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 2wvu_1_D DATA FIRST_RESID 35 DATA SEQUENCE EIPLKYGATN EGKRQDPAMQ KFRDNRLGAF IHWGLYAIPG GEWNGKVYGG DATA SEQUENCE AAEWLKSWAK VPADEWLKLM DQWNPTKFDA KKWAKMAKEM GTKYVKITTK DATA SEQUENCE HHEGFCLWPS KYTKYTVANT PYKRDILGEL VKAYNDEGID VHFYFSVMDW DATA SEQUENCE SNPDYRYDIK SKEDSIAFSR FLEFTDNQLK ELATRYPTVK DFWFDGTWDA DATA SEQUENCE SVKKNGWWTA HAEQMLKELV PGVAINSRLR ADDKGKRHFD SNGRLMGDYE DATA SEQUENCE SGYERRLPDP VKDLKVTQWD WEACMTIPEN QWGYHKDWSL SYVKTPIEVI DATA SEQUENCE DRIVHAVSMG GNMVVNFGPQ ADGDFRPEEK AMATAIGKWM NRYGKAVYAC DATA SEQUENCE DYAGFEKQDW GYYTRGKNDE VYMVVFNQPY SERLIVKTPK GITVEKATLL DATA SEQUENCE TTGEDITVVE TTRNEYNVSV PKKNPGEPYV IQLKVRA 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 35 E HA 0.000 nan 4.350 nan 0.000 0.291 35 E C 0.000 176.602 176.600 0.003 0.000 1.382 35 E CA 0.000 56.404 56.400 0.007 0.000 0.976 35 E CB 0.000 29.706 29.700 0.010 0.000 0.812 36 I N 2.266 122.838 120.570 0.003 0.000 2.353 36 I HA 0.346 4.516 4.170 -0.000 0.000 0.293 36 I C -1.985 174.127 176.117 -0.008 0.000 0.992 36 I CA -2.289 59.011 61.300 -0.000 0.000 1.268 36 I CB 1.433 39.436 38.000 0.005 0.000 1.387 36 I HN 0.412 nan 8.210 nan 0.000 0.478 37 P HA 0.259 nan 4.420 nan 0.000 0.271 37 P C -1.151 176.124 177.300 -0.042 0.000 1.220 37 P CA 0.035 63.117 63.100 -0.030 0.000 0.768 37 P CB 0.785 32.466 31.700 -0.032 0.000 0.848 38 L N 3.201 124.388 121.223 -0.061 0.000 2.408 38 L HA 0.370 4.710 4.340 -0.000 0.000 0.268 38 L C 1.399 178.166 176.870 -0.172 0.000 0.986 38 L CA -0.677 54.111 54.840 -0.086 0.000 0.820 38 L CB 2.600 44.635 42.059 -0.041 0.000 1.303 38 L HN 0.239 nan 8.230 nan 0.000 0.411 39 K N 1.335 121.530 120.400 -0.343 0.000 2.314 39 K HA 0.074 4.394 4.320 -0.000 0.000 0.198 39 K C -0.131 176.090 176.600 -0.632 0.000 1.045 39 K CA 1.030 56.944 56.287 -0.621 0.000 0.988 39 K CB 0.355 32.224 32.500 -1.051 0.000 0.783 39 K HN 0.440 nan 8.250 nan 0.000 0.484 40 Y N -0.588 119.718 120.300 0.011 0.000 2.698 40 Y HA 0.314 4.864 4.550 -0.000 0.000 0.261 40 Y C 0.701 176.578 175.900 -0.037 0.000 1.104 40 Y CA -0.942 57.154 58.100 -0.005 0.000 1.145 40 Y CB 0.465 38.943 38.460 0.029 0.000 1.191 40 Y HN -0.088 nan 8.280 nan 0.000 0.564 41 G N 0.429 109.250 108.800 0.035 0.000 2.543 41 G HA2 0.569 4.529 3.960 -0.000 0.000 0.267 41 G HA3 0.569 4.529 3.960 -0.000 0.000 0.267 41 G C -0.096 174.787 174.900 -0.029 0.000 1.406 41 G CA -0.390 44.711 45.100 0.001 0.000 1.048 41 G HN 0.363 nan 8.290 nan 0.000 0.548 42 A N -1.335 121.459 122.820 -0.044 0.000 2.520 42 A HA 0.436 4.756 4.320 -0.000 0.000 0.235 42 A C 1.377 178.930 