.000 0.985 308 Q CA -0.522 55.186 55.803 -0.158 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 3.568 126.331 122.820 -0.096 0.000 2.363 309 A HA 0.577 4.897 4.320 0.000 0.000 0.270 309 A C -0.425 177.094 177.584 -0.108 0.000 1.121 309 A CA -0.281 51.718 52.037 -0.064 0.000 0.800 309 A CB 0.214 19.225 19.000 0.019 0.000 1.052 309 A HN 0.754 nan 8.150 nan 0.000 0.493 310 I N 2.555 123.013 120.570 -0.187 0.000 2.468 310 I HA 0.172 4.342 4.170 0.000 0.000 0.284 310 I C -0.786 175.286 176.117 -0.075 0.000 1.038 310 I CA -0.479 60.684 61.300 -0.229 0.000 1.083 310 I CB 1.311 38.849 38.000 -0.769 0.000 1.223 310 I HN 0.753 nan 8.210 nan 0.000 0.443 311 Y N 7.135 127.394 120.300 -0.069 0.000 2.397 311 Y HA 0.375 4.925 4.550 -0.000 0.000 0.335 311 Y C -0.363 175.357 175.900 -0.300 0.000 1.213 311 Y CA -0.043 57.952 58.100 -0.175 0.000 1.391 311 Y CB 0.961 39.263 38.460 -0.264 0.000 1.293 311 Y HN 0.263 nan 8.280 nan 0.000 0.557 312 V N 8.702 128.039 119.914 -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 -0.982 0.000 1.020 312 V CA -2.083 59.804 62.300 -0.687 0.000 0.811 312 V CB 0.918 32.592 31.823 -0.248 0.000 1.031 312 V HN 0.719 nan 8.190 nan 0.000 0.439 313 P HA 0.061 nan 4.420 nan 0.000 0.262 313 P C 0.772 177.956 177.300 -0.194 0.000 1.182 313 P CA 0.997 63.853 63.100 -0.406 0.000 0.761 313 P CB 0.632 32.311 31.700 -0.036 0.000 0.795 314 A N 3.603 126.367 122.820 -0.094 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 1.475 53.487 52.037 -0.041 0.000 0.909 314 A CB -2.524 16.474 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 -0.140 0.000 3.046 315 D HA -0.169 4.471 4.640 0.000 0.000 0.210 315 D C -0.182 176.076 176.300 -0.070 0.000 1.124 315 D CA 1.945 55.881 54.000 -0.106 0.000 0.986 315 D CB -1.142 39.625 40.800 -0.056 0.000 1.118 315 D HN 0.897 nan 8.370 nan 0.000 0.416 316 D N 0.414 120.777 120.400 -0.063 0.000 2.422 316 D HA 0.181 4.821 4.640 0.000 0.000 0.227 316 D C 1.544 177.841 176.300 -0.005 0.000 1.190 316 D CA -0.299 53.686 54.000 -0.025 0.000 0.905 316 D CB 0.183 40.981 40.800 -0.002 0.000 1.034 316 D HN 0.152 nan 8.370 nan 0.000 0.507 317 L N 2.680 123.906 121.223 0.004 0.000 2.447 317 L HA -0.162 4.178 4.340 0.000 0.000 0.225 317 L C 2.281 179.186 176.870 0.057 0.000 1.148 317 L CA 1.400 56.272 54.840 0.053 0.000 0.808 317 L CB -0.296 41.777 42.059 0.024 0.000 0.928 317 L HN 0.472 nan 8.230 nan 0.000 0.448 318 T N -5.147 109.418 114.554 0.018 0.000 3.100 318 T HA -0.051 4.299 4.350 0.000 0.000 0.253 318 T C 0.811 175.544 174.700 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 68.572 68.868 -0.009 0.000 0.953 318 T HN 0.210 nan 8.240 nan 0.000 0.515 319 D N 3.167 123.612 120.400 0.074 0.000 2.583 319 D HA -0.020 4.620 4.640 0.000 0.000 0.232 319 D C -1.305 175.037 176.300 0.070 0.000 1.128 319 D CA -1.082 52.986 54.000 0.113 0.000 0.859 319 D CB 1.290 42.166 40.800 0.126 0.000 1.169 319 D HN 0.042 nan 8.370 nan 0.000 0.481 320 P HA -0.245 nan 4.420 nan 0.000 0.219 320 P C 0.787 177.974 177.300 -0.189 0.000 1.153 320 P CA 2.036 65.070 63.100 -0.110 0.000 0.865 320 P CB 0.115 31.702 31.700 -0.187 0.000 0.788 321 A N -0.439 122.216 122.820 -0.275 0.000 1.832 321 A HA -0.045 4.275 4.320 0.000 0.000 0.214 321 A C -0.067 177.600 177.584 0.139 0.000 1.204 321 A CA 1.831 53.828 52.037 -0.066 0.000 0.606 321 A CB -2.064 17.000 19.000 0.107 0.000 0.849 321 A HN 0.194 nan 8.150 nan 0.000 0.445 322 P HA -0.170 nan 4.420 nan 0.000 0.215 322 P C 1.704 179.292 177.300 0.480 0.000 1.157 322 P CA 2.245 65.555 63.100 0.351 0.000 0.868 322 P CB -0.282 31.626 31.700 0.347 0.000 0.788 323 A N -0.357 122.690 122.820 0.379 0.000 1.892 323 A HA -0.219 4.101 4.320 0.000 0.000 0.218 323 A C 2.335 180.123 177.584 0.339 0.000 1.188 323 A CA 2.847 55.098 52.037 0.357 0.000 0.631 323 A CB -2.076 17.005 19.000 0.135 0.000 0.822 323 A HN 0.220 nan 8.150 nan 0.000 0.447 324 T N -0.338 114.343 114.554 0.211 0.000 2.962 324 T HA -0.057 4.293 4.350 0.000 0.000 0.270 324 T C 1.697 176.542 174.700 0.243 0.000 1.088 324 T CA 1.704 63.909 62.100 0.175 0.000 1.127 324 T CB -0.335 68.601 68.868 0.112 0.000 0.883 324 T HN 0.606 nan 8.240 nan 0.000 0.493 325 T N 1.210 115.940 114.554 0.293 0.000 3.043 325 T HA 0.146 4.496 4.350 0.000 0.000 0.263 325 T C 1.439 176.302 174.700 0.272 0.000 1.094 325 T CA 0.193 62.462 62.100 0.281 0.000 1.127 325 T CB -0.338 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 2.397 122.517 119.950 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 1.152 59.270 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 -1.229 121.669 122.820 0.129 0.000 2.076 327 A HA -0.201 4.119 4.320 0.000 0.000 0.220 327 A C 1.610 179.089 177.584 -0.174 0.000 1.160 327 A CA 1.517 53.511 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 -1.148 117.974 119.070 0.088 0.000 2.533 328 H HA 0.334 4.890 4.556 -0.000 0.000 0.271 328 H C -0.128 175.212 175.328 0.021 0.000 1.000 328 H CA 0.258 56.328 56.048 0.037 0.000 1.149 328 H CB -0.136 29.629 29.762 0.005 0.000 1.375 328 H HN 0.363 nan 8.280 nan 0.000 0.582 329 L N -0.001 121.293 121.223 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 1.931 44.047 42.059 0.095 0.000 1.316 