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 3c5w_1_P DATA FIRST_RESID 39 DATA SEQUENCE RDFSPVPWSQ YFESMEDVEV ENETGKDTFR VYKSGSEGPV LLLLHGGGHS DATA SEQUENCE ALSWAVFTAA IISRVQCRIV ALDLRSHGET KVKNPEDLSA ETMAKDVGNV DATA SEQUENCE VEAMYGDLPP PIMLIGHAMG GAIAVHTASS NLVPSLLGLC MIDVVEGTAM DATA SEQUENCE DALNSMQNFL RGRPKTFKSL ENAIEWSVKS GQIRNLESAR VSMVGQVKQC DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXKPYTWR DATA SEQUENCE IELAKTEKYW DGWFRGLSNL FLSCPIPKLL LLAGVDRLDK DLTIGQMQGK DATA SEQUENCE FQMQVLPQCG HAVHEDAPDK VAEAVATFLI RHRFAEPI 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 39 R HA 0.000 nan 4.340 nan 0.000 0.208 39 R C 0.000 176.107 176.300 -0.321 0.000 0.893 39 R CA 0.000 55.971 56.100 -0.215 0.000 0.921 39 R CB 0.000 30.223 30.300 -0.129 0.000 0.687 40 D N 0.523 120.762 120.400 -0.268 0.000 2.312 40 D HA 0.259 4.898 4.640 -0.001 0.000 0.248 40 D C 0.216 176.285 176.300 -0.385 0.000 1.086 40 D CA 0.052 53.911 54.000 -0.236 0.000 0.948 40 D CB 0.645 41.387 40.800 -0.096 0.000 1.162 40 D HN 0.018 nan 8.370 nan 0.000 0.446 41 F N -0.128 119.812 119.950 -0.016 0.000 2.653 41 F HA 0.025 4.551 4.527 -0.002 0.000 0.304 41 F C 1.318 177.098 175.800 -0.033 0.000 1.092 41 F CA -0.438 57.547 58.000 -0.025 0.000 1.279 41 F CB 0.038 39.021 39.000 -0.028 0.000 1.044 41 F HN 0.040 nan 8.300 nan 0.000 0.564 42 S N 0.779 116.535 115.700 0.093 0.000 2.576 42 S HA 0.368 4.837 4.470 -0.001 0.000 0.276 42 S C -2.499 172.128 174.600 0.045 0.000 1.339 42 S CA -1.267 56.965 58.200 0.053 0.000 1.039 42 S CB 0.837 64.055 63.200 0.029 0.000 0.902 42 S HN -0.120 nan 8.310 nan 0.000 0.516 43 P HA 0.383 nan 4.420 nan 0.000 0.273 43 P C -1.108 176.227 177.300 0.059 0.000 1.250 43 P CA -0.658 62.474 63.100 0.054 0.000 0.793 43 P CB 0.392 32.128 31.700 0.060 0.000 1.011 44 V N 1.964 121.928 119.914 0.084 0.000 2.525 44 V HA 0.330 4.449 4.120 -0.001 0.000 0.299 44 V C -2.203 173.964 176.094 0.121 0.000 1.034 44 V CA -1.816 60.541 62.300 0.094 0.000 0.863 44 V CB 1.640 33.545 31.823 0.136 0.000 0.999 44 V HN 0.582 nan 8.190 nan 0.000 0.423 45 P HA 0.013 nan 4.420 nan 0.000 0.269 45 P C 1.035 178.384 177.300 0.082 0.000 1.215 45 P CA -0.223 62.893 63.100 0.027 0.000 0.780 45 P CB 0.654 32.276 31.700 -0.130 0.000 0.898 46 W N 2.116 123.537 121.300 0.202 0.000 2.350 46 W HA -0.153 4.506 4.660 -0.002 0.000 0.289 46 W C 1.016 177.740 176.519 0.342 0.000 1.215 46 W CA 1.341 58.859 57.345 0.288 0.000 1.236 46 W CB -2.306 27.276 29.460 0.205 0.000 1.130 46 W HN 0.344 nan 8.180 nan 0.000 0.541 47 S N 0.478 115.774 115.700 -0.673 0.000 2.584 47 S HA -0.170 4.299 4.470 -0.001 0.000 0.240 47 S C 1.592 176.059 174.600 -0.221 0.000 0.975 47 S CA 0.938 58.734 58.200 -0.673 0.000 0.949 47 S CB -0.441 62.159 63.200 -1.000 0.000 0.761 47 S HN 0.267 nan 8.310 nan 0.000 0.536 48 Q N -0.468 119.243 119.800 -0.149 0.000 2.389 48 Q HA 0.146 4.485 4.340 -0.001 0.000 0.204 48 Q C 0.498 176.215 176.000 -0.471 0.000 0.944 48 Q CA 0.942 56.556 55.803 -0.314 0.000 0.908 48 Q CB -0.038 28.454 28.738 -0.410 0.000 1.002 48 Q HN 0.842 nan 8.270 nan 0.000 0.493 49 Y N -2.558 117.736 120.300 -0.010 0.000 2.572 49 Y HA 0.181 4.730 4.550 -0.002 0.000 0.274 49 Y C 0.184 175.965 175.900 -0.198 0.000 1.135 49 Y CA -0.389 57.621 58.100 -0.151 0.000 1.230 49 Y CB 0.732 39.021 38.460 -0.285 0.000 1.293 49 Y HN -0.138 nan 8.280 nan 0.000 0.501 50 F N 1.123 121.338 119.950 0.441 0.000 2.421 50 F HA 0.313 4.839 4.527 -0.002 0.000 0.337 50 F C 1.196 177.244 175.800 0.415 0.000 1.105 50 F CA -0.939 57.338 58.000 0.460 0.000 1.049 50 F CB 1.387 40.767 39.000 0.633 0.000 1.139 50 F HN -0.069 nan 8.300 nan 0.000 0.479 51 E N 0.668 121.166 120.200 0.497 0.000 2.152 51 E HA -0.033 4.316 4.350 -0.001 0.000 0.192 51 E C 0.343 177.182 176.600 0.400 0.000 0.983 51 E CA 1.066 57.670 56.400 0.340 0.000 0.818 51 E CB 0.224 30.064 29.700 0.232 0.000 0.758 51 E HN 0.604 nan 8.360 nan 0.000 0.467 52 S N -0.883 115.100 115.700 0.470 0.000 2.727 52 S HA 0.613 5.082 4.470 -0.001 0.000 0.278 52 S C -0.896 173.788 174.600 0.140 0.000 1.186 52 S CA -1.112 57.310 58.200 0.370 0.000 0.836 52 S CB 1.387 64.706 63.200 0.197 0.000 1.186 52 S HN 0.130 nan 8.310 nan 0.000 0.499 53 M N -0.404 119.150 119.600 -0.076 0.000 2.683 53 M HA 0.844 5.323 4.480 -0.001 0.000 0.274 53 M C -1.308 174.831 176.300 -0.268 0.000 1.272 53 M CA -0.489 54.559 55.300 -0.420 0.000 0.833 53 M CB 2.050 34.094 32.600 -0.927 0.000 1.708 53 M HN 0.852 nan 8.290 nan 0.000 0.463 54 E N 0.096 120.096 120.200 -0.333 0.000 2.335 54 E HA 0.262 4.611 4.350 -0.001 0.000 0.280 54 E C -1.849 174.623 176.600 -0.212 0.000 0.918 54 E CA -0.567 55.709 56.400 -0.207 0.000 0.765 54 E CB 1.991 31.604 29.700 -0.146 0.000 1.218 54 E HN 0.840 nan 8.360 nan 0.000 0.425 55 D N 3.538 123.854 120.400 -0.140 0.000 2.500 55 D HA 0.177 4.816 4.640 -0.001 0.000 0.219 55 D C -0.391 175.882 176.300 -0.045 0.000 1.137 55 D CA -0.095 53.848 54.000 -0.094 0.000 0.946 55 D CB 1.203 41.957 40.800 -0.078 0.000 1.022 55 D HN 0.115 nan 8.370 nan 0.000 0.518 56 V N 2.812 122.713 119.914 -0.021 0.000 2.521 56 V HA 0.002 4.121 4.120 -0.001 0.000 0.286 56 V C 0.814 176.944 176.094 0.060 0.000 1.034 56 V CA -0.141 62.150 62.300 -0.015 0.000 1.045 56 V CB 0.824 32.605 31.823 -0.070 0.000 0.974 56 V HN 0.293 nan 8.190 nan 0.000 0.480 57 E N 3.687 123.898 120.200 0.019 0.000 2.227 57 E HA 0.562 4.912 4.350 -0.001 0.000 0.282 57 E C -1.079 175.545 176.600 0.040 0.000 1.015 57 E CA -0.412 56.014 56.400 0.042 0.000 0.823 57 E CB 1.942 31.648 29.700 0.010 0.000 1.081 57 E HN 0.436 nan 8.360 nan 0.000 0.396 58 V N 3.271 123.240 119.914 0.092 0.000 2.623 58 V HA 0.166 4.285 4.120 -0.001 0.000 0.304 58 V C -0.467 175.671 176.094 0.073 0.000 1.054 58 V CA -0.836 61.505 62.300 0.068 0.000 0.882 58 V CB 1.844 33.717 31.823 0.083 0.000 1.002 58 V HN 0.730 nan 8.190 nan 0.000 0.424 59 E N 5.068 125.288 120.200 0.033 0.000 2.202 59 E HA 0.629 4.978 4.350 -0.001 0.000 0.272 59 E C -0.643 175.971 176.600 0.024 0.000 0.951 59 E CA -0.776 55.641 56.400 0.028 0.000 0.813 59 E CB 2.331 32.039 29.700 0.013 0.000 1.151 59 E HN 0.750 nan 8.360 nan 0.000 0.398 60 N N 1.989 120.705 118.700 0.026 0.000 2.431 60 N HA 0.104 4.843 4.740 -0.001 0.000 0.137 60 N C 0.573 176.093 175.510 0.016 0.000 1.797 60 N CA -0.533 52.530 53.050 0.021 0.000 1.247 60 N CB 0.455 38.960 38.487 0.030 0.000 1.489 60 N HN 0.455 nan 8.380 nan 0.000 0.312 61 E N 0.289 120.499 120.200 0.017 0.000 2.134 61 E HA 0.029 4.378 4.350 -0.001 0.000 0.194 61 E C 1.939 178.546 176.600 0.012 0.000 0.937 61 E CA 1.460 57.867 56.400 0.013 0.000 0.874 61 E CB 0.098 29.806 29.700 0.013 0.000 0.853 61 E HN 0.613 nan 8.360 nan 0.000 0.471 62 T N -1.563 112.999 114.554 0.013 0.000 2.812 62 T HA 0.174 4.523 4.350 -0.001 0.000 0.264 62 T C 1.072 175.778 174.700 0.009 0.000 1.042 62 T CA 0.750 62.856 62.100 0.011 0.000 1.140 62 T CB 0.233 69.108 68.868 0.011 0.000 0.870 62 T HN 0.251 nan 8.240 nan 0.000 0.445 63 G N 0.302 109.110 108.800 0.013 0.000 2.562 63 G HA2 0.481 4.440 3.960 -0.001 0.000 0.190 63 G HA3 0.481 4.440 3.960 -0.001 0.000 0.190 63 G C -1.860 173.051 174.900 0.018 0.000 1.196 63 G CA -0.579 44.527 45.100 0.011 0.000 0.986 63 G HN 0.360 nan 8.290 nan 0.000 0.512 64 K N 1.034 121.443 120.400 0.016 0.000 2.371 64 K HA 0.563 4.882 4.320 -0.001 0.000 0.251 64 K C -1.803 174.810 176.600 0.021 0.000 0.934 64 K CA -0.473 55.829 56.287 0.025 0.000 0.798 64 K CB 2.221 34.731 32.500 0.016 0.000 1.204 64 K HN 0.498 nan 8.250 nan 0.000 0.427 65 D N 1.523 121.955 120.400 0.054 0.000 2.527 65 D HA 0.368 5.007 4.640 -0.001 0.000 0.233 65 D C -0.896 175.433 176.300 0.048 0.000 1.063 65 D CA -0.282 53.724 54.000 0.009 0.000 0.880 65 D CB 2.194 42.996 40.800 0.004 0.000 1.457 65 D HN 0.397 nan 8.370 nan 0.000 0.475 66 T N 1.132 115.637 114.554 -0.081 0.000 2.807 66 T HA 0.341 4.690 4.350 -0.001 0.000 0.279 66 T C 0.423 175.037 174.700 -0.143 0.000 0.993 66 T CA -0.396 61.690 62.100 -0.024 0.000 0.970 66 T CB 1.079 69.920 68.868 -0.045 0.000 0.950 66 T HN 0.198 nan 8.240 nan 0.000 0.441 67 F N 1.196 121.108 119.950 -0.064 0.000 2.490 67 F HA 0.416 4.942 4.527 -0.001 0.000 0.280 67 F C 1.052 176.802 175.800 -0.083 0.000 1.030 67 F CA -0.256 57.709 58.000 -0.058 0.000 1.367 67 F CB 0.426 39.388 39.000 -0.063 0.000 1.131 67 F HN 0.471 nan 8.300 nan 0.000 0.632 68 R N 0.530 121.039 120.500 0.016 0.000 1.317 68 R HA -0.060 4.279 4.340 -0.001 0.000 0.418 68 R C -1.964 174.216 176.300 -0.200 0.000 1.296 68 R CA 0.304 56.301 56.100 -0.171 0.000 0.915 68 R CB -1.446 28.747 30.300 -0.179 0.000 2.946 68 R HN 0.161 nan 8.270 nan 0.000 0.503 69 V N 2.757 122.458 119.914 -0.355 0.000 2.823 69 V HA 0.818 4.937 4.120 -0.001 0.000 0.312 69 V C -0.696 175.028 176.094 -0.616 0.000 1.072 69 V CA -0.913 61.192 62.300 -0.325 0.000 0.937 69 V CB 2.200 33.913 31.823 -0.183 0.000 1.013 69 V HN 0.521 nan 8.190 nan 0.000 0.430 70 Y N 1.818 121.843 120.300 -0.458 0.000 2.328 70 Y HA 0.681 5.231 4.550 -0.002 0.000 0.337 70 Y C 0.448 176.067 175.900 -0.468 0.000 0.966 70 Y CA -0.454 57.181 58.100 -0.775 0.000 1.136 70 Y CB 1.840 39.294 38.460 -1.677 0.000 1.170 70 Y HN 0.601 nan 8.280 nan 0.000 0.470 71 K N 1.511 121.910 120.400 -0.003 0.000 2.221 71 K HA 0.799 5.118 4.320 -0.001 0.000 0.243 71 K C -0.807 176.036 176.600 0.404 0.000 0.968 71 K CA -1.059 55.342 56.287 0.190 0.000 0.846 71 K CB 2.100 34.663 32.500 0.104 0.000 1.141 71 K HN 0.508 nan 8.250 nan 0.000 0.434 72 S N 0.128 116.025 115.700 0.329 0.000 2.570 72 S HA 0.614 5.083 4.470 -0.001 0.000 0.286 72 S C -1.290 173.417 174.600 0.177 0.000 1.143 72 S CA 0.199 58.568 58.200 0.282 0.000 0.921 72 S CB 1.126 64.520 63.200 0.323 0.000 1.108 72 S HN 1.014 nan 8.310 nan 0.000 0.456 73 G N 2.267 111.147 108.800 0.133 0.000 2.619 73 G HA2 0.117 4.077 3.960 -0.001 0.000 0.686 73 G HA3 0.117 4.077 3.960 -0.001 0.000 0.686 73 G C 0.226 175.174 174.900 0.080 0.000 1.256 73 G CA 0.416 45.571 45.100 0.092 0.000 0.826 73 G HN 1.875 nan 8.290 nan 0.000 0.619 74 S N -0.927 114.808 115.700 0.060 0.000 2.631 74 S HA 0.492 4.961 4.470 -0.001 0.000 0.246 74 S C 0.472 175.093 174.600 0.035 0.000 1.068 74 S CA 0.997 59.227 58.200 0.050 0.000 0.995 74 S CB 0.979 64.206 