177.584 -0.052 0.000 1.065 42 A CA 1.083 53.081 52.037 -0.065 0.000 0.764 42 A CB 0.064 19.029 19.000 -0.058 0.000 1.002 42 A HN 1.213 nan 8.150 nan 0.000 0.502 43 T N -0.781 113.735 114.554 -0.063 0.000 2.955 43 T HA 0.167 4.517 4.350 -0.000 0.000 0.251 43 T C 0.417 175.093 174.700 -0.039 0.000 1.002 43 T CA 0.282 62.351 62.100 -0.051 0.000 0.970 43 T CB -0.302 68.527 68.868 -0.065 0.000 1.091 43 T HN 0.606 nan 8.240 nan 0.000 0.495 44 N N 2.391 121.067 118.700 -0.041 0.000 2.487 44 N HA 0.289 5.029 4.740 -0.000 0.000 0.292 44 N C 0.919 176.432 175.510 0.006 0.000 1.108 44 N CA -0.793 52.247 53.050 -0.016 0.000 0.956 44 N CB 1.629 40.107 38.487 -0.015 0.000 1.176 44 N HN 0.347 nan 8.380 nan 0.000 0.484 45 E N 1.594 121.809 120.200 0.024 0.000 3.744 45 E HA -0.033 4.317 4.350 -0.000 0.000 0.519 45 E C 0.958 177.604 176.600 0.076 0.000 0.605 45 E CA 0.152 56.579 56.400 0.045 0.000 3.302 45 E CB -0.888 28.839 29.700 0.045 0.000 1.647 45 E HN 0.509 nan 8.360 nan 0.000 0.425 46 G N 0.440 109.297 108.800 0.094 0.000 2.873 46 G HA2 0.178 4.137 3.960 -0.000 0.000 0.170 46 G HA3 0.178 4.137 3.960 -0.000 0.000 0.170 46 G C -0.316 174.663 174.900 0.133 0.000 1.608 46 G CA -0.503 44.679 45.100 0.137 0.000 1.084 46 G HN 0.244 nan 8.290 nan 0.000 0.563 47 K N 0.714 121.201 120.400 0.145 0.000 2.298 47 K HA 0.235 4.555 4.320 -0.000 0.000 0.280 47 K C 0.165 176.817 176.600 0.088 0.000 1.032 47 K CA -0.030 56.338 56.287 0.136 0.000 0.958 47 K CB 1.120 33.710 32.500 0.151 0.000 0.978 47 K HN 0.225 nan 8.250 nan 0.000 0.472 48 R N 1.863 122.402 120.500 0.065 0.000 2.570 48 R HA -0.055 4.285 4.340 -0.000 0.000 0.277 48 R C 0.591 176.919 176.300 0.046 0.000 1.039 48 R CA 0.369 56.492 56.100 0.038 0.000 1.065 48 R CB 0.428 30.735 30.300 0.011 0.000 0.964 48 R HN 0.521 nan 8.270 nan 0.000 0.428 49 Q N 1.499 121.323 119.800 0.040 0.000 2.112 49 Q HA 0.048 4.388 4.340 -0.000 0.000 0.222 49 Q C -0.856 175.164 176.000 0.034 0.000 0.798 49 Q CA 0.009 55.839 55.803 0.044 0.000 1.060 49 Q CB 0.661 29.428 28.738 0.049 0.000 1.184 49 Q HN 0.736 nan 8.270 nan 0.000 0.475 50 D N -0.903 119.512 120.400 0.025 0.000 2.368 50 D HA 0.062 4.701 4.640 -0.000 0.000 0.240 50 D C -1.731 174.582 176.300 0.023 0.000 1.169 50 D CA -1.284 52.727 54.000 0.019 0.000 0.906 50 D CB 0.804 41.609 40.800 0.009 0.000 1.187 50 D HN -0.222 nan 8.370 nan 0.000 0.435 51 P HA -0.151 nan 4.420 nan 0.000 0.218 51 P C 1.168 178.485 177.300 0.028 0.000 1.149 51 P CA 1.742 64.856 63.100 0.025 0.000 0.817 51 P CB -0.039 31.673 31.700 0.019 0.000 0.785 52 A N -1.074 121.760 122.820 0.022 0.000 1.902 52 A HA -0.197 4.122 