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 2w6e_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 1.291 116.028 114.554 0.305 0.000 2.840 10 T HA 0.770 5.120 4.350 0.000 0.000 0.287 10 T C 0.416 175.084 174.700 -0.054 0.000 0.991 10 T CA -0.430 61.769 62.100 0.166 0.000 0.964 10 T CB 1.415 70.313 68.868 0.050 0.000 0.954 10 T HN 1.138 nan 8.240 nan 0.000 0.438 11 G N 1.988 110.430 108.800 -0.596 0.000 2.667 11 G HA2 0.788 4.748 3.960 0.000 0.000 0.310 11 G HA3 0.788 4.748 3.960 0.000 0.000 0.310 11 G C -0.915 173.648 174.900 -0.563 0.000 1.259 11 G CA -1.022 43.339 45.100 -1.231 0.000 1.019 11 G HN 0.613 nan 8.290 nan 0.000 0.496 12 R N -1.034 119.203 120.500 -0.438 0.000 2.803 12 R HA 0.462 4.802 4.340 0.000 0.000 0.276 12 R C -0.625 175.556 176.300 -0.199 0.000 0.978 12 R CA -0.858 55.100 56.100 -0.238 0.000 0.939 12 R CB 2.435 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 2.385 122.878 120.570 -0.129 0.000 2.441 13 I HA -0.005 4.165 4.170 0.000 0.000 0.287 13 I C 1.416 177.490 176.117 -0.071 0.000 1.049 13 I CA -0.036 61.210 61.300 -0.090 0.000 1.381 13 I CB 1.385 39.348 38.000 -0.061 0.000 1.409 13 I HN 0.561 nan 8.210 nan 0.000 0.523 14 V N 2.969 122.849 119.914 -0.058 0.000 3.570 14 V HA 0.571 4.691 4.120 0.000 0.000 0.257 14 V C 0.554 176.630 176.094 -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 -0.051 122.755 122.820 -0.024 0.000 2.517 15 A HA 0.804 5.124 4.320 0.000 0.000 0.297 15 A C -1.234 176.343 177.584 -0.013 0.000 1.050 15 A CA -0.374 51.653 52.037 -0.016 0.000 0.694 15 A CB 2.177 21.171 19.000 -0.011 0.000 1.277 15 A HN 0.561 nan 8.150 nan 0.000 0.400 16 V N 2.571 122.479 119.914 -0.011 0.000 2.483 16 V HA 0.580 4.700 4.120 0.000 0.000 0.297 16 V C -0.659 175.432 176.094 -0.006 0.000 1.027 16 V CA -0.127 62.168 62.300 -0.008 0.000 0.855 16 V CB 1.352 33.169 31.823 -0.009 0.000 0.995 16 V HN 0.726 nan 8.190 nan 0.000 0.424 17 I N 4.415 124.983 120.570 -0.004 0.000 2.595 17 I HA 0.584 4.754 4.170 0.000 0.000 0.276 17 I C 0.804 176.919 176.117 -0.004 0.000 1.109 17 I CA 0.030 61.328 61.300 -0.004 0.000 1.084 17 I CB 1.328 39.326 38.000 -0.004 0.000 1.206 17 I HN 0.906 nan 8.210 nan 0.000 0.486 18 G N 4.129 112.926 108.800 -0.004 0.000 2.528 18 G HA2 -0.297 3.663 3.960 0.000 0.000 0.262 18 G HA3 -0.297 3.663 3.960 0.000 0.000 0.262 18 G C 0.797 175.696 174.900 -0.002 0.000 1.200 18 G CA 0.311 45.409 45.100 -0.004 0.000 0.951 18 G HN 0.805 nan 8.290 nan 0.000 0.566 19 A N -0.757 122.061 122.820 -0.003 0.000 2.239 19 A HA 0.512 4.832 4.320 0.000 0.000 0.209 19 A C 1.090 178.676 177.584 0.003 0.000 1.171 19 A CA 1.833 53.869 52.037 -0.001 0.000 0.768 19 A CB -0.156 18.842 19.000 -0.004 0.000 0.790 19 A HN 1.534 nan 8.150 nan 0.000 0.478 20 V N 0.814 120.729 119.914 0.002 0.000 2.394 20 V HA 0.419 4.539 4.120 0.000 0.000 0.282 20 V C -0.502 175.596 176.094 0.006 0.000 1.031 20 V CA -0.441 61.863 62.300 0.005 0.000 0.881 20 V CB 1.379 33.204 31.823 0.003 0.000 0.982 20 V HN 0.068 nan 8.190 nan 0.000 0.451 21 V N 3.791 123.712 119.914 0.011 0.000 2.588 21 V HA 0.479 4.599 4.120 0.000 0.000 0.304 21 V C -0.767 175.335 176.094 0.013 0.000 1.042 21 V CA -0.776 61.528 62.300 0.007 0.000 0.877 21 V CB 2.128 33.954 31.823 0.006 0.000 0.996 21 V HN 0.791 nan 8.190 nan 0.000 0.425 22 D N 2.883 123.286 120.400 0.004 0.000 2.177 22 D HA 0.605 5.245 4.640 0.000 0.000 0.247 22 D C -0.590 175.703 176.300 -0.012 0.000 1.063 22 D CA -0.021 53.984 54.000 0.008 0.000 0.867 22 D CB 2.378 43.181 40.800 0.004 0.000 1.168 22 D HN 0.262 nan 8.370 nan 0.000 0.445 23 V N 2.155 122.068 119.914 -0.002 0.000 2.735 23 V HA 0.302 4.422 4.120 0.000 0.000 0.310 23 V C -0.164 175.882 176.094 -0.080 0.000 1.061 23 V CA -0.851 61.403 62.300 -0.078 0.000 0.913 23 V CB 2.172 33.943 31.823 -0.087 0.000 1.005 23 V HN 0.385 nan 8.190 nan 0.000 0.428 24 Q N 2.672 122.362 119.800 -0.183 0.000 2.347 24 Q HA 0.545 4.885 4.340 0.000 0.000 0.262 24 Q C -1.758 174.100 176.000 -0.237 0.000 0.980 24 Q CA -0.410 55.319 55.803 -0.123 0.000 0.867 24 Q CB 1.248 29.934 28.738 -0.086 0.000 1.242 24 Q HN 0.650 nan 8.270 nan 0.000 0.453 25 F N 1.928 121.851 119.950 -0.045 0.000 2.399 25 F HA 0.208 4.735 4.527 -0.000 0.000 0.334 25 F C 1.134 176.911 175.800 -0.038 0.000 1.097 25 F CA -0.341 57.635 58.000 -0.040 0.000 1.076 25 F CB 1.347 40.318 39.000 -0.048 0.000 1.162 25 F HN 0.592 nan 8.300 nan 0.000 0.495 26 D N 1.238 121.715 120.400 0.128 0.000 2.162 26 D HA -0.036 4.604 4.640 0.000 0.000 0.205 26 D C 0.010 176.353 176.300 0.070 0.000 0.964 26 D CA 1.120 55.159 54.000 0.065 0.000 0.847 26 D CB 0.239 41.060 40.800 0.034 0.000 0.988 26 D HN 0.661 nan 8.370 nan 0.000 0.480 27 E N -0.723 119.534 120.200 0.095 0.000 2.293 27 E HA 0.534 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 2.074 31.798 29.700 0.039 0.000 1.208 27 E HN 0.001 nan 8.360 nan 0.000 0.428 28 G N 1.876 110.669 108.800 -0.011 0.000 2.686 28 G HA2 -0.206 3.754 3.960 0.000 0.000 0.211 28 G HA3 -0.206 3.754 3.960 0.000 0.000 0.211 28 G C -0.860 173.910 174.900 -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 5.874 126.964 121.223 -0.221 0.000 2.278 29 L HA 0.488 4.828 4.340 0.000 0.000 0.287 29 L C -1.205 175.467 176.870 -0.330 0.000 1.072 29 L CA -1.902 52.730 54.840 -0.346 0.000 0.819 29 L CB 0.769 42.663 42.059 -0.275 0.000 1.176 29 L HN 0.399 nan 8.230 nan 0.000 0.435 30 P HA 0.155 nan 4.420 nan 0.000 0.267 30 P C -2.629 174.668 177.300 -0.005 0.000 1.205 30 P CA -1.072 61.860 63.100 -0.280 0.000 0.765 30 P CB -0.181 31.306 31.700 -0.355 0.000 0.828 31 P HA 0.124 nan 4.420 nan 0.000 0.271 31 P C 0.480 177.770 177.300 -0.015 0.000 1.233 31 P CA -0.055 63.059 63.100 0.023 0.000 0.789 31 P CB 0.585 32.264 31.700 -0.035 0.000 0.951 32 I N 1.827 122.311 120.570 -0.143 0.000 2.692 32 I HA -0.076 4.094 4.170 0.000 0.000 0.284 32 I C 1.551 177.593 176.117 -0.124 0.000 1.159 32 I CA 0.538 61.752 61.300 -0.144 0.000 1.423 32 I CB -0.220 37.646 38.000 -0.224 0.000 1.380 32 I HN 0.425 nan 8.210 nan 0.000 0.580 33 L N 1.953 123.105 121.223 -0.119 0.000 3.271 33 L HA -0.239 4.101 4.340 0.000 0.000 0.429 33 L C 0.309 177.145 176.870 -0.057 0.000 0.724 33 L CA 0.143 54.880 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 1.180 119.862 118.700 -0.030 0.000 2.441 34 N HA 0.429 5.169 4.740 0.000 0.000 0.251 34 N C 0.207 175.734 175.510 0.028 0.000 1.242 34 N CA 1.061 54.110 53.050 -0.001 0.000 0.898 34 N CB 0.791 39.266 38.487 -0.020 0.000 1.100 34 N HN 0.335 nan 8.380 nan 0.000 0.443 35 A N 2.386 125.229 122.820 0.038 0.000 2.305 35 A HA 0.651 4.971 4.320 0.000 0.000 0.322 35 A C -0.569 177.047 177.584 0.053 0.000 1.187 35 A CA -0.617 51.451 52.037 0.052 0.000 0.825 35 A CB 0.319 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 1.734 123.000 121.223 0.072 0.000 2.342 36 L HA 0.562 4.902 4.340 0.000 0.000 0.271 36 L C -0.303 176.608 176.870 0.068 0.000 1.008 36 L CA -0.772 54.125 54.840 0.095 0.000 0.818 36 L CB 1.819 43.970 42.059 0.154 0.000 1.296 36 L HN 0.655 nan 8.230 nan 0.000 0.427 37 E N 2.006 122.241 120.200 0.059 0.000 2.171 37 E HA 0.360 4.710 4.350 0.000 0.000 0.271 37 E C -0.960 175.657 176.600 0.029 0.000 0.916 37 E CA -0.774 55.647 56.400 0.036 0.000 0.774 37 E CB 3.005 32.719 29.700 0.024 0.000 1.128 37 E HN 0.199 nan 8.360 nan 0.000 0.403 38 V N 3.964 123.889 119.914 0.018 0.000 2.508 38 V HA -0.021 4.099 4.120 0.000 0.000 0.281 38 V C 0.591 176.685 176.094 0.001 0.000 1.041 38 V CA -0.258 62.045 62.300 0.004 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 1.100 177.095 176.000 -0.009 0.000 0.948 39 Q CA 0.439 56.238 55.803 -0.006 0.000 0.886 39 Q CB 1.191 29.924 28.738 -0.009 0.000 1.227 39 Q HN 1.140 nan 8.270 nan 0.000 0.457 40 G N 1.651 110.447 108.800 -0.007 0.000 2.171 40 G HA2 -0.251 3.709 3.960 0.000 0.000 0.238 40 G HA3 -0.251 3.709 3.960 0.000 0.000 0.238 40 G C -0.150 174.747 174.900 -0.005 0.000 1.039 40 G CA -0.061 45.034 45.100 -0.007 0.000 0.759 40 G HN 0.423 nan 8.290 nan 0.000 0.501 41 R N -0.660 119.839 120.500 -0.003 0.000 2.621 41 R HA 0.387 4.727 4.340 0.000 0.000 0.292 41 R C 0.750 177.050 176.300 -0.001 0.000 0.969 41 R CA -0.996 55.102 56.100 -0.002 0.000 0.887 41 R CB 1.163 31.463 30.300 -0.001 0.000 1.180 41 R HN 0.029 nan 8.270 nan 0.000 0.450 42 E N 0.713 120.912 120.200 -0.000 0.000 2.130 42 E HA -0.117 4.233 4.350 0.000 0.000 0.196 42 E C 0.670 177.271 176.600 0.001 0.000 0.998 42 E CA 1.573 57.974 56.400 0.000 0.000 0.806 42 E CB 0.082 29.782 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 71.222 68.868 0.004 0.000 1.103 43 T HN -0.099 nan 8.240 nan 0.000 0.496 44 R N 1.232 121.736 120.500 0.007 0.000 2.399 44 R HA 0.308 4.648 4.340 0.000 0.000 0.324 44 R C -0.992 175.315 176.300 0.011 0.000 1.030 44 R CA -0.551 55.554 56.100 0.008 0.000 0.984 44 R CB -0.257 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 6.352 127.582 121.223 0.011 0.000 2.280 45 L HA 0.352 4.692 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 1.776 43.841 42.059 0.011 0.000 1.212 45 L HN 0.335 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 -0.023 176.093 176.094 0.038 0.000 1.037 46 V CA -0.624 61.696 62.300 0.033 0.000 0.908 46 V CB 1.674 33.518 31.823 0.035 0.000 0.985 46 V HN 0.577 nan 8.190 nan 0.000 0.454 47 L N 3.933 125.184 121.223 0.047 0.000 2.305 47 L HA 0.575 4.915 4.340 0.000 0.000 0.284 47 L C 0.028 176.934 176.870 0.062 0.000 1.013 47 L CA -0.308 54.562 54.840 0.051 0.000 0.819 47 L CB 1.736 43.828 42.059 0.056 0.000 1.227 47 L HN 0.652 nan 8.230 nan 0.000 0.417 48 E N 2.524 122.760 120.200 0.060 0.000 2.200 48 E HA 0.304 4.654 4.350 0.000 0.000 0.283 48 E C -0.861 175.771 176.600 0.053 0.000 1.015 48 E CA -0.768 55.670 56.400 0.064 0.000 0.819 48 E CB 1.749 31.498 29.700 0.083 0.000 1.081 48 E HN 0.327 nan 8.360 nan 0.000 0.397 49 V N 4.295 124.239 119.914 0.050 0.000 2.529 49 V HA 0.033 4.153 4.120 0.000 0.000 0.292 49 V C 0.934 177.043 176.094 0.024 0.000 1.028 49 V CA 0.916 63.251 62.300 0.058 0.000 1.074 49 V CB 0.790 32.655 31.823 0.070 0.000 0.958 49 V HN 0.887 nan 8.190 nan 0.000 0.481 50 A N 4.285 127.127 122.820 0.037 0.000 2.013 50 A HA 0.335 4.655 4.320 0.000 0.000 0.204 50 A C 0.727 178.315 177.584 0.006 0.000 1.262 50 A CA 0.300 52.342 52.037 0.010 0.000 0.800 50 A CB 0.350 19.360 19.000 0.017 0.000 0.909 50 A HN 0.772 nan 8.150 nan 0.000 0.472 51 Q N -1.485 118.346 119.800 0.053 0.000 2.534 51 Q HA 0.362 4.702 4.340 0.000 0.000 0.290 51 Q C -1.658 174.463 176.000 0.201 0.000 0.991 51 Q CA -0.588 55.255 55.803 0.066 0.000 0.783 51 Q CB 1.773 30.541 28.738 0.050 0.000 1.470 51 Q HN 0.595 nan 8.270 nan 0.000 0.406 52 H N 1.808 120.880 119.070 0.003 0.000 2.661 52 H HA 0.241 4.797 4.556 -0.000 0.000 0.290 52 H C 0.533 175.868 175.328 0.011 0.000 1.082 52 H CA -0.235 55.818 56.048 0.009 0.000 1.234 52 H CB 0.772 30.533 29.762 -0.001 0.000 1.387 52 H HN 0.432 nan 8.280 nan 0.000 0.476 53 L N 2.712 123.996 121.223 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 0.654 55.528 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 0.023 108.840 108.800 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 44.743 45.100 0.011 0.000 0.803 54 G HN 0.282 nan 8.290 nan 0.000 0.638 55 E N -0.910 119.285 120.200 -0.008 0.000 2.759 55 E HA -0.212 4.138 4.350 0.000 0.000 0.280 55 E C 0.908 177.501 176.600 -0.010 0.000 1.009 55 E CA 0.975 57.371 56.400 -0.007 0.000 0.849 55 E CB -1.686 28.012 29.700 -0.002 0.000 1.415 55 E HN 2.158 nan 8.360 nan 0.000 0.412 56 S N -1.526 114.157 115.700 -0.028 0.000 3.631 56 S HA -0.217 4.253 4.470 0.000 0.000 0.366 56 S C -0.057 174.549 174.600 0.010 0.000 0.993 56 S CA 1.425 59.610 58.200 -0.025 0.000 1.167 56 S CB -1.117 62.089 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 0.127 174.839 174.700 0.021 0.000 1.000 57 T CA -0.394 61.717 62.100 0.019 0.000 0.978 57 T CB 1.845 70.718 68.868 0.009 0.000 0.997 57 T HN 0.659 nan 8.240 nan 0.000 0.443 58 V N 1.631 121.591 119.914 0.076 0.000 2.581 58 V HA 0.770 4.890 4.120 0.000 0.000 0.303 58 V C -0.217 175.935 176.094 0.096 0.000 1.041 58 V CA -1.330 61.034 62.300 0.108 0.000 0.907 58 V CB 1.647 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 2.594 123.148 120.500 0.091 0.000 2.312 59 R HA 0.742 5.082 4.340 0.000 0.000 0.311 59 R C -0.103 176.235 176.300 0.064 0.000 1.004 59 R CA 0.378 56.514 56.100 0.061 0.000 0.902 59 R CB 1.465 31.792 30.300 0.045 0.000 1.073 59 R HN 1.174 nan 8.270 nan 0.000 0.457 60 T N 2.092 116.677 114.554 0.052 0.000 2.901 60 T HA 0.509 4.859 4.350 0.000 0.000 0.293 60 T C 0.046 174.767 174.700 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 69.977 68.868 0.065 0.000 1.170 60 T HN 0.581 nan 8.240 nan 0.000 0.509 61 I N 0.392 120.982 120.570 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 -1.378 59.937 61.300 0.025 0.000 1.191 61 I CB 1.073 39.085 38.000 0.020 0.000 1.343 61 I HN 0.881 nan 8.210 nan 0.000 0.458 62 A N 7.040 129.872 122.820 0.021 0.000 2.477 62 A HA 0.369 4.689 4.320 0.000 0.000 0.246 62 A C 0.836 178.433 177.584 0.022 0.000 1.078 62 A CA -0.308 51.742 52.037 0.021 0.000 0.770 62 A CB 0.411 19.419 19.000 0.013 0.000 1.011 62 A HN 0.846 nan 8.150 nan 0.000 0.494 63 M N 1.180 120.796 119.600 0.025 0.000 2.563 63 M HA 0.194 4.674 4.480 0.000 0.000 0.231 63 M C -0.021 176.290 176.300 0.019 0.000 1.136 63 M CA 0.495 55.810 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 -1.436 118.974 120.400 0.015 0.000 2.865 64 D HA 0.387 5.027 4.640 0.000 0.000 0.343 64 D C -0.528 175.777 176.300 0.009 0.000 1.372 64 D CA -0.211 53.796 54.000 0.012 0.000 0.862 64 D CB 0.596 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 -0.686 108.118 108.800 0.007 0.000 2.391 65 G HA2 0.329 4.289 3.960 0.000 0.000 0.234 65 G HA3 0.329 4.289 3.960 0.000 0.000 0.234 65 G C 0.833 175.735 174.900 0.003 0.000 1.284 65 G CA 0.756 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 -0.948 113.607 114.554 0.002 0.000 3.105 66 T HA 0.209 4.559 4.350 0.000 0.000 0.253 66 T C 0.345 175.044 174.700 -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 1.552 121.751 120.200 -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 0.503 56.902 56.400 -0.002 0.000 0.921 67 E CB -0.366 29.334 29.700 -0.001 0.000 0.950 67 E HN 0.272 nan 8.360 nan 0.000 0.438 68 G N 1.339 110.136 108.800 -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 0.232 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 0.115 121.333 121.223 -0.008 0.000 2.452 69 L HA 0.554 4.894 4.340 0.000 0.000 0.267 69 L C 0.675 177.537 176.870 -0.014 0.000 1.188 69 L CA -0.529 54.304 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 1.708 121.612 119.914 -0.018 0.000 2.823 70 V HA 0.392 4.512 4.120 0.000 0.000 0.312 70 V C -0.037 176.042 176.094 -0.025 0.000 1.072 70 V CA -0.969 61.319 62.300 -0.019 0.000 0.937 70 V CB 1.960 33.772 31.823 -0.018 0.000 1.013 70 V HN 0.632 nan 8.190 nan 0.000 0.430 71 R N 1.661 122.146 120.500 -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 1.301 57.383 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 1.647 110.419 108.800 -0.047 0.000 2.234 72 G HA2 -0.319 3.641 3.960 0.000 0.000 0.235 72 G HA3 -0.319 3.641 3.960 0.000 0.000 0.235 72 G C 0.225 175.091 174.900 -0.057 0.000 0.997 72 G CA -0.019 45.050 45.100 -0.051 0.000 0.623 72 G HN 0.595 nan 8.290 nan 0.000 0.514 73 Q N 1.053 120.822 119.800 -0.051 0.000 2.369 73 Q HA 0.359 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 0.460 nan 8.270 nan 0.000 0.417 74 K N 1.221 121.586 120.400 -0.059 0.000 2.185 74 K HA 0.427 4.747 4.320 0.000 0.000 0.271 74 K C -1.283 175.277 176.600 -0.066 0.000 1.013 74 K CA -0.440 55.804 56.287 -0.072 0.000 0.943 74 K CB 1.274 33.745 32.500 -0.048 0.000 0.998 74 K HN 0.316 nan 8.250 nan 0.000 0.468 75 V N 4.214 124.073 119.914 -0.090 0.000 2.655 75 V HA 0.256 4.376 4.120 0.000 0.000 0.301 75 V C -0.939 175.171 176.094 0.026 0.000 1.082 75 V CA -0.809 61.463 62.300 -0.046 0.000 0.899 75 V CB 1.628 33.398 31.823 -0.089 0.000 1.014 75 V HN 0.601 nan 8.190 nan 0.000 0.429 76 L N 3.542 124.817 121.223 0.086 0.000 2.275 76 L HA 0.485 4.825 4.340 0.000 0.000 0.288 76 L C -0.008 176.972 176.870 0.184 0.000 1.046 76 L CA -0.525 54.399 54.840 0.140 0.000 0.805 76 L CB 1.493 43.595 42.059 0.072 0.000 1.193 76 L HN 0.657 nan 8.230 nan 0.000 0.426 77 D N 1.518 122.051 120.400 0.223 0.000 2.401 77 D HA -0.048 4.592 4.640 0.000 0.000 0.254 77 D C 1.188 177.509 176.300 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 0.521 nan 8.370 nan 0.000 0.478 78 S N 2.985 118.702 115.700 0.028 0.000 2.547 78 S HA 0.053 4.523 4.470 0.000 0.000 0.235 78 S C 1.771 176.364 174.600 -0.010 0.000 0.980 78 S CA 0.579 58.784 58.200 0.008 0.000 0.941 78 S CB -0.584 62.620 63.200 0.008 0.000 0.763 78 S HN 1.067 nan 8.310 nan 0.000 0.532 79 G N -0.003 108.784 108.800 -0.022 0.000 2.148 79 G HA2 0.074 4.034 3.960 0.000 0.000 0.254 79 G HA3 0.074 4.034 3.960 0.000 0.000 0.254 79 G C 0.173 175.061 174.900 -0.021 0.000 0.981 79 G CA -0.023 45.059 45.100 -0.030 0.000 0.670 79 G HN 1.745 nan 8.290 nan 0.000 0.528 80 A N -1.064 121.750 122.820 -0.009 0.000 2.597 80 A HA 0.821 5.142 4.320 0.000 0.000 0.292 80 A C -2.862 174.736 177.584 0.023 0.000 1.057 80 A CA -0.432 51.606 52.037 0.003 0.000 0.674 80 A CB 1.181 20.183 19.000 0.004 0.000 1.278 80 A HN 0.236 nan 8.150 nan 0.000 0.416 81 P HA 0.274 nan 4.420 nan 0.000 0.271 81 P C -0.147 177.208 177.300 0.092 0.000 1.238 81 P CA 0.015 63.172 63.100 0.094 0.000 0.794 81 P CB 0.200 31.997 31.700 0.162 0.000 0.959 82 I N 1.133 121.771 120.570 0.113 0.000 2.821 82 I HA -0.088 4.082 4.170 0.000 0.000 0.294 82 I C 1.290 177.440 176.117 0.055 0.000 1.210 82 I CA 0.942 62.282 61.300 0.067 0.000 1.430 82 I CB -0.265 37.767 38.000 0.053 0.000 1.356 82 I HN 0.115 nan 8.210 nan 0.000 0.563 83 R N 7.545 128.082 120.500 0.062 0.000 2.494 83 R HA 0.681 5.021 4.340 0.000 0.000 0.305 83 R C -0.659 175.737 176.300 0.160 0.000 0.959 83 R CA -0.783 55.375 56.100 0.095 0.000 0.864 83 R CB 1.900 32.264 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 -2.447 173.620 176.117 -0.083 0.000 1.053 84 I CA -3.394 57.969 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 62.737 63.100 -0.860 0.000 0.780 85 P CB 0.479 31.879 31.700 -0.499 0.000 0.789 86 V N 1.270 120.798 119.914 -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 -0.281 61.627 62.300 -0.653 0.000 0.952 86 V CB 1.522 33.014 31.823 -0.552 0.000 1.020 86 V HN 0.882 nan 8.190 nan 0.000 0.439 87 G N 3.009 111.108 108.800 -1.168 0.000 2.361 87 G HA2 0.215 4.175 3.960 0.000 0.000 0.331 87 G HA3 0.215 4.175 3.960 0.000 0.000 0.331 87 G C -2.704 172.045 174.900 -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 -0.003 nan 4.420 nan 0.000 0.220 88 P C 1.166 178.458 177.300 -0.014 0.000 1.148 88 P CA 1.555 64.692 63.100 0.062 0.000 0.803 88 P CB 0.039 31.756 31.700 0.029 0.000 0.782 89 E N 0.098 120.265 120.200 -0.054 0.000 2.485 89 E HA -0.034 4.316 4.350 0.000 0.000 0.194 89 E C 1.086 177.658 176.600 -0.047 0.000 1.098 89 E CA 0.866 57.238 56.400 -0.047 0.000 0.878 89 E CB -1.228 28.440 29.700 -0.053 0.000 0.939 89 E HN 0.365 nan 8.360 nan 0.000 0.503 90 T N -1.762 112.771 114.554 -0.035 0.000 3.051 90 T HA 0.135 4.485 4.350 0.000 0.000 0.255 90 T C 1.094 175.825 174.700 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 2.072 123.332 121.223 0.062 0.000 2.525 91 L HA 0.412 4.752 4.340 0.000 0.000 0.278 91 L C 1.776 178.689 176.870 0.071 0.000 1.218 91 L CA 1.056 55.931 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 0.549 nan 8.230 nan 0.000 0.492 92 G N 1.231 110.093 108.800 0.103 0.000 2.189 92 G HA2 -0.234 3.726 3.960 0.000 0.000 0.267 92 G HA3 -0.234 3.726 3.960 0.000 0.000 0.267 92 G C 0.426 175.411 174.900 0.141 0.000 0.975 92 G CA -0.115 45.057 45.100 0.120 0.000 0.644 92 G HN 0.456 nan 8.290 nan 0.000 0.537 93 R N -0.397 120.165 120.500 0.104 0.000 2.782 93 R HA 0.791 5.131 4.340 0.000 0.000 0.258 93 R C 0.246 176.579 176.300 0.055 0.000 1.055 93 R CA -1.076 55.068 56.100 0.073 0.000 1.065 93 R CB 0.772 31.094 30.300 0.036 0.000 1.172 93 R HN 0.280 nan 8.270 nan 0.000 0.510 94 I N 1.467 122.033 120.570 -0.007 0.000 2.418 94 I HA 0.414 4.584 4.170 0.000 0.000 0.287 94 I C -0.009 176.110 176.117 0.002 0.000 1.008 94 I CA -0.359 60.931 61.300 -0.016 0.000 1.104 94 I CB 1.616 39.513 38.000 -0.172 0.000 1.264 94 I HN 0.219 nan 8.210 nan 0.000 0.438 95 M N 4.242 123.865 119.600 0.038 0.000 2.724 95 M HA 0.434 4.914 4.480 0.000 0.000 0.310 95 M C -0.309 176.018 176.300 0.045 0.000 1.217 95 M CA -0.627 54.687 55.300 0.024 0.000 0.894 95 M CB 2.097 34.699 32.600 0.003 0.000 1.719 95 M HN 0.481 nan 8.290 nan 0.000 0.479 96 N N -0.435 118.283 118.700 0.030 0.000 2.405 96 N HA 0.284 5.024 4.740 0.000 0.000 0.269 96 N C 0.681 176.201 175.510 0.017 0.000 1.249 96 N CA -0.311 52.758 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 0.454 120.378 119.914 0.018 0.000 2.427 97 V HA -0.151 3.969 4.120 0.000 0.000 0.248 97 V C 1.665 177.760 176.094 0.001 0.000 1.051 97 V CA 1.586 63.888 62.300 0.004 0.000 1.048 97 V CB -0.904 30.926 31.823 0.012 0.000 0.666 97 V HN 0.743 nan 8.190 nan 0.000 0.456 98 I N -0.932 119.647 120.570 0.015 0.000 3.806 98 I HA 0.609 4.779 4.170 0.000 0.000 0.321 98 I C 1.274 177.411 176.117 0.033 0.000 1.315 98 I CA 0.534 61.848 61.300 0.023 0.000 1.148 98 I CB -0.513 37.503 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 -0.208 174.716 174.900 0.041 0.000 1.005 99 G CA 0.057 45.175 45.100 0.029 0.000 0.713 99 G HN 0.685 nan 8.290 nan 0.000 0.515 100 E N 0.978 121.197 120.200 0.031 0.000 2.204 100 E HA 0.421 4.771 4.350 0.000 0.000 0.276 100 E C -2.378 174.232 176.600 0.016 0.000 0.974 100 E CA -2.188 54.229 56.400 0.030 0.000 0.815 100 E CB 1.698 31.412 29.700 0.025 0.000 1.119 100 E HN 0.136 nan 8.360 nan 0.000 0.393 101 P HA 0.006 nan 4.420 nan 0.000 0.269 101 P C 0.155 177.450 177.300 -0.009 0.000 1.209 101 P CA 0.395 63.495 63.100 -0.000 0.000 0.776 101 P CB 0.326 32.029 31.700 0.004 0.000 0.876 102 I N -1.479 119.073 120.570 -0.030 0.000 3.994 102 I HA 0.274 4.444 4.170 0.000 0.000 0.323 102 I C -0.012 176.052 176.117 -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 38.211 38.000 -0.038 0.000 1.254 102 I HN 0.005 nan 8.210 nan 0.000 0.495 103 D N -0.114 120.236 120.400 -0.083 0.000 2.395 103 D HA 0.034 4.674 4.640 0.000 0.000 0.213 103 D C 0.518 176.805 176.300 -0.021 0.000 1.110 103 D CA -0.058 53.880 54.000 -0.104 0.000 0.835 103 D CB -0.032 40.686 40.800 -0.137 0.000 0.965 103 D HN 0.245 nan 8.370 nan 0.000 0.505 104 E N 0.004 120.198 120.200 -0.010 0.000 2.791 104 E HA -0.256 4.094 4.350 0.000 0.000 0.271 104 E C 0.233 176.848 176.600 0.024 0.000 1.044 104 E CA 0.402 56.808 56.400 0.010 0.000 0.814 104 E CB -1.641 28.070 29.700 0.018 0.000 1.400 104 E HN 0.567 nan 8.360 nan 0.000 0.423 105 R N 0.038 120.553 120.500 0.026 0.000 2.586 105 R HA 0.336 4.676 4.340 0.000 0.000 0.336 105 R C 0.947 177.263 176.300 0.027 0.000 1.060 105 R CA 0.438 56.559 56.100 0.035 0.000 1.079 105 R CB 0.954 31.284 30.300 0.050 0.000 1.317 105 R HN 0.287 nan 8.270 nan 0.000 0.568 106 G N 2.208 111.021 108.800 0.021 0.000 2.756 106 G HA2 -0.195 3.765 3.960 0.000 0.000 0.678 106 G HA3 -0.195 3.765 3.960 0.000 0.000 0.678 106 G C -2.579 172.334 174.900 0.021 0.000 1.349 106 G CA -1.276 43.836 45.100 0.020 0.000 0.847 106 G HN 0.003 nan 8.290 nan 0.000 0.548 107 P HA 0.318 nan 4.420 nan 0.000 0.270 107 P C 0.070 177.384 177.300 0.024 0.000 1.221 107 P CA 0.101 63.220 63.100 0.032 0.000 0.788 107 P CB 0.334 32.057 31.700 0.039 0.000 0.904 108 I N 1.453 122.038 120.570 0.025 0.000 2.371 108 I HA 0.177 4.347 4.170 0.000 0.000 0.282 108 I C 0.799 176.909 176.117 -0.012 0.000 1.031 108 I CA -0.368 60.926 61.300 -0.009 0.000 1.180 108 I CB 0.556 38.533 38.000 -0.038 0.000 1.336 108 I HN 0.012 nan 8.210 nan 0.000 0.467 109 K N 5.693 126.087 120.400 -0.010 0.000 2.187 109 K HA 0.183 4.503 4.320 0.000 0.000 0.242 109 K C 0.245 176.819 176.600 -0.044 0.000 1.179 109 K CA -0.246 56.043 56.287 0.003 0.000 1.097 109 K CB -0.168 32.343 32.500 0.018 0.000 1.634 109 K HN 0.593 nan 8.250 nan 0.000 0.335 110 T N -1.773 112.708 114.554 -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 -0.489 0.000 0.996 110 T HN 0.289 nan 8.240 nan 0.000 0.513 111 K N 0.847 121.183 120.400 -0.106 0.000 2.103 111 K HA 0.005 4.325 4.320 0.000 0.000 0.204 111 K C 0.413 177.023 176.600 0.018 0.000 1.052 111 K CA 0.855 57.134 56.287 -0.014 0.000 0.945 111 K CB -0.097 32.404 32.500 0.003 0.000 0.722 111 K HN 0.606 nan 8.250 nan 0.000 0.443 112 Q N -0.423 119.318 119.800 -0.099 0.000 2.445 112 Q HA 0.531 4.871 4.340 0.000 0.000 0.281 112 Q C -1.035 174.772 176.000 -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 -0.183 119.727 119.950 -0.068 0.000 2.565 113 F HA 0.829 5.356 4.527 -0.000 0.000 0.313 113 F C -0.584 175.182 175.800 -0.056 0.000 1.091 113 F CA -0.824 57.134 58.000 -0.070 0.000 0.915 113 F CB 2.245 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 1.522 124.377 122.820 0.058 0.000 2.386 114 A HA 0.885 5.205 4.320 0.000 0.000 0.311 114 A C -1.143 176.463 177.584 0.036 0.000 1.068 114 A CA -0.753 51.300 52.037 0.026 0.000 0.743 114 A CB 1.137 20.113 19.000 -0.039 0.000 1.258 114 A HN 0.968 nan 8.150 nan 0.000 0.429 115 A N 1.443 124.284 122.820 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 1.601 nan 8.150 nan 0.000 0.499 116 I N -0.402 120.129 120.570 -0.065 0.000 2.756 116 I HA -0.038 4.132 4.170 0.000 0.000 0.262 116 I C 0.166 176.115 176.117 -0.279 0.000 1.225 116 I CA 0.688 61.877 61.300 -0.185 0.000 1.472 116 I CB -0.364 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 2.392 121.452 119.070 -0.017 0.000 2.517 117 H HA 0.796 5.352 4.556 0.000 0.000 0.317 117 H C -0.386 174.930 175.328 -0.020 0.000 1.080 117 H CA -0.069 55.968 56.048 -0.018 0.000 1.301 117 H CB 1.606 31.363 29.762 -0.008 0.000 1.425 117 H HN 0.429 nan 8.280 nan 0.000 0.471 118 A N 3.152 126.018 122.820 0.076 0.000 2.612 118 A HA 0.334 4.654 4.320 0.000 0.000 0.293 118 A C -0.681 176.917 177.584 0.023 0.000 1.075 118 A CA -0.934 51.126 52.037 0.037 0.000 0.680 118 A CB 1.557 20.559 19.000 0.004 0.000 1.279 118 A HN 0.521 nan 8.150 nan 0.000 0.411 119 E N 0.626 120.835 120.200 0.015 0.000 2.383 119 E HA 0.486 4.836 4.350 0.000 0.000 0.264 119 E C 0.472 177.073 176.600 0.001 0.000 1.050 119 E CA 0.236 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 3.765 126.587 122.820 0.002 0.000 2.322 120 A HA 0.426 4.746 4.320 0.000 0.000 0.269 120 A C -2.073 175.517 177.584 0.009 0.000 1.094 120 A CA -1.270 50.765 52.037 -0.003 0.000 0.807 120 A CB -0.365 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 0.350 63.456 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 1.381 121.604 120.200 0.039 0.000 2.392 122 E HA -0.001 4.349 4.350 0.000 0.000 0.256 122 E C 0.844 177.512 176.600 0.114 0.000 1.145 122 E CA -0.247 56.199 56.400 0.077 0.000 0.929 122 E CB 0.026 29.765 29.700 0.065 0.000 0.998 122 E HN 0.384 nan 8.360 nan 0.000 0.442 123 F N 1.839 121.789 119.950 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 1.560 59.561 58.000 0.002 0.000 1.255 123 F CB -0.194 38.808 39.000 0.003 0.000 0.997 123 F HN 0.244 nan 8.300 nan 0.000 0.479 124 V N -2.141 117.752 119.914 -0.036 0.000 3.541 124 V HA -0.018 4.102 4.120 0.000 0.000 0.272 124 V C 1.156 177.178 176.094 -0.120 0.000 1.215 124 V CA 1.347 63.562 62.300 -0.141 0.000 1.176 124 V CB -1.065 30.740 31.823 -0.030 0.000 0.854 124 V HN 0.430 nan 8.190 nan 0.000 0.496 125 E N -0.236 119.907 120.200 -0.094 0.000 2.489 125 E HA 0.255 4.605 4.350 0.000 0.000 0.204 125 E C 0.569 177.116 176.600 -0.088 0.000 1.006 125 E CA -0.342 56.017 56.400 -0.068 0.000 0.936 125 E CB 0.192 29.873 29.700 -0.031 0.000 1.002 125 E HN 0.472 nan 8.360 nan 0.000 0.488 126 M N 0.732 120.248 119.600 -0.139 0.000 2.245 126 M HA 0.144 4.624 4.480 0.000 0.000 0.330 126 M C 0.436 176.664 176.300 -0.120 0.000 1.098 126 M CA 0.275 55.499 55.300 -0.126 0.000 1.172 126 M CB 0.897 33.400 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 0.739 5.209 4.470 0.000 0.000 0.298 127 S C -0.102 174.469 174.600 -0.048 0.000 1.083 127 S CA -0.744 57.419 58.200 -0.061 0.000 0.978 127 S CB 1.260 64.436 63.200 -0.041 0.000 1.073 127 S HN 0.607 nan 8.310 nan 0.000 0.491 128 V N 0.304 120.195 