63.200 0.046 0.000 0.944 74 S HN 0.823 nan 8.310 nan 0.000 0.529 75 E N 0.146 120.365 120.200 0.031 0.000 2.431 75 E HA 0.637 4.987 4.350 -0.001 0.000 0.268 75 E C 0.010 176.623 176.600 0.022 0.000 0.953 75 E CA -0.660 55.753 56.400 0.021 0.000 0.810 75 E CB 1.651 31.363 29.700 0.020 0.000 1.369 75 E HN 0.465 nan 8.360 nan 0.000 0.440 76 G N 0.946 109.756 108.800 0.017 0.000 2.796 76 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.226 76 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.226 76 G C -2.639 172.267 174.900 0.010 0.000 1.381 76 G CA -0.716 44.399 45.100 0.024 0.000 0.867 76 G HN 0.401 nan 8.290 nan 0.000 0.552 77 P HA 0.431 nan 4.420 nan 0.000 0.274 77 P C 0.042 177.337 177.300 -0.009 0.000 1.231 77 P CA -0.276 62.818 63.100 -0.010 0.000 0.790 77 P CB 1.146 32.853 31.700 0.012 0.000 0.951 78 V N 3.560 123.447 119.914 -0.045 0.000 2.461 78 V HA 0.066 4.185 4.120 -0.001 0.000 0.275 78 V C 0.447 176.531 176.094 -0.017 0.000 1.047 78 V CA -0.257 62.030 62.300 -0.022 0.000 0.955 78 V CB 0.621 32.419 31.823 -0.042 0.000 0.988 78 V HN 0.321 nan 8.190 nan 0.000 0.471 79 L N 6.381 127.611 121.223 0.012 0.000 2.259 79 L HA 0.401 4.740 4.340 -0.001 0.000 0.288 79 L C -0.297 176.532 176.870 -0.068 0.000 1.051 79 L CA -0.213 54.621 54.840 -0.010 0.000 0.824 79 L CB 0.961 43.058 42.059 0.064 0.000 1.206 79 L HN 0.472 nan 8.230 nan 0.000 0.429 80 L N 5.726 126.879 121.223 -0.117 0.000 2.278 80 L HA 0.449 4.788 4.340 -0.001 0.000 0.287 80 L C -0.634 176.051 176.870 -0.309 0.000 1.072 80 L CA 0.138 54.884 54.840 -0.157 0.000 0.819 80 L CB 0.362 42.354 42.059 -0.112 0.000 1.176 80 L HN 0.383 nan 8.230 nan 0.000 0.435 81 L N 6.682 127.639 121.223 -0.443 0.000 2.296 81 L HA 0.523 4.862 4.340 -0.001 0.000 0.286 81 L C -0.809 175.717 176.870 -0.574 0.000 1.023 81 L CA -0.607 53.681 54.840 -0.920 0.000 0.812 81 L CB 1.379 42.451 42.059 -1.645 0.000 1.223 81 L HN 0.476 nan 8.230 nan 0.000 0.421 82 L N 3.117 124.131 121.223 -0.349 0.000 2.342 82 L HA 0.403 4.742 4.340 -0.001 0.000 0.276 82 L C -0.140 176.873 176.870 0.237 0.000 0.997 82 L CA -0.973 53.822 54.840 -0.076 0.000 0.838 82 L CB 1.190 43.137 42.059 -0.187 0.000 1.224 82 L HN 0.656 nan 8.230 nan 0.000 0.416 83 H N 0.907 120.237 119.070 0.433 0.000 2.730 83 H HA 0.509 5.064 4.556 -0.002 0.000 0.376 83 H C 0.633 176.041 175.328 0.134 0.000 1.299 83 H CA -0.162 56.069 56.048 0.304 0.000 1.447 83 H CB 0.405 30.320 29.762 0.254 0.000 1.493 83 H HN 0.580 nan 8.280 nan 0.000 0.619 84 G N -0.608 108.420 108.800 0.381 0.000 2.653 84 G HA2 0.382 4.341 3.960 -0.001 0.000 0.265 84 G HA3 0.382 4.341 3.960 -0.001 0.000 0.265 84 G C 0.300 175.475 174.900 0.457 0.000 1.237 84 G CA -0.521 44.812 45.100 0.388 0.000 0.946 84 G HN 0.907 nan 8.290 nan 0.000 0.522 85 G N -1.884 107.122 108.800 0.342 0.000 2.380 85 G HA2 0.508 4.467 3.960 -0.001 0.000 0.242 85 G HA3 0.508 4.467 3.960 -0.001 0.000 0.242 85 G C 1.250 176.415 174.900 0.441 0.000 1.298 85 G CA 0.728 46.062 45.100 0.390 0.000 0.878 85 G HN 1.956 nan 8.290 nan 0.000 0.542 86 G N 0.946 110.110 108.800 0.607 0.000 2.175 86 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.265 86 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.265 86 G C 0.554 175.538 174.900 0.139 0.000 0.979 86 G CA 0.933 46.201 45.100 0.279 0.000 0.663 86 G HN 0.868 nan 8.290 nan 0.000 0.533 87 H N -0.027 119.279 119.070 0.394 0.000 3.330 87 H HA 0.794 5.349 4.556 -0.001 0.000 0.229 87 H C 0.764 175.948 175.328 -0.240 0.000 1.635 87 H CA 0.452 56.581 56.048 0.135 0.000 1.676 87 H CB 1.530 31.369 29.762 0.128 0.000 1.440 87 H HN 0.707 nan 8.280 nan 0.000 0.967 88 S N -1.650 113.877 115.700 -0.289 0.000 2.643 88 S HA 0.450 4.919 4.470 -0.001 0.000 0.270 88 S C 0.643 175.183 174.600 -0.099 0.000 1.166 88 S CA -0.309 57.625 58.200 -0.443 0.000 0.815 88 S CB 1.301 64.478 63.200 -0.040 0.000 1.139 88 S HN 0.686 nan 8.310 nan 0.000 0.472 89 A N 0.305 123.215 122.820 0.150 0.000 2.084 89 A HA 0.034 4.353 4.320 -0.001 0.000 0.221 89 A C 1.817 179.599 177.584 0.330 0.000 1.161 89 A CA 1.475 53.745 52.037 0.387 0.000 0.653 89 A CB -1.178 18.028 19.000 0.344 0.000 0.802 89 A HN 0.790 nan 8.150 nan 0.000 0.457 90 L N -0.421 120.861 121.223 0.098 0.000 2.362 90 L HA -0.118 4.221 4.340 -0.001 0.000 0.219 90 L C 2.461 179.384 176.870 0.088 0.000 1.134 90 L CA 0.931 55.825 54.840 0.090 0.000 0.807 90 L CB -0.336 41.729 42.059 0.010 0.000 0.927 90 L HN 0.289 nan 8.230 nan 0.000 0.447 91 S N -0.991 114.722 115.700 0.021 0.000 2.442 91 S HA -0.170 4.299 4.470 -0.001 0.000 0.236 91 S C 1.164 175.622 174.600 -0.237 0.000 1.007 91 S CA 1.221 59.290 58.200 -0.218 0.000 0.965 91 S CB -0.280 62.701 63.200 -0.365 0.000 0.773 91 S HN 0.550 nan 8.310 nan 0.000 0.504 92 W N 1.025 122.434 121.300 0.182 0.000 3.278 92 W HA 0.494 5.153 4.660 -0.002 0.000 0.308 92 W C 2.069 178.702 176.519 0.190 0.000 1.253 92 W CA -0.127 57.371 57.345 0.255 0.000 1.759 92 W CB -0.373 29.270 29.460 0.304 0.000 1.093 92 W HN 0.195 nan 8.180 nan 0.000 0.648 93 A N 0.402 123.325 122.820 0.172 0.000 1.859 93 A HA -0.223 4.096 4.320 -0.001 0.000 0.217 93 A C 1.972 179.320 177.584 -0.392 0.000 1.198 93 A CA 2.579 54.470 52.037 -0.244 0.000 0.629 93 A CB -0.996 17.801 19.000 -0.338 0.000 0.830 93 A HN 0.082 nan 8.150 nan 0.000 0.446 94 V N -1.147 118.541 119.914 -0.376 0.000 2.307 94 V HA -0.207 3.912 4.120 -0.001 0.000 0.245 94 V C 2.268 178.358 176.094 -0.007 0.000 1.045 94 V CA 1.941 64.075 62.300 -0.276 0.000 1.024 94 V CB -1.166 30.518 31.823 -0.231 0.000 0.651 94 V HN 0.608 nan 8.190 nan 0.000 0.449 95 F N 1.892 121.826 119.950 -0.026 0.000 2.063 95 F HA -0.344 4.182 4.527 -0.002 0.000 0.298 95 F C 2.417 178.271 175.800 0.091 0.000 1.105 95 F CA 2.679 60.733 58.000 0.090 0.000 1.215 95 F CB -0.928 38.223 39.000 0.252 0.000 0.972 95 F HN 0.159 nan 8.300 nan 0.000 0.483 96 T N 0.908 115.496 114.554 0.056 0.000 2.635 96 T HA -0.273 4.076 4.350 -0.001 0.000 0.267 96 T C 2.196 176.813 174.700 -0.138 0.000 1.040 96 T CA 1.947 64.000 62.100 -0.078 0.000 1.156 96 T CB -1.133 67.715 68.868 -0.034 0.000 0.863 96 T HN 0.463 nan 8.240 nan 0.000 0.430 97 A N 1.423 124.208 122.820 -0.058 0.000 1.908 97 A HA 0.051 4.370 4.320 -0.001 0.000 0.218 97 A C 2.641 180.195 177.584 -0.049 0.000 1.181 97 A CA 2.094 54.134 52.037 0.004 0.000 0.627 97 A CB -1.125 17.977 19.000 0.171 0.000 0.818 97 A HN 0.552 nan 8.150 nan 0.000 0.445 98 A N -0.762 122.002 122.820 -0.093 0.000 1.929 98 A HA 0.027 4.346 4.320 -0.001 0.000 0.216 98 A C 2.150 179.635 177.584 -0.165 0.000 1.176 98 A CA 1.420 53.395 52.037 -0.103 0.000 0.628 98 A CB -0.380 18.572 19.000 -0.080 0.000 0.816 98 A HN 0.469 nan 8.150 nan 0.000 0.444 99 I N -0.275 120.101 120.570 -0.324 0.000 2.406 99 I HA -0.103 4.066 4.170 -0.001 0.000 0.249 99 I C 2.041 178.068 176.117 -0.150 0.000 1.122 99 I CA 0.998 62.109 61.300 -0.316 0.000 1.431 99 I CB -0.341 37.270 38.000 -0.649 0.000 1.087 99 I HN 0.191 nan 8.210 nan 0.000 0.424 100 I N 1.363 121.860 120.570 -0.121 0.000 2.264 100 I HA -0.245 3.924 4.170 -0.001 0.000 0.248 100 I C 2.374 178.474 176.117 -0.029 0.000 1.111 100 I CA 1.691 62.964 61.300 -0.046 0.000 1.382 100 I CB -0.935 37.053 38.000 -0.019 0.000 1.060 100 I HN 0.302 nan 8.210 nan 0.000 0.418 101 S N -0.567 115.110 115.700 -0.038 0.000 2.701 101 S HA 0.104 4.573 4.470 -0.001 0.000 0.220 101 S C 1.702 176.291 174.600 -0.018 0.000 0.954 101 S CA -0.079 58.108 58.200 -0.022 0.000 0.936 101 S CB 0.125 63.312 63.200 -0.021 0.000 0.777 101 S HN 0.405 nan 8.310 nan 0.000 0.518 102 R N 0.137 120.624 120.500 -0.022 0.000 2.197 102 R HA 0.316 4.655 4.340 -0.001 0.000 0.188 102 R C 0.041 176.346 176.300 0.007 0.000 1.015 102 R CA 0.867 56.963 56.100 -0.007 0.000 1.132 102 R CB 0.789 31.082 30.300 -0.010 0.000 1.134 102 R HN 0.456 nan 8.270 nan 0.000 0.560 103 V N -0.801 119.119 119.914 0.009 0.000 3.001 103 V HA 0.405 4.524 4.120 -0.001 0.000 0.314 103 V C -0.929 175.180 176.094 0.025 0.000 1.099 103 V CA -1.184 61.132 62.300 0.027 0.000 0.989 103 V CB 2.029 33.882 31.823 0.051 0.000 1.040 103 V HN 0.087 nan 8.190 nan 0.000 0.434 104 Q N 1.824 121.643 119.800 0.031 0.000 2.381 104 Q HA 0.469 4.808 4.340 -0.001 0.000 0.243 104 Q C -0.153 175.871 176.000 0.040 0.000 1.154 104 Q CA -0.204 55.618 55.803 0.031 0.000 0.899 104 Q CB 0.545 29.300 28.738 0.028 0.000 1.396 104 Q HN 1.006 nan 8.270 nan 0.000 0.485 105 C N 0.388 119.712 119.300 0.040 0.000 3.213 105 C HA 0.748 5.208 4.460 -0.001 0.000 0.319 105 C C -0.477 174.543 174.990 0.050 0.000 1.386 105 C CA -1.269 57.778 59.018 0.047 0.000 1.494 105 C CB 1.858 29.633 27.740 0.058 0.000 1.905 105 C HN 0.741 nan 8.230 nan 0.000 0.456 106 R N 0.535 121.066 120.500 0.052 0.000 2.732 106 R HA 0.788 5.127 4.340 -0.001 0.000 0.278 106 R C -1.060 175.294 176.300 0.090 0.000 0.976 106 R CA -0.658 55.485 56.100 0.071 0.000 0.963 106 R CB 1.510 31.845 30.300 0.058 0.000 1.150 106 R HN 0.624 nan 8.270 nan 0.000 0.478 107 I N 2.400 123.050 120.570 0.132 0.000 2.436 107 I HA 0.298 4.467 4.170 -0.001 0.000 0.289 107 I C -0.619 175.591 176.117 0.154 0.000 1.010 107 I CA -0.688 60.711 61.300 0.165 0.000 1.098 107 I CB 2.030 40.190 38.000 0.266 0.000 1.266 107 I HN 0.300 nan 8.210 nan 0.000 0.434 108 V N 5.865 125.830 119.914 0.083 0.000 2.340 108 V HA 0.452 4.571 4.120 -0.001 0.000 0.277 108 V C 0.372 176.451 176.094 -0.025 0.000 1.017 108 V CA -0.641 61.680 62.300 0.036 0.000 0.820 108 V CB 1.482 33.325 31.823 0.034 0.000 1.028 108 V HN 0.827 nan 8.190 nan 0.000 0.436 109 A N 5.605 128.429 122.820 0.005 0.000 2.294 109 A HA 0.738 5.057 4.320 -0.001 0.000 0.316 109 A C -0.683 176.932 177.584 0.052 0.000 1.359 109 A CA -0.310 51.728 52.037 0.002 0.000 0.956 109 A CB 0.459 19.565 19.000 0.176 0.000 1.155 109 A HN 0.811 nan 8.150 nan 0.000 0.544 110 L N 2.467 123.720 121.223 0.050 0.000 2.275 110 L HA 0.468 4.807 4.340 -0.001 0.000 0.288 110 L C -0.772 176.259 176.870 0.267 0.000 1.046 110 L CA -0.286 54.612 54.840 0.096 0.000 0.805 110 L CB 1.070 43.136 42.059 0.011 0.000 1.193 110 L HN 0.519 nan 8.230 nan 0.000 0.426 111 D N 5.393 125.959 120.400 0.276 0.000 2.346 111 D HA 0.225 4.864 4.640 -0.001 0.000 0.260 111 D C 0.157 176.695 176.300 0.397 0.000 1.252 111 D