4.320 -0.000 0.000 0.217 52 A C 2.214 179.826 177.584 0.046 0.000 1.181 52 A CA 1.919 53.972 52.037 0.027 0.000 0.623 52 A CB -1.355 17.652 19.000 0.012 0.000 0.818 52 A HN 0.096 nan 8.150 nan 0.000 0.443 53 M N -0.325 119.292 119.600 0.027 0.000 2.175 53 M HA -0.110 4.369 4.480 -0.000 0.000 0.264 53 M C 2.110 178.462 176.300 0.087 0.000 1.063 53 M CA 1.605 56.922 55.300 0.027 0.000 1.119 53 M CB -0.562 32.032 32.600 -0.010 0.000 1.377 53 M HN 0.521 nan 8.290 nan 0.000 0.415 54 Q N -0.750 119.091 119.800 0.068 0.000 2.124 54 Q HA -0.243 4.097 4.340 -0.000 0.000 0.202 54 Q C 2.041 178.086 176.000 0.075 0.000 0.977 54 Q CA 1.620 57.467 55.803 0.073 0.000 0.850 54 Q CB -0.189 28.583 28.738 0.056 0.000 0.901 54 Q HN 0.298 nan 8.270 nan 0.000 0.429 55 K N 0.701 121.140 120.400 0.064 0.000 2.057 55 K HA -0.149 4.171 4.320 -0.000 0.000 0.206 55 K C 1.566 178.181 176.600 0.025 0.000 1.050 55 K CA 1.139 57.449 56.287 0.038 0.000 0.935 55 K CB -0.570 31.945 32.500 0.025 0.000 0.715 55 K HN 0.172 nan 8.250 nan 0.000 0.439 56 F N 1.271 121.153 119.950 -0.114 0.000 2.091 56 F HA -0.265 4.262 4.527 -0.000 0.000 0.299 56 F C 2.389 178.068 175.800 -0.202 0.000 1.103 56 F CA 2.131 60.004 58.000 -0.211 0.000 1.228 56 F CB -0.185 38.688 39.000 -0.213 0.000 0.984 56 F HN 0.044 nan 8.300 nan 0.000 0.477 57 R N 0.398 121.036 120.500 0.229 0.000 2.061 57 R HA -0.164 4.176 4.340 -0.000 0.000 0.230 57 R C 1.970 178.296 176.300 0.044 0.000 1.140 57 R CA 2.085 58.275 56.100 0.149 0.000 0.940 57 R CB -0.673 29.720 30.300 0.155 0.000 0.839 57 R HN 0.226 nan 8.270 nan 0.000 0.429 58 D N 0.613 121.045 120.400 0.054 0.000 2.149 58 D HA -0.165 4.475 4.640 -0.000 0.000 0.198 58 D C 1.576 177.920 176.300 0.073 0.000 0.990 58 D CA 0.957 54.995 54.000 0.064 0.000 0.839 58 D CB -0.514 40.321 40.800 0.059 0.000 0.948 58 D HN 0.264 nan 8.370 nan 0.000 0.460 59 N N 0.592 119.295 118.700 0.004 0.000 2.060 59 N HA -0.204 4.536 4.740 -0.000 0.000 0.195 59 N C 1.189 176.808 175.510 0.182 0.000 1.028 59 N CA 1.077 54.153 53.050 0.044 0.000 0.861 59 N CB 0.024 38.446 38.487 -0.109 0.000 1.029 59 N HN 0.084 nan 8.380 nan 0.000 0.428 60 R N -1.707 118.852 120.500 0.098 0.000 1.732 60 R HA -0.234 4.106 4.340 -0.000 0.000 0.091 60 R C 0.261 176.635 176.300 0.123 0.000 0.933 60 R CA 1.335 57.490 56.100 0.091 0.000 1.938 60 R CB -1.777 28.566 30.300 0.073 0.000 0.530 60 R HN 0.391 nan 8.270 nan 0.000 0.704 61 L N 1.057 122.375 121.223 0.158 0.000 2.287 61 L HA 0.701 5.041 4.340 -0.000 0.000 0.287 61 L C 0.275 177.013 176.870 -0.221 0.000 1.022 61 L CA 0.371 55.219 54.840 0.014 0.000 0.814 61 L CB 1.633 