119.914 -0.039 0.000 2.925 128 V HA 0.562 4.682 4.120 0.000 0.000 0.361 128 V C -0.303 175.784 176.094 -0.012 0.000 1.361 128 V CA -0.600 61.686 62.300 -0.024 0.000 1.184 128 V CB 0.175 31.982 31.823 -0.027 0.000 1.245 128 V HN 0.586 nan 8.190 nan 0.000 0.575 129 E N 2.029 122.223 120.200 -0.011 0.000 2.366 129 E HA 0.475 4.825 4.350 0.000 0.000 0.266 129 E C -0.345 176.258 176.600 0.005 0.000 1.051 129 E CA 0.177 56.575 56.400 -0.003 0.000 0.884 129 E CB 1.115 30.813 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 0.284 4.624 4.340 0.000 0.000 0.246 130 Q C -0.780 175.237 176.000 0.028 0.000 0.961 130 Q CA -0.188 55.627 55.803 0.020 0.000 0.708 130 Q CB 1.577 30.328 28.738 0.021 0.000 1.282 130 Q HN 0.366 nan 8.270 nan 0.000 0.482 131 E N 2.441 122.660 120.200 0.033 0.000 2.133 131 E HA 0.333 4.683 4.350 0.000 0.000 0.274 131 E C -0.441 176.193 176.600 0.056 0.000 0.930 131 E CA -0.608 55.816 56.400 0.041 0.000 0.770 131 E CB 2.205 31.928 29.700 0.037 0.000 1.104 131 E HN 0.517 nan 8.360 nan 0.000 0.403 132 I N 3.955 124.563 120.570 0.064 0.000 2.815 132 I HA -0.114 4.056 4.170 0.000 0.000 0.291 132 I C -0.524 175.644 176.117 0.084 0.000 1.209 132 I CA 0.298 61.647 61.300 0.081 0.000 1.431 132 I CB 0.415 38.471 38.000 0.093 0.000 1.351 132 I HN 0.459 nan 8.210 nan 0.000 0.585 133 L N 8.972 130.256 121.223 0.102 0.000 2.371 133 L HA 0.344 4.684 4.340 0.000 0.000 0.262 133 L C -0.603 176.316 176.870 0.080 0.000 1.054 133 L CA -0.411 54.490 54.840 0.102 0.000 0.924 133 L CB 0.841 42.983 42.059 0.138 0.000 1.295 133 L HN 0.354 nan 8.230 nan 0.000 0.441 134 V N 3.288 123.237 119.914 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 1.149 63.467 62.300 0.031 0.000 1.149 134 V CB 0.781 32.625 31.823 0.035 0.000 0.914 134 V HN 0.910 nan 8.190 nan 0.000 0.487 135 T N 0.008 114.540 114.554 -0.036 0.000 2.990 135 T HA 0.336 4.686 4.350 0.000 0.000 0.249 135 T C 1.358 176.032 174.700 -0.043 0.000 1.039 135 T CA 0.837 62.910 62.100 -0.045 0.000 1.036 135 T CB 0.674 69.460 68.868 -0.135 0.000 0.994 135 T HN 1.553 nan 8.240 nan 0.000 0.489 136 G N 1.816 110.596 108.800 -0.032 0.000 2.176 136 G HA2 -0.145 3.815 3.960 0.000 0.000 0.232 136 G HA3 -0.145 3.815 3.960 0.000 0.000 0.232 136 G C 0.011 174.908 174.900 -0.006 0.000 0.986 136 G CA -0.032 45.057 45.100 -0.018 0.000 0.643 136 G HN 0.612 nan 8.290 nan 0.000 0.522 137 I N 1.511 122.073 120.570 -0.014 0.000 2.312 137 I HA 0.230 4.400 4.170 0.000 0.000 0.291 137 I C 1.585 177.725 176.117 0.038 0.000 1.031 137 I CA -0.390 60.942 61.300 0.054 0.000 1.293 137 I CB 1.044 39.081 38.000 0.062 0.000 1.403 137 I HN 0.058 nan 8.210 nan 0.000 0.484 138 K N 3.937 124.365 120.400 0.046 0.000 2.000 138 K HA -0.177 4.143 4.320 0.000 0.000 0.218 138 K C 1.863 178.501 176.600 0.063 0.000 1.053 138 K CA 1.845 58.165 56.287 0.055 0.000 0.946 138 K CB -0.191 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 0.913 120.855 119.914 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 2.063 64.369 62.300 0.011 0.000 1.009 139 V CB -1.065 30.776 31.823 0.029 0.000 0.636 139 V HN 0.098 nan 8.190 nan 0.000 0.445 140 V N 0.725 120.635 119.914 -0.007 0.000 2.231 140 V HA -0.327 3.793 4.120 0.000 0.000 0.248 140 V C 2.489 178.539 176.094 -0.073 0.000 1.054 140 V CA 2.571 64.821 62.300 -0.083 0.000 1.015 140 V CB -0.951 30.700 31.823 -0.288 0.000 0.638 140 V HN 0.557 nan 8.190 nan 0.000 0.444 141 D N -0.292 120.071 120.400 -0.062 0.000 2.106 141 D HA -0.185 4.455 4.640 0.000 0.000 0.191 141 D C 2.003 178.397 176.300 0.157 0.000 0.997 141 D CA 1.561 55.575 54.000 0.023 0.000 0.834 141 D CB -0.464 40.345 40.800 0.015 0.000 0.956 141 D HN 0.325 nan 8.370 nan 0.000 0.448 142 L N 0.371 121.658 121.223 0.108 0.000 1.970 142 L HA -0.146 4.194 4.340 0.000 0.000 0.212 142 L C 2.200 179.163 176.870 0.155 0.000 1.071 142 L CA 1.688 56.617 54.840 0.148 0.000 0.751 142 L CB -0.433 41.615 42.059 -0.018 0.000 0.889 142 L HN 0.037 nan 8.230 nan 0.000 0.432 143 L N -1.599 119.635 121.223 0.019 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 -0.183 41.837 42.059 -0.065 0.000 0.996 143 L HN 0.282 nan 8.230 nan 0.000 0.467 144 A N 0.373 123.206 122.820 0.022 0.000 3.410 144 A HA 0.455 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 -1.017 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 -0.600 176.823 177.300 0.204 0.000 1.175 145 P CA 0.754 63.892 63.100 0.063 0.000 0.761 145 P CB 0.239 31.969 31.700 0.051 0.000 0.794 146 Y N 1.146 121.479 120.300 0.056 0.000 2.298 146 Y HA 0.510 5.060 4.550 0.000 0.000 0.329 146 Y C 0.964 176.885 175.900 0.034 0.000 1.293 146 Y CA -1.662 56.464 58.100 0.043 0.000 1.388 146 Y CB 0.268 38.754 38.460 0.042 0.000 1.309 146 Y HN 0.370 nan 8.280 nan 0.000 0.544 147 A N 2.198 125.132 122.820 0.190 0.000 2.356 147 A HA 0.463 4.783 4.320 0.000 0.000 0.310 147 A C -0.407 177.216 177.584 0.065 0.000 1.075 147 A CA -1.116 50.983 52.037 0.103 0.000 0.746 147 A CB 0.758 19.799 19.000 0.067 0.000 1.221 147 A HN 0.726 nan 8.150 nan 0.000 0.443 148 K N 0.971 121.406 120.400 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 1.718 58.026 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 2.304 111.093 108.800 -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 0.228 45.311 45.100 -0.029 0.000 0.644 149 G HN 0.904 nan 8.290 nan 0.000 0.537 150 G N -0.652 108.128 108.800 -0.033 0.000 2.557 150 G HA2 0.565 4.525 3.960 0.000 0.000 0.292 150 G HA3 0.565 4.525 3.960 0.000 0.000 0.292 150 G C -0.129 174.727 174.900 -0.074 0.000 1.237 150 G CA -0.605 44.474 45.100 -0.034 0.000 0.978 150 G HN 0.375 nan 8.290 nan 0.000 0.498 151 K N 0.106 120.468 120.400 -0.064 0.000 2.240 151 K HA 0.430 4.750 4.320 0.000 0.000 0.271 151 K C -0.818 175.708 176.600 -0.123 0.000 1.018 151 K CA -0.161 56.072 56.287 -0.091 0.000 0.874 151 K CB 1.813 34.287 32.500 -0.043 0.000 1.098 151 K HN 0.251 nan 8.250 nan 0.000 0.458 152 I N 1.026 121.471 120.570 -0.208 0.000 2.493 152 I HA 0.404 4.574 4.170 0.000 0.000 0.298 152 I C 0.270 176.246 176.117 -0.235 0.000 0.998 152 I CA -0.666 60.452 61.300 -0.303 0.000 1.137 152 I CB 2.224 39.852 38.000 -0.620 0.000 1.310 152 I HN 0.631 nan 8.210 nan 0.000 0.445 153 G N 6.105 114.805 108.800 -0.167 0.000 2.643 153 G HA2 0.671 4.631 3.960 0.000 0.000 0.305 153 G HA3 0.671 4.631 3.960 0.000 0.000 0.305 153 G C -1.158 173.685 174.900 -0.095 0.000 1.387 153 G CA -0.502 44.484 45.100 -0.191 0.000 0.982 153 G HN 0.417 nan 8.290 nan 0.000 0.501 154 L N 2.300 123.439 121.223 -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 1.512 121.449 119.950 -0.021 0.000 2.394 155 F HA 0.733 5.260 4.527 -0.000 0.000 0.340 155 F C 0.930 176.725 175.800 -0.008 0.000 1.105 155 F CA -0.251 57.720 58.000 -0.048 0.000 1.124 155 F CB 1.991 40.937 39.000 -0.090 0.000 1.145 155 F HN 0.444 nan 8.300 nan 0.000 0.505 156 G N 1.183 110.063 108.800 0.132 0.000 2.691 156 G HA2 0.477 4.437 3.960 0.000 0.000 0.298 156 G HA3 0.477 4.437 3.960 0.000 0.000 0.298 156 G C -0.718 174.167 174.900 -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 -0.337 108.425 108.800 -0.063 0.000 2.611 157 G HA2 0.662 4.622 3.960 0.000 0.000 0.273 157 G HA3 0.662 4.622 3.960 0.000 0.000 0.273 157 G C 0.763 175.679 174.900 0.026 0.000 1.305 157 G CA 0.365 45.369 45.100 -0.161 0.000 1.010 157 G HN 1.694 nan 8.290 nan 0.000 0.509 158 A N -1.266 121.634 122.820 0.134 0.000 2.492 158 A HA 0.523 4.843 4.320 0.000 0.000 0.254 158 A C 1.432 179.088 177.584 0.121 0.000 1.091 158 A CA 0.966 53.138 52.037 0.224 0.000 0.768 158 A CB -0.607 18.536 19.000 0.238 0.000 1.028 158 A HN 2.556 nan 8.150 nan 0.000 0.498 159 G N 1.049 109.916 108.800 0.111 0.000 2.272 159 G HA2 -0.094 3.866 3.960 0.000 0.000 0.280 159 G HA3 -0.094 3.866 3.960 0.000 0.000 0.280 159 G C 0.474 175.420 174.900 0.078 0.000 1.067 159 G CA 0.790 45.933 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 0.709 4.829 4.120 0.000 0.000 0.284 160 V C 1.687 177.879 176.094 0.163 0.000 1.386 160 V CA 1.023 63.397 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 0.575 109.451 108.800 0.128 0.000 2.273 161 G HA2 -0.173 3.787 3.960 0.000 0.000 0.162 161 G HA3 -0.173 3.787 3.960 0.000 0.000 0.162 161 G C 0.673 175.667 174.900 0.157 0.000 1.006 161 G CA 0.173 45.358 45.100 0.142 0.000 0.704 161 G HN 0.387 nan 8.290 nan 0.000 0.487 162 K N 0.200 120.683 120.400 0.139 0.000 2.001 162 K HA -0.113 4.207 4.320 0.000 0.000 0.214 162 K C 2.490 179.178 176.600 0.147 0.000 1.050 162 K CA 2.122 58.492 56.287 0.138 0.000 0.934 162 K CB -0.476 32.094 32.500 0.118 0.000 0.718 162 K HN 0.277 nan 8.250 nan 0.000 0.443 163 T N 1.268 115.905 114.554 0.139 0.000 2.746 163 T HA -0.100 4.250 4.350 0.000 0.000 0.267 163 T C 2.118 176.909 174.700 0.151 0.000 1.039 163 T CA 1.190 63.380 62.100 0.149 0.000 1.142 163 T CB -0.239 68.717 68.868 0.146 0.000 0.866 163 T HN -0.041 nan 8.240 nan 0.000 0.444 164 V N 1.510 121.519 119.914 0.159 0.000 2.287 164 V HA -0.130 3.990 4.120 0.000 0.000 0.248 164 V C 2.416 178.648 176.094 0.231 0.000 1.053 164 V CA 1.413 63.837 62.300 0.207 0.000 1.027 164 V CB -0.672 31.289 31.823 0.230 0.000 0.646 164 V HN 0.333 nan 8.190 nan 0.000 0.447 165 L N -0.435 120.954 121.223 0.277 0.000 2.079 165 L HA -0.160 4.180 4.340 0.000 0.000 0.210 165 L C 2.092 179.042 176.870 0.133 0.000 1.081 165 L CA 1.850 56.852 54.840 0.270 0.000 0.752 165 L CB -0.423 41.822 42.059 0.308 0.000 0.896 165 L HN 0.243 nan 8.230 nan 0.000 0.433 166 I N -1.577 119.075 120.570 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 0.511 61.871 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 -0.333 119.273 119.600 0.010 0.000 2.156 167 M HA -0.185 4.295 4.480 0.000 0.000 0.264 167 M C 2.127 178.366 176.300 -0.101 0.000 1.067 167 M CA 1.563 56.836 55.300 -0.045 0.000 1.131 167 M CB -1.191 31.424 32.600 0.026 0.000 1.368 167 M HN 0.128 nan 8.290 nan 0.000 0.416 168 E N 0.185 120.296 120.200 -0.147 0.000 2.285 168 E HA -0.045 4.305 4.350 0.000 0.000 0.194 168 E C 1.937 178.409 176.600 -0.214 0.000 0.997 168 E CA 0.637 56.865 56.400 -0.286 0.000 0.845 168 E CB -0.066 29.177 29.700 -0.762 0.000 0.782 168 E HN 0.446 nan 8.360 nan 0.000 0.491 169 L N -0.087 121.063 121.223 -0.122 0.000 2.179 169 L HA 0.008 4.348 4.340 0.000 0.000 0.208 169 L C 2.158 179.023 176.870 -0.009 0.000 1.096 169 L CA 0.529 55.370 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 -0.049 120.418 120.570 -0.172 0.000 2.252 170 I HA -0.295 3.875 4.170 0.000 0.000 0.245 170 I C 2.257 178.327 176.117 -0.079 0.000 1.102 170 I CA 1.326 62.482 61.300 -0.240 0.000 1.385 170 I CB -0.177 37.583 38.000 -0.399 0.000 1.064 170 I HN 0.349 nan 8.210 nan 0.000 0.414 171 N N 1.207 119.855 118.700 -0.087 0.000 2.051 171 N HA -0.174 4.566 4.740 0.000 0.000 0.192 171 N C 1.440 176.931 175.510 -0.031 0.000 1.049 171 N CA 1.617 54.632 53.050 -0.058 0.000 0.845 171 N CB -0.081 38.360 38.487 -0.077 0.000 1.031 171 N HN 0.118 nan 8.380 nan 0.000 0.425 172 N N -0.872 117.802 118.700 -0.044 0.000 2.573 172 N HA -0.028 4.712 4.740 0.000 0.000 0.187 172 N C 0.555 176.081 175.510 0.027 0.000 1.107 172 N CA 0.490 53.528 53.050 -0.021 0.000 0.918 172 N CB 0.441 38.896 38.487 -0.053 0.000 0.966 172 N HN 0.208 nan 8.380 nan 0.000 0.448 173 V N -1.385 118.567 119.914 0.064 0.000 3.261 173 V HA 0.242 4.362 4.120 0.000 0.000 0.212 173 V C 1.878 178.066 176.094 0.157 0.000 1.381 173 V CA 0.588 62.957 62.300 0.114 0.000 1.322 173 V CB -0.651 31.266 31.823 0.156 0.000 1.188 173 V HN 0.100 nan 8.190 nan 0.000 0.520 174 A N 0.550 123.482 122.820 0.187 0.000 1.883 174 A HA -0.229 4.091 4.320 0.000 0.000 0.217 174 A C 2.091 179.775 177.584 0.166 0.000 1.186 174 A CA 2.307 54.481 52.037 0.229 0.000 0.624 174 A CB -0.491 18.657 19.000 0.247 0.000 0.822 174 A HN 0.510 nan 8.150 nan 0.000 0.444 175 K N -0.598 119.858 120.400 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 0.581 123.446 122.820 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 0.349 nan 8.150 nan 0.000 0.463 177 H N 0.753 119.832 119.070 0.015 0.000 3.214 177 H HA 0.226 4.782 4.556 0.000 0.000 0.291 177 H C 0.788 176.090 175.328 -0.043 0.000 0.926 177 H CA 0.522 56.570 56.048 -0.001 0.000 1.409 177 H CB 0.336 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 3.795 112.219 108.800 -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 -0.108 174.316 174.900 -0.794 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 0.839 109.216 108.800 -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 -0.391 0.000 1.297 179 G CA -0.961 43.789 45.100 -0.582 0.000 0.853 179 G HN 0.276 nan 8.290 nan 0.000 0.535 180 Y N 0.016 120.318 120.300 0.005 0.000 2.344 180 Y HA 0.759 5.309 4.550 -0.000 0.000 0.330 180 Y C 1.077 177.042 175.900 0.108 0.000 1.330 180 Y CA -0.365 57.702 58.100 -0.055 0.000 1.479 180 Y CB 1.498 39.683 38.460 -0.459 0.000 1.428 180 Y HN 0.478 nan 8.280 nan 0.000 0.544 181 S N -0.206 115.668 115.700 0.290 0.000 2.540 181 S HA 0.692 5.162 4.470 0.000 0.000 0.275 181 S C -1.653 173.121 174.600 0.290 0.000 1.123 181 S CA -0.819 57.537 58.200 0.260 0.000 0.907 181 S CB 1.860 65.259 63.200 0.333 0.000 1.081 181 S HN 0.299 nan 8.310 nan 0.000 0.476 182 V N 3.089 123.158 119.914 0.259 0.000 2.525 182 V HA 0.535 4.655 4.120 0.000 0.000 0.299 182 V C -1.393 174.853 176.094 0.255 0.000 1.034 182 V CA -0.625 61.816 62.300 0.235 0.000 0.863 182 V CB 1.364 33.286 31.823 0.164 0.000 0.999 182 V HN 0.849 nan 8.190 nan 0.000 0.423 183 F N 4.464 124.485 119.950 0.118 0.000 2.375 183 F HA 0.803 5.330 4.527 0.000 0.000 0.361 183 F C 0.282 176.013 175.800 -0.115 0.000 1.117 183 F CA -0.665 57.387 58.000 0.087 0.000 1.037 183 F CB 1.167 40.224 39.000 0.095 0.000 1.192 183 F HN 0.578 nan 8.300 nan 0.000 0.452 184 A N 4.659 127.241 122.820 -0.396 0.000 2.258 184 A HA 0.648 4.968 4.320 0.000 0.000 0.316 184 A C 0.105 177.394 177.584 -0.493 0.000 1.279 184 A CA -0.296 51.520 52.037 -0.369 0.000 0.876 184 A CB 0.127 18.962 19.000 -0.275 0.000 1.170 184 A HN 1.007 nan 8.150 nan 0.000 0.520 185 G N 1.399 109.887 108.800 -0.521 0.000 2.350 185 G HA2 0.499 4.459 3.960 0.000 0.000 0.306 185 G HA3 0.499 4.459 3.960 0.000 0.000 0.306 185 G C -0.592 174.254 174.900 -0.090 0.000 1.094 185 G CA -0.194 44.782 45.100 -0.206 0.000 0.953 185 G HN 0.709 nan 8.290 nan 0.000 0.420 186 V N 2.734 122.616 119.914 -0.052 0.000 2.334 186 V HA 0.583 4.703 4.120 0.000 0.000 0.281 186 V C 1.179 177.292 176.094 0.032 0.000 1.016 186 V CA 0.279 62.572 62.300 -0.013 0.000 0.832 186 V CB 0.736 32.538 31.823 -0.034 0.000 0.999 186 V HN 1.349 nan 8.190 nan 0.000 0.439 187 G N 3.327 112.155 108.800 0.047 0.000 2.258 187 G HA2 -0.197 3.763 3.960 0.000 0.000 0.274 187 G HA3 -0.197 3.763 3.960 0.000 0.000 0.274 187 G C 0.213 175.148 174.900 0.058 0.000 1.021 187 G CA 0.472 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 -0.613 119.646 120.200 0.100 0.000 3.029 188 E HA 0.440 4.790 4.350 0.000 0.000 0.249 188 E C 0.959 177.624 176.600 0.109 0.000 1.089 188 E CA -0.872 55.593 56.400 0.109 0.000 1.089 188 E CB 0.461 30.250 29.700 0.147 0.000 1.428 188 E HN 0.392 nan 8.360 nan 0.000 0.555 189 R N 0.370 120.934 120.500 0.107 0.000 2.298 189 R HA 0.191 4.531 4.340 0.000 0.000 0.310 189 R C 1.149 177.490 176.300 0.068 0.000 1.068 189 R CA -0.001 56.146 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 0.408 nan 8.270 nan 0.000 0.454 190 T N 2.461 117.035 114.554 0.033 0.000 2.684 190 T HA -0.209 4.141 4.350 0.000 0.000 0.267 190 T C 1.815 176.494 174.700 -0.035 0.000 1.036 190 T CA 1.548 63.638 62.100 -0.018 0.000 1.148 190 T CB -0.147 68.706 68.868 -0.024 0.000 0.863 190 T HN 0.591 nan 8.240 nan 0.000 0.436 191 R N 1.165 121.665 120.500 0.000 0.000 2.140 191 R HA -0.205 4.135 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 2.118 58.222 56.100 0.008 0.000 0.966 191 R CB -0.242 30.076 30.300 0.029 0.000 0.869 191 R HN 0.510 nan 8.270 nan 0.000 0.445 192 E N -1.000 119.216 120.200 0.025 0.000 2.110 192 E HA -0.127 4.223 4.350 0.000 0.000 0.193 192 E C 1.915 178.510 176.600 -0.007 0.000 0.988 192 E CA 1.061 57.485 56.400 0.041 0.000 0.804 192 E CB -0.175 29.587 29.700 0.103 0.000 0.745 192 E HN 0.667 nan 8.360 nan 0.000 0.458 193 G N 0.933 109.675 108.800 -0.097 0.000 2.422 193 G HA2 -0.289 3.671 3.960 0.000 0.000 0.218 193 G HA3 -0.289 3.671 3.960 0.000 0.000 0.218 193 G C 1.399 176.132 174.900 -0.279 0.000 1.140 193 G CA 0.807 45.690 45.100 -0.363 0.000 0.775 193 G HN 0.174 nan 8.290 nan 0.000 0.545 194 N N 0.336 118.931 118.700 -0.175 0.000 2.216 194 N HA -0.059 4.681 4.740 0.000 0.000 0.183 194 N C 1.634 177.158 175.510 0.023 0.000 1.017 194 N CA 1.235 54.243 53.050 -0.071 0.000 0.861 194 N CB 0.018 38.505 38.487 -0.000 0.000 0.986 194 N HN 0.077 nan 8.380 nan 0.000 0.428 195 D N 0.099 120.508 120.400 0.015 0.000 2.097 195 D HA -0.133 4.507 4.640 0.000 0.000 0.197 195 D C 1.885 178.188 176.300 0.005 0.000 0.984 195 D CA 0.623 54.644 54.000 0.035 0.000 0.826 195 D CB -0.442 40.373 40.800 0.025 0.000 0.973 195 D HN 0.234 nan 8.370 nan 0.000 0.460 196 L N -0.011 121.184 121.223 -0.046 0.000 1.994 196 L HA -0.185 4.155 4.340 0.000 0.000 0.208 196 L C 2.277 179.124 176.870 -0.039 0.000 1.071 196 L CA 1.510 56.292 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 0.493 120.677 120.300 -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 60.377 58.100 -0.218 0.000 1.123 197 Y CB -0.999 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 -0.998 118.018 119.070 -0.090 0.000 2.489 198 H HA -0.101 4.456 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 1.162 57.090 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 -0.275 119.920 120.200 -0.007 0.000 2.086 199 E HA -0.105 4.245 4.350 0.000 0.000 0.190 199 E C 1.792 178.357 176.600 -0.058 0.000 0.975 199 E CA 0.473 56.853 56.400 -0.033 0.000 0.813 199 E CB 0.226 29.901 29.700 -0.040 0.000 0.768 199 E HN 0.282 nan 8.360 nan 0.000 0.457 200 M N 0.214 119.770 119.600 -0.073 0.000 2.080 200 M HA -0.177 4.303 4.480 0.000 0.000 0.260 200 M C 2.221 178.475 176.300 -0.076 0.000 1.068 200 M CA 1.510 56.773 55.300 -0.060 0.000 1.109 200 M CB -0.847 31.733 32.600 -0.033 0.000 1.342 200 M HN 0.182 nan 8.290 nan 0.000 0.405 201 I N -0.222 120.263 120.570 -0.142 0.000 2.113 201 I HA -0.254 3.916 4.170 0.000 0.000 0.238 201 I C 2.292 178.362 176.117 -0.078 0.000 1.070 201 I CA 1.055 62.273 61.300 -0.137 0.000 1.332 201 I CB -0.466 37.404 38.000 -0.216 0.000 1.044 201 I HN 0.224 nan 8.210 nan 0.000 0.402 202 E N 0.701 120.861 120.200 -0.066 0.000 2.333 202 E HA -0.189 4.161 4.350 0.000 0.000 0.200 202 E C 1.786 178.361 176.600 -0.042 0.000 1.010 202 E CA 1.459 57.829 56.400 -0.050 0.000 0.841 202 E CB -0.256 29.417 29.700 -0.045 0.000 0.757 202 E HN 0.550 nan 8.360 nan 0.000 0.508 203 S N -2.236 113.440 115.700 -0.040 0.000 2.663 203 S HA 0.356 4.826 4.470 0.000 0.000 0.243 203 S C 1.374 175.961 174.600 -0.022 0.000 1.009 203 S CA 0.346 58.528 58.200 -0.030 0.000 0.988 203 S CB 0.625 63.808 63.200 -0.029 0.000 0.896 203 S HN 0.194 nan 8.310 nan 0.000 0.502 204 G N 1.248 110.032 108.800 -0.026 0.000 2.186 204 G HA2 -0.349 3.611 3.960 0.000 0.000 0.266 204 G HA3 -0.349 3.611 3.960 0.000 0.000 0.266 204 G C 0.798 175.696 174.900 -0.004 0.000 0.982 204 G CA 0.560 45.650 45.100 -0.016 0.000 0.670 204 G HN 0.937 nan 8.290 nan 0.000 0.533 205 V N -0.560 119.353 119.914 -0.001 0.000 2.626 205 V HA 0.193 4.313 4.120 0.000 0.000 0.252 205 V C 1.591 177.706 176.094 0.036 0.000 1.067 205 V CA 1.487 63.801 62.300 0.024 0.000 1.081 205 V CB -0.247 31.596 31.823 0.033 0.000 0.686 205 V HN 0.506 nan 8.190 nan 0.000 0.468 206 I N 1.286 121.863 120.570 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 -0.004 0.000 0.992 206 I CA -0.220 61.093 61.300 0.021 0.000 1.149 206 I CB 1.646 39.651 38.000 0.008 0.000 1.315 206 I HN 0.089 nan 8.210 nan 0.000 0.446 207 N N 6.650 125.359 118.700 0.016 0.000 2.442 207 N HA 0.367 5.107 4.740 0.000 0.000 0.274 207 N C 0.162 175.682 175.510 0.017 0.000 1.002 207 N CA -0.401 52.654 53.050 0.008 0.000 0.910 207 N CB 1.817 40.313 38.487 0.015 0.000 1.244 207 N HN 0.558 nan 8.380 nan 0.000 0.492 208 L N 2.151 123.378 121.223 0.007 0.000 2.509 208 L HA 0.134 4.474 4.340 0.000 0.000 0.222 208 L C 1.712 178.596 176.870 0.023 0.000 1.123 208 L CA 0.462 55.316 54.840 0.024 0.000 0.856 208 L CB 0.048 42.119 42.059 0.019 0.000 0.985 208 L HN 0.274 nan 8.230 nan 0.000 0.456 209 K N 0.029 120.438 120.400 0.015 0.000 2.276 209 K HA 0.103 4.423 4.320 0.000 0.000 0.198 209 K C 0.283 176.892 176.600 0.015 0.000 1.052 209 K CA 0.508 56.803 56.287 0.013 0.000 0.984 209 K CB 0.214 32.718 32.500 0.007 0.000 0.836 209 K HN 0.405 nan 8.250 nan 0.000 0.490 210 D N -1.530 118.879 120.400 0.016 0.000 2.727 210 D HA 0.338 4.978 4.640 0.000 0.000 0.264 210 D C -0.508 175.806 176.300 0.023 0.000 1.101 210 D CA -0.817 53.194 54.000 0.018 0.000 1.122 210 D CB 0.438 41.247 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 0.935 178.541 177.584 0.038 0.000 1.369 211 A CA 0.208 52.263 52.037 0.031 0.000 0.968 211 A CB -1.210 17.807 19.000 0.029 0.000 1.069 211 A HN 0.563 nan 8.150 nan 0.000 0.571 212 T N -2.954 111.621 114.554 0.034 0.000 3.163 212 T HA 0.177 4.527 4.350 0.000 0.000 0.252 212 T C 0.555 175.285 174.700 0.049 0.000 1.056 212 T CA 0.069 62.190 62.100 0.036 0.000 0.947 212 T CB -0.349 68.531 68.868 0.020 0.000 1.016 212 T HN 0.156 nan 8.240 nan 0.000 0.554 213 S N 1.760 117.495 115.700 0.058 0.000 2.533 213 S HA 0.247 4.717 4.470 0.000 0.000 0.282 213 S C 0.792 175.460 174.600 0.112 0.000 1.304 213 S CA -0.378 57.866 58.200 0.073 0.000 1.063 213 S CB 0.851 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 1.968 122.440 120.400 0.120 0.000 2.478 214 K HA 0.308 4.628 4.320 0.000 0.000 0.205 214 K C -1.131 175.590 176.600 0.202 0.000 1.033 214 K CA 0.091 56.484 56.287 0.177 0.000 1.091 214 K CB 0.577 33.136 32.500 0.098 0.000 0.844 214 K HN 0.382 nan 8.250 nan 0.000 0.507 215 V N 0.936 120.952 119.914 0.170 0.000 2.655 215 V HA 0.406 4.526 4.120 0.000 0.000 0.301 215 V C -0.791 175.411 176.094 0.180 0.000 1.082 215 V CA -1.213 61.202 62.300 0.193 0.000 0.899 215 V CB 1.561 33.492 31.823 0.180 0.000 1.014 215 V HN 0.139 nan 8.190 nan 0.000 0.429 216 A N 5.558 128.502 122.820 0.206 0.000 2.303 216 A HA 0.968 5.288 4.320 0.000 0.000 0.317 216 A C -0.803 176.890 177.584 0.181 0.000 1.149 216 A CA -0.455 51.691 52.037 0.181 0.000 0.822 216 A CB 0.819 19.938 19.000 0.199 0.000 1.131 216 A HN 0.814 nan 8.150 nan 0.000 0.493 217 L N 1.679 122.995 121.223 0.154 0.000 2.362 217 L HA 0.698 5.038 4.340 0.000 0.000 0.271 217 L C -0.955 175.973 176.870 0.097 0.000 1.002 217 L CA -0.899 54.043 54.840 0.170 0.000 0.818 217 L CB 2.141 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 1.796 121.688 119.914 -0.036 0.000 2.638 218 V HA 0.506 4.626 4.120 0.000 0.000 0.306 218 V C -1.410 174.535 176.094 -0.248 0.000 1.052 218 V CA -0.723 61.542 62.300 -0.058 0.000 0.885 218 V CB 1.992 33.767 31.823 -0.080 0.000 0.999 218 V HN 0.457 nan 8.190 nan 0.000 0.424 219 Y N 1.218 121.532 120.300 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 41.311 38.460 0.013 0.000 1.246 219 Y HN 0.730 nan 8.280 nan 0.000 0.449 220 G N 3.568 112.462 108.800 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 -0.850 174.111 174.900 0.102 0.000 1.223 220 G CA -0.581 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 0.535 120.417 119.800 0.136 0.000 2.584 221 Q HA 0.205 4.545 4.340 0.000 0.000 0.218 221 Q C 1.823 177.859 176.000 0.062 0.000 1.079 221 Q CA -0.346 55.526 55.803 0.114 0.000 1.008 221 Q CB 0.727 29.536 28.738 0.118 0.000 1.267 221 Q HN 0.455 nan 8.270 nan 0.000 0.586 222 M N 0.766 120.397 119.600 0.051 0.000 2.530 222 M HA -0.195 4.285 4.480 0.000 0.000 0.261 222 M C 1.149 177.461 176.300 0.021 0.000 1.067 222 M CA 1.410 56.727 55.300 0.029 0.000 1.071 222 M CB -0.568 32.048 32.600 0.026 0.000 1.405 222 M HN 0.599 nan 8.290 nan 0.000 0.478 223 N N -0.563 118.151 118.700 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 52.839 53.050 0.016 0.000 0.845 223 N CB 0.296 38.791 38.487 0.013 0.000 0.976 223 N HN 0.160 nan 8.380 nan 0.000 0.475 224 E N 1.569 121.780 120.200 0.018 0.000 2.250 224 E HA 0.354 4.704 4.350 0.000 0.000 0.269 224 E C -2.417 174.188 176.600 0.007 0.000 1.018 224 E CA -2.197 54.212 56.400 0.015 0.000 0.873 224 E CB 0.829 30.542 29.700 0.022 0.000 1.134 224 E HN 0.099 nan 8.360 nan 0.000 0.403 225 P HA 0.096 nan 4.420 nan 0.000 0.275 225 P C -1.876 175.421 177.300 -0.005 0.000 1.228 225 P CA -1.129 61.971 63.100 0.000 0.000 0.786 225 P CB 0.079 31.781 31.700 0.003 0.000 0.927 226 P HA -0.322 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 2.472 65.555 63.100 -0.029 0.000 0.909 226 P CB -0.741 30.938 31.700 -0.036 0.000 0.793 227 G N 0.391 109.186 108.800 -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 0.445 nan 8.290 nan 0.000 0.573 228 A N 0.448 123.277 122.820 0.016 0.000 1.902 228 A HA -0.024 4.296 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 1.730 53.780 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 -0.759 119.749 120.500 0.013 0.000 2.148 229 R HA -0.010 4.330 4.340 0.000 0.000 0.227 229 R C 2.127 178.446 176.300 0.032 0.000 1.103 229 R CA 0.934 57.041 56.100 0.011 0.000 0.983 229 R CB -0.299 29.993 30.300 -0.014 0.000 0.874 229 R HN 0.507 nan 8.270 nan 0.000 0.451 230 A N 0.330 123.164 122.820 0.022 0.000 2.206 230 A HA 0.005 4.325 4.320 0.000 0.000 0.211 230 A C 1.665 179.369 177.584 0.200 0.000 1.158 230 A CA 0.672 52.740 52.037 0.052 0.000 0.761 230 A CB 0.146 19.122 19.000 -0.041 0.000 0.801 230 A HN 0.069 nan 8.150 nan 0.000 0.473 231 R N -1.137 119.428 120.500 0.109 0.000 2.310 231 R HA 0.065 4.405 4.340 0.000 0.000 0.199 231 R C 1.929 178.228 176.300 -0.003 0.000 0.891 231 R CA 1.253 57.388 56.100 0.059 0.000 1.060 231 R CB -0.869 29.451 30.300 0.033 0.000 1.188 231 R HN 0.426 nan 8.270 nan 0.000 0.607 232 V N 0.706 120.620 119.914 -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 64.482 62.300 -0.037 0.000 1.047 232 V CB -1.516 30.288 31.823 -0.030 0.000 0.649 232 V HN 0.201 nan 8.190 nan 0.000 0.447 233 A N 0.659 123.426 122.820 -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 2.367 54.303 52.037 -0.168 0.000 0.636 233 A CB -0.641 18.219 19.000 -0.233 0.000 0.815 233 A HN 0.589 nan 8.150 nan 0.000 0.449 234 L N -1.154 119.958 121.223 -0.186 0.000 2.017 234 L HA -0.162 4.178 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 1.894 56.604 54.840 -0.217 0.000 0.745 234 L CB -1.280 40.619 42.059 -0.268 0.000 0.894 234 L HN 0.349 nan 8.230 nan 0.000 0.432 235 T N -0.026 114.441 114.554 -0.144 0.000 2.665 235 T HA -0.173 4.177 4.350 0.000 0.000 0.268 235 T C 1.818 176.444 174.700 -0.124 0.000 1.035 235 T CA 1.549 63.578 62.100 -0.119 0.000 1.151 235 T CB -0.663 68.155 68.868 -0.083 0.000 0.862 235 T HN 0.579 nan 8.240 nan 0.000 0.438 236 G N 1.595 110.319 108.800 -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 1.554 176.377 174.900 -0.128 0.000 1.183 236 G CA 1.166 46.190 45.100 -0.126 0.000 0.776 236 G HN 0.482 nan 8.290 nan 0.000 0.552 237 L N 0.811 121.943 121.223 -0.152 0.000 2.079 237 L HA -0.025 4.315 4.340 0.000 0.000 0.210 237 L C 2.773 179.564 176.870 -0.132 0.000 1.081 237 L CA 2.804 57.555 54.840 -0.149 0.000 0.752 237 L CB -0.974 40.977 42.059 -0.180 0.000 0.896 237 L HN 0.187 nan 8.230 nan 0.000 0.433 238 T N -0.891 113.579 114.554 -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 1.602 63.623 62.100 -0.132 0.000 1.142 238 T CB -0.431 68.359 68.868 -0.130 0.000 0.866 238 T HN 0.232 nan 8.240 nan 0.000 0.444 239 V N 1.795 121.603 119.914 -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 -0.268 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 -0.276 4.044 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 2.030 54.059 52.037 -0.014 0.000 0.627 240 A CB -0.552 18.447 19.000 -0.002 0.000 0.818 240 A HN 0.667 nan 8.150 nan 0.000 0.445 241 E N -1.753 118.402 120.200 -0.075 0.000 2.204 241 E HA -0.215 4.135 4.350 0.000 0.000 0.195 241 E C 1.739 178.304 176.600 -0.058 0.000 0.990 241 E CA 1.327 57.694 56.400 -0.056 0.000 0.821 241 E CB -0.328 29.335 29.700 -0.061 0.000 0.750 241 E HN 0.844 nan 8.360 nan 0.000 0.477 242 Y N 0.688 120.837 120.300 -0.252 0.000 2.114 242 Y HA -0.260 4.290 4.550 -0.000 0.000 0.284 242 Y C 1.737 177.549 