CA 0.325 54.543 54.000 0.363 0.000 0.895 111 D CB 0.481 41.420 40.800 0.231 0.000 1.097 111 D HN 0.501 nan 8.370 nan 0.000 0.489 112 L N 2.203 123.732 121.223 0.511 0.000 2.476 112 L HA 0.193 4.532 4.340 -0.001 0.000 0.255 112 L C 1.482 178.547 176.870 0.325 0.000 1.218 112 L CA -0.543 54.460 54.840 0.271 0.000 0.819 112 L CB 0.392 42.393 42.059 -0.096 0.000 1.119 112 L HN 0.341 nan 8.230 nan 0.000 0.485 113 R N 0.434 121.088 120.500 0.257 0.000 2.640 113 R HA 0.016 4.355 4.340 -0.001 0.000 0.270 113 R C 0.336 176.784 176.300 0.246 0.000 1.024 113 R CA 0.474 56.653 56.100 0.131 0.000 1.085 113 R CB 0.261 30.612 30.300 0.085 0.000 0.963 113 R HN 0.766 nan 8.270 nan 0.000 0.426 114 S N -0.397 115.353 115.700 0.083 0.000 2.829 114 S HA -0.200 4.269 4.470 -0.001 0.000 0.267 114 S C -0.418 174.148 174.600 -0.058 0.000 1.293 114 S CA 1.894 60.104 58.200 0.017 0.000 1.375 114 S CB -1.553 61.651 63.200 0.007 0.000 1.700 114 S HN 0.926 nan 8.310 nan 0.000 0.668 115 H N 0.114 119.250 119.070 0.111 0.000 2.567 115 H HA 0.618 5.173 4.556 -0.001 0.000 0.345 115 H C 1.221 176.598 175.328 0.082 0.000 1.169 115 H CA 0.534 56.660 56.048 0.130 0.000 1.227 115 H CB 0.689 30.594 29.762 0.239 0.000 1.607 115 H HN 0.378 nan 8.280 nan 0.000 0.534 116 G N 1.211 110.116 108.800 0.175 0.000 2.660 116 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.321 116 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.321 116 G C 0.454 175.411 174.900 0.095 0.000 1.246 116 G CA 0.670 45.848 45.100 0.131 0.000 1.000 116 G HN 0.635 nan 8.290 nan 0.000 0.550 117 E N 1.399 121.646 120.200 0.078 0.000 2.585 117 E HA 0.237 4.586 4.350 -0.001 0.000 0.206 117 E C 0.146 176.729 176.600 -0.029 0.000 1.007 117 E CA 0.153 56.567 56.400 0.024 0.000 1.028 117 E CB 0.379 30.088 29.700 0.015 0.000 1.087 117 E HN 0.349 nan 8.360 nan 0.000 0.455 118 T N 3.062 117.595 114.554 -0.035 0.000 2.739 118 T HA 0.139 4.488 4.350 -0.001 0.000 0.298 118 T C 0.223 174.805 174.700 -0.196 0.000 0.929 118 T CA -0.390 61.613 62.100 -0.160 0.000 1.014 118 T CB 0.474 69.232 68.868 -0.183 0.000 0.914 118 T HN -0.129 nan 8.240 nan 0.000 0.509 119 K N 3.686 123.961 120.400 -0.209 0.000 2.264 119 K HA 0.490 4.810 4.320 -0.001 0.000 0.277 119 K C -0.716 175.754 176.600 -0.217 0.000 1.067 119 K CA -0.570 55.621 56.287 -0.159 0.000 0.900 119 K CB 1.283 33.722 32.500 -0.101 0.000 1.124 119 K HN 0.255 nan 8.250 nan 0.000 0.469 120 V N 3.126 122.931 119.914 -0.182 0.000 2.604 120 V HA 0.114 4.233 4.120 -0.001 0.000 0.305 120 V C 1.362 177.409 176.094 -0.079 0.000 1.043 120 V CA -0.919 61.281 62.300 -0.166 0.000 0.888 120 V CB 1.836 33.548 31.823 -0.186 0.000 0.995 120 V HN 0.703 nan 8.190 nan 0.000 0.429 121 K N 3.683 124.053 120.400 -0.050 0.000 2.160 121 K HA -0.145 4.174 4.320 -0.001 0.000 0.206 121 K C 0.763 177.353 176.600 -0.016 0.000 1.047 121 K CA 1.830 58.103 56.287 -0.025 0.000 0.930 121 K CB -0.060 32.434 32.500 -0.010 0.000 0.720 121 K HN 0.646 nan 8.250 nan 0.000 0.450 122 N N -0.120 118.571 118.700 -0.014 0.000 2.746 122 N HA 0.234 4.973 4.740 -0.001 0.000 0.250 122 N C -2.499 173.008 175.510 -0.005 0.000 1.146 122 N CA -2.119 50.929 53.050 -0.002 0.000 0.828 122 N CB 1.595 40.087 38.487 0.009 0.000 1.158 122 N HN -0.028 nan 8.380 nan 0.000 0.519 123 P HA 0.114 nan 4.420 nan 0.000 0.262 123 P C 0.565 177.880 177.300 0.025 0.000 1.304 123 P CA 0.298 63.398 63.100 -0.001 0.000 0.859 123 P CB 0.759 32.452 31.700 -0.011 0.000 1.310 124 E N 0.639 120.859 120.200 0.034 0.000 2.276 124 E HA -0.052 4.297 4.350 -0.001 0.000 0.193 124 E C -0.141 176.506 176.600 0.078 0.000 0.983 124 E CA 0.264 56.707 56.400 0.071 0.000 0.861 124 E CB 0.013 29.756 29.700 0.071 0.000 0.817 124 E HN 0.086 nan 8.360 nan 0.000 0.485 125 D N 0.484 120.886 120.400 0.003 0.000 2.374 125 D HA 0.074 4.713 4.640 -0.001 0.000 0.240 125 D C -0.466 175.659 176.300 -0.291 0.000 1.229 125 D CA -0.004 53.922 54.000 -0.124 0.000 0.895 125 D CB 0.162 40.938 40.800 -0.041 0.000 1.046 125 D HN 0.021 nan 8.370 nan 0.000 0.498 126 L N 3.231 124.002 121.223 -0.754 0.000 3.100 126 L HA 0.203 4.542 4.340 -0.001 0.000 0.259 126 L C 0.467 177.049 176.870 -0.479 0.000 1.316 126 L CA -0.429 54.156 54.840 -0.424 0.000 0.992 126 L CB 0.192 42.261 42.059 0.016 0.000 1.390 126 L HN 0.305 nan 8.230 nan 0.000 0.550 127 S N -1.040 114.359 115.700 -0.502 0.000 2.603 127 S HA 0.438 4.907 4.470 -0.001 0.000 0.268 127 S C 1.538 176.193 174.600 0.092 0.000 1.317 127 S CA -0.081 58.074 58.200 -0.075 0.000 1.012 127 S CB 1.782 64.978 63.200 -0.007 0.000 0.926 127 S HN 0.293 nan 8.310 nan 0.000 0.539 128 A N 1.519 124.431 122.820 0.153 0.000 1.908 128 A HA -0.121 4.198 4.320 -0.001 0.000 0.218 128 A C 1.957 179.449 177.584 -0.153 0.000 1.181 128 A CA 1.901 53.863 52.037 -0.125 0.000 0.627 128 A CB -1.094 17.644 19.000 -0.436 0.000 0.818 128 A HN 0.917 nan 8.150 nan 0.000 0.445 129 E N -0.473 119.702 120.200 -0.042 0.000 2.047 129 E HA -0.073 4.276 4.350 -0.001 0.000 0.191 129 E C 2.030 178.626 176.600 -0.007 0.000 0.987 129 E CA 1.666 58.071 56.400 0.009 0.000 0.799 129 E CB -0.875 28.853 29.700 0.046 0.000 0.752 129 E HN 0.531 nan 8.360 nan 0.000 0.449 130 T N 0.963 115.510 114.554 -0.011 0.000 2.746 130 T HA -0.124 4.225 4.350 -0.001 0.000 0.267 130 T C 1.851 176.546 174.700 -0.008 0.000 1.039 130 T CA 1.404 63.500 62.100 -0.007 0.000 1.142 130 T CB -0.198 68.660 68.868 -0.017 0.000 0.866 130 T HN 0.101 nan 8.240 nan 0.000 0.444 131 M N 0.651 120.229 119.600 -0.037 0.000 2.254 131 M HA 0.072 4.551 4.480 -0.001 0.000 0.265 131 M C 2.755 179.010 176.300 -0.076 0.000 1.066 131 M CA 1.088 56.358 55.300 -0.050 0.000 1.123 131 M CB -0.335 32.193 32.600 -0.121 0.000 1.388 131 M HN 0.302 nan 8.290 nan 0.000 0.425 132 A N 0.417 123.190 122.820 -0.078 0.000 1.897 132 A HA -0.150 4.169 4.320 -0.001 0.000 0.215 132 A C 2.073 179.624 177.584 -0.056 0.000 1.181 132 A CA 1.658 53.657 52.037 -0.063 0.000 0.620 132 A CB -0.455 18.536 19.000 -0.014 0.000 0.821 132 A HN 0.340 nan 8.150 nan 0.000 0.443 133 K N 0.216 120.594 120.400 -0.037 0.000 2.113 133 K HA -0.208 4.111 4.320 -0.001 0.000 0.208 133 K C 1.289 177.843 176.600 -0.076 0.000 1.047 133 K CA 1.983 58.247 56.287 -0.039 0.000 0.928 133 K CB -0.226 32.266 32.500 -0.014 0.000 0.716 133 K HN 0.404 nan 8.250 nan 0.000 0.446 134 D N -0.311 120.044 120.400 -0.075 0.000 2.097 134 D HA -0.134 4.506 4.640 -0.001 0.000 0.195 134 D C 1.931 178.045 176.300 -0.310 0.000 0.989 134 D CA 1.421 55.322 54.000 -0.166 0.000 0.827 134 D CB -0.341 40.469 40.800 0.017 0.000 0.966 134 D HN 0.049 nan 8.370 nan 0.000 0.456 135 V N 1.105 120.898 119.914 -0.202 0.000 2.282 135 V HA -0.220 3.899 4.120 -0.001 0.000 0.249 135 V C 2.573 178.557 176.094 -0.183 0.000 1.057 135 V CA 2.158 64.340 62.300 -0.196 0.000 1.032 135 V CB -1.241 30.498 31.823 -0.139 0.000 0.645 135 V HN 0.260 nan 8.190 nan 0.000 0.447 136 G N 0.125 108.842 108.800 -0.138 0.000 2.440 136 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.218 136 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.218 136 G C 1.417 176.238 174.900 -0.132 0.000 1.154 136 G CA 1.070 46.106 45.100 -0.107 0.000 0.767 136 G HN 0.535 nan 8.290 nan 0.000 0.552 137 N N 0.227 118.820 118.700 -0.178 0.000 2.244 137 N HA -0.067 4.672 4.740 -0.001 0.000 0.183 137 N C 2.303 177.657 175.510 -0.261 0.000 1.016 137 N CA 0.845 53.779 53.050 -0.194 0.000 0.866 137 N CB -0.384 37.987 38.487 -0.193 0.000 0.980 137 N HN 0.204 nan 8.380 nan 0.000 0.430 138 V N 0.550 120.244 119.914 -0.368 0.000 2.343 138 V HA -0.162 3.957 4.120 -0.001 0.000 0.247 138 V C 2.363 178.279 176.094 -0.298 0.000 1.051 138 V CA 1.075 63.145 62.300 -0.384 0.000 1.036 138 V CB -0.495 31.066 31.823 -0.437 0.000 0.654 138 V HN 0.056 nan 8.190 nan 0.000 0.451 139 V N -0.056 119.734 119.914 -0.207 0.000 2.255 139 V HA -0.324 3.795 4.120 -0.001 0.000 0.247 139 V C 2.475 178.501 176.094 -0.112 0.000 1.051 139 V CA 2.487 64.724 62.300 -0.105 0.000 1.018 139 V CB -0.616 31.221 31.823 0.023 0.000 0.641 139 V HN 0.654 nan 8.190 nan 0.000 0.445 140 E N 0.099 120.246 120.200 -0.089 0.000 2.058 140 E HA -0.257 4.092 4.350 -0.001 0.000 0.194 140 E C 2.245 178.778 176.600 -0.112 0.000 0.997 140 E CA 1.521 57.883 56.400 -0.063 0.000 0.801 140 E CB -0.234 29.432 29.700 -0.056 0.000 0.746 140 E HN 0.553 nan 8.360 nan 0.000 0.450 141 A N 0.629 123.351 122.820 -0.163 0.000 1.933 141 A HA -0.178 4.141 4.320 -0.001 0.000 0.218 141 A C 2.159 179.608 177.584 -0.225 0.000 1.175 141 A CA 1.621 53.560 52.037 -0.163 0.000 0.628 141 A CB -0.419 18.486 19.000 -0.158 0.000 0.814 141 A HN 0.296 nan 8.150 nan 0.000 0.444 142 M N -2.489 116.871 119.600 -0.399 0.000 2.193 142 M HA -0.031 4.448 4.480 -0.001 0.000 0.265 142 M C 1.590 177.539 176.300 -0.586 0.000 1.071 142 M CA 1.452 56.381 55.300 -0.619 0.000 1.140 142 M CB -0.101 31.873 32.600 -1.044 0.000 1.369 142 M HN 0.655 nan 8.290 nan 0.000 0.423 143 Y N -2.535 117.736 120.300 -0.048 0.000 3.183 143 Y HA 0.489 5.038 4.550 -0.001 0.000 0.200 143 Y C 1.941 177.819 175.900 -0.037 0.000 0.912 143 Y CA 0.117 58.194 58.100 -0.038 0.000 1.642 143 Y CB -0.958 37.479 38.460 -0.039 0.000 1.447 143 Y HN 0.241 nan 8.280 nan 0.000 0.421 144 G N 1.294 110.187 108.800 0.156 0.000 5.266 144 G HA2 -0.406 3.554 3.960 -0.001 0.000 0.262 144 G HA3 -0.406 3.554 3.960 -0.001 0.000 0.262 144 G C 1.004 175.938 174.900 0.056 0.000 1.359 144 G CA 0.985 46.123 45.100 0.065 0.000 0.955 144 G HN 0.421 nan 8.290 nan 0.000 0.754 145 D N 0.717 121.146 120.400 0.050 0.000 2.178 145 D HA 0.016 4.655 4.640 -0.001 0.000 0.201 145 D C 1.646 177.962 176.300 0.027 0.000 0.980 145 D CA 1.284 55.303 54.000 0.031 0.000 0.842 145 D CB 0.480 41.295 40.800 0.026 0.000 0.948 145 D HN 0.409 nan 8.370 nan 0.000 0.472 146 L N 1.674 122.926 121.223 0.048 0.000 2.551 146 L HA 0.245 4.585 4.340 -0.001 0.000 0.248 146 L C -2.654 174.182 176.870 -0.056 0.000 1.509 146 L CA -1.539 53.303 54.840 0.003 0.000 0.842 146 L CB 1.686 43.750 42.059 0.008 0.000 1.087 146 L HN -0.280 nan 8.230 nan 0.000 0.512 147 P HA 0.294 nan 4.420 nan 0.000 0.276 147 P C -2.656 174.490 177.300 -0.257 0.000 1.253 147 P CA -1.094 61.898 63.100 -0.180 0.000 0.766 147 P CB 0.502 32.170 31.700 -0.053 0.000 0.845 