43.727 42.059 0.060 0.000 1.217 61 L HN 0.379 nan 8.230 nan 0.000 0.420 62 G N 3.125 111.580 108.800 -0.575 0.000 2.569 62 G HA2 0.826 4.786 3.960 -0.000 0.000 0.300 62 G HA3 0.826 4.786 3.960 -0.000 0.000 0.300 62 G C -1.756 172.836 174.900 -0.512 0.000 1.269 62 G CA -0.335 44.079 45.100 -1.143 0.000 0.959 62 G HN 0.919 nan 8.290 nan 0.000 0.478 63 A N -0.293 122.269 122.820 -0.429 0.000 2.337 63 A HA 0.829 5.149 4.320 -0.000 0.000 0.331 63 A C -1.541 176.017 177.584 -0.044 0.000 1.137 63 A CA -0.666 51.342 52.037 -0.047 0.000 0.807 63 A CB 1.269 20.296 19.000 0.044 0.000 1.250 63 A HN 0.619 nan 8.150 nan 0.000 0.468 64 F N 1.315 121.359 119.950 0.156 0.000 2.480 64 F HA 0.581 5.107 4.527 -0.000 0.000 0.329 64 F C -0.309 175.713 175.800 0.370 0.000 1.091 64 F CA -0.749 57.377 58.000 0.209 0.000 0.972 64 F CB 1.469 40.650 39.000 0.301 0.000 1.150 64 F HN 0.283 nan 8.300 nan 0.000 0.467 65 I N 4.409 125.387 120.570 0.681 0.000 2.382 65 I HA 0.177 4.347 4.170 -0.000 0.000 0.286 65 I C -0.917 175.581 176.117 0.636 0.000 1.002 65 I CA -0.620 61.062 61.300 0.637 0.000 1.135 65 I CB 1.219 39.554 38.000 0.559 0.000 1.288 65 I HN 0.532 nan 8.210 nan 0.000 0.448 66 H N 5.710 125.096 119.070 0.527 0.000 2.661 66 H HA 0.311 4.867 4.556 -0.000 0.000 0.290 66 H C -1.203 174.548 175.328 0.706 0.000 1.082 66 H CA -0.033 56.302 56.048 0.479 0.000 1.234 66 H CB 0.709 30.677 29.762 0.343 0.000 1.387 66 H HN 0.489 nan 8.280 nan 0.000 0.476 67 W N 3.572 125.153 121.300 0.468 0.000 2.830 67 W HA 0.586 5.245 4.660 -0.001 0.000 0.335 67 W C -0.547 176.029 176.519 0.094 0.000 1.043 67 W CA -0.712 56.849 57.345 0.360 0.000 1.239 67 W CB 1.542 31.263 29.460 0.434 0.000 1.378 67 W HN 0.674 nan 8.180 nan 0.000 0.456 68 G N 2.762 111.261 108.800 -0.502 0.000 2.634 68 G HA2 0.245 4.204 3.960 -0.000 0.000 0.309 68 G HA3 0.245 4.204 3.960 -0.000 0.000 0.309 68 G C -0.143 174.190 174.900 -0.946 0.000 1.299 68 G CA -0.722 43.883 45.100 -0.824 0.000 0.798 68 G HN 0.394 nan 8.290 nan 0.000 0.490 69 L N 0.001 120.761 121.223 -0.772 0.000 2.191 69 L HA -0.084 4.256 4.340 -0.000 0.000 0.212 69 L C 2.763 179.501 176.870 -0.221 0.000 1.103 69 L CA 1.572 56.074 54.840 -0.563 0.000 0.769 69 L CB -0.752 40.899 42.059 -0.680 0.000 0.908 69 L HN 0.710 nan 8.230 nan 0.000 0.438 70 Y N -0.467 120.023 120.300 0.316 0.000 2.283 70 Y HA -0.214 4.336 4.550 -0.000 0.000 0.285 70 Y C 2.491 178.614 175.900 0.372 0.000 1.176 70 Y CA 0.660 59.045 58.100 0.475 0.000 1.229 70 Y CB -1.374 37.378 38.460 0.486 0.000 0.975 70 Y HN 0.063 nan 8.280 nan 0.000 0.537 71 A N 1.043 124.040 122.820 0.294 0.000 2.070 71 A HA -0.076 4.244 4.320 -0.000 0.000 0.220 71 A C 2.176 179.901 177.584 0.236 0.000 1.159 71 A CA 1.664 53.939 52.037 0.397 0.000 0.656 71 A CB -1.052 18.180 19.000 0.387 0.000 0.800 71 A HN 0.614 nan 8.150 nan 0.000 0.453 72 I N 0.379 121.026 120.570 0.130 0.000 2.110 72 I HA -0.120 4.050 4.170 -0.000 0.000 0.236 72 I C -0.157 176.037 176.117 0.128 0.000 1.068 72 I CA 1.285 62.616 61.300 0.052 0.000 1.333 72 I CB -1.173 36.805 38.000 -0.037 0.000 1.054 72 I HN 0.232 nan 8.210 nan 0.000 0.402 73 P HA -0.051 nan 4.420 nan 0.000 0.223 73 P C 1.008 178.490 177.300 0.303 0.000 1.151 73 P CA 1.390 64.656 63.100 0.277 0.000 0.787 73 P CB -0.131 31.858 31.700 0.482 0.000 0.788 74 G N 0.117 109.140 108.800 0.372 0.000 2.366 74 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.299 74 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.299 74 G C 0.922 175.855 174.900 0.055 0.000 1.020 74 G CA 0.536 45.861 45.100 0.376 0.000 1.026 74 G HN 0.679 nan 8.290 nan 0.000 0.512 75 G N -1.269 107.620 108.800 0.148 0.000 2.176 75 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.253 75 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.253 75 G C 0.139 175.184 174.900 0.242 0.000 0.979 75 G CA 1.184 46.299 45.100 0.025 0.000 0.641 75 G HN 1.528 nan 8.290 nan 0.000 0.530 76 E N -0.247 120.131 120.200 0.296 0.000 2.158 76 E HA 0.501 4.851 4.350 -0.000 0.000 0.271 76 E C -1.020 175.887 176.600 0.512 0.000 0.911 76 E CA -1.273 55.350 56.400 0.373 0.000 0.767 76 E CB 0.841 30.669 29.700 0.213 0.000 1.120 76 E HN 0.278 nan 8.360 nan 0.000 0.405 77 W N 5.735 127.246 121.300 0.351 0.000 2.647 77 W HA 0.240 4.900 4.660 -0.000 0.000 0.328 77 W C -0.676 176.000 176.519 0.262 0.000 1.018 77 W CA -0.577 56.941 57.345 0.288 0.000 1.245 77 W CB 0.913 30.542 29.460 0.281 0.000 1.356 77 W HN 0.782 nan 8.180 nan 0.000 0.443 78 N N 3.174 121.727 118.700 -0.244 0.000 2.756 78 N HA -0.185 4.555 4.740 -0.000 0.000 0.248 78 N C 0.715 176.234 175.510 0.014 0.000 1.062 78 N CA 1.957 54.924 53.050 -0.138 0.000 0.696 78 N CB -1.172 37.306 38.487 -0.015 0.000 0.946 78 N HN 0.908 nan 8.380 nan 0.000 0.548 79 G N -0.658 108.152 108.800 0.018 0.000 2.187 79 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.261 79 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.261 79 G C 0.078 175.017 174.900 0.064 0.000 1.000 79 G CA 1.007 46.131 45.100 0.040 0.000 0.718 79 G HN 0.687 nan 8.290 nan 0.000 0.519 80 K N 0.347 120.819 120.400 0.120 0.000 2.307 80 K HA 0.568 4.888 4.320 -0.000 0.000 0.263 80 K C 0.136 176.793 176.600 0.095 0.000 0.973 80 K CA -0.817 55.492 56.287 0.036 0.000 0.846 80 K CB 1.461 