329 L HN -0.133 nan 8.230 nan 0.000 0.432 330 D N 0.638 121.061 120.400 0.039 0.000 2.388 330 D HA 0.240 4.880 4.640 0.000 0.000 0.208 330 D C 0.149 176.484 176.300 0.059 0.000 1.035 330 D CA 0.498 54.524 54.000 0.044 0.000 0.875 330 D CB 1.272 42.088 40.800 0.027 0.000 0.984 330 D HN 0.515 nan 8.370 nan 0.000 0.508 331 A N 0.608 123.458 122.820 0.050 0.000 2.486 331 A HA 0.589 4.909 4.320 0.000 0.000 0.300 331 A C -0.572 177.071 177.584 0.098 0.000 1.048 331 A CA -0.560 51.531 52.037 0.090 0.000 0.696 331 A CB 1.821 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 -0.719 174.127 174.700 0.243 0.000 1.013 332 T CA -0.428 61.806 62.100 0.223 0.000 0.990 332 T CB 1.542 70.582 68.868 0.287 0.000 1.023 332 T HN 0.541 nan 8.240 nan 0.000 0.447 333 T N 3.296 118.011 114.554 0.270 0.000 2.821 333 T HA 0.473 4.823 4.350 0.000 0.000 0.307 333 T C -0.133 174.719 174.700 0.254 0.000 1.034 333 T CA -0.485 61.771 62.100 0.259 0.000 0.953 333 T CB 0.692 69.743 68.868 0.305 0.000 0.968 333 T HN 0.662 nan 8.240 nan 0.000 0.462 334 V N 5.676 125.707 119.914 0.196 0.000 2.385 334 V HA 0.329 4.449 4.120 0.000 0.000 0.269 334 V C -0.111 176.062 176.094 0.133 0.000 1.043 334 V CA -0.756 61.650 62.300 0.178 0.000 0.906 334 V CB 0.628 32.510 31.823 0.098 0.000 0.995 334 V HN 0.616 nan 8.190 nan 0.000 0.467 335 L N 4.477 125.784 121.223 0.140 0.000 2.379 335 L HA 0.645 4.985 4.340 0.000 0.000 0.269 335 L C 0.357 177.263 176.870 0.060 0.000 1.084 335 L CA 0.571 55.469 54.840 0.098 0.000 0.802 335 L CB 1.727 43.856 42.059 0.117 0.000 1.175 335 L HN 0.724 nan 8.230 nan 0.000 0.448 336 S N 1.755 117.471 115.700 0.025 0.000 2.571 336 S HA 0.418 4.888 4.470 0.000 0.000 0.284 336 S C 0.695 175.284 174.600 -0.018 0.000 1.128 336 S CA -0.780 57.422 58.200 0.003 0.000 0.970 336 S CB 1.203 64.398 63.200 -0.008 0.000 1.039 336 S HN 0.711 nan 8.310 nan 0.000 0.485 337 R N 3.128 123.621 120.500 -0.012 0.000 2.189 337 R HA 0.004 4.344 4.340 0.000 0.000 0.223 337 R C 1.774 178.053 176.300 -0.035 0.000 1.092 337 R CA 1.625 57.715 56.100 -0.015 0.000 0.989 337 R CB -0.588 29.712 30.300 -0.001 0.000 0.876 337 R HN 0.745 nan 8.270 nan 0.000 0.457 338 A N 0.850 123.649 122.820 -0.035 0.000 1.968 338 A HA -0.032 4.288 4.320 0.000 0.000 0.217 338 A C 2.011 179.561 177.584 -0.057 0.000 1.169 338 A CA 0.914 52.928 52.037 -0.040 0.000 0.638 338 A CB -0.210 18.770 19.000 -0.034 0.000 0.812 338 A HN 0.337 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 -0.159 4.011 4.170 0.000 0.000 0.241 339 I C 2.991 178.997 176.117 -0.185 0.000 1.085 339 I CA 0.842 62.083 61.300 -0.097 0.000 1.378 339 I CB -0.480 37.471 38.000 -0.082 0.000 1.076 339 I HN 0.311 nan 8.210 nan 0.000 0.415 340 A N 0.585 123.259 122.820 -0.243 0.000 1.927 340 A HA -0.334 3.986 4.320 0.000 0.000 0.220 340 A C 2.281 179.699 177.584 -0.276 0.000 1.185 340 A CA 2.343 54.113 52.037 -0.444 0.000 0.639 340 A CB -0.895 17.977 19.000 -0.213 0.000 0.820 340 A HN 0.550 nan 8.150 nan 0.000 0.451 341 E N -0.302 119.824 120.200 -0.122 0.000 2.209 341 E HA -0.166 4.184 4.350 0.000 0.000 0.196 341 E C 1.552 178.117 176.600 -0.057 0.000 0.993 341 E CA 1.019 57.386 56.400 -0.054 0.000 0.819 341 E CB -0.190 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 0.141 4.481 4.340 0.000 0.000 0.226 342 L C 1.430 178.256 176.870 -0.073 0.000 1.137 342 L CA 0.518 55.313 54.840 -0.074 0.000 0.863 342 L CB 0.092 42.107 42.059 -0.073 0.000 0.985 342 L HN 0.401 nan 8.230 nan 0.000 0.451 343 G N 0.685 109.431 108.800 -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 0.169 175.093 174.900 0.039 0.000 0.990 343 G CA -0.519 44.603 45.100 0.036 0.000 0.671 343 G HN 0.177 nan 8.290 nan 0.000 0.521 344 I N 1.319 121.779 120.570 -0.183 0.000 2.287 344 I HA 0.406 4.576 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 -0.473 60.773 61.300 -0.090 0.000 1.237 344 I CB -0.045 37.922 38.000 -0.055 0.000 1.418 344 I HN 0.043 nan 8.210 nan 0.000 0.481 345 Y N 7.200 127.464 120.300 -0.060 0.000 2.429 345 Y HA 0.433 4.983 4.550 0.000 0.000 0.342 345 Y C -2.004 173.696 175.900 -0.333 0.000 1.004 345 Y CA -2.762 55.227 58.100 -0.185 0.000 1.075 345 Y CB 1.487 39.817 38.460 -0.216 0.000 1.214 345 Y HN 0.389 nan 8.280 nan 0.000 0.455 346 P HA 0.072 nan 4.420 nan 0.000 0.268 346 P C -0.440 176.846 177.300 -0.024 0.000 1.205 346 P CA -0.120 62.926 63.100 -0.090 0.000 0.771 346 P CB 0.888 32.585 31.700 -0.004 0.000 0.858 347 A N 3.814 126.626 122.820 -0.012 0.000 2.810 347 A HA 0.179 4.499 4.320 0.000 0.000 0.247 347 A C 0.578 178.161 177.584 -0.002 0.000 1.576 347 A CA -0.210 51.773 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 0.824 120.757 119.914 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 1.225 33.096 31.823 0.080 0.000 0.972 348 V HN 0.592 nan 8.190 nan 0.000 0.484 349 D N 6.579 126.998 120.400 0.033 0.000 2.380 349 D HA 0.241 4.881 4.640 0.000 0.000 0.230 349 D C -1.280 175.026 176.300 0.010 0.000 1.154 349 D CA -2.173 51.834 54.000 0.013 0.000 0.859 349 D CB 1.743 42.550 40.800 0.012 0.000 1.045 349 D HN 0.241 nan 8.370 nan 0.000 0.495 350 P HA -0.106 nan 4.420 nan 0.000 0.221 350 P C 0.993 178.276 177.300 -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 -1.376 119.835 121.223 -0.021 0.000 2.769 351 L HA 0.304 4.644 4.340 0.000 0.000 0.240 351 L C 1.083 177.937 176.870 -0.028 0.000 1.163 351 L CA 0.289 55.112 54.840 -0.028 0.000 0.962 351 L CB -0.135 41.906 42.059 -0.029 0.000 1.258 351 L HN -0.170 nan 8.230 nan 0.000 0.513 352 D N -1.010 119.381 120.400 -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 0.194 54.184 54.000 -0.017 0.000 0.800 352 D CB 0.807 41.592 40.800 -0.026 0.000 1.111 352 D HN -0.098 nan 8.370 nan 0.000 0.508 353 S N -0.204 115.515 115.700 0.032 0.000 2.475 353 S HA 0.727 5.197 4.470 0.000 0.000 0.298 353 S C -0.141 174.497 174.600 0.064 0.000 1.119 353 S CA -0.521 57.723 58.200 0.073 0.000 1.085 353 S CB 1.741 64.990 63.200 0.082 0.000 1.028 353 S HN 0.312 nan 8.310 nan 0.000 0.489 354 T N -0.827 113.785 114.554 0.095 0.000 2.864 354 T HA 0.796 5.146 4.350 0.000 0.000 0.299 354 T C -0.823 173.938 174.700 0.102 0.000 1.166 354 T CA -0.820 61.324 62.100 0.074 0.000 1.007 354 T CB 1.805 70.708 68.868 0.058 0.000 1.219 354 T HN 0.437 nan 8.240 nan 0.000 0.506 355 S N -0.720 115.028 115.700 0.080 0.000 2.540 355 S HA 0.439 4.909 4.470 0.000 0.000 0.275 355 S C 0.606 175.246 174.600 0.067 0.000 1.123 355 S CA -0.830 57.425 58.200 0.091 0.000 0.907 355 S CB 1.953 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 3.007 123.547 120.500 0.066 0.000 2.280 356 R HA 0.106 4.446 4.340 0.000 0.000 0.207 356 R C 1.412 177.740 176.300 0.048 0.000 1.043 356 R CA 1.498 57.630 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 -2.432 118.166 120.570 0.047 0.000 3.875 357 I HA 0.188 4.358 4.170 0.000 0.000 0.329 357 I C 0.241 176.373 176.117 0.024 0.000 1.295 357 I CA -0.242 61.079 61.300 0.034 0.000 1.129 357 I CB 0.275 38.294 38.000 0.032 0.000 1.008 357 I HN -0.057 nan 8.210 nan 0.000 0.413 358 M N 3.262 122.884 119.600 0.037 0.000 3.442 358 M HA 0.226 4.706 4.480 0.000 0.000 0.232 358 M C -0.738 175.697 176.300 0.226 0.000 1.508 358 M CA 0.675 56.007 55.300 0.053 0.000 1.647 358 M CB -1.329 31.269 32.600 -0.003 0.000 1.126 358 M HN 0.247 nan 8.290 nan 0.000 0.557 359 D N 2.443 122.938 120.400 0.158 0.000 2.787 359 D HA 0.390 5.030 4.640 0.000 0.000 0.246 359 D C -2.045 174.239 176.300 -0.026 0.000 1.150 359 D CA -1.716 52.322 54.000 0.062 0.000 0.864 359 D CB 2.635 43.444 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 0.909 178.153 177.300 -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 31.754 31.700 -0.433 0.000 0.787 361 N N -0.837 117.807 118.700 -0.093 0.000 2.520 361 N HA -0.017 4.723 4.740 0.000 0.000 0.185 361 N C 1.496 176.999 175.510 -0.013 0.000 1.068 361 N CA 0.619 53.643 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 -0.677 119.891 120.570 -0.003 0.000 3.812 362 I HA -0.060 4.110 4.170 0.000 0.000 0.292 362 I C 1.823 177.961 176.117 0.034 0.000 1.206 362 I CA 0.389 61.698 61.300 0.016 0.000 1.370 362 I CB 0.323 38.332 38.000 0.015 0.000 1.328 362 I HN -0.087 nan 8.210 nan 0.000 0.453 363 V N -1.287 118.647 119.914 0.034 0.000 3.644 363 V HA 0.600 4.720 4.120 0.000 0.000 0.267 363 V C 0.843 177.025 176.094 0.147 0.000 1.277 363 V CA 0.297 62.639 62.300 0.071 0.000 1.096 363 V CB -0.479 31.265 31.823 -0.133 0.000 0.828 363 V HN 0.455 nan 8.190 nan 0.000 0.446 364 G N 0.906 109.769 108.800 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 0.289 175.279 174.900 0.150 0.000 1.246 364 G CA 0.053 45.219 45.100 0.109 0.000 0.795 364 G HN 1.058 nan 8.290 nan 0.000 0.627 365 S N -0.469 115.294 115.700 0.106 0.000 2.428 365 S HA -0.031 4.439 4.470 0.000 0.000 0.230 365 S C 1.698 176.407 174.600 0.180 0.000 1.014 365 S CA 1.638 59.915 58.200 0.129 0.000 0.957 365 S CB 0.063 63.301 63.200 0.063 0.000 0.784 365 S HN 0.842 nan 8.310 nan 0.000 0.499 366 E N 1.083 121.376 120.200 0.156 0.000 2.072 366 E HA -0.209 4.141 4.350 0.000 0.000 0.190 366 E C 1.988 178.706 176.600 0.197 0.000 0.982 366 E CA 0.867 57.354 56.400 0.145 0.000 0.803 366 E CB -0.235 29.527 29.700 0.103 0.000 0.755 366 E HN 0.816 nan 8.360 nan 0.000 0.453 367 H N -1.408 117.729 119.070 0.112 0.000 2.293 367 H HA -0.206 4.350 4.556 0.000 0.000 0.300 367 H C 2.043 177.435 175.328 0.106 0.000 1.082 367 H CA 1.768 57.878 56.048 0.104 0.000 1.308 367 H CB -0.063 29.761 29.762 0.103 0.000 1.375 367 H HN 0.232 nan 8.280 nan 0.000 0.495 368 Y N 1.391 121.802 120.300 0.184 0.000 2.181 368 Y HA -0.201 4.349 4.550 -0.000 0.000 0.288 368 Y C 1.719 177.660 175.900 0.068 0.000 1.146 368 Y CA 1.895 60.035 58.100 0.068 0.000 1.164 368 Y CB -0.104 38.369 38.460 0.022 0.000 0.982 368 Y HN 0.350 nan 8.280 nan 0.000 0.515 369 D N -1.009 119.550 120.400 0.266 0.000 2.224 369 D HA -0.130 4.510 4.640 0.000 0.000 0.205 369 D C 2.324 178.667 176.300 0.073 0.000 0.965 369 D CA 1.123 55.224 54.000 0.169 0.000 0.852 369 D CB -0.307 40.591 40.800 0.163 0.000 0.947 369 D HN 0.276 nan 8.370 nan 0.000 0.494 370 V N 1.181 121.148 119.914 0.087 0.000 2.283 370 V HA -0.183 3.937 4.120 0.000 0.000 0.243 370 V C 2.466 178.559 176.094 -0.002 0.000 1.039 370 V CA 1.684 64.026 62.300 0.070 0.000 1.016 370 V CB -0.818 31.073 31.823 0.114 0.000 0.650 370 V HN 0.189 nan 8.190 nan 0.000 0.449 371 A N 0.523 