148 P HA 0.371 nan 4.420 nan 0.000 0.278 148 P C -2.720 174.444 177.300 -0.227 0.000 1.258 148 P CA -2.564 60.360 63.100 -0.293 0.000 0.811 148 P CB -0.771 30.720 31.700 -0.350 0.000 1.063 149 P HA 0.069 nan 4.420 nan 0.000 0.259 149 P C -0.425 176.778 177.300 -0.162 0.000 1.163 149 P CA 1.169 64.174 63.100 -0.159 0.000 0.760 149 P CB 0.006 31.631 31.700 -0.124 0.000 0.762 150 I N 3.523 123.990 120.570 -0.171 0.000 2.533 150 I HA 0.376 4.545 4.170 -0.001 0.000 0.290 150 I C 0.007 176.034 176.117 -0.151 0.000 1.056 150 I CA -0.605 60.613 61.300 -0.137 0.000 1.057 150 I CB 1.821 39.755 38.000 -0.110 0.000 1.240 150 I HN 0.181 nan 8.210 nan 0.000 0.423 151 M N 6.663 126.197 119.600 -0.110 0.000 2.205 151 M HA 0.490 4.969 4.480 -0.001 0.000 0.344 151 M C -1.192 175.045 176.300 -0.105 0.000 1.085 151 M CA -0.797 54.447 55.300 -0.093 0.000 1.001 151 M CB 1.487 34.076 32.600 -0.018 0.000 1.626 151 M HN 0.434 nan 8.290 nan 0.000 0.442 152 L N 5.803 126.958 121.223 -0.113 0.000 2.326 152 L HA 0.486 4.825 4.340 -0.001 0.000 0.278 152 L C -0.737 176.038 176.870 -0.159 0.000 1.092 152 L CA -0.221 54.538 54.840 -0.135 0.000 0.810 152 L CB 0.925 42.918 42.059 -0.110 0.000 1.153 152 L HN 0.632 nan 8.230 nan 0.000 0.439 153 I N 2.948 123.378 120.570 -0.233 0.000 2.497 153 I HA 0.397 4.566 4.170 -0.001 0.000 0.284 153 I C 0.057 176.024 176.117 -0.250 0.000 1.060 153 I CA -0.368 60.775 61.300 -0.262 0.000 1.071 153 I CB 1.883 39.652 38.000 -0.384 0.000 1.216 153 I HN 0.590 nan 8.210 nan 0.000 0.442 154 G N 4.158 112.907 108.800 -0.086 0.000 2.461 154 G HA2 0.390 4.349 3.960 -0.001 0.000 0.323 154 G HA3 0.390 4.349 3.960 -0.001 0.000 0.323 154 G C -1.493 173.445 174.900 0.063 0.000 1.229 154 G CA -0.315 44.781 45.100 -0.008 0.000 0.941 154 G HN 0.647 nan 8.290 nan 0.000 0.477 155 H N 2.319 121.390 119.070 0.001 0.000 2.458 155 H HA 0.526 5.081 4.556 -0.002 0.000 0.330 155 H C 1.004 176.260 175.328 -0.120 0.000 1.111 155 H CA 0.365 56.300 56.048 -0.188 0.000 1.245 155 H CB 1.744 31.188 29.762 -0.530 0.000 1.456 155 H HN 0.933 nan 8.280 nan 0.000 0.488 156 A N 5.408 127.822 122.820 -0.678 0.000 5.273 156 A HA -0.418 3.901 4.320 -0.001 0.000 0.350 156 A C 2.120 179.626 177.584 -0.131 0.000 1.652 156 A CA 2.548 54.381 52.037 -0.339 0.000 0.709 156 A CB -1.747 17.091 19.000 -0.269 0.000 1.486 156 A HN 0.900 nan 8.150 nan 0.000 0.411 157 M N -0.313 119.213 119.600 -0.124 0.000 2.088 157 M HA -0.159 4.321 4.480 -0.001 0.000 0.256 157 M C 1.971 177.999 176.300 -0.453 0.000 1.071 157 M CA 3.286 58.346 55.300 -0.399 0.000 1.097 157 M CB -0.918 31.349 32.600 -0.555 0.000 1.315 157 M HN 0.998 nan 8.290 nan 0.000 0.406 158 G N -1.034 107.569 108.800 -0.328 0.000 2.479 158 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.220 158 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.220 158 G C 1.340 176.128 174.900 -0.186 0.000 1.115 158 G CA 0.894 45.828 45.100 -0.277 0.000 0.757 158 G HN 0.664 nan 8.290 nan 0.000 0.560 159 G N 1.011 109.716 108.800 -0.158 0.000 2.402 159 G HA2 0.062 4.021 3.960 -0.001 0.000 0.216 159 G HA3 0.062 4.021 3.960 -0.001 0.000 0.216 159 G C 2.005 176.846 174.900 -0.098 0.000 1.162 159 G CA 1.375 46.403 45.100 -0.120 0.000 0.777 159 G HN 0.585 nan 8.290 nan 0.000 0.539 160 A N 0.584 123.325 122.820 -0.132 0.000 1.969 160 A HA 0.113 4.432 4.320 -0.001 0.000 0.218 160 A C 2.290 179.841 177.584 -0.055 0.000 1.169 160 A CA 1.164 53.154 52.037 -0.078 0.000 0.635 160 A CB -0.187 18.683 19.000 -0.217 0.000 0.810 160 A HN 0.278 nan 8.150 nan 0.000 0.445 161 I N -0.008 120.431 120.570 -0.219 0.000 2.286 161 I HA -0.137 4.032 4.170 -0.001 0.000 0.245 161 I C 2.929 178.996 176.117 -0.084 0.000 1.104 161 I CA 1.089 62.269 61.300 -0.201 0.000 1.397 161 I CB -1.723 36.088 38.000 -0.316 0.000 1.072 161 I HN 0.329 nan 8.210 nan 0.000 0.417 162 A N 0.835 123.595 122.820 -0.099 0.000 1.917 162 A HA -0.186 4.133 4.320 -0.001 0.000 0.219 162 A C 2.602 180.173 177.584 -0.022 0.000 1.182 162 A CA 2.247 54.241 52.037 -0.072 0.000 0.633 162 A CB -1.053 17.898 19.000 -0.082 0.000 0.819 162 A HN 0.243 nan 8.150 nan 0.000 0.448 163 V N -0.480 119.446 119.914 0.021 0.000 2.244 163 V HA -0.258 3.861 4.120 -0.001 0.000 0.244 163 V C 2.362 178.460 176.094 0.006 0.000 1.042 163 V CA 2.050 64.372 62.300 0.037 0.000 1.006 163 V CB -1.096 30.777 31.823 0.084 0.000 0.641 163 V HN 0.680 nan 8.190 nan 0.000 0.446 164 H N -0.045 119.001 119.070 -0.039 0.000 2.426 164 H HA -0.163 4.393 4.556 -0.001 0.000 0.298 164 H C 2.381 177.683 175.328 -0.044 0.000 1.107 164 H CA 1.981 58.008 56.048 -0.035 0.000 1.298 164 H CB -0.151 29.586 29.762 -0.041 0.000 1.377 164 H HN 0.458 nan 8.280 nan 0.000 0.519 165 T N 0.343 114.927 114.554 0.049 0.000 2.770 165 T HA -0.013 4.336 4.350 -0.001 0.000 0.263 165 T C 2.389 177.072 174.700 -0.029 0.000 1.039 165 T CA 0.895 62.990 62.100 -0.008 0.000 1.142 165 T CB -0.298 68.544 68.868 -0.043 0.000 0.868 165 T HN 0.419 nan 8.240 nan 0.000 0.435 166 A N 1.341 124.139 122.820 -0.037 0.000 1.858 166 A HA -0.093 4.226 4.320 -0.001 0.000 0.216 166 A C 2.575 180.126 177.584 -0.055 0.000 1.190 166 A CA 2.128 54.134 52.037 -0.052 0.000 0.617 166 A CB -1.221 17.745 19.000 -0.057 0.000 0.827 166 A HN 0.439 nan 8.150 nan 0.000 0.443 167 S N -0.248 115.414 115.700 -0.062 0.000 2.365 167 S HA -0.145 4.324 4.470 -0.001 0.000 0.225 167 S C 1.977 176.546 174.600 -0.052 0.000 1.039 167 S CA 1.997 60.153 58.200 -0.073 0.000 1.033 167 S CB -0.431 62.698 63.200 -0.117 0.000 0.887 167 S HN 0.504 nan 8.310 nan 0.000 0.447 168 S N 1.270 116.948 115.700 -0.037 0.000 2.607 168 S HA 0.132 4.601 4.470 -0.001 0.000 0.224 168 S C 0.576 175.161 174.600 -0.024 0.000 0.969 168 S CA 0.337 58.524 58.200 -0.021 0.000 0.927 168 S CB -0.744 62.455 63.200 -0.002 0.000 0.772 168 S HN 0.758 nan 8.310 nan 0.000 0.533 169 N N 0.446 119.126 118.700 -0.033 0.000 2.705 169 N HA -0.166 4.574 4.740 -0.001 0.000 0.255 169 N C 0.396 175.886 175.510 -0.032 0.000 1.008 169 N CA 0.183 53.212 53.050 -0.035 0.000 0.742 169 N CB -1.260 37.208 38.487 -0.033 0.000 0.906 169 N HN 0.393 nan 8.380 nan 0.000 0.541 170 L N -1.374 119.829 121.223 -0.034 0.000 2.341 170 L HA 0.078 4.418 4.340 -0.001 0.000 0.214 170 L C 0.327 177.174 176.870 -0.039 0.000 1.115 170 L CA 0.486 55.305 54.840 -0.035 0.000 0.820 170 L CB 0.194 42.231 42.059 -0.037 0.000 0.944 170 L HN 0.088 nan 8.230 nan 0.000 0.452 171 V N 1.687 121.574 119.914 -0.044 0.000 2.318 171 V HA 0.179 4.298 4.120 -0.001 0.000 0.271 171 V C -1.405 174.660 176.094 -0.048 0.000 1.030 171 V CA -0.949 61.324 62.300 -0.045 0.000 0.844 171 V CB 1.000 32.789 31.823 -0.056 0.000 1.015 171 V HN 0.048 nan 8.190 nan 0.000 0.460 172 P HA 0.022 nan 4.420 nan 0.000 0.245 172 P C 0.834 178.100 177.300 -0.056 0.000 1.212 172 P CA 0.533 63.608 63.100 -0.042 0.000 0.774 172 P CB 0.444 32.126 31.700 -0.030 0.000 0.999 173 S N -1.957 113.699 115.700 -0.074 0.000 2.666 173 S HA 0.153 4.622 4.470 -0.001 0.000 0.239 173 S C 0.465 174.987 174.600 -0.129 0.000 1.031 173 S CA -0.470 57.670 58.200 -0.099 0.000 1.015 173 S CB -0.824 62.308 63.200 -0.114 0.000 0.981 173 S HN -0.007 nan 8.310 nan 0.000 0.547 174 L N 3.015 124.168 121.223 -0.117 0.000 2.628 174 L HA 0.162 4.501 4.340 -0.001 0.000 0.274 174 L C 0.470 177.231 176.870 -0.182 0.000 1.209 174 L CA 0.213 54.970 54.840 -0.139 0.000 0.930 174 L CB 0.336 42.332 42.059 -0.104 0.000 1.183 174 L HN 0.402 nan 8.230 nan 0.000 0.492 175 L N 3.497 124.546 121.223 -0.290 0.000 2.701 175 L HA 0.692 5.031 4.340 -0.001 0.000 0.238 175 L C 0.746 177.369 176.870 -0.412 0.000 1.106 175 L CA 0.454 55.017 54.840 -0.462 0.000 0.898 175 L CB -0.710 40.825 42.059 -0.873 0.000 1.188 175 L HN 0.580 nan 8.230 nan 0.000 0.508 176 G N -0.092 108.581 108.800 -0.212 0.000 2.660 176 G HA2 0.647 4.607 3.960 -0.001 0.000 0.290 176 G HA3 0.647 4.607 3.960 -0.001 0.000 0.290 176 G C -2.440 172.444 174.900 -0.026 0.000 1.432 176 G CA -0.577 44.542 45.100 0.031 0.000 0.807 176 G HN 0.007 nan 8.290 nan 0.000 0.485 177 L N 0.069 121.276 121.223 -0.027 0.000 2.493 177 L HA 0.771 5.110 4.340 -0.001 0.000 0.265 177 L C -1.161 175.662 176.870 -0.077 0.000 0.954 177 L CA -0.591 54.213 54.840 -0.059 0.000 0.844 177 L CB 1.826 43.863 42.059 -0.037 0.000 1.302 177 L HN 0.799 nan 8.230 nan 0.000 0.405 178 C N 6.141 125.384 119.300 -0.094 0.000 2.396 178 C HA 0.757 5.216 4.460 -0.001 0.000 0.321 178 C C -0.392 174.563 174.990 -0.058 0.000 1.233 178 C CA -0.641 58.316 59.018 -0.101 0.000 1.440 178 C CB 0.834 28.464 27.740 -0.184 0.000 2.110 178 C HN 0.963 nan 8.230 nan 0.000 0.473 179 M N 6.787 126.347 119.600 -0.065 0.000 2.167 179 M HA 0.600 5.079 4.480 -0.001 0.000 0.333 179 M C -1.133 175.079 176.300 -0.146 0.000 1.030 179 M CA -0.263 54.952 55.300 -0.142 0.000 0.963 179 M CB 0.871 33.280 32.600 -0.317 0.000 1.589 179 M HN 0.611 nan 8.290 nan 0.000 0.431 180 I N 4.380 124.879 120.570 -0.118 0.000 2.330 180 I HA 0.190 4.359 4.170 -0.001 0.000 0.289 180 I C -0.029 175.985 176.117 -0.172 0.000 1.001 180 I CA -0.258 60.983 61.300 -0.098 0.000 1.193 180 I CB 1.220 39.202 38.000 -0.031 0.000 1.345 180 I HN 0.804 nan 8.210 nan 0.000 0.461 181 D N 4.376 124.690 120.400 -0.143 0.000 2.772 181 D HA -0.155 4.485 4.640 -0.001 0.000 0.233 181 D C -0.964 175.264 176.300 -0.120 0.000 1.143 181 D CA 0.802 54.719 54.000 -0.139 0.000 0.700 181 D CB -0.332 40.353 40.800 -0.192 0.000 1.076 181 D HN 0.193 nan 8.370 nan 0.000 0.430 182 V N -1.098 118.730 119.914 -0.142 0.000 2.531 182 V HA 0.765 4.884 4.120 -0.001 0.000 0.301 182 V C 0.311 176.324 176.094 -0.135 0.000 1.034 182 V CA -0.938 61.302 62.300 -0.101 0.000 0.865 182 V CB 2.286 34.087 31.823 -0.035 0.000 0.995 182 V HN -0.051 nan 8.190 nan 0.000 0.424 183 V N 2.764 122.610 119.914 -0.114 0.000 2.760 183 V HA 0.364 4.483 4.120 -0.001 0.000 0.309 183 V C 1.101 177.153 176.094 -0.070 0.000 1.077 183 V CA -0.272 61.964 62.300 -0.107 0.000 0.910 183 V CB 1.953 33.719 31.823 -0.095 0.000 1.008 183 V HN 1.028 nan 8.190 nan 0.000 0.424 184 E N 3.710 123.904 120.200 -0.010 0.000 2.021 184 E HA -0.224 4.125 4.350 -0.001 0.000 0.200 184 E C 1.956 178.553 176.600 -0.005 0.000 1.015 184 E CA 2.357 58.786 56.400 0.048 0.000 0.824 184 E CB -0.321 29.431 