33.924 32.500 -0.062 0.000 1.100 80 K HN -0.007 nan 8.250 nan 0.000 0.438 81 V N 5.520 125.458 119.914 0.039 0.000 2.488 81 V HA 0.155 4.275 4.120 -0.000 0.000 0.277 81 V C -0.577 175.542 176.094 0.043 0.000 1.046 81 V CA -0.337 62.045 62.300 0.138 0.000 0.986 81 V CB -0.013 31.895 31.823 0.141 0.000 0.989 81 V HN 0.611 nan 8.190 nan 0.000 0.475 82 Y N 2.455 122.882 120.300 0.211 0.000 2.323 82 Y HA 0.475 5.025 4.550 -0.000 0.000 0.331 82 Y C 1.450 177.464 175.900 0.191 0.000 1.092 82 Y CA -0.046 58.148 58.100 0.157 0.000 1.150 82 Y CB 1.682 40.261 38.460 0.198 0.000 1.200 82 Y HN 0.683 nan 8.280 nan 0.000 0.472 83 G N 2.087 110.951 108.800 0.107 0.000 2.511 83 G HA2 0.006 3.966 3.960 -0.000 0.000 0.217 83 G HA3 0.006 3.966 3.960 -0.000 0.000 0.217 83 G C 0.909 175.750 174.900 -0.098 0.000 1.133 83 G CA 0.361 45.455 45.100 -0.010 0.000 0.792 83 G HN 0.889 nan 8.290 nan 0.000 0.539 84 G N 0.064 108.684 108.800 -0.300 0.000 2.690 84 G HA2 0.433 4.392 3.960 -0.000 0.000 0.239 84 G HA3 0.433 4.392 3.960 -0.000 0.000 0.239 84 G C 0.543 175.574 174.900 0.218 0.000 1.233 84 G CA 0.158 44.966 45.100 -0.487 0.000 0.847 84 G HN 0.683 nan 8.290 nan 0.000 0.588 85 A N 0.404 123.498 122.820 0.456 0.000 2.561 85 A HA 0.444 4.764 4.320 -0.000 0.000 0.251 85 A C 1.872 179.886 177.584 0.717 0.000 1.062 85 A CA 0.809 53.170 52.037 0.540 0.000 0.761 85 A CB -0.115 19.199 19.000 0.523 0.000 0.986 85 A HN 1.838 nan 8.150 nan 0.000 0.510 86 A N 2.613 125.779 122.820 0.577 0.000 1.948 86 A HA -0.196 4.123 4.320 -0.000 0.000 0.220 86 A C 1.926 179.723 177.584 0.355 0.000 1.177 86 A CA 1.869 54.213 52.037 0.512 0.000 0.636 86 A CB -0.371 18.909 19.000 0.466 0.000 0.815 86 A HN 0.975 nan 8.150 nan 0.000 0.449 87 E N -1.564 118.696 120.200 0.101 0.000 2.409 87 E HA -0.190 4.160 4.350 -0.000 0.000 0.198 87 E C 0.893 177.413 176.600 -0.134 0.000 1.024 87 E CA 0.716 56.825 56.400 -0.484 0.000 0.861 87 E CB -0.410 28.522 29.700 -1.281 0.000 0.788 87 E HN 0.826 nan 8.360 nan 0.000 0.521 88 W N 0.641 121.910 121.300 -0.051 0.000 3.239 88 W HA 0.275 4.935 4.660 -0.000 0.000 0.348 88 W C 1.560 177.622 176.519 -0.762 0.000 1.183 88 W CA -0.624 56.561 57.345 -0.266 0.000 1.819 88 W CB 0.018 29.246 29.460 -0.387 0.000 1.091 88 W HN 0.067 nan 8.180 nan 0.000 0.629 89 L N 1.673 122.798 121.223 -0.163 0.000 2.043 89 L HA -0.245 4.094 4.340 -0.000 0.000 0.212 89 L C 2.523 179.025 176.870 -0.614 0.000 1.075 89 L CA 1.999 56.739 54.840 -0.167 0.000 0.752 89 L CB -0.635 41.545 42.059 0.203 0.000 0.891 89 L HN -0.004 nan 8.230 nan 0.000 0.432 90 K N -1.333 118.417 120.400 -1.083 0.000 2.089 90 K