123.331 122.820 -0.020 0.000 1.849 371 A HA -0.246 4.074 4.320 0.000 0.000 0.217 371 A C 2.291 179.775 177.584 -0.166 0.000 1.202 371 A CA 1.961 53.933 52.037 -0.109 0.000 0.629 371 A CB -0.597 18.328 19.000 -0.125 0.000 0.834 371 A HN 0.421 nan 8.150 nan 0.000 0.447 372 R N -0.469 119.886 120.500 -0.242 0.000 2.159 372 R HA -0.115 4.225 4.340 0.000 0.000 0.237 372 R C 2.247 178.493 176.300 -0.090 0.000 1.131 372 R CA 1.238 57.219 56.100 -0.198 0.000 0.982 372 R CB -1.529 28.625 30.300 -0.245 0.000 0.868 372 R HN 0.579 nan 8.270 nan 0.000 0.453 373 G N 0.281 109.049 108.800 -0.053 0.000 2.408 373 G HA2 -0.159 3.801 3.960 0.000 0.000 0.217 373 G HA3 -0.159 3.801 3.960 0.000 0.000 0.217 373 G C 1.551 176.436 174.900 -0.025 0.000 1.150 373 G CA 0.476 45.568 45.100 -0.014 0.000 0.776 373 G HN 0.174 nan 8.290 nan 0.000 0.542 374 V N 0.369 120.248 119.914 -0.060 0.000 2.427 374 V HA -0.181 3.939 4.120 0.000 0.000 0.248 374 V C 2.870 178.916 176.094 -0.080 0.000 1.051 374 V CA 1.969 64.215 62.300 -0.090 0.000 1.048 374 V CB -0.346 31.340 31.823 -0.228 0.000 0.666 374 V HN 0.416 nan 8.190 nan 0.000 0.456 375 Q N -0.268 119.480 119.800 -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 1.567 57.330 55.803 -0.066 0.000 0.838 375 Q CB -0.176 28.512 28.738 -0.084 0.000 0.900 375 Q HN 0.574 nan 8.270 nan 0.000 0.436 376 K N 1.171 121.554 120.400 -0.030 0.000 2.009 376 K HA -0.184 4.136 4.320 0.000 0.000 0.210 376 K C 1.991 178.595 176.600 0.007 0.000 1.049 376 K CA 1.264 57.545 56.287 -0.010 0.000 0.929 376 K CB -0.221 32.277 32.500 -0.004 0.000 0.714 376 K HN 0.158 nan 8.250 nan 0.000 0.440 377 I N 0.968 121.543 120.570 0.009 0.000 2.264 377 I HA -0.278 3.892 4.170 0.000 0.000 0.248 377 I C 1.820 177.972 176.117 0.059 0.000 1.111 377 I CA 1.131 62.445 61.300 0.025 0.000 1.382 377 I CB 0.095 38.099 38.000 0.008 0.000 1.060 377 I HN 0.251 nan 8.210 nan 0.000 0.418 378 L N -0.208 121.044 121.223 0.049 0.000 2.109 378 L HA -0.193 4.147 4.340 0.000 0.000 0.207 378 L C 2.531 179.457 176.870 0.094 0.000 1.086 378 L CA 0.844 55.742 54.840 0.097 0.000 0.760 378 L CB -0.626 41.462 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 0.038 0.000 2.016 379 Q HA -0.203 4.137 4.340 0.000 0.000 0.200 379 Q C 1.768 177.782 176.000 0.022 0.000 0.978 379 Q CA 1.813 57.624 55.803 0.013 0.000 0.833 379 Q CB -0.198 28.537 28.738 -0.004 0.000 0.895 379 Q HN 0.338 nan 8.270 nan 0.000 0.427 380 D N -0.832 119.593 120.400 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 0.087 0.000 0.997 380 D CA 1.434 55.464 54.000 0.050 0.000 0.840 380 D CB -0.414 40.416 40.800 0.051 0.000 0.947 380 D HN 0.381 nan 8.370 nan 0.000 0.452 381 Y N 1.408 121.696 120.300 -0.019 0.000 2.263 381 Y HA -0.060 4.491 4.550 0.000 0.000 0.292 381 Y C 2.186 178.074 175.900 -0.021 0.000 1.130 381 Y CA 1.211 59.299 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 -0.258 120.041 120.400 -0.169 0.000 2.009 382 K HA -0.173 4.147 4.320 0.000 0.000 0.210 382 K C 2.297 178.772 176.600 -0.210 0.000 1.049 382 K CA 1.891 58.023 56.287 -0.259 0.000 0.929 382 K CB -0.273 32.155 32.500 -0.120 0.000 0.714 382 K HN 0.278 nan 8.250 nan 0.000 0.440 383 S N 1.101 116.733 115.700 -0.114 0.000 2.365 383 S HA -0.161 4.309 4.470 0.000 0.000 0.225 383 S C 1.848 176.394 174.600 -0.091 0.000 1.039 383 S CA 1.383 59.533 58.200 -0.082 0.000 1.033 383 S CB -0.268 62.907 63.200 -0.043 0.000 0.887 383 S HN 0.242 nan 8.310 nan 0.000 0.447 384 L N 1.205 122.376 121.223 -0.086 0.000 2.156 384 L HA -0.130 4.210 4.340 0.000 0.000 0.208 384 L C 2.638 179.438 176.870 -0.115 0.000 1.095 384 L CA 0.853 55.656 54.840 -0.062 0.000 0.770 384 L CB -0.569 41.498 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 57.861 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 -0.201 120.127 120.400 -0.119 0.000 2.219 386 D HA -0.089 4.551 4.640 0.000 0.000 0.205 386 D C 1.759 178.028 176.300 -0.052 0.000 0.970 386 D CA 0.950 54.904 54.000 -0.076 0.000 0.851 386 D CB -0.016 40.742 40.800 -0.069 0.000 0.943 386 D HN 0.322 nan 8.370 nan 0.000 0.488 387 I N 0.949 121.489 120.570 -0.049 0.000 2.429 387 I HA -0.076 4.094 4.170 0.000 0.000 0.247 387 I C 2.445 178.550 176.117 -0.019 0.000 1.099 387 I CA 0.358 61.640 61.300 -0.030 0.000 1.422 387 I CB -0.153 37.831 38.000 -0.026 0.000 1.112 387 I HN -0.063 nan 8.210 nan 0.000 0.430 388 I N 0.231 120.793 120.570 -0.015 0.000 2.916 388 I HA -0.097 4.073 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 2.142 124.953 122.820 -0.014 0.000 1.865 389 A HA -0.143 4.177 4.320 0.000 0.000 0.217 389 A C 2.118 179.696 177.584 -0.010 0.000 1.191 389 A CA 2.298 54.326 52.037 -0.015 0.000 0.623 389 A CB -0.685 18.299 19.000 -0.026 0.000 0.826 389 A HN 0.551 nan 8.150 nan 0.000 0.444 390 I N -1.028 119.535 120.570 -0.012 0.000 2.522 390 I HA -0.007 4.163 4.170 0.000 0.000 0.240 390 I C 1.862 177.976 176.117 -0.005 0.000 1.078 390 I CA 0.568 61.863 61.300 -0.009 0.000 1.422 390 I CB -0.247 37.746 38.000 -0.011 0.000 1.188 390 I HN 0.151 nan 8.210 nan 0.000 0.442 391 L N 0.943 122.163 121.223 -0.005 0.000 2.622 391 L HA 0.153 4.493 4.340 0.000 0.000 0.233 391 L C 1.133 178.003 176.870 0.001 0.000 1.156 391 L CA 