29.700 0.088 0.000 0.762 184 E HN 0.957 nan 8.360 nan 0.000 0.454 185 G N -0.293 108.506 108.800 -0.003 0.000 2.469 185 G HA2 -0.367 3.592 3.960 -0.001 0.000 0.219 185 G HA3 -0.367 3.592 3.960 -0.001 0.000 0.219 185 G C 1.755 176.629 174.900 -0.044 0.000 1.150 185 G CA 2.018 47.113 45.100 -0.008 0.000 0.763 185 G HN 0.541 nan 8.290 nan 0.000 0.561 186 T N -1.116 113.395 114.554 -0.072 0.000 2.896 186 T HA 0.329 4.678 4.350 -0.001 0.000 0.263 186 T C 2.587 177.182 174.700 -0.175 0.000 1.050 186 T CA 1.469 63.509 62.100 -0.100 0.000 1.140 186 T CB -0.282 68.532 68.868 -0.089 0.000 0.877 186 T HN 0.336 nan 8.240 nan 0.000 0.457 187 A N 1.417 124.076 122.820 -0.269 0.000 1.902 187 A HA 0.096 4.415 4.320 -0.001 0.000 0.217 187 A C 2.368 179.702 177.584 -0.416 0.000 1.181 187 A CA 1.803 53.523 52.037 -0.529 0.000 0.623 187 A CB -0.824 17.584 19.000 -0.988 0.000 0.818 187 A HN 0.446 nan 8.150 nan 0.000 0.443 188 M N -0.236 119.241 119.600 -0.205 0.000 2.159 188 M HA -0.111 4.368 4.480 -0.001 0.000 0.263 188 M C 1.158 177.434 176.300 -0.040 0.000 1.063 188 M CA 1.522 56.792 55.300 -0.049 0.000 1.110 188 M CB -0.294 32.323 32.600 0.028 0.000 1.374 188 M HN 0.309 nan 8.290 nan 0.000 0.411 189 D N -0.590 119.773 120.400 -0.061 0.000 2.310 189 D HA 0.005 4.644 4.640 -0.001 0.000 0.212 189 D C 1.470 177.738 176.300 -0.052 0.000 0.965 189 D CA 1.227 55.201 54.000 -0.043 0.000 0.879 189 D CB 0.127 40.901 40.800 -0.043 0.000 0.921 189 D HN 0.435 nan 8.370 nan 0.000 0.510 190 A N -0.257 122.505 122.820 -0.097 0.000 2.252 190 A HA 0.140 4.459 4.320 -0.001 0.000 0.213 190 A C 2.178 179.734 177.584 -0.047 0.000 1.188 190 A CA -0.215 51.762 52.037 -0.100 0.000 0.863 190 A CB -0.115 18.775 19.000 -0.183 0.000 0.893 190 A HN 0.121 nan 8.150 nan 0.000 0.495 191 L N 0.285 121.507 121.223 -0.002 0.000 1.991 191 L HA -0.341 3.998 4.340 -0.001 0.000 0.221 191 L C 2.331 179.329 176.870 0.213 0.000 1.079 191 L CA 2.017 56.948 54.840 0.153 0.000 0.778 191 L CB -0.803 41.381 42.059 0.207 0.000 0.893 191 L HN 0.524 nan 8.230 nan 0.000 0.437 192 N N -0.463 118.311 118.700 0.123 0.000 2.166 192 N HA -0.167 4.572 4.740 -0.001 0.000 0.186 192 N C 2.032 177.606 175.510 0.107 0.000 1.019 192 N CA 1.760 54.873 53.050 0.106 0.000 0.856 192 N CB -0.120 38.401 38.487 0.058 0.000 0.993 192 N HN 0.439 nan 8.380 nan 0.000 0.426 193 S N 1.721 117.466 115.700 0.075 0.000 2.406 193 S HA -0.084 4.385 4.470 -0.001 0.000 0.228 193 S C 2.100 176.765 174.600 0.108 0.000 1.020 193 S CA 0.690 58.931 58.200 0.068 0.000 0.965 193 S CB -0.288 62.925 63.200 0.022 0.000 0.798 193 S HN 0.341 nan 8.310 nan 0.000 0.488 194 M N -0.464 119.197 119.600 0.101 0.000 2.506 194 M HA 0.158 4.637 4.480 -0.001 0.000 0.260 194 M C 2.323 178.811 176.300 0.314 0.000 1.104 194 M CA 0.743 56.128 55.300 0.141 0.000 1.112 194 M CB -0.559 32.003 32.600 -0.063 0.000 1.401 194 M HN 0.188 nan 8.290 nan 0.000 0.473 195 Q N 1.777 121.791 119.800 0.356 0.000 2.084 195 Q HA -0.125 4.214 4.340 -0.001 0.000 0.202 195 Q C 1.544 177.652 176.000 0.180 0.000 0.978 195 Q CA 1.709 57.699 55.803 0.311 0.000 0.844 195 Q CB -0.195 28.662 28.738 0.199 0.000 0.898 195 Q HN 0.626 nan 8.270 nan 0.000 0.426 196 N N 0.245 119.037 118.700 0.154 0.000 2.120 196 N HA -0.146 4.593 4.740 -0.001 0.000 0.188 196 N C 1.472 177.059 175.510 0.129 0.000 1.024 196 N CA 0.911 54.029 53.050 0.113 0.000 0.852 196 N CB -0.691 37.856 38.487 0.101 0.000 1.003 196 N HN 0.209 nan 8.380 nan 0.000 0.424 197 F N 1.763 121.749 119.950 0.060 0.000 2.069 197 F HA -0.119 4.407 4.527 -0.001 0.000 0.298 197 F C 2.002 177.843 175.800 0.069 0.000 1.113 197 F CA 1.267 59.306 58.000 0.064 0.000 1.214 197 F CB -0.520 38.508 39.000 0.047 0.000 0.978 197 F HN -0.044 nan 8.300 nan 0.000 0.474 198 L N 0.786 121.959 121.223 -0.082 0.000 1.989 198 L HA -0.233 4.106 4.340 -0.001 0.000 0.211 198 L C 2.429 179.157 176.870 -0.236 0.000 1.071 198 L CA 2.015 56.720 54.840 -0.225 0.000 0.749 198 L CB -0.820 41.274 42.059 0.058 0.000 0.890 198 L HN 0.229 nan 8.230 nan 0.000 0.431 199 R N 0.146 120.585 120.500 -0.102 0.000 2.340 199 R HA 0.054 4.393 4.340 -0.001 0.000 0.215 199 R C 1.365 177.611 176.300 -0.091 0.000 1.017 199 R CA 0.652 56.700 56.100 -0.086 0.000 1.111 199 R CB -0.381 29.893 30.300 -0.043 0.000 1.049 199 R HN 0.264 nan 8.270 nan 0.000 0.490 200 G N 0.666 109.378 108.800 -0.147 0.000 2.743 200 G HA2 0.038 3.997 3.960 -0.001 0.000 0.206 200 G HA3 0.038 3.997 3.960 -0.001 0.000 0.206 200 G C 0.362 175.178 174.900 -0.139 0.000 1.115 200 G CA -0.557 44.478 45.100 -0.109 0.000 0.782 200 G HN 0.114 nan 8.290 nan 0.000 0.524 201 R N 1.060 121.387 120.500 -0.288 0.000 2.740 201 R HA 0.121 4.460 4.340 -0.001 0.000 0.263 201 R C -2.282 173.936 176.300 -0.137 0.000 0.997 201 R CA -0.870 55.103 56.100 -0.211 0.000 1.108 201 R CB -0.280 29.829 30.300 -0.318 0.000 0.969 201 R HN 0.108 nan 8.270 nan 0.000 0.431 202 P HA -0.006 nan 4.420 nan 0.000 0.267 202 P C -0.091 177.014 177.300 -0.326 0.000 1.200 202 P CA 0.160 63.019 63.100 -0.402 0.000 0.772 202 P CB 0.588 31.798 31.700 -0.817 0.000 0.855 203 K N 0.153 120.374 120.400 -0.298 0.000 2.116 203 K HA 0.029 4.348 4.320 -0.001 0.000 0.203 203 K C 0.937 177.298 176.600 -0.398 0.000 1.052 203 K CA 1.210 57.382 56.287 -0.192 0.000 0.952 203 K CB -0.059 32.363 32.500 -0.130 0.000 0.729 203 K HN 0.660 nan 8.250 nan 0.000 0.446 204 T N -2.191 112.016 114.554 -0.580 0.000 2.865 204 T HA 0.588 4.937 4.350 -0.001 0.000 0.294 204 T C -0.890 173.284 174.700 -0.876 0.000 1.119 204 T CA -0.920 60.829 62.100 -0.586 0.000 1.007 204 T CB 1.322 70.027 68.868 -0.271 0.000 1.225 204 T HN -0.149 nan 8.240 nan 0.000 0.515 205 F N 0.520 120.314 119.950 -0.259 0.000 2.529 205 F HA 0.553 5.079 4.527 -0.002 0.000 0.320 205 F C 1.426 177.155 175.800 -0.118 0.000 1.118 205 F CA -1.255 56.602 58.000 -0.239 0.000 0.915 205 F CB 2.328 41.123 39.000 -0.342 0.000 1.161 205 F HN 0.617 nan 8.300 nan 0.000 0.445 206 K N 0.790 121.237 120.400 0.079 0.000 2.063 206 K HA -0.074 4.245 4.320 -0.001 0.000 0.208 206 K C 0.353 176.980 176.600 0.045 0.000 1.048 206 K CA 1.569 57.886 56.287 0.050 0.000 0.928 206 K CB -0.008 32.506 32.500 0.023 0.000 0.713 206 K HN 0.662 nan 8.250 nan 0.000 0.442 207 S N -1.498 114.144 115.700 -0.096 0.000 2.596 207 S HA 0.192 4.661 4.470 -0.001 0.000 0.270 207 S C 0.299 174.480 174.600 -0.700 0.000 1.155 207 S CA -0.948 57.043 58.200 -0.348 0.000 0.827 207 S CB 1.209 64.318 63.200 -0.151 0.000 1.130 207 S HN -0.038 nan 8.310 nan 0.000 0.467 208 L N 1.416 121.963 121.223 -1.127 0.000 2.129 208 L HA -0.004 4.335 4.340 -0.001 0.000 0.212 208 L C 2.235 178.874 176.870 -0.385 0.000 1.087 208 L CA 2.146 56.507 54.840 -0.798 0.000 0.757 208 L CB -1.348 40.422 42.059 -0.482 0.000 0.896 208 L HN 0.917 nan 8.230 nan 0.000 0.434 209 E N -0.298 119.754 120.200 -0.247 0.000 2.058 209 E HA -0.204 4.145 4.350 -0.001 0.000 0.194 209 E C 2.000 178.501 176.600 -0.165 0.000 0.997 209 E CA 1.815 58.153 56.400 -0.104 0.000 0.801 209 E CB -0.356 29.334 29.700 -0.016 0.000 0.746 209 E HN 0.646 nan 8.360 nan 0.000 0.450 210 N N -0.086 118.490 118.700 -0.206 0.000 2.223 210 N HA -0.140 4.599 4.740 -0.001 0.000 0.185 210 N C 1.724 177.031 175.510 -0.338 0.000 1.016 210 N CA 0.710 53.647 53.050 -0.188 0.000 0.863 210 N CB -0.116 38.342 38.487 -0.048 0.000 0.983 210 N HN 0.141 nan 8.380 nan 0.000 0.429 211 A N 1.465 123.880 122.820 -0.675 0.000 1.877 211 A HA -0.105 4.214 4.320 -0.001 0.000 0.216 211 A C 2.145 179.479 177.584 -0.417 0.000 1.186 211 A CA 1.004 52.345 52.037 -1.160 0.000 0.620 211 A CB -0.627 17.655 19.000 -1.196 0.000 0.822 211 A HN 0.163 nan 8.150 nan 0.000 0.443 212 I N -0.641 119.776 120.570 -0.254 0.000 2.163 212 I HA -0.287 3.883 4.170 -0.001 0.000 0.243 212 I C 2.601 178.653 176.117 -0.108 0.000 1.085 212 I CA 1.921 63.173 61.300 -0.079 0.000 1.347 212 I CB -0.293 37.718 38.000 0.020 0.000 1.044 212 I HN 0.539 nan 8.210 nan 0.000 0.408 213 E N 0.227 120.233 120.200 -0.323 0.000 2.051 213 E HA -0.307 4.043 4.350 -0.001 0.000 0.192 213 E C 2.119 178.540 176.600 -0.297 0.000 0.991 213 E CA 1.706 57.673 56.400 -0.722 0.000 0.799 213 E CB -0.279 28.816 29.700 -1.008 0.000 0.748 213 E HN 0.519 nan 8.360 nan 0.000 0.449 214 W N 1.576 122.713 121.300 -0.271 0.000 2.342 214 W HA -0.228 4.431 4.660 -0.001 0.000 0.297 214 W C 2.463 178.980 176.519 -0.003 0.000 1.213 214 W CA 2.488 59.787 57.345 -0.076 0.000 1.251 214 W CB -0.410 29.097 29.460 0.079 0.000 1.136 214 W HN 0.166 nan 8.180 nan 0.000 0.526 215 S N -0.427 115.214 115.700 -0.099 0.000 2.383 215 S HA -0.196 4.273 4.470 -0.001 0.000 0.227 215 S C 1.701 176.137 174.600 -0.274 0.000 1.026 215 S CA 1.602 59.639 58.200 -0.271 0.000 0.981 215 S CB -1.017 62.209 63.200 0.043 0.000 0.818 215 S HN 0.141 nan 8.310 nan 0.000 0.472 216 V N 2.093 121.909 119.914 -0.163 0.000 2.346 216 V HA -0.034 4.085 4.120 -0.001 0.000 0.244 216 V C 2.691 178.697 176.094 -0.146 0.000 1.037 216 V CA 1.685 63.923 62.300 -0.103 0.000 1.029 216 V CB -0.642 31.195 31.823 0.025 0.000 0.663 216 V HN 0.437 nan 8.190 nan 0.000 0.454 217 K N 0.925 121.216 120.400 -0.181 0.000 2.097 217 K HA -0.156 4.163 4.320 -0.001 0.000 0.206 217 K C 2.390 178.865 176.600 -0.208 0.000 1.049 217 K CA 1.774 57.969 56.287 -0.154 0.000 0.933 217 K CB -0.306 32.123 32.500 -0.118 0.000 0.717 217 K HN 0.621 nan 8.250 nan 0.000 0.442 218 S N -0.793 114.654 115.700 -0.422 0.000 2.428 218 S HA -0.005 4.464 4.470 -0.001 0.000 0.230 218 S C 1.490 175.936 174.600 -0.256 0.000 1.014 218 S CA 0.938 58.890 58.200 -0.413 0.000 0.957 218 S CB 0.131 62.800 63.200 -0.885 0.000 0.784 218 S HN 0.453 nan 8.310 nan 0.000 0.499 219 G N 0.843 109.491 108.800 -0.253 0.000 2.159 219 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.227 219 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.227 219 G C 0.604 175.411 174.900 -0.156 0.000 0.986 219 G CA 0.488 45.493 45.100 -0.158 0.000 0.651 219 G HN 0.567 nan 8.290 nan 0.000 0.523 220 Q N -0.353 119.320 119.800 -0.212 0.000 2.084 220 Q HA 0.096 4.435 4.340 -0.001 0.000 0.202 220 Q C 0.775 176.730 176.000 -0.074 0.000 0.978 220 Q CA 1.237 56.966 55.803 -0.122 0.000 0.844 220 Q CB -0.013 28.675 28.738 -0.083 0.000 0.898 220 Q HN 0.683 