HA -0.253 4.067 4.320 -0.000 0.000 0.210 90 K C 2.326 178.385 176.600 -0.902 0.000 1.048 90 K CA 1.868 57.430 56.287 -1.209 0.000 0.926 90 K CB -0.305 31.258 32.500 -1.561 0.000 0.714 90 K HN 0.456 nan 8.250 nan 0.000 0.448 91 S N -0.412 114.715 115.700 -0.954 0.000 2.357 91 S HA -0.100 4.369 4.470 -0.000 0.000 0.221 91 S C 1.640 175.974 174.600 -0.444 0.000 1.031 91 S CA 1.085 58.814 58.200 -0.786 0.000 0.982 91 S CB -0.349 62.404 63.200 -0.744 0.000 0.853 91 S HN 0.535 nan 8.310 nan 0.000 0.458 92 W N 1.358 122.524 121.300 -0.223 0.000 2.338 92 W HA 0.014 4.674 4.660 -0.000 0.000 0.304 92 W C 2.444 178.728 176.519 -0.391 0.000 1.212 92 W CA 0.384 57.582 57.345 -0.245 0.000 1.264 92 W CB -0.318 28.956 29.460 -0.311 0.000 1.142 92 W HN 0.340 nan 8.180 nan 0.000 0.512 93 A N 0.135 122.720 122.820 -0.391 0.000 2.307 93 A HA 0.110 4.430 4.320 -0.000 0.000 0.218 93 A C 0.737 178.231 177.584 -0.150 0.000 1.228 93 A CA 0.057 51.910 52.037 -0.305 0.000 0.857 93 A CB -0.404 18.363 19.000 -0.389 0.000 0.897 93 A HN 0.130 nan 8.150 nan 0.000 0.495 94 K N -0.453 119.824 120.400 -0.206 0.000 3.278 94 K HA -0.133 4.186 4.320 -0.000 0.000 0.270 94 K C -0.466 176.025 176.600 -0.181 0.000 0.955 94 K CA 0.713 56.891 56.287 -0.182 0.000 0.723 94 K CB -2.769 29.694 32.500 -0.061 0.000 1.382 94 K HN 0.302 nan 8.250 nan 0.000 0.461 95 V N 1.115 120.839 119.914 -0.318 0.000 2.406 95 V HA 0.178 4.298 4.120 -0.000 0.000 0.272 95 V C -1.600 174.398 176.094 -0.161 0.000 1.043 95 V CA -1.736 60.423 62.300 -0.235 0.000 0.915 95 V CB 1.054 32.609 31.823 -0.447 0.000 0.988 95 V HN 0.150 nan 8.190 nan 0.000 0.466 96 P HA 0.092 nan 4.420 nan 0.000 0.267 96 P C 0.760 178.063 177.300 0.005 0.000 1.200 96 P CA 0.161 63.245 63.100 -0.028 0.000 0.772 96 P CB 0.725 32.441 31.700 0.027 0.000 0.855 97 A N 2.864 125.674 122.820 -0.017 0.000 1.892 97 A HA -0.266 4.053 4.320 -0.000 0.000 0.218 97 A C 1.837 179.445 177.584 0.040 0.000 1.188 97 A CA 2.168 54.210 52.037 0.009 0.000 0.631 97 A CB -1.411 17.577 19.000 -0.020 0.000 0.822 97 A HN 0.496 nan 8.150 nan 0.000 0.447 98 D N -0.838 119.593 120.400 0.052 0.000 2.126 98 D HA -0.200 4.440 4.640 -0.000 0.000 0.190 98 D C 1.930 178.289 176.300 0.098 0.000 1.001 98 D CA 1.764 55.813 54.000 0.081 0.000 0.841 98 D CB -0.313 40.537 40.800 0.085 0.000 0.949 98 D HN 0.746 nan 8.370 nan 0.000 0.446 99 E N -0.751 119.523 120.200 0.124 0.000 2.107 99 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 99 E C 2.071 178.788 176.600 0.195 0.000 0.982 99 E CA 0.406 56.912 56.400 0.178 0.000 0.809 99 E CB -0.122 29.721 29.700 0.239 0.000 0.756 99 E HN 0.411 nan 