0.212 55.050 54.840 -0.002 0.000 0.866 391 L CB -1.615 40.442 42.059 -0.003 0.000 0.980 391 L HN 0.515 nan 8.230 nan 0.000 0.448 392 G N 0.112 108.913 108.800 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 0.128 175.034 174.900 0.011 0.000 1.386 392 G CA 0.247 45.352 45.100 0.007 0.000 0.875 392 G HN 0.146 nan 8.290 nan 0.000 0.557 393 M N -0.421 119.187 119.600 0.014 0.000 2.414 393 M HA 0.160 4.640 4.480 0.000 0.000 0.251 393 M C 1.815 178.123 176.300 0.014 0.000 1.116 393 M CA 0.919 56.229 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 1.645 177.950 176.300 0.008 0.000 0.997 394 D CA 1.299 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 0.172 120.376 120.200 0.007 0.000 2.396 395 E HA -0.038 4.312 4.350 0.000 0.000 0.200 395 E C 0.797 177.402 176.600 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 1.914 123.144 121.223 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 -0.180 54.667 54.840 0.012 0.000 0.846 396 L CB 0.549 42.619 42.059 0.018 0.000 1.111 396 L HN -0.008 nan 8.230 nan 0.000 0.475 397 S N 2.176 117.882 115.700 0.011 0.000 2.533 397 S HA 0.048 4.518 4.470 0.000 0.000 0.282 397 S C 0.889 175.495 174.600 0.009 0.000 1.304 397 S CA -0.906 57.299 58.200 0.009 0.000 1.063 397 S CB 1.101 64.306 63.200 0.009 0.000 0.881 397 S HN 0.537 nan 8.310 nan 0.000 0.493 398 E N 2.187 122.392 120.200 0.008 0.000 2.233 398 E HA -0.219 4.131 4.350 0.000 0.000 0.199 398 E C 1.545 178.149 176.600 0.007 0.000 1.004 398 E CA 1.185 57.589 56.400 0.007 0.000 0.819 398 E CB -0.235 29.469 29.700 0.006 0.000 0.738 398 E HN 0.756 nan 8.360 nan 0.000 0.478 399 E N 0.527 120.731 120.200 0.007 0.000 2.110 399 E HA -0.166 4.184 4.350 0.000 0.000 0.193 399 E C 1.276 177.881 176.600 0.009 0.000 0.988 399 E CA 1.161 57.565 56.400 0.007 0.000 0.804 399 E CB -0.105 29.599 29.700 0.008 0.000 0.745 399 E HN 0.333 nan 8.360 nan 0.000 0.458 400 D N -0.194 120.213 120.400 0.013 0.000 2.333 400 D HA -0.048 4.592 4.640 0.000 0.000 0.208 400 D C 1.339 177.652 176.300 0.021 0.000 0.984 400 D CA 0.554 54.566 54.000 0.019 0.000 0.873 400 D CB 0.246 41.059 40.800 0.022 0.000 0.935 400 D HN 0.129 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 1.211 177.807 176.600 -0.006 0.000 1.023 401 K CA 0.077 56.370 56.287 0.010 0.000 1.094 401 K CB 0.567 33.073 32.500 0.011 0.000 0.841 401 K HN 0.107 nan 8.250 nan 0.000 0.523 402 L N 2.056 123.274 121.223 -0.008 0.000 2.298 402 L HA -0.009 4.331 4.340 0.000 0.000 0.209 402 L C 2.363 179.211 176.870 -0.036 0.000 1.084 402 L CA 1.418 56.246 54.840 -0.020 0.000 0.816 402 L CB -0.034 42.020 42.059 -0.009 0.000 0.967 402 L HN 0.307 nan 8.230 nan 0.000 0.460 403 T N -4.020 110.522 114.554 -0.021 0.000 2.985 403 T HA -0.061 4.289 4.350 0.000 0.000 0.266 403 T C 1.749 176.408 174.700 -0.070 0.000 1.076 403 T CA 1.241 63.325 62.100 -0.027 0.000 1.135 403 T CB -0.573 68.299 68.868 0.008 0.000 0.890 403 T HN 0.070 nan 8.240 nan 0.000 0.480 404 V N 1.467 121.349 119.914 -0.053 0.000 2.358 404 V HA -0.120 4.000 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 1.830 59.942 58.200 -0.146 0.000 1.050 405 S CB -0.351 62.797 63.200 -0.087 0.000 1.016 405 S HN 0.502 nan 8.310 nan 0.000 0.419 406 R N 1.014 121.416 120.500 -0.164 0.000 2.119 406 R HA -0.162 4.178 4.340 0.000 0.000 0.246 406 R C 2.483 178.668 176.300 -0.193 0.000 1.146 406 R CA 1.382 57.380 56.100 -0.170 0.000 0.962 406 R CB -0.666 29.577 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 -0.189 4.131 4.320 0.000 0.000 0.216 407 A C 2.147 179.535 177.584 -0.327 0.000 1.190 407 A CA 1.370 53.245 52.037 -0.269 0.000 0.617 407 A CB -0.445 18.313 19.000 -0.404 0.000 0.827 407 A HN 0.271 nan 8.150 nan 0.000 0.443 408 R N -0.064 120.165 120.500 -0.452 0.000 2.127 408 R HA -0.138 4.202 4.340 0.000 0.000 0.238 408 R C 2.075 178.256 176.300 -0.199 0.000 1.134 408 R CA 1.621 57.528 56.100 -0.321 0.000 0.975 408 R CB -0.314 29.815 30.300 -0.285 0.000 0.865 408 R HN 0.555 nan 8.270 nan 0.000 0.447 409 K N 0.486 120.721 120.400 -0.275 0.000 2.076 409 K HA 0.022 4.342 4.320 0.000 0.000 0.204 409 K C 2.134 178.586 176.600 -0.248 0.000 1.051 409 K CA 0.898 56.923 56.287 -0.437 0.000 0.949 409 K CB -0.018 31.925 32.500 -0.930 0.000 0.726 409 K HN 0.117 nan 8.250 nan 0.000 0.443 410 I N 1.541 122.051 120.570 -0.100 0.000 2.226 410 I HA -0.305 3.865 4.170 0.000 0.000 0.245 410 I C 2.629 178.892 176.117 0.243 0.000 1.100 410 I CA 1.372 62.801 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 0.602 120.454 119.800 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 1.735 57.587 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 0.451 nan 8.270 nan 0.000 0.422 412 R N -1.215 119.379 120.500 0.157 0.000 2.075 412 R HA -0.034 4.306 4.340 0.000 0.000 0.220 412 R C 1.981 178.459 176.300 0.297 0.000 1.118 412 R CA 0.780 57.030 56.100 0.249 0.000 0.986 412 R CB -0.321 30.138 30.300 0.265 0.000 0.884 412 R HN 0.193 nan 8.270 nan 0.000 0.439 413 F N 1.716 121.766 119.950 0.166 0.000 2.373 413 F HA -0.101 4.427 4.527 0.000 0.000 0.300 413 F C 1.576 177.518 175.800 0.237 0.000 1.080 413 F CA 1.092 59.167 58.000 0.124 0.000 1.417 413 F CB -0.016 38.929 39.000 -0.093 0.000 