nan 8.270 nan 0.000 0.426 221 I N 0.763 121.276 120.570 -0.094 0.000 2.466 221 I HA 0.252 4.421 4.170 -0.001 0.000 0.289 221 I C 0.316 176.379 176.117 -0.089 0.000 1.026 221 I CA -0.607 60.635 61.300 -0.096 0.000 1.078 221 I CB 1.935 39.886 38.000 -0.081 0.000 1.249 221 I HN -0.001 nan 8.210 nan 0.000 0.429 222 R N 2.518 122.963 120.500 -0.091 0.000 2.317 222 R HA 0.145 4.484 4.340 -0.001 0.000 0.208 222 R C 0.072 176.338 176.300 -0.056 0.000 0.914 222 R CA -0.018 56.041 56.100 -0.067 0.000 1.060 222 R CB -0.250 30.013 30.300 -0.063 0.000 1.015 222 R HN 0.450 nan 8.270 nan 0.000 0.498 223 N N 1.194 119.853 118.700 -0.069 0.000 2.524 223 N HA 0.030 4.769 4.740 -0.001 0.000 0.261 223 N C 0.469 175.955 175.510 -0.041 0.000 0.998 223 N CA -0.302 52.713 53.050 -0.058 0.000 0.915 223 N CB 1.292 39.728 38.487 -0.084 0.000 1.187 223 N HN -0.110 nan 8.380 nan 0.000 0.507 224 L N 3.383 124.599 121.223 -0.012 0.000 2.083 224 L HA 0.025 4.364 4.340 -0.001 0.000 0.209 224 L C 1.936 178.809 176.870 0.005 0.000 1.083 224 L CA 1.843 56.693 54.840 0.017 0.000 0.752 224 L CB -0.649 41.422 42.059 0.020 0.000 0.899 224 L HN 0.788 nan 8.230 nan 0.000 0.433 225 E N -1.498 118.697 120.200 -0.009 0.000 2.085 225 E HA -0.256 4.093 4.350 -0.001 0.000 0.194 225 E C 2.221 178.799 176.600 -0.036 0.000 0.994 225 E CA 1.466 57.869 56.400 0.004 0.000 0.801 225 E CB -0.111 29.601 29.700 0.019 0.000 0.743 225 E HN 0.514 nan 8.360 nan 0.000 0.453 226 S N -0.736 114.913 115.700 -0.085 0.000 2.387 226 S HA -0.030 4.440 4.470 -0.001 0.000 0.226 226 S C 1.927 176.468 174.600 -0.098 0.000 1.026 226 S CA 0.947 59.059 58.200 -0.147 0.000 0.972 226 S CB -0.159 62.926 63.200 -0.190 0.000 0.814 226 S HN 0.429 nan 8.310 nan 0.000 0.477 227 A N 1.600 124.390 122.820 -0.050 0.000 1.902 227 A HA -0.045 4.274 4.320 -0.001 0.000 0.217 227 A C 2.140 179.738 177.584 0.023 0.000 1.181 227 A CA 1.410 53.444 52.037 -0.005 0.000 0.623 227 A CB -0.562 18.450 19.000 0.020 0.000 0.818 227 A HN 0.572 nan 8.150 nan 0.000 0.443 228 R N -1.248 119.272 120.500 0.034 0.000 2.193 228 R HA -0.041 4.298 4.340 -0.001 0.000 0.229 228 R C 1.830 178.167 176.300 0.062 0.000 1.110 228 R CA 1.273 57.407 56.100 0.056 0.000 0.988 228 R CB -0.258 30.079 30.300 0.061 0.000 0.871 228 R HN 0.450 nan 8.270 nan 0.000 0.458 229 V N -0.499 119.439 119.914 0.040 0.000 3.212 229 V HA -0.024 4.095 4.120 -0.001 0.000 0.244 229 V C 1.804 177.931 176.094 0.056 0.000 1.151 229 V CA 1.385 63.723 62.300 0.064 0.000 1.119 229 V CB 0.619 32.461 31.823 0.033 0.000 0.838 229 V HN 0.371 nan 8.190 nan 0.000 0.470 230 S N -0.662 115.048 115.700 0.016 0.000 2.446 230 S HA -0.056 4.413 4.470 -0.001 0.000 0.225 230 S C 2.002 176.658 174.600 0.094 0.000 1.016 230 S CA 0.968 59.189 58.200 0.036 0.000 0.943 230 S CB -0.280 62.906 63.200 -0.022 0.000 0.786 230 S HN 0.396 nan 8.310 nan 0.000 0.508 231 M N 2.629 122.282 119.600 0.087 0.000 2.460 231 M HA 0.050 4.529 4.480 -0.001 0.000 0.263 231 M C 2.052 178.412 176.300 0.101 0.000 1.071 231 M CA 0.945 56.308 55.300 0.105 0.000 1.096 231 M CB -0.737 31.893 32.600 0.051 0.000 1.408 231 M HN 0.515 nan 8.290 nan 0.000 0.463 232 V N -2.805 117.172 119.914 0.105 0.000 2.970 232 V HA 0.088 4.207 4.120 -0.001 0.000 0.260 232 V C 1.856 178.040 176.094 0.149 0.000 1.100 232 V CA 1.701 64.081 62.300 0.133 0.000 1.122 232 V CB -1.612 30.302 31.823 0.152 0.000 0.721 232 V HN 0.416 nan 8.190 nan 0.000 0.483 233 G N -0.970 107.914 108.800 0.140 0.000 2.985 233 G HA2 0.061 4.020 3.960 -0.001 0.000 0.209 233 G HA3 0.061 4.020 3.960 -0.001 0.000 0.209 233 G C 1.363 176.361 174.900 0.163 0.000 1.165 233 G CA 0.352 45.534 45.100 0.135 0.000 0.776 233 G HN 0.552 nan 8.290 nan 0.000 0.541 234 Q N -0.587 119.334 119.800 0.202 0.000 2.339 234 Q HA 0.181 4.520 4.340 -0.001 0.000 0.205 234 Q C 0.551 176.755 176.000 0.340 0.000 0.925 234 Q CA 0.414 56.392 55.803 0.293 0.000 0.898 234 Q CB 0.903 29.869 28.738 0.380 0.000 1.013 234 Q HN 0.443 nan 8.270 nan 0.000 0.504 235 V N -1.339 118.705 119.914 0.217 0.000 2.962 235 V HA 0.571 4.690 4.120 -0.001 0.000 0.313 235 V C -0.729 175.459 176.094 0.156 0.000 1.099 235 V CA -1.166 61.235 62.300 0.169 0.000 0.971 235 V CB 1.980 33.848 31.823 0.074 0.000 1.028 235 V HN 0.109 nan 8.190 nan 0.000 0.430 236 K N 2.069 122.525 120.400 0.094 0.000 2.279 236 K HA 0.931 5.250 4.320 -0.001 0.000 0.238 236 K C -0.965 175.540 176.600 -0.159 0.000 1.084 236 K CA -0.856 55.431 56.287 0.001 0.000 0.885 236 K CB 2.110 34.612 32.500 0.003 0.000 1.319 236 K HN 0.973 nan 8.250 nan 0.000 0.494 237 Q N -0.496 119.136 119.800 -0.281 0.000 2.522 237 Q HA 0.527 4.866 4.340 -0.001 0.000 0.285 237 Q C -1.776 174.061 176.000 -0.271 0.000 0.982 237 Q CA -0.663 54.861 55.803 -0.465 0.000 0.805 237 Q CB 1.982 29.990 28.738 -1.217 0.000 1.457 237 Q HN 0.823 nan 8.270 nan 0.000 0.394 284 P HA 0.182 nan 4.420 nan 0.000 0.277 284 P C -0.763 176.549 177.300 0.019 0.000 1.276 284 P CA -0.435 62.687 63.100 0.036 0.000 0.788 284 P CB 0.253 31.964 31.700 0.018 0.000 1.114 285 Y N -0.763 119.511 120.300 -0.044 0.000 2.425 285 Y HA 0.372 4.921 4.550 -0.001 0.000 0.331 285 Y C 1.409 177.237 175.900 -0.120 0.000 1.157 285 Y CA 0.873 58.944 58.100 -0.048 0.000 1.372 285 Y CB 0.299 38.754 38.460 -0.009 0.000 1.253 285 Y HN 0.204 nan 8.280 nan 0.000 0.536 286 T N 2.421 116.966 114.554 -0.015 0.000 2.864 286 T HA 0.408 4.757 4.350 -0.001 0.000 0.289 286 T C -1.353 173.292 174.700 -0.092 0.000 1.082 286 T CA -0.839 61.178 62.100 -0.138 0.000 1.009 286 T CB 0.560 69.382 68.868 -0.075 0.000 1.234 286 T HN 0.528 nan 8.240 nan 0.000 0.526 287 W N 2.627 123.955 121.300 0.047 0.000 2.308 287 W HA 0.341 5.000 4.660 -0.001 0.000 0.324 287 W C 1.861 178.401 176.519 0.034 0.000 1.387 287 W CA -0.401 56.977 57.345 0.056 0.000 1.250 287 W CB 0.416 29.889 29.460 0.021 0.000 1.257 287 W HN 0.747 nan 8.180 nan 0.000 0.554 288 R N 2.200 122.886 120.500 0.311 0.000 2.127 288 R HA -0.063 4.276 4.340 -0.001 0.000 0.238 288 R C 0.306 176.667 176.300 0.101 0.000 1.134 288 R CA 1.121 57.318 56.100 0.162 0.000 0.975 288 R CB -0.062 30.327 30.300 0.148 0.000 0.865 288 R HN 0.587 nan 8.270 nan 0.000 0.447 289 I N 0.160 120.801 120.570 0.118 0.000 2.512 289 I HA 0.103 4.272 4.170 -0.001 0.000 0.287 289 I C -1.058 175.100 176.117 0.068 0.000 1.069 289 I CA -0.711 60.607 61.300 0.030 0.000 1.056 289 I CB 1.853 39.767 38.000 -0.144 0.000 1.229 289 I HN -0.027 nan 8.210 nan 0.000 0.429 290 E N 6.181 126.421 120.200 0.066 0.000 1.896 290 E HA -0.027 4.322 4.350 -0.001 0.000 0.276 290 E C 0.788 177.416 176.600 0.045 0.000 1.171 290 E CA -0.117 56.312 56.400 0.048 0.000 1.118 290 E CB 0.417 30.143 29.700 0.042 0.000 1.077 290 E HN 0.656 nan 8.360 nan 0.000 0.452 291 L N 3.493 124.742 121.223 0.044 0.000 2.353 291 L HA -0.094 4.245 4.340 -0.001 0.000 0.220 291 L C 1.986 178.983 176.870 0.212 0.000 1.133 291 L CA 1.704 56.642 54.840 0.163 0.000 0.798 291 L CB -0.294 41.870 42.059 0.175 0.000 0.922 291 L HN 0.568 nan 8.230 nan 0.000 0.445 292 A N -1.072 121.802 122.820 0.091 0.000 2.019 292 A HA -0.200 4.119 4.320 -0.001 0.000 0.219 292 A C 2.290 179.822 177.584 -0.087 0.000 1.164 292 A CA 1.429 53.483 52.037 0.028 0.000 0.644 292 A CB -0.409 18.581 19.000 -0.016 0.000 0.805 292 A HN 0.455 nan 8.150 nan 0.000 0.449 293 K N -0.378 120.000 120.400 -0.037 0.000 2.211 293 K HA -0.099 4.220 4.320 -0.001 0.000 0.203 293 K C 1.802 178.335 176.600 -0.112 0.000 1.050 293 K CA 1.600 57.846 56.287 -0.068 0.000 0.945 293 K CB -0.301 32.199 32.500 -0.001 0.000 0.732 293 K HN 0.704 nan 8.250 nan 0.000 0.451 294 T N -1.530 113.007 114.554 -0.028 0.000 3.148 294 T HA 0.020 4.369 4.350 -0.001 0.000 0.253 294 T C 1.437 175.786 174.700 -0.585 0.000 1.134 294 T CA 0.209 62.329 62.100 0.034 0.000 1.051 294 T CB 0.189 69.312 68.868 0.425 0.000 0.959 294 T HN 0.147 nan 8.240 nan 0.000 0.525 295 E N 2.251 121.832 120.200 -1.032 0.000 2.130 295 E HA -0.252 4.097 4.350 -0.001 0.000 0.196 295 E C 2.069 177.980 176.600 -1.148 0.000 0.998 295 E CA 1.537 56.834 56.400 -1.838 0.000 0.806 295 E CB -0.113 28.839 29.700 -1.246 0.000 0.738 295 E HN 0.871 nan 8.360 nan 0.000 0.459 296 K N -0.780 119.135 120.400 -0.808 0.000 2.280 296 K HA -0.163 4.156 4.320 -0.001 0.000 0.202 296 K C 1.158 177.318 176.600 -0.732 0.000 1.047 296 K CA 1.442 57.301 56.287 -0.714 0.000 0.942 296 K CB -0.271 31.782 32.500 -0.746 0.000 0.739 296 K HN 0.170 nan 8.250 nan 0.000 0.457 297 Y N -1.134 118.870 120.300 -0.493 0.000 2.457 297 Y HA 0.123 4.672 4.550 -0.002 0.000 0.263 297 Y C 1.188 176.565 175.900 -0.871 0.000 1.164 297 Y CA -0.794 56.976 58.100 -0.550 0.000 1.274 297 Y CB -0.038 38.153 38.460 -0.449 0.000 1.097 297 Y HN 0.071 nan 8.280 nan 0.000 0.523 298 W N 0.685 121.526 121.300 -0.765 0.000 2.388 298 W HA -0.143 4.516 4.660 -0.001 0.000 0.294 298 W C 2.168 178.591 176.519 -0.161 0.000 1.212 298 W CA 0.711 57.703 57.345 -0.587 0.000 1.271 298 W CB -0.953 28.416 29.460 -0.152 0.000 1.126 298 W HN 0.182 nan 8.180 nan 0.000 0.535 299 D N -0.179 120.290 120.400 0.115 0.000 2.117 299 D HA -0.129 4.510 4.640 -0.001 0.000 0.197 299 D C 2.284 178.655 176.300 0.118 0.000 0.987 299 D CA 1.903 55.989 54.000 0.142 0.000 0.829 299 D CB -0.406 40.434 40.800 0.068 0.000 0.961 299 D HN 0.172 nan 8.370 nan 0.000 0.460 300 G N -0.369 108.457 108.800 0.044 0.000 2.470 300 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.220 300 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.220 300 G C 1.282 176.267 174.900 0.142 0.000 1.121 300 G CA 0.227 45.383 45.100 0.093 0.000 0.766 300 G HN 0.286 nan 8.290 nan 0.000 0.553 301 W N 0.489 121.689 121.300 -0.166 0.000 2.408 301 W HA 0.235 4.894 4.660 -0.002 0.000 0.311 301 W C 2.082 178.365 176.519 -0.393 0.000 1.190 301 W CA 0.278 57.340 57.345 -0.472 0.000 1.321 301 W CB -1.200 27.725 29.460 -0.892 0.000 1.143 301 W HN 0.213 nan 8.180 nan 0.000 0.501 302 F N -0.477 119.663 119.950 0.317 0.000 2.619 302 F HA 0.225 4.751 4.527 -0.002 0.000 0.293 302 F C 1.384 177.279 175.800 0.158 0.000 1.119 302 F CA -0.318 57.799 58.000 0.194 0.000 1.445 302 F CB -0.908 38.171 39.000 0.132 0.000 1.119 302 F HN -0.407 nan 8.300 nan 0.000 0.573 303 R N 0.874 121.554 120.500 0.301 0.000 2.585 303 