175.900 -0.146 0.000 1.143 242 Y CA 1.586 59.518 58.100 -0.280 0.000 1.135 242 Y CB -0.292 37.869 38.460 -0.498 0.000 0.980 242 Y HN -0.076 nan 8.280 nan 0.000 0.499 243 F N 0.624 120.617 119.950 0.072 0.000 2.333 243 F HA -0.101 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 1.483 59.486 58.000 0.004 0.000 1.395 243 F CB -0.863 38.246 39.000 0.182 0.000 1.056 243 F HN 0.103 nan 8.300 nan 0.000 0.529 244 R N 0.243 120.797 120.500 0.090 0.000 2.062 244 R HA -0.089 4.251 4.340 0.000 0.000 0.226 244 R C 1.462 177.744 176.300 -0.030 0.000 1.125 244 R CA 1.686 57.809 56.100 0.038 0.000 0.966 244 R CB -0.102 30.206 30.300 0.014 0.000 0.861 244 R HN 0.113 nan 8.270 nan 0.000 0.433 245 D N -0.046 120.301 120.400 -0.089 0.000 2.355 245 D HA -0.057 4.583 4.640 0.000 0.000 0.233 245 D C 1.974 178.175 176.300 -0.165 0.000 0.997 245 D CA 0.665 54.602 54.000 -0.105 0.000 0.920 245 D CB -0.341 40.407 40.800 -0.086 0.000 1.063 245 D HN 0.079 nan 8.370 nan 0.000 0.465 246 Q N 0.613 120.223 119.800 -0.317 0.000 2.364 246 Q HA -0.061 4.279 4.340 0.000 0.000 0.209 246 Q C 1.299 177.088 176.000 -0.352 0.000 0.977 246 Q CA 0.960 56.525 55.803 -0.397 0.000 0.885 246 Q CB 0.092 28.415 28.738 -0.693 0.000 0.941 246 Q HN 0.556 nan 8.270 nan 0.000 0.464 247 E N -1.674 118.352 120.200 -0.290 0.000 2.421 247 E HA 0.192 4.542 4.350 0.000 0.000 0.209 247 E C 0.716 177.304 176.600 -0.021 0.000 0.871 247 E CA 0.423 56.770 56.400 -0.087 0.000 1.064 247 E CB 0.842 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 2.441 111.225 108.800 -0.026 0.000 2.143 248 G HA2 -0.316 3.644 3.960 0.000 0.000 0.249 248 G HA3 -0.316 3.644 3.960 0.000 0.000 0.249 248 G C 0.180 175.093 174.900 0.023 0.000 0.981 248 G CA 0.575 45.671 45.100 -0.006 0.000 0.665 248 G HN 0.221 nan 8.290 nan 0.000 0.528 249 Q N -0.382 119.458 119.800 0.068 0.000 2.407 249 Q HA 0.436 4.776 4.340 0.000 0.000 0.214 249 Q C -0.548 175.496 176.000 0.074 0.000 1.043 249 Q CA -0.435 55.407 55.803 0.065 0.000 0.983 249 Q CB 0.381 29.180 28.738 0.101 0.000 1.211 249 Q HN 0.217 nan 8.270 nan 0.000 0.564 250 D N 0.803 121.239 120.400 0.060 0.000 2.365 250 D HA 0.225 4.865 4.640 0.000 0.000 0.237 250 D C -1.133 175.290 176.300 0.205 0.000 1.190 250 D CA -0.004 54.067 54.000 0.118 0.000 0.867 250 D CB 0.813 41.705 40.800 0.154 0.000 1.050 250 D HN 0.099 nan 8.370 nan 0.000 0.491 251 V N 2.885 122.872 119.914 0.122 0.000 2.716 251 V HA 0.436 4.556 4.120 0.000 0.000 0.304 251 V C 0.353 176.388 176.094 -0.098 0.000 1.053 251 V CA -0.898 61.462 62.300 0.101 0.000 0.984 251 V CB 1.682 33.597 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 -1.109 175.526 176.870 -0.392 0.000 1.004 252 L CA -0.578 54.017 54.840 -0.409 0.000 0.823 252 L CB 1.689 43.452 42.059 -0.493 0.000 1.236 252 L HN 0.424 nan 8.230 nan 0.000 0.415 253 L N 4.396 125.314 121.223 -0.508 0.000 2.305 253 L HA 0.586 4.926 4.340 0.000 0.000 0.284 253 L C -1.187 175.345 176.870 -0.563 0.000 1.013 253 L CA -0.013 54.597 54.840 -0.384 0.000 0.819 253 L CB 1.007 42.916 42.059 -0.251 0.000 1.227 253 L HN 0.179 nan 8.230 nan 0.000 0.417 254 F N 5.966 125.818 119.950 -0.162 0.000 2.444 254 F HA 0.618 5.145 4.527 -0.000 0.000 0.342 254 F C 0.008 175.459 175.800 -0.582 0.000 1.121 254 F CA -0.506 57.319 58.000 -0.292 0.000 0.997 254 F CB 1.446 40.360 39.000 -0.144 0.000 1.130 254 F HN 0.223 nan 8.300 nan 0.000 0.454 255 I N 2.672 123.052 120.570 -0.317 0.000 2.466 255 I HA 0.347 4.517 4.170 0.000 0.000 0.289 255 I C -1.428 174.512 176.117 -0.295 0.000 1.026 255 I CA -0.542 60.530 61.300 -0.379 0.000 1.078 255 I CB 2.156 40.002 38.000 -0.256 0.000 1.249 255 I HN 0.440 nan 8.210 nan 0.000 0.429 256 D N 5.904 126.118 120.400 -0.309 0.000 2.478 256 D HA 0.241 4.881 4.640 0.000 0.000 0.240 256 D C -1.475 174.812 176.300 -0.022 0.000 1.364 256 D CA -0.316 53.630 54.000 -0.090 0.000 0.987 256 D CB 1.160 41.966 40.800 0.011 0.000 1.328 256 D HN 0.398 nan 8.370 nan 0.000 0.584 257 N N 4.455 123.165 118.700 0.017 0.000 2.346 257 N HA 0.179 4.919 4.740 0.000 0.000 0.289 257 N C 0.606 176.145 175.510 0.049 0.000 1.027 257 N CA -0.519 52.556 53.050 0.043 0.000 0.864 257 N CB 1.597 40.161 38.487 0.127 0.000 1.370 257 N HN 0.327 nan 8.380 nan 0.000 0.481 258 I N 3.955 124.530 120.570 0.009 0.000 2.530 258 I HA -0.147 4.023 4.170 0.000 0.000 0.257 258 I C 1.731 177.921 176.117 0.121 0.000 1.179 258 I CA 0.768 62.077 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 1.670 121.650 119.950 0.050 0.000 2.126 259 F HA -0.261 4.266 4.527 -0.000 0.000 0.299 259 F C 2.354 178.224 175.800 0.117 0.000 1.096 259 F CA 1.572 59.638 58.000 0.111 0.000 1.255 259 F CB -0.455 38.660 39.000 0.192 0.000 0.997 259 F HN -0.009 nan 8.300 nan 0.000 0.479 260 R N 0.204 120.643 120.500 -0.100 0.000 2.170 260 R HA -0.249 4.091 4.340 0.000 0.000 0.242 260 R C 2.184 178.376 176.300 -0.179 0.000 1.145 260 R CA 1.669 57.642 56.100 -0.211 0.000 0.984 260 R CB -2.021 28.261 30.300 -0.030 0.000 0.869 260 R HN 0.543 nan 8.270 nan 0.000 0.455 261 F N 1.603 121.433 119.950 -0.200 0.000 2.146 261 F HA -0.139 4.388 4.527 0.000 0.000 0.298 261 F C 1.898 177.597 175.800 -0.167 0.000 1.096 261 F CA 1.613 59.523 58.000 -0.150 0.000 1.275 261 F CB -0.396 38.534 39.000 -0.116 0.000 1.008 261 F HN -0.133 nan 8.300 nan 0.000 0.480 262 T N 0.145 114.469 114.554 -0.383 0.000 2.942 262 T HA -0.166 4.184 4.350 0.000 0.000 0.265 262 T C 1.879 176.343 174.700 -0.394 0.000 1.062 262 T CA 1.310 63.148 62.100 -0.436 0.000 1.139 262 T CB -0.265 68.505 68.868 -0.163 0.000 0.883 262 T HN 0.462 nan 8.240 nan 0.000 0.468 263 Q N 0.533 119.972 119.800 -0.601 0.000 2.172 263 Q HA 0.002 4.343 4.340 0.000 0.000 0.200 263 Q C 2.476 178.321 176.000 -0.257 0.000 0.964 263 Q CA 1.057 56.597 55.803 -0.438 0.000 0.855 263 Q CB -0.208 28.140 28.738 -0.650 0.000 0.918 263 Q HN 0.515 nan 8.270 nan 0.000 0.444 264 A N 0.784 123.435 122.820 -0.281 0.000 1.865 264 A HA -0.164 4.156 4.320 0.000 0.000 0.217 264 A C 2.272 179.742 177.584 -0.189 0.000 1.191 264 A CA 1.862 53.782 52.037 -0.194 0.000 0.623 264 A CB -1.472 17.427 19.000 -0.169 0.000 0.826 264 A HN 0.588 nan 8.150 nan 0.000 0.444 265 G N -0.406 108.226 108.800 -0.280 0.000 2.418 265 G HA2 -0.234 3.726 3.960 0.000 0.000 0.217 265 G HA3 -0.234 3.726 3.960 0.000 0.000 0.217 265 G C 2.002 176.827 174.900 -0.125 0.000 1.158 265 G CA 1.936 46.901 45.100 -0.225 0.000 0.771 265 G HN 0.938 nan 8.290 nan 0.000 0.545 266 S N 0.801 116.441 115.700 -0.100 0.000 2.419 266 S HA -0.093 4.377 4.470 0.000 0.000 0.233 266 S C 1.990 176.550 174.600 -0.065 0.000 1.016 266 S CA 1.715 59.885 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 0.775 120.930 120.200 -0.076 0.000 2.268 267 E HA -0.046 4.304 4.350 0.000 0.000 0.195 267 E C 2.009 178.581 176.600 -0.046 0.000 0.995 267 E CA 1.356 57.722 56.400 -0.058 0.000 0.836 267 E CB -0.178 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 -2.908 116.977 119.914 -0.048 0.000 3.621 268 V HA 0.117 4.237 4.120 0.000 0.000 0.263 268 V C 2.143 178.220 176.094 -0.027 0.000 1.272 268 V CA 0.486 62.766 62.300 -0.033 0.000 1.080 268 V CB 0.657 32.461 31.823 -0.031 0.000 0.816 268 V HN 0.046 nan 8.190 nan 0.000 0.451 269 S N 1.814 117.494 115.700 -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 2.850 61.037 58.200 -0.022 0.000 1.108 269 S CB -0.614 62.575 63.200 -0.018 0.000 0.975 269 S HN 1.067 nan 8.310 nan 0.000 0.442 270 A N 1.255 124.065 122.820 -0.016 0.000 1.877 270 A HA 0.036 4.356 4.320 0.000 0.000 0.216 270 A C 2.120 179.699 177.584 -0.008 0.000 1.186 270 A CA 1.562 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 -0.675 120.542 121.223 -0.010 0.000 2.549 271 L HA -0.076 4.264 4.340 0.000 0.000 0.230 271 L C 1.569 178.438 176.870 -0.002 0.000 1.162 271 L CA 0.409 55.246 54.840 -0.006 0.000 0.834 271 L CB -0.464 41.591 42.059 -0.006 0.000 0.947 271 L HN 0.351 nan 8.230 nan 0.000 0.452 272 L N -0.229 120.993 121.223 -0.003 0.000 2.607 272 L HA 0.219 4.559 4.340 0.000 0.000 0.228 272 L C 1.113 177.986 176.870 0.004 0.000 1.123 272 L CA 0.082 54.923 54.840 0.002 0.000 0.890 272 L CB -0.083 41.975 42.059 -0.002 0.000 1.103 272 L HN 0.384 nan 8.230 nan 0.000 0.468 273 G N 1.518 110.319 108.800 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 -0.065 174.838 174.900 0.005 0.000 1.096 273 G CA -0.192 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 -0.830 119.673 120.500 0.004 0.000 2.670 274 R HA 0.597 4.937 4.340 0.000 0.000 0.289 274 R C 0.480 176.784 176.300 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 4.290 124.867 120.570 0.011 0.000 2.556 275 I HA 0.083 4.253 4.170 0.000 0.000 0.284 275 I C -1.632 174.495 176.117 0.017 0.000 1.114 275 I CA -1.570 59.737 61.300 0.012 0.000 1.418 275 I CB 0.370 38.377 38.000 0.013 0.000 1.394 275 I HN 0.258 nan 8.210 nan 0.000 0.552 276 P HA 0.052 nan 4.420 nan 0.000 0.271 276 P C -0.280 177.043 177.300 0.038 0.000 1.218 276 P CA -0.176 62.937 63.100 0.022 0.000 0.780 276 P CB 1.133 32.838 31.700 0.008 0.000 0.901 277 S N 1.379 117.117 115.700 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 -0.240 58.007 58.200 0.077 0.000 1.027 277 S CB 0.023 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 -0.154 122.731 122.820 0.108 0.000 2.313 278 A HA 0.508 4.828 4.320 0.000 0.000 0.261 278 A C 0.940 178.627 177.584 0.173 0.000 1.090 278 A CA 0.133 52.236 52.037 0.111 0.000 0.807 278 A CB -0.399 18.659 19.000 0.096 0.000 1.055 278 A HN 1.599 nan 8.150 nan 0.000 0.492 279 V N -0.185 119.804 119.914 0.125 0.000 3.292 279 V HA -0.322 3.798 4.120 0.000 0.000 0.184 279 V C 1.764 177.814 176.094 -0.073 0.000 0.459 279 V CA 1.850 64.212 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 -2.856 105.907 108.800 -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 0.501 58.621 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 2.975 122.883 119.800 0.181 0.000 2.354 282 Q HA 0.157 4.497 4.340 0.000 0.000 0.244 282 Q C -2.283 173.771 176.000 0.091 0.000 0.969 282 Q CA -1.866 53.988 55.803 0.086 0.000 0.885 282 Q CB 0.928 29.692 28.738 0.044 0.000 1.241 282 Q HN 0.355 nan 8.270 nan 0.000 0.461 283 P HA -0.073 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 -4.284 110.294 114.554 0.039 0.000 3.145 284 T HA 0.174 4.524 4.350 0.000 0.000 0.255 284 T C 1.489 176.213 174.700 0.040 0.000 1.039 284 T CA -0.375 61.746 62.100 0.035 0.000 0.928 284 T CB -0.925 67.957 68.868 0.023 0.000 1.029 284 T HN -0.066 nan 8.240 nan 0.000 0.554 285 L N 1.341 122.589 121.223 0.042 0.000 1.976 285 L HA -0.175 4.165 4.340 0.000 0.000 0.223 285 L C 2.858 179.764 176.870 0.060 0.000 1.081 285 L CA 2.315 57.174 54.840 0.032 0.000 0.784 285 L CB -0.841 41.224 42.059 0.009 0.000 0.896 285 L HN 0.410 nan 8.230 nan 0.000 0.438 286 A N -0.783 122.076 122.820 0.064 0.000 1.877 286 A HA -0.249 4.071 4.320 0.000 0.000 0.216 286 A C 2.321 179.971 177.584 0.109 0.000 1.186 286 A CA 2.585 54.680 52.037 0.096 0.000 0.620 286 A CB -1.315 17.733 19.000 0.080 0.000 0.822 286 A HN 0.690 nan 8.150 nan 0.000 0.443 287 T N -2.261 112.342 114.554 0.082 0.000 2.821 287 T HA -0.140 4.210 4.350 0.000 0.000 0.267 287 T C 1.400 176.157 174.700 0.094 0.000 1.046 287 T CA 1.450 63.597 62.100 0.078 0.000 1.139 287 T CB -0.501 68.400 68.868 0.055 0.000 0.871 287 T HN 0.338 nan 8.240 nan 0.000 0.454 288 D N 0.842 121.307 120.400 0.108 0.000 2.149 288 D HA -0.048 4.592 4.640 0.000 0.000 0.198 288 D C 1.925 178.390 176.300 0.275 0.000 0.990 288 D CA 1.032 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 -0.058 119.674 119.600 0.221 0.000 2.236 289 M HA -0.011 4.469 4.480 0.000 0.000 0.266 289 M C 1.986 178.258 176.300 -0.047 0.000 1.070 289 M CA 1.621 57.015 55.300 0.156 0.000 1.137 289 M CB -0.034 32.658 32.600 0.154 0.000 1.378 289 M HN -0.009 nan 8.290 nan 0.000 0.426 290 G N -0.124 108.702 108.800 0.043 0.000 2.433 290 G HA2 -0.262 3.698 3.960 0.000 0.000 0.216 290 G HA3 -0.262 3.698 3.960 0.000 0.000 0.216 290 G C 1.393 176.278 174.900 -0.024 0.000 1.186 290 G CA 1.538 46.659 45.100 0.035 0.000 0.779 290 G HN 0.585 nan 8.290 nan 0.000 0.543 291 T N -1.634 112.924 114.554 0.007 0.000 3.025 291 T HA 0.007 4.357 4.350 0.000 0.000 0.270 291 T C 2.120 176.782 174.700 -0.063 0.000 1.126 291 T CA 1.504 63.601 62.100 -0.005 0.000 1.105 291 T CB -0.048 68.838 68.868 0.029 0.000 0.884 291 T HN 0.295 nan 8.240 nan 0.000 0.522 292 M N -0.142 119.378 119.600 -0.135 0.000 2.369 292 M HA 0.067 4.547 4.480 0.000 0.000 0.254 292 M C 2.378 178.513 176.300 -0.275 0.000 1.136 292 M CA 0.730 55.876 55.300 -0.257 0.000 1.190 292 M CB -0.008 32.290 32.600 -0.503 0.000 1.289 292 M HN -0.006 nan 8.290 nan 0.000 0.468 293 Q N 0.898 120.484 119.800 -0.357 0.000 2.268 293 Q HA -0.203 4.137 4.340 0.000 0.000 0.210 293 Q C 1.590 177.458 176.000 -0.220 0.000 0.988 293 Q CA 1.415 56.983 55.803 -0.392 0.000 0.883 293 Q CB -0.482 27.741 28.738 -0.859 0.000 0.911 293 Q HN 0.588 nan 8.270 nan 0.000 0.430 294 E N 0.018 120.133 120.200 -0.143 0.000 2.418 294 E HA -0.089 4.261 4.350 0.000 0.000 0.197 294 E C 1.721 178.291 176.600 -0.051 0.000 1.026 294 E CA 0.374 56.747 56.400 -0.044 0.000 0.862 294 E CB 0.067 29.771 29.700 0.008 0.000 0.799 294 E HN 0.349 nan 8.360 nan 0.000 0.518 295 R N 0.005 120.453 120.500 -0.086 0.000 2.156 295 R HA 0.199 4.539 4.340 0.000 0.000 0.207 295 R C 1.109 177.356 176.300 -0.090 0.000 1.040 295 R CA 0.120 56.173 56.100 -0.079 0.000 1.013 295 R CB 0.234 30.477 30.300 -0.095 0.000 0.931 295 R HN 0.044 nan 8.270 nan 0.000 0.465 296 I N 2.188 122.686 120.570 -0.119 0.000 2.472 296 I HA -0.019 4.151 4.170 0.000 0.000 0.305 296 I C -0.015 176.049 176.117 -0.088 0.000 1.196 296 I CA 0.564 61.791 61.300 -0.121 0.000 1.613 296 I CB -0.133 37.772 38.000 -0.158 0.000 1.501 296 I HN 0.010 nan 8.210 nan 0.000 0.754 297 T N 2.835 117.348 114.554 -0.068 0.000 2.885 297 T HA 0.255 4.605 4.350 0.000 0.000 0.322 297 T C -0.339 174.336 174.700 -0.041 0.000 1.387 297 T CA -0.377 61.695 62.100 -0.048 0.000 1.041 297 T CB 1.660 70.511 68.868 -0.027 0.000 1.287 297 T HN 0.270 nan 8.240 nan 0.000 0.491 298 T N 3.278 117.811 114.554 -0.035 0.000 2.897 298 T HA 0.599 4.949 4.350 0.000 0.000 0.294 298 T C 0.549 