1.070 413 F HN -0.045 nan 8.300 nan 0.000 0.546 414 L N -0.734 120.656 121.223 0.279 0.000 2.418 414 L HA 0.007 4.347 4.340 0.000 0.000 0.218 414 L C 1.367 178.252 176.870 0.026 0.000 1.125 414 L CA 0.165 55.118 54.840 0.187 0.000 0.835 414 L CB -0.568 41.585 42.059 0.156 0.000 0.953 414 L HN 0.032 nan 8.230 nan 0.000 0.454 415 S N -0.450 115.259 115.700 0.015 0.000 2.624 415 S HA 0.372 4.842 4.470 0.000 0.000 0.263 415 S C -0.309 174.204 174.600 -0.144 0.000 1.287 415 S CA -0.554 57.612 58.200 -0.057 0.000 0.990 415 S CB 1.787 64.974 63.200 -0.022 0.000 0.950 415 S HN 0.243 nan 8.310 nan 0.000 0.561 416 Q N 0.088 119.775 119.800 -0.190 0.000 2.403 416 Q HA 0.334 4.674 4.340 0.000 0.000 0.267 416 Q C -3.206 172.680 176.000 -0.190 0.000 0.991 416 Q CA -1.860 53.846 55.803 -0.161 0.000 0.906 416 Q CB 2.228 30.940 28.738 -0.043 0.000 1.422 416 Q HN 0.463 nan 8.270 nan 0.000 0.400 417 P HA 0.190 nan 4.420 nan 0.000 0.280 417 P C -0.902 176.492 177.300 0.156 0.000 1.300 417 P CA -0.045 63.021 63.100 -0.057 0.000 0.785 417 P CB 0.034 31.709 31.700 -0.043 0.000 0.874 418 F N 1.920 121.876 119.950 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 -0.747 57.266 58.000 0.021 0.000 1.183 418 F CB 0.590 39.619 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 0.045 4.386 4.340 0.000 0.000 0.208 419 Q C 0.525 176.553 176.000 0.047 0.000 0.958 419 Q CA 0.643 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 -0.175 119.792 119.914 0.089 0.000 3.578 420 V HA 0.316 4.436 4.120 0.000 0.000 0.290 420 V C 0.533 176.685 176.094 0.096 0.000 1.376 420 V CA 0.745 63.085 62.300 0.066 0.000 1.083 420 V CB 0.996 32.858 31.823 0.066 0.000 0.911 420 V HN 0.327 nan 8.190 nan 0.000 0.433 421 A N -0.789 122.111 122.820 0.135 0.000 2.594 421 A HA 0.368 4.688 4.320 0.000 0.000 0.292 421 A C 1.223 178.797 177.584 -0.016 0.000 1.026 421 A CA -0.189 51.938 52.037 0.150 0.000 0.983 421 A CB 0.072 19.334 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 -0.077 0.000 2.150 422 E HA -0.129 4.221 4.350 0.000 0.000 0.193 422 E C 1.715 178.223 176.600 -0.153 0.000 0.985 422 E CA 1.479 57.846 56.400 -0.056 0.000 0.814 422 E CB -0.145 29.529 29.700 -0.044 0.000 0.752 422 E HN 0.552 nan 8.360 nan 0.000 0.466 423 V N -0.275 119.423 119.914 -0.360 0.000 2.867 423 V HA -0.201 3.919 4.120 0.000 0.000 0.260 423 V C 1.489 177.346 176.094 -0.395 0.000 1.099 423 V CA 1.364 63.404 62.300 -0.434 0.000 1.122 423 V CB -0.716 30.714 31.823 -0.655 0.000 0.708 423 V HN 0.114 nan 8.190 nan 0.000 0.490 424 F N 1.516 121.457 119.950 -0.015 0.000 2.419 424 F HA 0.101 4.628 4.527 0.000 0.000 0.283 424 F C 2.679 178.472 175.800 -0.012 0.000 1.044 424 F CA 1.124 59.099 58.000 -0.041 0.000 1.376 424 F CB -1.337 37.591 39.000 -0.120 0.000 1.131 424 F HN 0.212 nan 8.300 nan 0.000 0.585 425 T N -2.994 111.668 114.554 0.180 0.000 3.067 425 T HA 0.315 4.665 4.350 0.000 0.000 0.257 425 T C 1.762 176.627 174.700 0.276 0.000 1.105 425 T CA 0.630 62.852 62.100 0.204 0.000 1.104 425 T CB -0.368 68.588 68.868 0.147 0.000 0.925 425 T HN 0.494 nan 8.240 nan 0.000 0.498 426 G N 1.246 110.118 108.800 0.120 0.000 2.198 426 G HA2 -0.204 3.756 3.960 0.000 0.000 0.260 426 G HA3 -0.204 3.756 3.960 0.000 0.000 0.260 426 G C -0.277 174.548 174.900 -0.126 0.000 1.025 426 G CA 0.316 45.414 45.100 -0.003 0.000 0.769 426 G HN 0.828 nan 8.290 nan 0.000 0.507 427 H N -1.971 117.090 119.070 -0.016 0.000 2.806 427 H HA 0.605 5.161 4.556 0.000 0.000 0.367 427 H C -0.054 175.264 175.328 -0.016 0.000 1.136 427 H CA -0.931 55.104 56.048 -0.021 0.000 1.178 427 H CB 1.500 31.240 29.762 -0.038 0.000 1.718 427 H HN 0.205 nan 8.280 nan 0.000 0.540 428 L N 1.825 123.108 121.223 0.100 0.000 2.453 428 L HA 0.310 4.650 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 0.380 55.253 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 4.178 113.015 108.800 0.062 0.000 2.398 429 G HA2 0.233 4.194 3.960 0.000 0.000 0.246 429 G HA3 0.233 4.194 3.960 0.000 0.000 0.246 429 G C -0.485 174.451 174.900 0.059 0.000 1.289 429 G CA -0.504 44.645 45.100 0.081 0.000 0.869 429 G HN 0.441 nan 8.290 nan 0.000 0.543 430 K N 1.080 121.520 120.400 0.067 0.000 2.270 430 K HA 0.411 4.731 4.320 0.000 0.000 0.255 430 K C -0.966 175.660 176.600 0.043 0.000 0.936 430 K CA -0.996 55.315 56.287 0.040 0.000 0.809 430 K CB 2.388 34.901 32.500 0.021 0.000 1.131 430 K HN 0.370 nan 8.250 nan 0.000 0.427 431 L N 2.460 123.695 121.223 0.021 0.000 2.319 431 L HA 0.463 4.803 4.340 0.000 0.000 0.281 431 L C -1.156 175.719 176.870 0.008 0.000 1.005 431 L CA -0.699 54.147 54.840 0.010 0.000 0.828 431 L CB 1.513 43.569 42.059 -0.005 0.000 1.227 431 L HN 0.245 nan 8.230 nan 0.000 0.415 432 V N 6.773 126.691 119.914 0.007 0.000 2.483 432 V HA 0.603 4.723 4.120 0.000 0.000 0.295 432 V C -1.985 174.116 176.094 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 33.345 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 0.715 178.024 177.300 0.015 0.000 1.228 433 P CA -0.399 62.710 63.100 0.015 0.000 0.786 433 P CB 1.173 32.883 31.700 0.017 0.000 0.927 434 L N 3.545 124.773 121.223 0.008 0.000 2.089 434 L HA -0.220 4.120 4.340 0.000 0.000 0.213 434 L C 2.003 178.860 176.870 -0.022 0.000 1.079 434 L CA 2.095 56.928 54.840 -0.012 0.000 0.758 434 L CB -1.056 40.997 42.059 -0.010 0.000 0.891 434 L HN 0.351 nan 8.230 nan 0.000 0.433 435 K N -1.145 119.254 120.400 -0.001 0.000 2.228 435 K HA -0.070 4.250 4.320 0.000 0.000 0.202 435 K C 1.850 178.470 176.600 0.033 0.000 1.051 435 K CA 0.784 57.075 56.287 0.008 0.000 0.960 435 K CB -0.015 32.495 32.500 0.016 0.000 0.743 435 K HN 0.273 nan 8.250 nan 0.000 0.458 436 E N 0.395 120.619 120.200 0.041 0.000 2.150 436 E HA -0.089 4.261 4.350 0.000 0.000 0.193 436 E C 1.876 178.538 176.600 0.104 0.000 0.985 436 E CA 1.078 57.516 56.400 0.063 0.000 0.814 436 E CB -0.215 29.517 29.700 0.054 0.000 0.752 436 E HN 0.204 nan 8.360 nan 0.000 0.466 437 T N 1.626 116.239 114.554 0.099 0.000 2.639 437 T HA -0.043 4.307 4.350 0.000 0.000 0.261 437 T C 2.138 176.985 174.700 0.244 0.000 1.053 437 T CA 1.009 63.216 62.100 0.178 0.000 1.158 437 T CB -0.314 68.636 68.868 0.137 0.000 0.863 437 T HN 0.088 nan 8.240 nan 0.000 0.413 438 I N 1.440 122.079 120.570 0.114 0.000 2.145 438 I HA -0.297 3.873 4.170 0.000 0.000 0.244 438 I C 2.636 178.842 176.117 0.149 0.000 1.075 438 I CA 1.649 63.007 61.300 0.096 0.000 1.332 438 I CB -0.483 37.490 38.000 -0.045 0.000 1.033 438 I HN 0.257 nan 8.210 nan 0.000 0.410 439 K N 1.436 121.902 120.400 0.111 0.000 2.001 439 K HA -0.150 4.170 4.320 0.000 0.000 0.208 439 K C 2.212 178.871 176.600 0.099 0.000 1.048 439 K CA 1.751 58.095 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 0.701 109.553 108.800 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 1.288 176.091 174.900 -0.161 0.000 1.164 440 G CA 0.951 46.003 45.100 -0.080 0.000 0.768 440 G HN 0.291 nan 8.290 nan 0.000 0.560 441 F N 0.508 120.564 119.950 0.177 0.000 2.146 441 F HA 0.014 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 -0.701 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 0.236 0.000 2.096 442 Q HA -0.300 4.040 4.340 0.000 0.000 0.208 442 Q C 2.121 178.184 176.000 0.105 0.000 0.993 442 Q CA 2.323 58.213 55.803 0.145 0.000 0.862 442 Q CB -0.142 28.664 28.738 0.114 0.000 0.915 442 Q HN 0.507 nan 8.270 nan 0.000 0.416 443 Q N -0.332 119.529 119.800 0.102 0.000 2.083 443 Q HA -0.105 4.235 4.340 0.000 0.000 0.198 443 Q C 2.151 178.214 176.000 0.105 0.000 0.969 443 Q CA 1.426 57.282 55.803 0.088 0.000 0.838 443 Q CB -0.047 28.802 28.738 0.185 0.000 0.900 443 Q HN 0.487 nan 8.270 nan 0.000 0.436 444 I N 0.645 121.291 120.570 0.127 0.000 2.179 444 I HA -0.287 3.883 4.170 0.000 0.000 0.242 444 I C 2.227 178.373 176.117 0.049 0.000 1.088 444 I CA 1.126 62.477 61.300 0.084 0.000 1.357 444 I CB -0.372 37.597 38.000 -0.050 0.000 1.051 444 I HN 0.218 nan 8.210 nan 0.000 0.409 445 L N 0.770 122.042 121.223 0.080 0.000 2.131 445 L HA -0.177 4.163 4.340 0.000 0.000 0.210 445 L C 2.616 179.506 176.870 0.033 0.000 1.092 445 L CA 1.150 56.026 54.840 0.060 0.000 0.759 445 L CB -0.446 41.663 42.059 0.084 0.000 0.903 445 L HN 0.270 nan 8.230 nan 0.000 0.435 446 A N -0.914 121.924 122.820 0.029 0.000 2.206 446 A HA 0.198 4.518 4.320 0.000 0.000 0.211 446 A C 1.760 179.335 177.584 -0.015 0.000 1.158 446 A CA 0.852 52.893 52.037 0.006 0.000 0.761 446 A CB -0.372 18.627 19.000 -0.002 0.000 0.801 446 A HN 0.542 nan 8.150 nan 0.000 0.473 447 G N -0.617 108.173 108.800 -0.016 0.000 2.176 447 G HA2 -0.278 3.683 3.960 0.000 0.000 0.253 447 G HA3 -0.278 3.683 3.960 0.000 0.000 0.253 447 G C 0.406 175.271 174.900 -0.059 0.000 0.979 447 G CA 0.480 45.567 45.100 -0.023 0.000 0.641 447 G HN 0.607 nan 8.290 nan 0.000 0.530 448 E N -0.836 119.277 120.200 -0.145 0.000 2.533 448 E HA 0.110 4.460 4.350 0.000 0.000 0.201 448 E C 0.432 176.632 176.600 -0.666 0.000 1.097 448 E CA 0.603 56.781 56.400 -0.369 0.000 0.887 448 E CB -0.088 29.312 29.700 -0.500 0.000 0.855 448 E HN 0.756 nan 8.360 nan 0.000 0.540 449 Y N -1.577 118.707 120.300 -0.027 0.000 2.954 449 Y HA 0.093 4.643 4.550 0.000 0.000 0.267 449 Y C 0.676 176.459 175.900 -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 38.971 38.460 0.019 0.000 1.317 449 Y HN -0.069 nan 8.280 nan 0.000 0.587 450 D N 0.473 120.886 120.400 0.021 0.000 2.389 450 D HA -0.155 4.485 4.640 0.000 0.000 0.221 450 D C 1.854 178.196 176.300 0.069 0.000 0.974 450 D CA 1.399 55.420 54.000 0.035 0.000 0.923 450 D CB 0.078 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 -0.591 118.545 119.070 0.110 0.000 2.451 451 H HA 0.085 4.641 4.556 0.000 0.000 0.294 451 H C 1.188 176.589 175.328 0.122 0.000 1.028 451 H CA -0.107 55.994 56.048 0.089 0.000 1.349 451 H CB -0.423 29.375 29.762 0.059 0.000 1.444 451 H HN 0.020 nan 8.280 nan 0.000 0.538 452 L N 2.702 123.796 121.223 -0.215 0.000 2.482 452 L HA 0.237 4.577 4.340 0.000 0.000 0.273 452 L C -2.187 174.770 176.870 0.145 0.000 1.228 452 L CA -2.000 52.831 54.840 -0.016 0.000 0.827 452 L CB -0.297 41.674 42.059 -0.147 0.000 1.099 452 L HN 0.073 nan 8.230 nan 0.000 0.494 453 P HA 0.171 nan 4.420 nan 0.000 0.278 453 P C -0.170 177.289 177.300 0.265 0.000 1.238 453 P CA -0.512 62.672 63.100 0.140 0.000 0.794 453 P CB 0.949 32.696 31.700 0.079 0.000 0.955 454 E N 0.726 121.050 120.200 0.207 0.000 2.033 454 E HA -0.267 4.083 4.350 0.000 0.000 