R HA 0.231 4.570 4.340 -0.001 0.000 0.275 303 R C 1.363 177.772 176.300 0.183 0.000 1.018 303 R CA 0.977 57.204 56.100 0.212 0.000 1.072 303 R CB -0.010 30.391 30.300 0.168 0.000 0.953 303 R HN 0.476 nan 8.270 nan 0.000 0.419 304 G N 3.724 112.605 108.800 0.136 0.000 2.212 304 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.267 304 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.267 304 G C 0.518 175.474 174.900 0.094 0.000 1.002 304 G CA 0.610 45.770 45.100 0.099 0.000 0.729 304 G HN 0.604 nan 8.290 nan 0.000 0.517 305 L N 0.476 121.778 121.223 0.132 0.000 2.141 305 L HA 0.107 4.447 4.340 -0.001 0.000 0.209 305 L C 2.671 179.599 176.870 0.096 0.000 1.094 305 L CA 2.914 57.827 54.840 0.122 0.000 0.763 305 L CB -0.462 41.703 42.059 0.176 0.000 0.908 305 L HN 0.227 nan 8.230 nan 0.000 0.437 306 S N -0.200 115.550 115.700 0.082 0.000 2.338 306 S HA -0.158 4.311 4.470 -0.001 0.000 0.218 306 S C 1.760 176.437 174.600 0.127 0.000 1.032 306 S CA 1.701 59.952 58.200 0.084 0.000 0.999 306 S CB -0.585 62.654 63.200 0.064 0.000 0.905 306 S HN 0.598 nan 8.310 nan 0.000 0.439 307 N N 0.788 119.542 118.700 0.091 0.000 2.149 307 N HA -0.104 4.635 4.740 -0.001 0.000 0.188 307 N C 1.665 177.203 175.510 0.046 0.000 1.019 307 N CA 0.823 53.915 53.050 0.070 0.000 0.857 307 N CB -0.167 38.352 38.487 0.052 0.000 0.997 307 N HN 0.127 nan 8.380 nan 0.000 0.426 308 L N 0.541 121.786 121.223 0.037 0.000 2.005 308 L HA -0.097 4.242 4.340 -0.001 0.000 0.207 308 L C 1.936 178.812 176.870 0.010 0.000 1.072 308 L CA 1.430 56.263 54.840 -0.012 0.000 0.744 308 L CB -0.897 41.113 42.059 -0.080 0.000 0.895 308 L HN 0.107 nan 8.230 nan 0.000 0.433 309 F N -0.289 119.602 119.950 -0.098 0.000 2.091 309 F HA -0.260 4.266 4.527 -0.002 0.000 0.299 309 F C 2.087 177.820 175.800 -0.112 0.000 1.103 309 F CA 1.805 59.729 58.000 -0.127 0.000 1.228 309 F CB -0.379 38.514 39.000 -0.178 0.000 0.984 309 F HN 0.043 nan 8.300 nan 0.000 0.477 310 L N 0.099 121.271 121.223 -0.085 0.000 2.275 310 L HA -0.174 4.165 4.340 -0.001 0.000 0.215 310 L C 2.504 179.306 176.870 -0.115 0.000 1.119 310 L CA 1.322 56.091 54.840 -0.119 0.000 0.790 310 L CB -0.753 41.347 42.059 0.068 0.000 0.919 310 L HN 0.384 nan 8.230 nan 0.000 0.443 311 S N -2.005 113.640 115.700 -0.093 0.000 2.558 311 S HA -0.002 4.467 4.470 -0.001 0.000 0.217 311 S C 0.821 175.366 174.600 -0.093 0.000 0.975 311 S CA -0.565 57.594 58.200 -0.069 0.000 0.912 311 S CB -0.648 62.527 63.200 -0.043 0.000 0.776 311 S HN 0.316 nan 8.310 nan 0.000 0.526 312 C N 4.699 123.909 119.300 -0.150 0.000 2.520 312 C HA 0.423 4.882 4.460 -0.001 0.000 0.369 312 C C -2.012 172.904 174.990 -0.123 0.000 1.244 312 C CA -1.393 57.541 59.018 -0.139 0.000 1.677 312 C CB -0.067 27.567 27.740 -0.175 0.000 2.324 312 C HN 0.430 nan 8.230 nan 0.000 0.557 313 P HA 0.191 nan 4.420 nan 0.000 0.237 313 P C -0.253 177.034 177.300 -0.022 0.000 1.723 313 P CA 0.444 63.519 63.100 -0.041 0.000 0.882 313 P CB -0.600 31.085 31.700 -0.024 0.000 1.810 314 I N -4.672 115.877 120.570 -0.035 0.000 2.934 314 I HA 0.699 4.868 4.170 -0.001 0.000 0.306 314 I C -2.926 173.213 176.117 0.036 0.000 1.110 314 I CA -3.698 57.605 61.300 0.005 0.000 1.019 314 I CB 1.833 39.821 38.000 -0.020 0.000 1.227 314 I HN -0.374 nan 8.210 nan 0.000 0.434 315 P HA 0.124 nan 4.420 nan 0.000 0.261 315 P C -1.301 176.158 177.300 0.264 0.000 1.183 315 P CA 0.204 63.400 63.100 0.159 0.000 0.761 315 P CB 0.268 31.899 31.700 -0.115 0.000 0.785 316 K N 2.480 123.019 120.400 0.232 0.000 2.259 316 K HA 0.621 4.940 4.320 -0.001 0.000 0.252 316 K C -0.983 175.771 176.600 0.256 0.000 0.936 316 K CA -0.998 55.365 56.287 0.127 0.000 0.810 316 K CB 1.761 34.139 32.500 -0.203 0.000 1.143 316 K HN 0.217 nan 8.250 nan 0.000 0.427 317 L N 3.314 124.577 121.223 0.067 0.000 2.365 317 L HA 0.563 4.902 4.340 -0.001 0.000 0.273 317 L C -1.823 175.122 176.870 0.125 0.000 1.000 317 L CA -0.841 54.028 54.840 0.048 0.000 0.819 317 L CB 1.642 43.484 42.059 -0.361 0.000 1.284 317 L HN 0.581 nan 8.230 nan 0.000 0.418 318 L N 5.513 126.841 121.223 0.175 0.000 2.404 318 L HA 0.621 4.960 4.340 -0.001 0.000 0.272 318 L C -1.727 175.173 176.870 0.051 0.000 0.980 318 L CA -0.146 54.715 54.840 0.034 0.000 0.836 318 L CB 1.497 43.533 42.059 -0.038 0.000 1.238 318 L HN 0.549 nan 8.230 nan 0.000 0.408 319 L N 6.322 127.539 121.223 -0.010 0.000 2.313 319 L HA 0.615 4.954 4.340 -0.001 0.000 0.283 319 L C -0.849 176.012 176.870 -0.015 0.000 1.013 319 L CA -0.546 54.299 54.840 0.008 0.000 0.816 319 L CB 1.519 43.584 42.059 0.008 0.000 1.236 319 L HN 0.538 nan 8.230 nan 0.000 0.419 320 L N 1.681 122.906 121.223 0.003 0.000 2.354 320 L HA 0.586 4.925 4.340 -0.001 0.000 0.264 320 L C 0.857 177.728 176.870 0.002 0.000 1.008 320 L CA -0.568 54.268 54.840 -0.006 0.000 0.819 320 L CB 2.003 44.063 42.059 0.002 0.000 1.339 320 L HN 0.678 nan 8.230 nan 0.000 0.420 321 A N 1.187 124.006 122.820 -0.001 0.000 2.167 321 A HA 0.499 4.818 4.320 -0.001 0.000 0.214 321 A C 0.809 178.396 177.584 0.004 0.000 1.151 321 A CA 0.950 52.988 52.037 0.002 0.000 0.735 321 A CB -0.288 18.715 19.000 0.005 0.000 0.802 321 A HN 0.873 nan 8.150 nan 0.000 0.467 322 G N -2.248 106.556 108.800 0.005 0.000 2.556 322 G HA2 0.415 4.374 3.960 -0.001 0.000 0.294 322 G HA3 0.415 4.374 3.960 -0.001 0.000 0.294 322 G C 0.395 175.300 174.900 0.008 0.000 1.516 322 G CA 0.072 45.175 45.100 0.006 0.000 0.824 322 G HN 0.798 nan 8.290 nan 0.000 0.535 323 V N -0.865 119.056 119.914 0.011 0.000 2.867 323 V HA -0.055 4.064 4.120 -0.001 0.000 0.260 323 V C 2.245 178.345 176.094 0.009 0.000 1.099 323 V CA 2.439 64.748 62.300 0.015 0.000 1.122 323 V CB -0.556 31.275 31.823 0.015 0.000 0.708 323 V HN 0.793 nan 8.190 nan 0.000 0.490 324 D N 1.077 121.478 120.400 0.002 0.000 2.265 324 D HA -0.250 4.389 4.640 -0.001 0.000 0.208 324 D C 1.987 178.281 176.300 -0.012 0.000 0.977 324 D CA 1.212 55.209 54.000 -0.005 0.000 0.871 324 D CB -0.465 40.329 40.800 -0.010 0.000 0.925 324 D HN 0.412 nan 8.370 nan 0.000 0.485 325 R N 0.355 120.848 120.500 -0.012 0.000 2.148 325 R HA 0.115 4.454 4.340 -0.001 0.000 0.227 325 R C 1.055 177.343 176.300 -0.020 0.000 1.103 325 R CA -0.038 56.047 56.100 -0.025 0.000 0.983 325 R CB -1.029 29.254 30.300 -0.028 0.000 0.874 325 R HN 0.334 nan 8.270 nan 0.000 0.451 326 L N 3.140 124.365 121.223 0.003 0.000 2.490 326 L HA -0.057 4.282 4.340 -0.001 0.000 0.274 326 L C 0.633 177.512 176.870 0.015 0.000 1.201 326 L CA -0.085 54.768 54.840 0.022 0.000 0.869 326 L CB 0.160 42.249 42.059 0.049 0.000 1.123 326 L HN 0.159 nan 8.230 nan 0.000 0.484 327 D N 1.703 122.117 120.400 0.022 0.000 2.549 327 D HA 0.151 4.790 4.640 -0.001 0.000 0.270 327 D C 0.661 176.988 176.300 0.044 0.000 1.181 327 D CA -0.806 53.208 54.000 0.024 0.000 1.070 327 D CB 0.803 41.613 40.800 0.017 0.000 1.154 327 D HN 0.310 nan 8.370 nan 0.000 0.602 328 K N -0.697 119.727 120.400 0.041 0.000 2.020 328 K HA -0.198 4.121 4.320 -0.001 0.000 0.212 328 K C 1.045 177.686 176.600 0.068 0.000 1.050 328 K CA 1.798 58.114 56.287 0.048 0.000 0.929 328 K CB -0.114 32.410 32.500 0.040 0.000 0.714 328 K HN 0.360 nan 8.250 nan 0.000 0.443 329 D N 0.466 120.912 120.400 0.075 0.000 2.149 329 D HA -0.105 4.534 4.640 -0.001 0.000 0.201 329 D C 1.952 178.343 176.300 0.152 0.000 0.972 329 D CA 0.838 54.897 54.000 0.098 0.000 0.835 329 D CB 0.045 40.898 40.800 0.089 0.000 0.966 329 D HN 0.255 nan 8.370 nan 0.000 0.476 330 L N 0.601 121.922 121.223 0.163 0.000 2.240 330 L HA -0.059 4.281 4.340 -0.001 0.000 0.211 330 L C 2.312 179.366 176.870 0.306 0.000 1.106 330 L CA 0.758 55.773 54.840 0.292 0.000 0.793 330 L CB -0.377 41.803 42.059 0.202 0.000 0.927 330 L HN 0.009 nan 8.230 nan 0.000 0.446 331 T N 0.562 115.215 114.554 0.166 0.000 2.674 331 T HA -0.155 4.194 4.350 -0.001 0.000 0.265 331 T C 1.940 176.689 174.700 0.081 0.000 1.039 331 T CA 1.341 63.504 62.100 0.104 0.000 1.150 331 T CB -0.184 68.723 68.868 0.065 0.000 0.864 331 T HN 0.149 nan 8.240 nan 0.000 0.427 332 I N 1.352 121.973 120.570 0.086 0.000 2.151 332 I HA -0.176 3.993 4.170 -0.001 0.000 0.243 332 I C 2.872 179.039 176.117 0.083 0.000 1.080 332 I CA 1.487 62.829 61.300 0.070 0.000 1.339 332 I CB -0.775 37.267 38.000 0.070 0.000 1.039 332 I HN 0.332 nan 8.210 nan 0.000 0.409 333 G N 0.554 109.452 108.800 0.164 0.000 2.418 333 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.217 333 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.217 333 G C 1.540 176.467 174.900 0.044 0.000 1.158 333 G CA 1.126 46.369 45.100 0.239 0.000 0.771 333 G HN 0.545 nan 8.290 nan 0.000 0.545 334 Q N -0.655 119.070 119.800 -0.125 0.000 2.245 334 Q HA 0.149 4.488 4.340 -0.001 0.000 0.201 334 Q C 2.219 178.064 176.000 -0.258 0.000 0.955 334 Q CA 0.936 56.398 55.803 -0.567 0.000 0.870 334 Q CB -0.218 28.141 28.738 -0.632 0.000 0.945 334 Q HN 0.298 nan 8.270 nan 0.000 0.461 335 M N 0.119 119.653 119.600 -0.109 0.000 2.492 335 M HA 0.014 4.493 4.480 -0.001 0.000 0.262 335 M C 1.177 177.448 176.300 -0.048 0.000 1.090 335 M CA 1.148 56.410 55.300 -0.063 0.000 1.110 335 M CB -0.247 32.339 32.600 -0.024 0.000 1.407 335 M HN 0.424 nan 8.290 nan 0.000 0.470 336 Q N -0.247 119.528 119.800 -0.042 0.000 2.360 336 Q HA 0.219 4.558 4.340 -0.001 0.000 0.202 336 Q C 0.707 176.686 176.000 -0.034 0.000 0.915 336 Q CA 0.145 55.936 55.803 -0.020 0.000 0.943 336 Q CB 0.304 29.049 28.738 0.012 0.000 1.064 336 Q HN 0.667 nan 8.270 nan 0.000 0.511 337 G N 1.791 110.539 108.800 -0.086 0.000 2.295 337 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.287 337 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.287 337 G C 0.507 175.377 174.900 -0.049 0.000 1.055 337 G CA 0.511 45.558 45.100 -0.089 0.000 0.922 337 G HN 0.301 nan 8.290 nan 0.000 0.503 338 K N -1.324 119.046 120.400 -0.050 0.000 2.356 338 K HA 0.361 4.680 4.320 -0.001 0.000 0.195 338 K C 0.832 177.568 176.600 0.228 0.000 1.037 338 K CA 1.084 57.429 56.287 0.097 0.000 1.014 338 K CB 0.183 32.788 32.500 0.175 0.000 0.815 338 K HN 0.730 nan 8.250 nan 0.000 0.507 339 F N -2.075 117.934 119.950 0.099 0.000 2.923 339 F HA 0.400 4.927 4.527 -0.000 0.000 0.323 339 F C -1.368 174.532 175.800 0.167 0.000 1.189 339 F CA -1.428 56.656 58.000 0.140 0.000 0.930 