175.232 174.700 -0.028 0.000 1.004 298 T CA -0.207 61.875 62.100 -0.030 0.000 1.106 298 T CB 0.856 69.708 68.868 -0.027 0.000 0.949 298 T HN 0.872 nan 8.240 nan 0.000 0.520 299 T N -0.113 114.425 114.554 -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 1.313 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 0.064 120.443 120.400 -0.036 0.000 2.243 300 K HA 0.126 4.446 4.320 0.000 0.000 0.201 300 K C 2.191 178.775 176.600 -0.026 0.000 1.051 300 K CA 0.476 56.743 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 1.228 177.817 176.600 -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 -0.559 108.232 108.800 -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 -1.602 173.298 174.900 -0.001 0.000 1.408 302 G CA -0.458 44.642 45.100 -0.000 0.000 0.852 302 G HN 0.014 nan 8.290 nan 0.000 0.487 303 S N -0.909 114.798 115.700 0.011 0.000 2.521 303 S HA 0.732 5.202 4.470 0.000 0.000 0.295 303 S C -0.791 173.806 174.600 -0.005 0.000 1.098 303 S CA -0.686 57.514 58.200 0.001 0.000 0.999 303 S CB 0.756 63.961 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 -0.453 175.601 176.117 -0.104 0.000 1.005 304 I CA -0.587 60.674 61.300 -0.065 0.000 1.113 304 I CB 2.506 40.464 38.000 -0.070 0.000 1.289 304 I HN 0.518 nan 8.210 nan 0.000 0.436 305 T N 3.503 117.957 114.554 -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 -0.311 0.000 1.229 305 T CA -0.652 61.327 62.100 -0.202 0.000 1.104 305 T CB 0.525 69.275 68.868 -0.197 0.000 1.083 305 T HN 0.599 nan 8.240 nan 0.000 0.524 306 S N 1.923 117.465 115.700 -0.264 0.000 2.499 306 S HA 0.594 5.064 4.470 0.000 0.000 0.279 306 S C 0.024 174.445 174.600 -0.300 0.000 1.219 306 S CA -0.836 57.184 58.200 -0.300 0.000 1.062 306 S CB 1.276 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 3.864 123.586 119.914 -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 3.103 122.811 119.800 -0.154 0.000 2.322 308 Q HA 0.741 5.081 4.340 0.000 0.000 0.265 308 Q C -0.139 175.771 176.000 -0.149 0.000 0.985 308 Q CA -0.522 55.186 55.803 -0.158 0.000 0.849 308 Q CB 2.566 31.187 28.738 -0.195 0.000 1.274 308 Q HN 0.843 nan 8.270 nan 0.000 0.449 309 A N 3.572 126.334 122.820 -0.096 0.000 2.363 309 A HA 0.576 4.896 4.320 0.000 0.000 0.270 309 A C -0.424 177.096 177.584 -0.108 0.000 1.121 309 A CA -0.279 51.719 52.037 -0.064 0.000 0.800 309 A CB 0.212 19.223 19.000 0.019 0.000 1.052 309 A HN 0.754 nan 8.150 nan 0.000 0.493 310 I N 2.563 123.021 120.570 -0.187 0.000 2.468 310 I HA 0.172 4.342 4.170 0.000 0.000 0.284 310 I C -0.782 175.289 176.117 -0.075 0.000 1.038 310 I CA -0.479 60.684 61.300 -0.229 0.000 1.083 310 I CB 1.308 38.846 38.000 -0.770 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 -0.041 57.954 58.100 -0.175 0.000 1.391 311 Y CB 0.960 39.262 38.460 -0.264 0.000 1.293 311 Y HN 0.263 nan 8.280 nan 0.000 0.557 312 V N 8.694 128.030 119.914 -0.962 0.000 2.305 312 V HA 0.278 4.398 4.120 0.000 0.000 0.275 312 V C -2.304 173.201 176.094 -0.983 0.000 1.020 312 V CA -2.083 59.805 62.300 -0.687 0.000 0.811 312 V CB 0.920 32.594 31.823 -0.248 0.000 1.031 312 V HN 0.719 nan 8.190 nan 0.000 0.439 313 P HA 0.062 nan 4.420 nan 0.000 0.262 313 P C 0.772 177.956 177.300 -0.194 0.000 1.182 313 P CA 0.996 63.853 63.100 -0.405 0.000 0.761 313 P CB 0.636 32.315 31.700 -0.035 0.000 0.795 314 A N 3.606 126.370 122.820 -0.093 0.000 2.799 314 A HA -0.287 4.033 4.320 0.000 0.000 0.274 314 A C 1.064 178.605 177.584 -0.072 0.000 1.393 314 A CA 1.474 53.486 52.037 -0.041 0.000 0.909 314 A CB -2.526 16.473 19.000 -0.002 0.000 1.012 314 A HN 0.590 nan 8.150 nan 0.000 0.653 315 D N -1.882 118.434 120.400 -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 39.624 40.800 -0.056 0.000 1.118 315 D HN 0.897 nan 8.370 nan 0.000 0.416 316 D N 0.415 120.777 120.400 -0.063 0.000 2.422 316 D HA 0.181 4.821 4.640 0.000 0.000 0.227 316 D C 1.545 177.842 176.300 -0.005 0.000 1.190 316 D CA -0.299 53.686 54.000 -0.025 0.000 0.905 316 D CB 0.181 40.980 40.800 -0.002 0.000 1.034 316 D HN 0.152 nan 8.370 nan 0.000 0.507 317 L N 2.678 123.903 121.223 0.004 0.000 2.447 317 L HA -0.163 4.177 4.340 0.000 0.000 0.225 317 L C 2.282 179.186 176.870 0.057 0.000 1.148 317 L CA 1.403 56.275 54.840 0.053 0.000 0.808 317 L CB -0.298 41.775 42.059 0.024 0.000 0.928 317 L HN 0.472 nan 8.230 nan 0.000 0.448 318 T N -5.144 109.421 114.554 0.018 0.000 3.100 318 T HA -0.051 4.299 4.350 0.000 0.000 0.253 318 T C 0.811 175.544 174.700 0.054 0.000 1.118 318 T CA -0.430 61.679 62.100 0.014 0.000 1.058 318 T CB -0.291 68.571 68.868 -0.009 0.000 0.953 318 T HN 0.210 nan 8.240 nan 0.000 0.515 319 D N 3.167 123.611 120.400 0.074 0.000 2.583 319 D HA -0.020 4.620 4.640 0.000 0.000 0.232 319 D C -1.306 175.036 176.300 0.070 0.000 1.128 319 D CA -1.081 52.987 54.000 0.113 0.000 0.859 319 D CB 1.290 42.165 40.800 0.126 0.000 1.169 319 D HN 0.042 nan 8.370 nan 0.000 0.481 320 P HA -0.244 nan 4.420 nan 0.000 0.219 320 P C 0.787 177.973 177.300 -0.189 0.000 1.153 320 P CA 2.030 65.064 63.100 -0.110 0.000 0.865 320 P CB 0.115 31.703 31.700 -0.187 0.000 0.788 321 A N -0.436 122.219 122.820 -0.275 0.000 1.832 321 A HA -0.044 4.276 4.320 0.000 0.000 0.214 321 A C -0.068 177.599 177.584 0.139 0.000 1.204 321 A CA 1.823 53.820 52.037 -0.066 0.000 0.606 321 A CB -2.062 17.002 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 2.244 65.555 63.100 0.351 0.000 0.868 322 P CB -0.282 31.627 31.700 0.348 0.000 0.788 323 A N -0.358 122.689 122.820 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 0.340 0.000 1.188 323 A CA 2.846 55.097 52.037 0.357 0.000 0.631 323 A CB -2.075 17.006 19.000 0.135 0.000 0.822 323 A HN 0.220 nan 8.150 nan 0.000 0.447 324 T N -0.342 114.339 114.554 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 0.242 0.000 1.088 324 T CA 1.703 63.907 62.100 0.174 0.000 1.127 324 T CB -0.333 68.602 68.868 0.113 0.000 0.883 324 T HN 0.605 nan 8.240 nan 0.000 0.493 325 T N 1.212 115.942 114.554 0.293 0.000 3.043 325 T HA 0.146 4.496 4.350 0.000 0.000 0.263 325 T C 1.438 176.302 174.700 0.272 0.000 1.094 325 T CA 0.193 62.462 62.100 0.281 0.000 1.127 325 T CB -0.339 68.596 68.868 0.111 0.000 0.905 325 T HN 0.311 nan 8.240 nan 0.000 0.490 326 F N 2.396 122.516 119.950 0.283 0.000 2.091 326 F HA -0.138 4.389 4.527 -0.000 0.000 0.299 326 F C 2.705 178.545 175.800 0.067 0.000 1.103 326 F CA 1.152 59.270 58.000 0.197 0.000 1.228 326 F CB -0.707 38.307 39.000 0.024 0.000 0.984 326 F HN 0.160 nan 8.300 nan 0.000 0.477 327 A N -1.230 121.667 122.820 0.129 0.000 2.076 327 A HA -0.201 4.119 4.320 0.000 0.000 0.220 327 A C 1.609 179.089 177.584 -0.174 0.000 1.160 327 A CA 1.516 53.510 52.037 -0.072 0.000 0.653 327 A CB -0.950 17.920 19.000 -0.217 0.000 0.801 327 A HN 0.489 nan 8.150 nan 0.000 0.455 328 H N -1.149 117.973 119.070 0.088 0.000 2.533 328 H HA 0.335 4.891 4.556 -0.000 0.000 0.271 328 H C -0.128 175.212 175.328 0.021 0.000 1.000 328 H CA 0.257 56.327 56.048 0.037 0.000 1.149 328 H CB -0.135 29.630 29.762 0.005 0.000 1.375 328 H HN 0.363 nan 8.280 nan 0.000 0.582 329 L N 0.002 121.295 121.223 0.118 0.000 2.319 329 L HA 0.250 4.590 4.340 0.000 0.000 0.267 329 L C 0.837 177.748 176.870 0.068 0.000 1.011 329 L CA -0.616 54.271 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 -0.132 nan 8.230 nan 0.000 0.432 330 D N 0.640 121.064 120.400 0.039 0.000 2.388 330 D HA 0.240 4.880 4.640 0.000 0.000 0.208 330 D C 0.151 176.486 176.300 0.059 0.000 1.035 330 D CA 0.499 54.525 54.000 0.044 0.000 0.875 330 D CB 1.267 42.084 40.800 0.027 0.000 0.984 330 D HN 0.515 nan 8.370 nan 0.000 0.508 331 A N 0.605 123.455 122.820 0.050 0.000 2.486 331 A HA 0.589 4.909 4.320 0.000 0.000 0.300 331 A C -0.573 177.069 177.584 0.098 0.000 1.048 331 A CA -0.560 51.531 52.037 0.090 0.000 0.696 331 A CB 1.823 20.894 19.000 0.119 0.000 1.278 331 A HN -0.028 nan 8.150 nan 0.000 0.405 332 T N -1.059 113.596 114.554 0.168 0.000 2.921 332 T HA 0.695 5.045 4.350 0.000 0.000 0.297 332 T C -0.720 174.125 174.700 0.243 0.000 1.013 332 T CA -0.427 61.807 62.100 0.223 0.000 0.990 332 T CB 1.540 70.580 68.868 0.287 0.000 1.023 332 T HN 0.541 nan 8.240 nan 0.000 0.447 333 T N 3.299 118.015 114.554 0.270 0.000 2.821 333 T HA 0.472 4.822 4.350 0.000 0.000 0.307 333 T C -0.129 174.724 174.700 0.254 0.000 1.034 333 T CA -0.485 61.771 62.100 0.260 0.000 0.953 333 T CB 0.689 69.740 68.868 0.305 0.000 0.968 333 T HN 0.662 nan 8.240 nan 0.000 0.462 334 V N 5.676 125.708 119.914 0.196 0.000 2.385 334 V HA 0.328 4.448 4.120 0.000 0.000 0.269 334 V C -0.108 176.066 176.094 0.133 0.000 1.043 334 V CA -0.755 61.652 62.300 0.178 0.000 0.906 334 V CB 0.620 32.502 31.823 0.098 0.000 0.995 334 V HN 0.616 nan 8.190 nan 0.000 0.467 335 L N 4.481 125.788 121.223 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 1.728 43.857 42.059 0.117 0.000 1.175 335 L HN 0.724 nan 8.230 nan 0.000 0.448 336 S N 1.757 117.473 115.700 0.025 0.000 2.571 336 S HA 0.417 4.887 4.470 0.000 0.000 0.284 336 S C 0.695 175.284 174.600 -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 3.129 123.622 120.500 -0.012 0.000 2.189 337 R HA 0.004 4.344 4.340 0.000 0.000 0.223 337 R C 1.774 178.054 176.300 -0.035 0.000 1.092 337 R CA 1.624 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 0.852 123.651 122.820 -0.035 0.000 1.968 338 A HA -0.032 4.288 4.320 0.000 0.000 0.217 338 A C 2.011 179.561 177.584 -0.057 0.000 1.169 338 A CA 0.917 52.930 52.037 -0.040 0.000 0.638 338 A CB -0.210 18.769 19.000 -0.034 0.000 0.812 338 A HN 0.337 nan 8.150 nan 0.000 0.446 339 I N -0.542 119.986 120.570 -0.070 0.000 2.235 339 I HA -0.160 4.010 4.170 0.000 0.000 0.241 339 I C 2.992 178.998 176.117 -0.185 0.000 1.085 339 I CA 0.843 62.084 61.300 -0.097 0.000 1.378 339 I CB -0.481 37.470 38.000 -0.082 0.000 1.076 339 I HN 0.311 nan 8.210 nan 0.000 0.415 340 A N 0.586 123.260 122.820 -0.243 0.000 1.927 340 A HA -0.334 3.986 4.320 0.000 0.000 0.220 340 A C 2.281 179.700 177.584 -0.276 0.000 1.185 340 A CA 2.344 54.115 52.037 -0.444 0.000 0.639 340 A CB -0.896 17.976 19.000 -0.213 0.000 0.820 340 A HN 0.550 nan 8.150 nan 0.000 0.451 341 E N -0.303 119.824 120.200 -0.122 0.000 2.209 341 E HA -0.167 4.183 4.350 0.000 0.000 0.196 341 E C 1.553 178.118 176.600 -0.057 0.000 0.993 341 E CA 1.023 57.390 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 -0.820 120.349 121.223 -0.090 0.000 2.554 342 L HA 0.141 4.481 4.340 0.000 0.000 0.226 342 L C 1.429 178.255 176.870 -0.073 0.000 1.137 342 L CA 0.517 55.312 54.840 -0.074 0.000 0.863 342 L CB 0.093 42.108 42.059 -0.073 0.000 0.985 342 L HN 0.401 nan 8.230 nan 0.000 0.451 343 G N 0.687 109.433 108.800 -0.090 0.000 2.131 343 G HA2 -0.219 3.741 3.960 0.000 0.000 0.223 343 G HA3 -0.219 3.741 3.960 0.000 0.000 0.223 343 G C 0.168 175.092 174.900 0.040 0.000 0.990 343 G CA -0.520 44.602 45.100 0.036 0.000 0.671 343 G HN 0.177 nan 8.290 nan 0.000 0.521 344 I N 1.319 121.780 120.570 -0.183 0.000 2.287 344 I HA 0.405 4.575 4.170 0.000 0.000 0.290 344 I C -0.203 175.712 176.117 -0.336 0.000 1.069 344 I CA -0.471 60.775 61.300 -0.090 0.000 1.237 344 I CB -0.049 37.918 38.000 -0.055 0.000 1.418 344 I HN 0.043 nan 8.210 nan 0.000 0.481 345 Y N 7.199 127.463 120.300 -0.060 0.000 2.429 345 Y HA 0.434 4.984 4.550 0.000 0.000 0.342 345 Y C -2.005 173.695 175.900 -0.333 0.000 1.004 345 Y CA -2.762 55.227 58.100 -0.185 0.000 1.075 345 Y CB 1.489 39.819 38.460 -0.216 0.000 1.214 345 Y HN 0.389 nan 8.280 nan 0.000 0.455 346 P HA 0.073 nan 4.420 nan 0.000 0.271 346 P C -0.441 176.845 177.300 -0.024 0.000 1.216 346 P CA -0.123 62.922 63.100 -0.091 0.000 0.776 346 P CB 0.890 32.587 31.700 -0.004 0.000 0.881 347 A N 3.803 126.616 122.820 -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 -0.209 51.775 52.037 -0.089 0.000 1.294 347 A CB -1.223 17.687 19.000 -0.150 0.000 0.976 347 A HN 0.385 nan 8.150 nan 0.000 0.631 348 V N 0.822 120.754 119.914 0.031 0.000 2.715 348 V HA 0.042 4.162 4.120 0.000 0.000 0.299 348 V C 0.417 176.528 176.094 0.027 0.000 1.054 348 V CA -0.289 62.045 62.300 0.057 0.000 1.077 348 V CB 1.228 33.099 31.823 0.080 0.000 0.972 348 V HN 0.592 nan 8.190 nan 0.000 0.484 349 D N 6.573 126.992 120.400 0.033 0.000 2.380 349 D HA 0.241 4.881 4.640 0.000 0.000 0.230 349 D C -1.278 175.028 176.300 0.010 0.000 1.154 349 D CA -2.174 51.834 54.000 0.013 0.000 0.859 349 D CB 1.742 42.549 40.800 0.012 0.000 1.045 349 D HN 0.241 nan 8.370 nan 0.000 0.495 350 P HA -0.107 nan 4.420 nan 0.000 0.221 350 P C 0.994 178.278 177.300 -0.027 0.000 1.145 350 P CA 0.814 63.901 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 -1.382 119.829 121.223 -0.021 0.000 2.769 351 L HA 0.304 4.644 4.340 0.000 0.000 0.240 351 L C 1.086 177.939 176.870 -0.028 0.000 1.163 351 L CA 0.289 55.112 54.840 -0.028 0.000 0.962 351 L CB -0.137 41.905 42.059 -0.029 0.000 1.258 351 L HN -0.169 nan 8.230 nan 0.000 0.513 352 D N -1.009 119.382 120.400 -0.014 0.000 2.562 352 D HA 0.112 4.752 4.640 0.000 0.000 0.246 352 D C -0.061 176.251 176.300 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 41.591 40.800 -0.026 0.000 1.111 352 D HN -0.098 nan 8.370 nan 0.000 0.508 353 S N -0.206 115.514 115.700 0.032 0.000 2.475 353 S HA 0.727 5.197 4.470 0.000 0.000 0.298 353 S C -0.140 174.498 174.600 0.064 0.000 1.119 353 S CA -0.521 57.723 58.200 0.073 0.000 1.085 353 S CB 1.742 64.991 63.200 0.082 0.000 1.028 353 S HN 0.312 nan 8.310 nan 0.000 0.489 354 T N -0.830 113.782 114.554 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 0.440 4.910 4.470 0.000 0.000 0.275 355 S C 0.607 175.247 174.600 0.067 0.000 1.123 355 S CA -0.830 57.424 58.200 0.091 0.000 0.907 355 S CB 1.955 65.211 63.200 0.094 0.000 1.081 355 S HN 0.937 nan 8.310 nan 0.000 0.476 356 R N 3.001 123.540 120.500 0.066 0.000 2.280 356 R HA 0.107 4.447 4.340 0.000 0.000 0.207 356 R C 1.412 177.740 176.300 0.048 0.000 1.043 356 R CA 1.495 57.627 56.100 0.053 0.000 1.006 356 R CB -0.416 29.913 30.300 0.048 0.000 0.885 356 R HN 0.830 nan 8.270 nan 0.000 0.467 357 I N -2.429 118.169 120.570 0.047 0.000 3.875 357 I HA 0.188 4.358 4.170 0.000 0.000 0.329 357 I C 0.239 176.371 176.117 0.024 0.000 1.295 357 I CA -0.242 61.079 61.300 0.034 0.000 