0.199 454 E C 1.818 178.602 176.600 0.307 0.000 1.011 454 E CA 1.225 57.768 56.400 0.238 0.000 0.815 454 E CB -0.398 29.343 29.700 0.067 0.000 0.755 454 E HN 0.433 nan 8.360 nan 0.000 0.451 455 Q N 0.039 119.937 119.800 0.163 0.000 2.290 455 Q HA -0.206 4.134 4.340 0.000 0.000 0.211 455 Q C 2.093 178.191 176.000 0.163 0.000 0.991 455 Q CA 1.577 57.471 55.803 0.151 0.000 0.893 455 Q CB -0.482 28.311 28.738 0.092 0.000 0.913 455 Q HN 0.369 nan 8.270 nan 0.000 0.428 456 A N -0.878 121.992 122.820 0.084 0.000 2.015 456 A HA -0.113 4.207 4.320 0.000 0.000 0.219 456 A C 1.549 179.024 177.584 -0.181 0.000 1.163 456 A CA 0.922 52.892 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 -2.523 117.452 119.950 0.043 0.000 2.743 457 F HA 0.181 4.708 4.527 0.000 0.000 0.297 457 F C 0.785 176.694 175.800 0.183 0.000 1.131 457 F CA -0.276 57.780 58.000 0.094 0.000 1.426 457 F CB -0.289 38.748 39.000 0.060 0.000 1.116 457 F HN 0.274 nan 8.300 nan 0.000 0.583 458 Y N 1.691 122.092 120.300 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 -1.685 56.463 58.100 0.080 0.000 1.308 458 Y CB 0.253 38.748 38.460 0.058 0.000 1.216 458 Y HN 0.015 nan 8.280 nan 0.000 0.518 459 M N 6.174 125.400 119.600 -0.623 0.000 2.852 459 M HA -0.156 4.324 4.480 0.000 0.000 0.176 459 M C -1.148 174.959 176.300 -0.321 0.000 1.160 459 M CA 1.022 55.925 55.300 -0.662 0.000 0.702 459 M CB -2.517 29.413 32.600 -1.116 0.000 1.193 459 M HN 0.514 nan 8.290 nan 0.000 0.775 460 V N -1.897 117.914 119.914 -0.171 0.000 3.159 460 V HA 1.065 5.185 4.120 0.000 0.000 0.308 460 V C 0.485 176.531 176.094 -0.080 0.000 1.190 460 V CA -0.068 62.189 62.300 -0.072 0.000 1.037 460 V CB 1.835 33.656 31.823 -0.004 0.000 1.060 460 V HN 0.527 nan 8.190 nan 0.000 0.437 461 G N 0.668 109.446 108.800 -0.036 0.000 2.964 461 G HA2 0.492 4.453 3.960 0.000 0.000 0.191 461 G HA3 0.492 4.453 3.960 0.000 0.000 0.191 461 G C -2.412 172.478 174.900 -0.018 0.000 1.978 461 G CA -0.342 44.730 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 0.274 462 P C 0.785 178.194 177.300 0.181 0.000 1.231 462 P CA -0.583 62.591 63.100 0.124 0.000 0.790 462 P CB 1.174 32.910 31.700 0.060 0.000 0.951 463 I N 1.379 122.051 120.570 0.169 0.000 2.399 463 I HA -0.301 3.869 4.170 0.000 0.000 0.254 463 I C 1.624 177.601 176.117 -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 0.537 120.678 120.200 -0.099 0.000 2.153 464 E HA -0.209 4.141 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 1.387 57.733 56.400 -0.089 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 -0.113 4.237 4.350 0.000 0.000 0.194 465 E C 1.972 178.491 176.600 -0.134 0.000 0.989 465 E CA 0.807 57.166 56.400 -0.068 0.000 0.824 465 E CB -0.083 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 1.237 123.916 122.820 -0.236 0.000 1.929 466 A HA -0.072 4.248 4.320 0.000 0.000 0.216 466 A C 2.496 179.786 177.584 -0.489 0.000 1.176 466 A CA 0.760 52.523 52.037 -0.457 0.000 0.628 466 A CB -0.406 18.110 19.000 -0.808 0.000 0.816 466 A HN 0.097 nan 8.150 nan 0.000 0.444 467 V N -0.176 119.503 119.914 -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 -1.163 30.579 31.823 -0.135 0.000 0.656 467 V HN 0.592 nan 8.190 nan 0.000 0.451 468 A N 0.028 122.783 122.820 -0.108 0.000 1.865 468 A HA -0.298 4.022 4.320 0.000 0.000 0.217 468 A C 2.319 179.865 177.584 -0.064 0.000 1.191 468 A CA 2.342 54.342 52.037 -0.063 0.000 0.623 468 A CB -0.591 18.381 19.000 -0.046 0.000 0.826 468 A HN 0.516 nan 8.150 nan 0.000 0.444 469 K N -0.289 120.060 120.400 -0.085 0.000 2.160 469 K HA -0.135 4.185 4.320 0.000 0.000 0.206 469 K C 2.040 178.599 176.600 -0.068 0.000 1.047 469 K CA 1.249 57.497 56.287 -0.065 0.000 0.930 469 K CB -0.327 32.132 32.500 -0.069 0.000 0.720 469 K HN 0.402 nan 8.250 nan 0.000 0.450 470 A N 1.734 124.489 122.820 -0.108 0.000 1.858 470 A HA -0.208 4.112 4.320 0.000 0.000 0.216 470 A C 1.619 179.189 177.584 -0.024 0.000 1.190 470 A CA 1.997 53.988 52.037 -0.075 0.000 0.617 470 A CB -0.615 18.328 19.000 -0.096 0.000 0.827 470 A HN 0.426 nan 8.150 nan 0.000 0.443 471 D N -0.274 120.114 120.400 -0.019 0.000 2.087 471 D HA -0.183 4.457 4.640 0.000 0.000 0.192 471 D C 1.826 178.125 176.300 -0.002 0.000 0.993 471 D CA 1.668 55.666 54.000 -0.003 0.000 0.828 471 D CB -0.519 40.280 40.800 -0.003 0.000 0.968 471 D HN 0.509 nan 8.370 nan 0.000 0.448 472 K N 0.266 120.662 120.400 -0.007 0.000 2.127 472 K HA -0.133 4.187 4.320 0.000 0.000 0.208 472 K C 2.172 178.775 176.600 0.006 0.000 1.047 472 K CA 0.895 57.182 56.287 -0.001 0.000 0.927 472 K CB -0.128 32.371 32.500 -0.002 0.000 0.716 472 K HN 0.129 nan 8.250 nan 0.000 0.450 473 L N -0.435 120.791 121.223 0.006 0.000 2.313 473 L HA 0.005 4.345 4.340 0.000 0.000 0.214 473 L C 2.259 179.138 176.870 0.016 0.000 1.119 473 L CA 0.502 55.351 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 0.193 nan 8.230 nan 0.000 0.449 474 A N -0.461 122.367 122.820 0.013 0.000 2.204 474 A HA -0.138 4.182 4.320 0.000 0.000 0.220 474 A C 0.505 178.098 177.584 0.016 0.000 1.165 474 A CA 1.522 53.569 52.037 0.017 0.000 0.671 474 A CB -0.217 18.794 19.000 0.017 0.000 0.792 474 A HN 0.505 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