339 F CB 0.983 40.096 39.000 0.189 0.000 1.414 339 F HN -0.410 nan 8.300 nan 0.000 0.496 340 Q N 2.000 122.070 119.800 0.451 0.000 2.282 340 Q HA 0.576 4.915 4.340 -0.001 0.000 0.260 340 Q C -1.581 174.635 176.000 0.360 0.000 0.964 340 Q CA -1.009 54.970 55.803 0.293 0.000 0.880 340 Q CB 2.082 31.021 28.738 0.335 0.000 1.286 340 Q HN 0.874 nan 8.270 nan 0.000 0.445 341 M N 3.341 123.058 119.600 0.196 0.000 2.263 341 M HA 0.365 4.844 4.480 -0.001 0.000 0.295 341 M C -1.805 174.567 176.300 0.120 0.000 1.028 341 M CA -0.596 54.821 55.300 0.195 0.000 0.921 341 M CB 1.901 34.605 32.600 0.173 0.000 1.601 341 M HN 0.546 nan 8.290 nan 0.000 0.440 342 Q N 3.308 123.173 119.800 0.107 0.000 2.337 342 Q HA 0.590 4.929 4.340 -0.001 0.000 0.266 342 Q C -1.276 174.760 176.000 0.059 0.000 1.023 342 Q CA -0.654 55.195 55.803 0.078 0.000 0.829 342 Q CB 2.754 31.540 28.738 0.081 0.000 1.306 342 Q HN 0.634 nan 8.270 nan 0.000 0.449 343 V N 3.338 123.279 119.914 0.045 0.000 2.435 343 V HA 0.448 4.567 4.120 -0.001 0.000 0.290 343 V C -0.163 175.947 176.094 0.027 0.000 1.030 343 V CA -0.572 61.747 62.300 0.032 0.000 0.881 343 V CB 1.474 33.313 31.823 0.027 0.000 0.983 343 V HN 0.575 nan 8.190 nan 0.000 0.445 344 L N 7.297 128.532 121.223 0.020 0.000 2.457 344 L HA 0.360 4.699 4.340 -0.001 0.000 0.252 344 L C -1.646 175.228 176.870 0.007 0.000 1.132 344 L CA -1.180 53.669 54.840 0.016 0.000 0.938 344 L CB 1.856 43.926 42.059 0.018 0.000 1.246 344 L HN 0.468 nan 8.230 nan 0.000 0.476 345 P HA -0.132 nan 4.420 nan 0.000 0.234 345 P C 0.604 177.902 177.300 -0.003 0.000 1.167 345 P CA 0.672 63.773 63.100 0.002 0.000 0.763 345 P CB 0.290 31.992 31.700 0.003 0.000 0.835 346 Q N -1.483 118.315 119.800 -0.003 0.000 2.444 346 Q HA 0.079 4.418 4.340 -0.001 0.000 0.206 346 Q C 0.680 176.670 176.000 -0.017 0.000 0.948 346 Q CA 0.302 56.100 55.803 -0.008 0.000 0.946 346 Q CB -0.898 27.837 28.738 -0.005 0.000 1.027 346 Q HN 0.151 nan 8.270 nan 0.000 0.513 347 C N 0.107 119.397 119.300 -0.018 0.000 2.399 347 C HA 0.849 5.308 4.460 -0.001 0.000 0.348 347 C C 1.344 176.318 174.990 -0.026 0.000 1.183 347 C CA -0.659 58.340 59.018 -0.031 0.000 2.023 347 C CB 1.102 28.820 27.740 -0.035 0.000 2.361 347 C HN 0.632 nan 8.230 nan 0.000 0.521 348 G N -0.424 108.354 108.800 -0.036 0.000 2.582 348 G HA2 0.188 4.147 3.960 -0.001 0.000 0.232 348 G HA3 0.188 4.147 3.960 -0.001 0.000 0.232 348 G C 0.695 175.606 174.900 0.018 0.000 1.458 348 G CA 0.326 45.417 45.100 -0.015 0.000 1.062 348 G HN 0.888 nan 8.290 nan 0.000 0.566 349 H N -0.335 118.704 119.070 -0.051 0.000 2.395 349 H HA 0.255 4.810 4.556 -0.002 0.000 0.299 349 H C 1.845 177.244 175.328 0.118 0.000 1.070 349 H CA 1.222 57.271 56.048 0.002 0.000 1.356 349 H CB -0.244 29.499 29.762 -0.030 0.000 1.401 349 H HN 0.392 nan 8.280 nan 0.000 0.524 350 A N 1.522 124.278 122.820 -0.107 0.000 3.056 350 A HA 0.327 4.646 4.320 -0.001 0.000 0.274 350 A C 1.792 179.150 177.584 -0.376 0.000 1.661 350 A CA 0.404 52.213 52.037 -0.379 0.000 1.363 350 A CB -0.957 17.737 19.000 -0.511 0.000 1.139 350 A HN 0.481 nan 8.150 nan 0.000 0.598 351 V N 1.303 121.116 119.914 -0.169 0.000 2.515 351 V HA -0.259 3.860 4.120 -0.001 0.000 0.250 351 V C 1.917 177.934 176.094 -0.128 0.000 1.058 351 V CA 2.634 64.869 62.300 -0.109 0.000 1.064 351 V CB -1.222 30.580 31.823 -0.035 0.000 0.675 351 V HN 0.982 nan 8.190 nan 0.000 0.461 352 H N -0.586 118.283 119.070 -0.335 0.000 2.457 352 H HA 0.094 4.649 4.556 -0.002 0.000 0.294 352 H C 2.019 177.176 175.328 -0.285 0.000 1.064 352 H CA 1.438 57.289 56.048 -0.328 0.000 1.330 352 H CB -0.272 29.109 29.762 -0.635 0.000 1.395 352 H HN 0.496 nan 8.280 nan 0.000 0.541 353 E N 0.407 120.061 120.200 -0.910 0.000 2.170 353 E HA -0.086 4.264 4.350 -0.001 0.000 0.191 353 E C 1.103 177.511 176.600 -0.320 0.000 0.981 353 E CA 0.701 56.727 56.400 -0.623 0.000 0.830 353 E CB 0.202 29.471 29.700 -0.719 0.000 0.775 353 E HN 0.607 nan 8.360 nan 0.000 0.470 354 D N 0.301 120.540 120.400 -0.268 0.000 2.213 354 D HA -0.003 4.636 4.640 -0.001 0.000 0.205 354 D C 0.467 176.713 176.300 -0.090 0.000 0.961 354 D CA 0.606 54.516 54.000 -0.151 0.000 0.853 354 D CB 0.452 41.176 40.800 -0.125 0.000 0.967 354 D HN 0.016 nan 8.370 nan 0.000 0.496 355 A N 0.735 123.513 122.820 -0.071 0.000 3.370 355 A HA 0.413 4.732 4.320 -0.001 0.000 0.295 355 A C -2.064 175.541 177.584 0.036 0.000 1.030 355 A CA -0.900 51.129 52.037 -0.014 0.000 0.883 355 A CB 0.980 19.980 19.000 -0.000 0.000 1.191 355 A HN -0.147 nan 8.150 nan 0.000 0.507 356 P HA -0.116 nan 4.420 nan 0.000 0.219 356 P C 1.121 178.508 177.300 0.145 0.000 1.150 356 P CA 0.947 64.133 63.100 0.142 0.000 0.814 356 P CB 0.408 32.158 31.700 0.082 0.000 0.787 357 D N 0.307 120.750 120.400 0.072 0.000 2.103 357 D HA -0.200 4.439 4.640 -0.001 0.000 0.190 357 D C 1.678 178.023 176.300 0.075 0.000 0.997 357 D CA 1.421 55.453 54.000 0.052 0.000 0.833 357 D CB -0.098 40.721 40.800 0.032 0.000 0.961 357 D HN 0.101 nan 8.370 nan 0.000 0.447 358 K N -0.108 120.341 120.400 0.081 0.000 2.228 358 K HA -0.000 4.319 4.320 -0.001 0.000 0.202 358 K C 2.178 178.857 176.600 0.132 0.000 1.051 358 K CA 0.144 56.484 56.287 0.087 0.000 0.960 358 K CB 0.334 32.871 32.500 0.062 0.000 0.743 358 K HN 0.081 nan 8.250 nan 0.000 0.458 359 V N 1.508 121.532 119.914 0.184 0.000 2.358 359 V HA -0.217 3.902 4.120 -0.001 0.000 0.246 359 V C 2.404 178.745 176.094 0.412 0.000 1.047 359 V CA 1.954 64.415 62.300 0.268 0.000 1.035 359 V CB -0.615 31.375 31.823 0.278 0.000 0.658 359 V HN 0.286 nan 8.190 nan 0.000 0.452 360 A N -0.474 122.568 122.820 0.370 0.000 1.883 360 A HA -0.280 4.039 4.320 -0.001 0.000 0.217 360 A C 2.315 179.979 177.584 0.132 0.000 1.186 360 A CA 2.008 54.133 52.037 0.147 0.000 0.624 360 A CB -0.560 18.378 19.000 -0.104 0.000 0.822 360 A HN 0.558 nan 8.150 nan 0.000 0.444 361 E N -0.205 120.064 120.200 0.115 0.000 2.085 361 E HA -0.188 4.162 4.350 -0.001 0.000 0.194 361 E C 2.202 178.881 176.600 0.131 0.000 0.994 361 E CA 1.180 57.639 56.400 0.099 0.000 0.801 361 E CB -0.207 29.540 29.700 0.078 0.000 0.743 361 E HN 0.547 nan 8.360 nan 0.000 0.453 362 A N 0.393 123.307 122.820 0.156 0.000 1.872 362 A HA -0.101 4.218 4.320 -0.001 0.000 0.214 362 A C 2.403 180.118 177.584 0.219 0.000 1.187 362 A CA 1.270 53.408 52.037 0.168 0.000 0.614 362 A CB -0.527 18.560 19.000 0.144 0.000 0.826 362 A HN 0.192 nan 8.150 nan 0.000 0.442 363 V N -0.045 120.007 119.914 0.230 0.000 2.515 363 V HA -0.187 3.932 4.120 -0.001 0.000 0.250 363 V C 2.983 179.257 176.094 0.299 0.000 1.058 363 V CA 1.689 64.144 62.300 0.258 0.000 1.064 363 V CB -1.221 30.783 31.823 0.302 0.000 0.675 363 V HN 0.602 nan 8.190 nan 0.000 0.461 364 A N 0.188 123.137 122.820 0.216 0.000 1.858 364 A HA -0.220 4.100 4.320 -0.001 0.000 0.216 364 A C 2.431 180.118 177.584 0.172 0.000 1.190 364 A CA 2.552 54.688 52.037 0.165 0.000 0.617 364 A CB -1.129 17.930 19.000 0.098 0.000 0.827 364 A HN 0.470 nan 8.150 nan 0.000 0.443 365 T N -0.566 114.087 114.554 0.166 0.000 2.635 365 T HA -0.196 4.153 4.350 -0.001 0.000 0.267 365 T C 1.615 176.427 174.700 0.186 0.000 1.040 365 T CA 1.713 63.898 62.100 0.141 0.000 1.156 365 T CB -0.520 68.425 68.868 0.128 0.000 0.863 365 T HN 0.458 nan 8.240 nan 0.000 0.430 366 F N 1.671 121.698 119.950 0.128 0.000 2.063 366 F HA -0.180 4.346 4.527 -0.002 0.000 0.298 366 F C 1.993 177.915 175.800 0.204 0.000 1.109 366 F CA 1.424 59.539 58.000 0.192 0.000 1.212 366 F CB -0.482 38.631 39.000 0.188 0.000 0.973 366 F HN 0.062 nan 8.300 nan 0.000 0.480 367 L N -0.090 121.346 121.223 0.355 0.000 2.017 367 L HA -0.241 4.098 4.340 -0.001 0.000 0.208 367 L C 2.472 179.367 176.870 0.041 0.000 1.073 367 L CA 1.603 56.594 54.840 0.251 0.000 0.745 367 L CB -0.707 41.541 42.059 0.314 0.000 0.894 367 L HN 0.203 nan 8.230 nan 0.000 0.432 368 I N -0.751 119.842 120.570 0.039 0.000 2.226 368 I HA -0.280 3.889 4.170 -0.001 0.000 0.245 368 I C 2.829 178.879 176.117 -0.112 0.000 1.100 368 I CA 1.129 62.418 61.300 -0.019 0.000 1.374 368 I CB -0.324 37.679 38.000 0.005 0.000 1.057 368 I HN 0.207 nan 8.210 nan 0.000 0.413 369 R N 0.129 120.540 120.500 -0.149 0.000 2.092 369 R HA -0.140 4.199 4.340 -0.001 0.000 0.231 369 R C 2.008 178.020 176.300 -0.480 0.000 1.119 369 R CA 1.276 57.215 56.100 -0.269 0.000 0.970 369 R CB -0.127 30.022 30.300 -0.252 0.000 0.864 369 R HN 0.473 nan 8.270 nan 0.000 0.440 370 H N -0.061 118.648 119.070 -0.602 0.000 2.539 370 H HA 0.148 4.703 4.556 -0.001 0.000 0.267 370 H C 0.085 174.910 175.328 -0.839 0.000 0.982 370 H CA 0.299 55.801 56.048 -0.910 0.000 1.146 370 H CB 0.359 29.124 29.762 -1.662 0.000 1.382 370 H HN 0.142 nan 8.280 nan 0.000 0.577 371 R N -0.562 119.711 120.500 -0.378 0.000 3.525 371 R HA -0.178 4.161 4.340 -0.001 0.000 0.276 371 R C -0.012 176.273 176.300 -0.025 0.000 1.116 371 R CA 0.335 56.335 56.100 -0.167 0.000 0.745 371 R CB -2.138 28.087 30.300 -0.124 0.000 1.185 371 R HN 0.158 nan 8.270 nan 0.000 0.454 372 F N -0.752 119.210 119.950 0.020 0.000 2.512 372 F HA 0.308 4.835 4.527 -0.001 0.000 0.296 372 F C 1.635 177.452 175.800 0.028 0.000 1.110 372 F CA 0.546 58.560 58.000 0.024 0.000 1.446 372 F CB 0.157 39.179 39.000 0.038 0.000 1.092 372 F HN 0.313 nan 8.300 nan 0.000 0.554 373 A N -0.918 122.021 122.820 0.199 0.000 2.552 373 A HA 0.691 5.010 4.320 -0.001 0.000 0.288 373 A C -0.787 176.840 177.584 0.072 0.000 1.193 373 A CA -0.695 51.418 52.037 0.126 0.000 0.713 373 A CB 1.353 20.434 19.000 0.135 0.000 1.305 373 A HN -0.057 nan 8.150 nan 0.000 0.424 374 E N 0.962 121.195 120.200 0.055 0.000 2.212 374 E HA 0.485 4.834 4.350 -0.001 0.000 0.268 374 E C -2.683 173.936 176.600 0.032 0.000 0.902 374 E CA -1.727 54.694 56.400 0.034 0.000 0.779 374 E CB 2.134 31.850 29.700 0.027 0.000 1.172 374 E HN 0.459 nan 8.360 nan 0.000 0.409 375 P HA 0.187 nan 4.420 nan 0.000 0.274 375 P C 0.333 177.642 177.300 0.016 0.000 1.246 375 P CA -0.484 62.628 63.100 0.020 0.000 0.795 375 P CB 0.926 32.635 31.700 0.015 0.000 1.006 376 I N 0.000 120.578 120.570 0.013 0.000 2.984 376 I HA 0.000 4.169 4.170 -0.001 0.000 0.288 376 I CA 0.000 61.306 61.300 0.009 0.000 1.566 376 I CB 0.000 38.004 38.000 0.007 0.000 1.214 376 I HN 0.000 nan 8.210 nan 0.000 0.494