1.129 357 I CB 0.276 38.295 38.000 0.032 0.000 1.008 357 I HN -0.057 nan 8.210 nan 0.000 0.413 358 M N 3.260 122.882 119.600 0.037 0.000 3.442 358 M HA 0.226 4.706 4.480 0.000 0.000 0.232 358 M C -0.738 175.697 176.300 0.226 0.000 1.508 358 M CA 0.675 56.007 55.300 0.053 0.000 1.647 358 M CB -1.328 31.270 32.600 -0.003 0.000 1.126 358 M HN 0.247 nan 8.290 nan 0.000 0.557 359 D N 2.444 122.939 120.400 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 -0.027 0.000 1.150 359 D CA -1.715 52.322 54.000 0.062 0.000 0.864 359 D CB 2.636 43.446 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 1.004 63.960 63.100 -0.240 0.000 0.843 360 P CB 0.315 31.755 31.700 -0.433 0.000 0.787 361 N N -0.836 117.808 118.700 -0.093 0.000 2.520 361 N HA -0.017 4.723 4.740 0.000 0.000 0.185 361 N C 1.497 176.999 175.510 -0.013 0.000 1.068 361 N CA 0.620 53.644 53.050 -0.044 0.000 0.911 361 N CB 0.004 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 -0.676 119.892 120.570 -0.003 0.000 3.812 362 I HA -0.060 4.110 4.170 0.000 0.000 0.292 362 I C 1.827 177.964 176.117 0.034 0.000 1.206 362 I CA 0.389 61.699 61.300 0.016 0.000 1.370 362 I CB 0.319 38.328 38.000 0.015 0.000 1.328 362 I HN -0.087 nan 8.210 nan 0.000 0.453 363 V N -1.280 118.654 119.914 0.034 0.000 3.644 363 V HA 0.599 4.719 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 0.299 62.642 62.300 0.071 0.000 1.096 363 V CB -0.481 31.262 31.823 -0.132 0.000 0.828 363 V HN 0.456 nan 8.190 nan 0.000 0.446 364 G N 0.901 109.764 108.800 0.104 0.000 2.663 364 G HA2 -0.089 3.871 3.960 0.000 0.000 0.686 364 G HA3 -0.089 3.871 3.960 0.000 0.000 0.686 364 G C 0.289 175.279 174.900 0.150 0.000 1.246 364 G CA 0.054 45.220 45.100 0.109 0.000 0.795 364 G HN 1.059 nan 8.290 nan 0.000 0.627 365 S N -0.469 115.294 115.700 0.106 0.000 2.428 365 S HA -0.032 4.438 4.470 0.000 0.000 0.230 365 S C 1.699 176.407 174.600 0.180 0.000 1.014 365 S CA 1.640 59.917 58.200 0.129 0.000 0.957 365 S CB 0.061 63.299 63.200 0.063 0.000 0.784 365 S HN 0.842 nan 8.310 nan 0.000 0.499 366 E N 1.081 121.375 120.200 0.156 0.000 2.072 366 E HA -0.209 4.141 4.350 0.000 0.000 0.190 366 E C 1.988 178.707 176.600 0.197 0.000 0.982 366 E CA 0.868 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 2.044 177.436 175.328 0.106 0.000 1.082 367 H CA 1.767 57.877 56.048 0.104 0.000 1.308 367 H CB -0.063 29.761 29.762 0.104 0.000 1.375 367 H HN 0.232 nan 8.280 nan 0.000 0.495 368 Y N 1.395 121.806 120.300 0.184 0.000 2.181 368 Y HA -0.202 4.348 4.550 -0.000 0.000 0.288 368 Y C 1.721 177.662 175.900 0.068 0.000 1.146 368 Y CA 1.898 60.039 58.100 0.068 0.000 1.164 368 Y CB -0.107 38.366 38.460 0.022 0.000 0.982 368 Y HN 0.350 nan 8.280 nan 0.000 0.515 369 D N -1.007 119.553 120.400 0.266 0.000 2.224 369 D HA -0.130 4.510 4.640 0.000 0.000 0.205 369 D C 2.325 178.668 176.300 0.073 0.000 0.965 369 D CA 1.124 55.226 54.000 0.169 0.000 0.852 369 D CB -0.309 40.589 40.800 0.163 0.000 0.947 369 D HN 0.276 nan 8.370 nan 0.000 0.494 370 V N 1.184 121.151 119.914 0.087 0.000 2.283 370 V HA -0.184 3.936 4.120 0.000 0.000 0.243 370 V C 2.466 178.559 176.094 -0.002 0.000 1.039 370 V CA 1.686 64.028 62.300 0.070 0.000 1.016 370 V CB -0.819 31.072 31.823 0.114 0.000 0.650 370 V HN 0.189 nan 8.190 nan 0.000 0.449 371 A N 0.524 123.332 122.820 -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 1.963 53.935 52.037 -0.109 0.000 0.629 371 A CB -0.599 18.327 19.000 -0.125 0.000 0.834 371 A HN 0.421 nan 8.150 nan 0.000 0.447 372 R N -0.470 119.885 120.500 -0.242 0.000 2.159 372 R HA -0.116 4.224 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 1.242 57.223 56.100 -0.198 0.000 0.982 372 R CB -1.531 28.623 30.300 -0.245 0.000 0.868 372 R HN 0.580 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 1.552 176.437 174.900 -0.025 0.000 1.150 373 G CA 0.477 45.569 45.100 -0.014 0.000 0.776 373 G HN 0.174 nan 8.290 nan 0.000 0.542 374 V N 0.369 120.247 119.914 -0.060 0.000 2.427 374 V HA -0.181 3.939 4.120 0.000 0.000 0.248 374 V C 2.871 178.917 176.094 -0.080 0.000 1.051 374 V CA 1.970 64.215 62.300 -0.090 0.000 1.048 374 V CB -0.346 31.340 31.823 -0.229 0.000 0.666 374 V HN 0.416 nan 8.190 nan 0.000 0.456 375 Q N -0.268 119.479 119.800 -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 1.172 121.554 120.400 -0.030 0.000 2.009 376 K HA -0.184 4.136 4.320 0.000 0.000 0.210 376 K C 1.991 178.595 176.600 0.007 0.000 1.049 376 K CA 1.267 57.548 56.287 -0.010 0.000 0.929 376 K CB -0.221 32.276 32.500 -0.004 0.000 0.714 376 K HN 0.159 nan 8.250 nan 0.000 0.440 377 I N 0.967 121.542 120.570 0.009 0.000 2.264 377 I HA -0.278 3.892 4.170 0.000 0.000 0.248 377 I C 1.821 177.973 176.117 0.059 0.000 1.111 377 I CA 1.130 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 -0.207 121.045 121.223 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 0.845 55.743 54.840 0.097 0.000 0.760 378 L CB -0.626 41.461 42.059 0.047 0.000 0.910 378 L HN 0.288 nan 8.230 nan 0.000 0.437 379 Q N 0.543 120.366 119.800 0.038 0.000 2.016 379 Q HA -0.203 4.137 4.340 0.000 0.000 0.200 379 Q C 1.769 177.782 176.000 0.022 0.000 0.978 379 Q CA 1.814 57.624 55.803 0.012 0.000 0.833 379 Q CB -0.198 28.538 28.738 -0.004 0.000 0.895 379 Q HN 0.338 nan 8.270 nan 0.000 0.427 380 D N -0.836 119.589 120.400 0.041 0.000 2.133 380 D HA -0.202 4.438 4.640 0.000 0.000 0.195 380 D C 1.651 178.004 176.300 0.087 0.000 0.997 380 D CA 1.426 55.456 54.000 0.050 0.000 0.840 380 D CB -0.411 40.419 40.800 0.051 0.000 0.947 380 D HN 0.381 nan 8.370 nan 0.000 0.452 381 Y N 1.412 121.700 120.300 -0.020 0.000 2.263 381 Y HA -0.060 4.490 4.550 0.000 0.000 0.292 381 Y C 2.186 178.073 175.900 -0.021 0.000 1.130 381 Y CA 1.210 59.298 58.100 -0.020 0.000 1.179 381 Y CB -0.133 38.315 38.460 -0.021 0.000 0.998 381 Y HN -0.194 nan 8.280 nan 0.000 0.532 382 K N -0.258 120.040 120.400 -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 1.892 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 1.102 116.733 115.700 -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 1.384 59.534 58.200 -0.082 0.000 1.033 383 S CB -0.268 62.906 63.200 -0.043 0.000 0.887 383 S HN 0.243 nan 8.310 nan 0.000 0.447 384 L N 1.205 122.376 121.223 -0.086 0.000 2.156 384 L HA -0.129 4.211 4.340 0.000 0.000 0.208 384 L C 2.638 179.438 176.870 -0.115 0.000 1.095 384 L CA 0.851 55.654 54.840 -0.062 0.000 0.770 384 L CB -0.568 41.499 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 1.741 177.658 176.000 -0.138 0.000 1.005 385 Q CA 2.223 57.859 55.803 -0.278 0.000 0.866 385 Q CB -0.275 28.222 28.738 -0.401 0.000 0.938 385 Q HN 0.485 nan 8.270 nan 0.000 0.414 386 D N -0.203 120.126 120.400 -0.119 0.000 2.219 386 D HA -0.088 4.552 4.640 0.000 0.000 0.205 386 D C 1.757 178.026 176.300 -0.052 0.000 0.970 386 D CA 0.948 54.903 54.000 -0.076 0.000 0.851 386 D CB -0.015 40.744 40.800 -0.069 0.000 0.943 386 D HN 0.322 nan 8.370 nan 0.000 0.488 387 I N 0.946 121.487 120.570 -0.049 0.000 2.429 387 I HA -0.075 4.095 4.170 0.000 0.000 0.247 387 I C 2.445 178.551 176.117 -0.019 0.000 1.099 387 I CA 0.355 61.637 61.300 -0.030 0.000 1.422 387 I CB -0.152 37.833 38.000 -0.025 0.000 1.112 387 I HN -0.063 nan 8.210 nan 0.000 0.430 388 I N 0.235 120.797 120.570 -0.015 0.000 2.916 388 I HA -0.098 4.072 4.170 0.000 0.000 0.267 388 I C 2.434 178.550 176.117 -0.002 0.000 1.263 388 I CA 1.072 62.373 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 -0.144 4.176 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 2.300 54.329 52.037 -0.015 0.000 0.623 389 A CB -0.687 18.297 19.000 -0.026 0.000 0.826 389 A HN 0.551 nan 8.150 nan 0.000 0.444 390 I N -1.024 119.540 120.570 -0.012 0.000 2.522 390 I HA -0.008 4.162 4.170 0.000 0.000 0.240 390 I C 1.865 177.978 176.117 -0.005 0.000 1.078 390 I CA 0.570 61.865 61.300 -0.009 0.000 1.422 390 I CB -0.250 37.743 38.000 -0.011 0.000 1.188 390 I HN 0.151 nan 8.210 nan 0.000 0.442 391 L N 0.944 122.164 121.223 -0.005 0.000 2.622 391 L HA 0.151 4.491 4.340 0.000 0.000 0.233 391 L C 1.134 178.004 176.870 0.001 0.000 1.156 391 L CA 0.214 55.053 54.840 -0.002 0.000 0.866 391 L CB -1.619 40.438 42.059 -0.003 0.000 0.980 391 L HN 0.516 nan 8.230 nan 0.000 0.448 392 G N 0.110 108.912 108.800 0.003 0.000 2.804 392 G HA2 -0.367 3.593 3.960 0.000 0.000 0.230 392 G HA3 -0.367 3.593 3.960 0.000 0.000 0.230 392 G C 0.128 175.034 174.900 0.011 0.000 1.386 392 G CA 0.249 45.353 45.100 0.007 0.000 0.875 392 G HN 0.146 nan 8.290 nan 0.000 0.557 393 M N -0.427 119.182 119.600 0.014 0.000 2.414 393 M HA 0.160 4.640 4.480 0.000 0.000 0.251 393 M C 1.815 178.123 176.300 0.014 0.000 1.116 393 M CA 0.918 56.229 55.300 0.017 0.000 1.056 393 M CB 0.055 32.668 32.600 0.022 0.000 1.388 393 M HN 0.579 nan 8.290 nan 0.000 0.487 394 D N 0.959 121.366 120.400 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 0.799 177.403 176.600 0.008 0.000 1.023 395 E CA -0.029 56.375 56.400 0.006 0.000 0.857 395 E CB -0.215 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 1.916 123.145 121.223 0.010 0.000 2.456 396 L HA -0.005 4.335 4.340 0.000 0.000 0.272 396 L C 0.382 177.259 176.870 0.011 0.000 1.189 396 L CA -0.180 54.668 54.840 0.013 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 2.176 117.883 115.700 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 2.190 122.395 120.200 0.008 0.000 2.233 398 E HA -0.219 4.131 4.350 0.000 0.000 0.199 398 E C 1.546 178.150 176.600 0.007 0.000 1.004 398 E CA 1.187 57.591 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 0.526 120.730 120.200 0.007 0.000 2.110 399 E HA -0.166 4.184 4.350 0.000 0.000 0.193 399 E C 1.279 177.884 176.600 0.009 0.000 0.988 399 E CA 1.161 57.565 56.400 0.007 0.000 0.804 399 E CB -0.106 29.598 29.700 0.008 0.000 0.745 399 E HN 0.333 nan 8.360 nan 0.000 0.458 400 D N -0.190 120.218 120.400 0.013 0.000 2.333 400 D HA -0.049 4.591 4.640 0.000 0.000 0.208 400 D C 1.343 177.655 176.300 0.021 0.000 0.984 400 D CA 0.557 54.568 54.000 0.019 0.000 0.873 400 D CB 0.245 41.058 40.800 0.022 0.000 0.935 400 D HN 0.130 nan 8.370 nan 0.000 0.521 401 K N -0.070 120.338 120.400 0.013 0.000 2.404 401 K HA 0.114 4.434 4.320 0.000 0.000 0.194 401 K C 1.213 177.809 176.600 -0.006 0.000 1.023 401 K CA 0.078 56.371 56.287 0.010 0.000 1.094 401 K CB 0.564 33.070 32.500 0.011 0.000 0.841 401 K HN 0.107 nan 8.250 nan 0.000 0.523 402 L N 2.057 123.276 121.223 -0.008 0.000 2.298 402 L HA -0.009 4.331 4.340 0.000 0.000 0.209 402 L C 2.362 179.211 176.870 -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 -4.024 110.518 114.554 -0.021 0.000 2.985 403 T HA -0.060 4.290 4.350 0.000 0.000 0.266 403 T C 1.749 176.407 174.700 -0.070 0.000 1.076 403 T CA 1.238 63.322 62.100 -0.027 0.000 1.135 403 T CB -0.572 68.301 68.868 0.008 0.000 0.890 403 T HN 0.070 nan 8.240 nan 0.000 0.480 404 V N 1.466 121.348 119.914 -0.053 0.000 2.358 404 V HA -0.120 4.000 4.120 0.000 0.000 0.246 404 V C 3.054 178.994 176.094 -0.255 0.000 1.047 404 V CA 1.814 64.035 62.300 -0.132 0.000 1.035 404 V CB -1.082 30.741 31.823 -0.001 0.000 0.658 404 V HN 0.493 nan 8.190 nan 0.000 0.452 405 S N -0.162 115.450 115.700 -0.147 0.000 2.380 405 S HA -0.227 4.243 4.470 0.000 0.000 0.217 405 S C 2.118 176.598 174.600 -0.201 0.000 1.036 405 S CA 1.828 59.940 58.200 -0.146 0.000 1.050 405 S CB -0.351 62.797 63.200 -0.087 0.000 1.016 405 S HN 0.502 nan 8.310 nan 0.000 0.419 406 R N 1.016 121.418 120.500 -0.164 0.000 2.119 406 R HA -0.164 4.176 4.340 0.000 0.000 0.246 406 R C 2.483 178.667 176.300 -0.193 0.000 1.146 406 R CA 1.386 57.383 56.100 -0.170 0.000 0.962 406 R CB -0.668 29.575 30.300 -0.096 0.000 0.863 406 R HN 0.442 nan 8.270 nan 0.000 0.442 407 A N 1.629 124.313 122.820 -0.227 0.000 1.858 407 A HA -0.188 4.132 4.320 0.000 0.000 0.216 407 A C 2.146 179.535 177.584 -0.326 0.000 1.190 407 A CA 1.369 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 -0.066 120.163 120.500 -0.452 0.000 2.127 408 R HA -0.137 4.203 4.340 0.000 0.000 0.238 408 R C 2.073 178.254 176.300 -0.199 0.000 1.134 408 R CA 1.616 57.524 56.100 -0.321 0.000 0.975 408 R CB -0.312 29.817 30.300 -0.286 0.000 0.865 408 R HN 0.555 nan 8.270 nan 0.000 0.447 409 K N 0.487 120.722 120.400 -0.275 0.000 2.076 409 K HA 0.022 4.342 4.320 0.000 0.000 0.204 409 K C 2.134 178.585 176.600 -0.247 0.000 1.051 409 K CA 0.897 56.922 56.287 -0.437 0.000 0.949 409 K CB -0.017 31.926 32.500 -0.929 0.000 0.726 409 K HN 0.116 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 1.373 62.802 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 0.603 120.454 119.800 0.086 0.000 2.152 411 Q HA -0.232 4.108 4.340 0.000 0.000 0.206 411 Q C 2.341 178.419 176.000 0.129 0.000 0.985 411 Q CA 1.730 57.582 55.803 0.081 0.000 0.863 411 Q CB 0.097 28.852 28.738 0.027 0.000 0.904 411 Q HN 0.451 nan 8.270 nan 0.000 0.422 412 R N -1.213 119.382 120.500 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 0.781 57.031 56.100 0.249 0.000 0.986 412 R CB -0.322 30.137 30.300 0.265 0.000 0.884 412 R HN 0.193 nan 8.270 nan 0.000 0.439 413 F N 1.716 121.766 119.950 0.166 0.000 2.373 413 F HA -0.100 4.427 4.527 0.000 0.000 0.300 413 F C 1.576 177.518 175.800 0.237 0.000 1.080 413 F CA 1.091 59.166 58.000 0.125 0.000 1.417 413 F CB -0.016 38.929 39.000 -0.092 0.000 1.070 413 F HN -0.045 nan 8.300 nan 0.000 0.546 414 L N -0.733 120.657 121.223 0.278 0.000 2.418 414 L HA 0.008 4.348 4.340 0.000 0.000 0.218 414 L C 1.364 178.250 176.870 0.026 0.000 1.125 414 L CA 0.164 55.117 54.840 0.187 0.000 0.835 414 L CB -0.566 41.587 42.059 0.157 0.000 0.953 414 L HN 0.032 nan 8.230 nan 0.000 0.454 415 S N -0.454 115.255 115.700 0.015 0.000 2.624 415 S HA 0.374 4.844 4.470 0.000 0.000 0.263 415 S C -0.310 174.203 174.600 -0.144 0.000 1.287 415 S CA -0.555 57.611 58.200 -0.057 0.000 0.990 415 S CB 1.791 64.978 63.200 -0.022 0.000 0.950 415 S HN 0.243 nan 8.310 nan 0.000 0.561 416 Q N 0.090 119.777 119.800 -0.190 0.000 2.403 416 Q HA 0.334 4.674 4.340 0.000 0.000 0.267 416 Q C -3.205 172.681 176.000 -0.190 0.000 0.991 416 Q CA -1.861 53.845 55.803 -0.161 0.000 0.906 416 Q CB 2.228 30.940 28.738 -0.043 0.000 1.422 416 Q HN 0.463 nan 8.270 nan 0.000 0.400 417 P HA 0.189 nan 4.420 nan 0.000 0.280 417 P C -0.902 176.491 177.300 0.156 0.000 1.300 417 P CA -0.043 63.022 63.100 -0.057 0.000 0.785 417 P CB 0.034 31.708 31.700 -0.043 0.000 0.874 418 F N 1.922 121.877 119.950 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 -0.749 57.264 58.000 0.021 0.000 1.183 418 F CB 0.593 39.622 39.000 0.047 0.000 1.207 418 F HN 0.378 nan 8.300 nan 0.000 0.555 419 Q N 0.717 120.616 119.800 0.165 0.000 2.472 419 Q HA 0.045 4.385 4.340 0.000 0.000 0.208 419 Q C 0.524 176.553 176.000 0.047 0.000 0.958 419 Q CA 0.645 56.489 55.803 0.068 0.000 0.932 419 Q CB 0.212 28.957 28.738 0.012 0.000 1.007 419 Q HN 0.506 nan 8.270 nan 0.000 0.508 420 V N -0.177 119.790 119.914 0.089 0.000 3.578 420 V HA 0.316 4.436 4.120 0.000 0.000 0.290 420 V C 0.530 176.682 176.094 0.097 0.000 1.376 420 V CA 0.744 63.084 62.300 0.067 0.000 1.083 420 V CB 0.996 32.859 31.823 0.066 0.000 0.911 420 V HN 0.326 nan 8.190 nan 0.000 0.433 421 A N -0.789 122.112 122.820 0.135 0.000 2.594 421 A HA 0.368 4.688 4.320 0.000 0.000 0.292 421 A C 1.222 178.797 177.584 -0.016 0.000 1.026 421 A CA -0.189 51.939 52.037 0.151 0.000 0.983 421 A CB 0.074 19.336 19.000 0.436 0.000 1.233 421 A HN 0.400 nan 8.150 nan 0.000 0.519 422 E N -0.126 120.028 120.200 -0.076 0.000 2.150 422 E HA -0.129 4.221 4.350 0.000 0.000 0.193 422 E C 1.717 178.225 176.600 -0.153 0.000 0.985 422 E CA 1.483 57.850 56.400 -0.056 0.000 0.814 422 E CB -0.147 29.526 29.700 -0.044 0.000 0.752 422 E HN 0.552 nan 8.360 nan 0.000 0.466 423 V N -0.277 119.421 119.914 -0.360 0.000 2.867 423 V HA -0.201 3.919 4.120 0.000 0.000 0.260 423 V C 1.490 177.347 176.094 -0.395 0.000 1.099 423 V CA 1.365 63.404 62.300 -0.434 0.000 1.122 423 V CB -0.717 30.714 31.823 -0.655 0.000 0.708 423 V HN 0.113 nan 8.190 nan 0.000 0.490 424 F N 1.517 121.458 119.950 -0.015 0.000 2.419 424 F HA 0.102 4.629 4.527 0.000 0.000 0.283 424 F C 2.680 178.473 175.800 -0.011 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 -2.997 111.665 114.554 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 0.275 0.000 1.105 425 T CA 0.631 62.853 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 1.244 110.116 108.800 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 -0.276 174.547 174.900 -0.127 0.000 1.025 426 G CA 0.315 45.413 45.100 -0.004 0.000 0.769 426 G HN 0.828 nan 8.290 nan 0.000 0.507 427 H N -1.970 117.090 119.070 -0.017 0.000 2.806 427 H HA 0.606 5.162 4.556 0.000 0.000 0.367 427 H C -0.054 175.264 175.328 -0.016 0.000 1.136 427 H CA -0.931 55.104 56.048 -0.021 0.000 1.178 427 H CB 1.501 31.241 29.762 -0.038 0.000 1.718 427 H HN 0.205 nan 8.280 nan 0.000 0.540 428 L N 1.823 123.106 121.223 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 0.072 0.000 1.182 428 L CA 0.379 55.253 54.840 0.056 0.000 0.858 428 L CB 0.424 42.500 42.059 0.028 0.000 1.120 428 L HN 0.880 nan 8.230 nan 0.000 0.474 429 G N 4.176 113.013 108.800 0.062 0.000 2.398 429 G HA2 0.234 4.194 3.960 0.000 0.000 0.246 429 G HA3 0.234 4.194 3.960 0.000 0.000 0.246 429 G C -0.485 174.451 174.900 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 1.077 121.517 120.400 0.067 0.000 2.270 430 K HA 0.412 4.732 4.320 0.000 0.000 0.255 430 K C -0.966 175.660 176.600 0.043 0.000 0.936 430 K CA -0.996 55.316 56.287 0.040 0.000 0.809 430 K CB 2.387 34.900 32.500 0.021 0.000 1.131 430 K HN 0.370 nan 8.250 nan 0.000 0.427 431 L N 2.447 123.682 121.223 0.020 0.000 2.319 431 L HA 0.463 4.803 4.340 0.000 0.000 0.281 431 L C -1.157 175.718 176.870 0.008 0.000 1.005 431 L CA -0.699 54.147 54.840 0.010 0.000 0.828 431 L CB 1.516 43.572 42.059 -0.005 0.000 1.227 431 L HN 0.245 nan 8.230 nan 0.000 0.415 432 V N 6.765 126.684 119.914 0.007 0.000 2.483 432 V HA 0.603 4.723 4.120 0.000 0.000 0.295 432 V C -1.984 174.116 176.094 0.010 0.000 1.035 432 V CA -1.333 60.971 62.300 0.007 0.000 0.896 432 V CB 1.524 33.344 31.823 -0.006 0.000 0.986 432 V HN 0.777 nan 8.190 nan 0.000 0.447 433 P HA 0.130 nan 4.420 nan 0.000 0.275 433 P C 0.714 178.024 177.300 0.015 0.000 1.228 433 P CA -0.399 62.710 63.100 0.015 0.000 0.786 433 P CB 1.171 32.881 31.700 0.017 0.000 0.927 434 L N 3.536 124.764 121.223 0.008 0.000 2.089 434 L HA -0.220 4.120 4.340 0.000 0.000 0.213 434 L C 2.002 178.858 176.870 -0.022 0.000 1.079 434 L CA 2.094 56.927 54.840 -0.012 0.000 0.758 434 L CB -1.054 40.998 42.059 -0.010 0.000 0.891 434 L HN 0.351 nan 8.230 nan 0.000 0.433 435 K N -1.146 119.254 120.400 -0.001 0.000 2.228 435 K HA -0.070 4.250 4.320 0.000 0.000 0.202 435 K C 1.851 178.470 176.600 0.033 0.000 1.051 435 K CA 0.780 57.072 56.287 0.008 0.000 0.960 435 K CB -0.013 32.496 32.500 0.016 0.000 0.743 435 K HN 0.272 nan 8.250 nan 0.000 0.458 436 E N 0.396 120.620 120.200 0.041 0.000 2.150 436 E HA -0.089 4.261 4.350 0.000 0.000 0.193 436 E C 1.877 178.540 176.600 0.104 0.000 0.985 436 E CA 1.080 57.518 56.400 0.063 0.000 0.814 436 E CB -0.217 29.515 29.700 0.054 0.000 0.752 436 E HN 0.204 nan 8.360 nan 0.000 0.466 437 T N 1.631 116.244 114.554 0.099 0.000 2.639 437 T HA -0.044 4.306 4.350 0.000 0.000 0.261 437 T C 2.139 176.985 174.700 0.244 0.000 1.053 437 T CA 1.014 63.221 62.100 0.178 0.000 1.158 437 T CB -0.316 68.634 68.868 0.137 0.000 0.863 437 T HN 0.088 nan 8.240 nan 0.000 0.413 438 I N 1.440 122.079 120.570 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 0.258 nan 8.210 nan 0.000 0.410 439 K N 1.436 121.903 120.400 0.111 0.000 2.001 439 K HA -0.150 4.170 4.320 0.000 0.000 0.208 439 K C 2.212 178.871 176.600 0.099 0.000 1.048 439 K CA 1.751 58.096 56.287 0.096 0.000 0.932 439 K CB -0.556 31.986 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 1.288 176.092 174.900 -0.161 0.000 1.164 440 G CA 0.953 46.005 45.100 -0.080 0.000 0.768 440 G HN 0.292 nan 8.290 nan 0.000 0.560 441 F N 0.506 120.562 119.950 0.177 0.000 2.146 441 F HA 0.015 4.542 4.527 0.000 0.000 0.298 441 F C 2.915 178.760 175.800 0.075 0.000 1.096 441 F CA 1.459 59.541 58.000 0.136 0.000 1.275 441 F CB -0.701 38.397 39.000 0.163 0.000 1.008 441 F HN 0.172 nan 8.300 nan 0.000 0.480 442 Q N 0.197 120.139 119.800 0.237 0.000 2.096 442 Q HA -0.300 4.040 4.340 0.000 0.000 0.208 442 Q C 2.121 178.184 176.000 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 28.665 28.738 0.114 0.000 0.915 442 Q HN 0.507 nan 8.270 nan 0.000 0.416 443 Q N -0.333 119.528 119.800 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 1.425 57.280 55.803 0.088 0.000 0.838 443 Q CB -0.047 28.803 28.738 0.185 0.000 0.900 443 Q HN 0.487 nan 8.270 nan 0.000 0.436 444 I N 0.644 121.291 120.570 0.127 0.000 2.179 444 I HA -0.287 3.883 4.170 0.000 0.000 0.242 444 I C 2.226 178.373 176.117 0.049 0.000 1.088 444 I CA 1.126 62.476 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 0.772 122.043 121.223 0.080 0.000 2.131 445 L HA -0.178 4.162 4.340 0.000 0.000 0.210 445 L C 2.617 179.507 176.870 0.033 0.000 1.092 445 L CA 1.152 56.028 54.840 0.060 0.000 0.759 445 L CB -0.447 41.662 42.059 0.084 0.000 0.903 445 L HN 0.270 nan 8.230 nan 0.000 0.435 446 A N -0.913 121.925 122.820 0.029 0.000 2.206 446 A HA 0.198 4.518 4.320 0.000 0.000 0.211 446 A C 1.761 179.335 177.584 -0.015 0.000 1.158 446 A CA 0.854 52.894 52.037 0.006 0.000 0.761 446 A CB -0.373 18.626 19.000 -0.002 0.000 0.801 446 A HN 0.543 nan 8.150 nan 0.000 0.473 447 G N -0.620 108.171 108.800 -0.016 0.000 2.176 447 G HA2 -0.277 3.683 3.960 0.000 0.000 0.253 447 G HA3 -0.277 3.683 3.960 0.000 0.000 0.253 447 G C 0.407 175.271 174.900 -0.059 0.000 0.979 447 G CA 0.481 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 -0.837 119.276 120.200 -0.145 0.000 2.533 448 E HA 0.110 4.460 4.350 0.000 0.000 0.201 448 E C 0.434 176.635 176.600 -0.665 0.000 1.097 448 E CA 0.604 56.783 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 -1.578 118.705 120.300 -0.027 0.000 2.954 449 Y HA 0.093 4.643 4.550 -0.000 0.000 0.267 449 Y C 0.678 176.461 175.900 -0.195 0.000 1.093 449 Y CA -0.748 57.235 58.100 -0.195 0.000 1.257 449 Y CB 0.501 38.972 38.460 0.018 0.000 1.317 449 Y HN -0.069 nan 8.280 nan 0.000 0.587 450 D N 0.474 120.887 120.400 0.021 0.000 2.389 450 D HA -0.155 4.485 4.640 0.000 0.000 0.221 450 D C 1.855 178.196 176.300 0.069 0.000 0.974 450 D CA 1.400 55.421 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 -0.587 118.549 119.070 0.110 0.000 2.451 451 H HA 0.084 4.640 4.556 0.000 0.000 0.294 451 H C 1.187 176.588 175.328 0.122 0.000 1.028 451 H CA -0.106 55.995 56.048 0.089 0.000 1.349 451 H CB -0.423 29.374 29.762 0.059 0.000 1.444 451 H HN 0.020 nan 8.280 nan 0.000 0.538 452 L N 2.703 123.798 121.223 -0.214 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 52.830 54.840 -0.016 0.000 0.827 452 L CB -0.296 41.675 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 -0.171 177.288 177.300 0.265 0.000 1.238 453 P CA -0.512 62.672 63.100 0.140 0.000 0.794 453 P CB 0.948 32.696 31.700 0.079 0.000 0.955 454 E N 0.725 121.049 120.200 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 1.223 57.766 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 0.041 119.939 119.800 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 1.576 57.470 55.803 0.151 0.000 0.893 455 Q CB -0.481 28.312 28.738 0.092 0.000 0.913 455 Q HN 0.369 nan 8.270 nan 0.000 0.428 456 A N -0.876 121.994 122.820 0.084 0.000 2.015 456 A HA -0.113 4.207 4.320 0.000 0.000 0.219 456 A C 1.549 179.024 177.584 -0.182 0.000 1.163 456 A CA 0.921 52.891 52.037 -0.112 0.000 0.646 456 A CB -0.566 18.251 19.000 -0.306 0.000 0.806 456 A HN 0.322 nan 8.150 nan 0.000 0.448 457 F N -2.522 117.453 119.950 0.043 0.000 2.743 457 F HA 0.180 4.707 4.527 0.000 0.000 0.297 457 F C 0.787 176.697 175.800 0.183 0.000 1.131 457 F CA -0.275 57.782 58.000 0.094 0.000 1.426 457 F CB -0.290 38.746 39.000 0.061 0.000 1.116 457 F HN 0.274 nan 8.300 nan 0.000 0.583 458 Y N 1.690 122.090 120.300 0.168 0.000 2.377 458 Y HA 0.291 4.841 4.550 -0.000 0.000 0.330 458 Y C 0.606 176.506 175.900 0.001 0.000 1.108 458 Y CA -1.686 56.461 58.100 0.080 0.000 1.308 458 Y CB 0.254 38.748 38.460 0.058 0.000 1.216 458 Y HN 0.014 nan 8.280 nan 0.000 0.518 459 M N 6.172 125.398 119.600 -0.622 0.000 2.852 459 M HA -0.156 4.324 4.480 0.000 0.000 0.176 459 M C -1.147 174.960 176.300 -0.321 0.000 1.160 459 M CA 1.022 55.925 55.300 -0.661 0.000 0.702 459 M CB -2.517 29.414 32.600 -1.116 0.000 1.193 459 M HN 0.514 nan 8.290 nan 0.000 0.775 460 V N -1.895 117.917 119.914 -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 0.675 109.454 108.800 -0.036 0.000 2.964 461 G HA2 0.492 4.452 3.960 0.000 0.000 0.191 461 G HA3 0.492 4.452 3.960 0.000 0.000 0.191 461 G C -2.411 172.479 174.900 -0.018 0.000 1.978 461 G CA -0.340 44.732 45.100 -0.046 0.000 0.861 461 G HN 0.714 nan 8.290 nan 0.000 0.584 462 P HA 0.203 nan 4.420 nan 0.000 0.274 462 P C 0.786 178.195 177.300 0.181 0.000 1.231 462 P CA -0.584 62.591 63.100 0.124 0.000 0.790 462 P CB 1.173 32.910 31.700 0.060 0.000 0.951 463 I N 1.386 122.057 120.570 0.170 0.000 2.399 463 I HA -0.302 3.868 4.170 0.000 0.000 0.254 463 I C 1.625 177.603 176.117 -0.233 0.000 1.146 463 I CA 1.928 63.110 61.300 -0.197 0.000 1.412 463 I CB -0.299 37.454 38.000 -0.411 0.000 1.076 463 I HN 0.332 nan 8.210 nan 0.000 0.432 464 E N 0.534 120.674 120.200 -0.099 0.000 2.153 464 E HA -0.209 4.141 4.350 0.000 0.000 0.194 464 E C 2.013 178.552 176.600 -0.103 0.000 0.988 464 E CA 1.386 57.733 56.400 -0.089 0.000 0.811 464 E CB -0.188 29.493 29.700 -0.031 0.000 0.746 464 E HN 0.615 nan 8.360 nan 0.000 0.466 465 E N 0.225 120.381 120.200 -0.074 0.000 2.204 465 E HA -0.113 4.237 4.350 0.000 0.000 0.194 465 E C 1.973 178.493 176.600 -0.134 0.000 0.989 465 E CA 0.809 57.168 56.400 -0.068 0.000 0.824 465 E CB -0.084 29.602 29.700 -0.024 0.000 0.756 465 E HN 0.267 nan 8.360 nan 0.000 0.477 466 A N 1.240 123.918 122.820 -0.236 0.000 1.929 466 A HA -0.073 4.247 4.320 0.000 0.000 0.216 466 A C 2.496 179.787 177.584 -0.489 0.000 1.176 466 A CA 0.762 52.525 52.037 -0.457 0.000 0.628 466 A CB -0.408 18.108 19.000 -0.808 0.000 0.816 466 A HN 0.097 nan 8.150 nan 0.000 0.444 467 V N -0.176 119.503 119.914 -0.392 0.000 2.323 467 V HA -0.191 3.929 4.120 0.000 0.000 0.244 467 V C 3.061 179.075 176.094 -0.134 0.000 1.041 467 V CA 1.811 63.966 62.300 -0.243 0.000 1.025 467 V CB -1.164 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 0.027 122.782 122.820 -0.108 0.000 1.865 468 A HA -0.298 4.022 4.320 0.000 0.000 0.217 468 A C 2.319 179.865 177.584 -0.064 0.000 1.191 468 A CA 2.342 54.341 52.037 -0.063 0.000 0.623 468 A CB -0.591 18.381 19.000 -0.046 0.000 0.826 468 A HN 0.517 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 1.733 124.488 122.820 -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 1.996 53.988 52.037 -0.075 0.000 0.617 470 A CB -0.614 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 -0.273 120.115 120.400 -0.019 0.000 2.087 471 D HA -0.184 4.456 4.640 0.000 0.000 0.192 471 D C 1.826 178.125 176.300 -0.002 0.000 0.993 471 D CA 1.668 55.666 54.000 -0.003 0.000 0.828 471 D CB -0.519 40.279 40.800 -0.003 0.000 0.968 471 D HN 0.509 nan 8.370 nan 0.000 0.448 472 K N 0.265 120.660 120.400 -0.007 0.000 2.127 472 K HA -0.134 4.186 4.320 0.000 0.000 0.208 472 K C 2.171 178.775 176.600 0.006 0.000 1.047 472 K CA 0.898 57.184 56.287 -0.001 0.000 0.927 472 K CB -0.129 32.370 32.500 -0.002 0.000 0.716 472 K HN 0.129 nan 8.250 nan 0.000 0.450 473 L N -0.437 120.789 121.223 0.006 0.000 2.313 473 L HA 0.006 4.346 4.340 0.000 0.000 0.214 473 L C 2.257 179.137 176.870 0.016 0.000 1.119 473 L CA 0.500 55.349 54.840 0.015 0.000 0.809 473 L CB -0.395 41.674 42.059 0.018 0.000 0.933 473 L HN 0.193 nan 8.230 nan 0.000 0.449 474 A N -0.460 122.368 122.820 0.013 0.000 2.204 474 A HA -0.137 4.183 4.320 0.000 0.000 0.220 474 A C 0.504 178.097 177.584 0.016 0.000 1.165 474 A CA 1.520 53.567 52.037 0.017 0.000 0.671 474 A CB -0.216 18.794 19.000 0.017 0.000 0.792 474 A HN 0.504 nan 8.150 nan 0.000 0.473 475 E N 0.000 120.208 120.200 0.014 0.000 2.725 475 E HA 0.000 4.350 4.350 0.000 0.000 0.291 475 E CA 0.000 56.408 56.400 0.013 0.000 0.976 475 E CB 0.000 29.707 29.700 0.011 0.000 0.812 475 E HN 0.000 nan 8.360 nan 0.000 0.440