8.360 nan 0.000 0.459 100 W N 1.283 122.563 121.300 -0.035 0.000 2.355 100 W HA -0.194 4.466 4.660 -0.000 0.000 0.309 100 W C 1.592 178.072 176.519 -0.065 0.000 1.206 100 W CA 1.043 58.322 57.345 -0.110 0.000 1.284 100 W CB -0.260 29.078 29.460 -0.203 0.000 1.145 100 W HN 0.103 nan 8.180 nan 0.000 0.502 101 L N 1.111 122.332 121.223 -0.004 0.000 2.275 101 L HA -0.197 4.143 4.340 -0.000 0.000 0.215 101 L C 2.396 179.207 176.870 -0.098 0.000 1.119 101 L CA 1.173 55.944 54.840 -0.115 0.000 0.790 101 L CB -0.701 41.230 42.059 -0.213 0.000 0.919 101 L HN -0.112 nan 8.230 nan 0.000 0.443 102 K N 0.351 120.727 120.400 -0.040 0.000 2.286 102 K HA -0.173 4.146 4.320 -0.000 0.000 0.203 102 K C 1.932 178.472 176.600 -0.101 0.000 1.045 102 K CA 1.030 57.303 56.287 -0.025 0.000 0.935 102 K CB -0.324 32.191 32.500 0.025 0.000 0.737 102 K HN 0.335 nan 8.250 nan 0.000 0.460 103 L N 0.566 121.653 121.223 -0.227 0.000 2.261 103 L HA -0.181 4.158 4.340 -0.000 0.000 0.216 103 L C 2.303 179.012 176.870 -0.268 0.000 1.114 103 L CA 0.927 55.594 54.840 -0.288 0.000 0.777 103 L CB -0.454 41.288 42.059 -0.529 0.000 0.910 103 L HN 0.270 nan 8.230 nan 0.000 0.440 104 M N -0.579 118.844 119.600 -0.295 0.000 2.195 104 M HA -0.254 4.226 4.480 -0.000 0.000 0.260 104 M C 1.442 177.706 176.300 -0.060 0.000 1.066 104 M CA 1.530 56.680 55.300 -0.251 0.000 1.089 104 M CB -0.456 32.058 32.600 -0.143 0.000 1.377 104 M HN 0.181 nan 8.290 nan 0.000 0.411 105 D N 0.051 120.423 120.400 -0.046 0.000 2.310 105 D HA -0.118 4.522 4.640 -0.000 0.000 0.212 105 D C 1.499 177.794 176.300 -0.009 0.000 0.965 105 D CA 1.053 55.048 54.000 -0.009 0.000 0.879 105 D CB -0.110 40.682 40.800 -0.012 0.000 0.921 105 D HN 0.525 nan 8.370 nan 0.000 0.510 106 Q N -1.093 118.688 119.800 -0.031 0.000 2.282 106 Q HA 0.035 4.375 4.340 -0.000 0.000 0.206 106 Q C 0.248 176.224 176.000 -0.040 0.000 0.878 106 Q CA -0.377 55.401 55.803 -0.042 0.000 0.944 106 Q CB 0.650 29.346 28.738 -0.070 0.000 1.100 106 Q HN 0.312 nan 8.270 nan 0.000 0.509 107 W N 2.359 123.530 121.300 -0.216 0.000 2.585 107 W HA 0.185 4.845 4.660 -0.001 0.000 0.337 107 W C -0.504 175.928 176.519 -0.144 0.000 1.226 107 W CA 0.323 57.510 57.345 -0.265 0.000 1.463 107 W CB 0.256 29.491 29.460 -0.376 0.000 1.458 107 W HN 0.046 nan 8.180 nan 0.000 0.458 108 N N 7.356 125.747 118.700 -0.515 0.000 2.732 108 N HA 0.140 4.880 4.740 -0.000 0.000 0.230 108 N C -2.796 172.458 175.510 -0.426 0.000 1.487 108 N CA -1.160 51.731 53.050 -0.265 0.000 0.765 108 N CB 0.764 39.233 38.487 -0.029 0.000 1.384 108 N HN 0.031 nan 8.380 nan 0.000 0.530 109 P HA 0.058 nan 4.420 nan 0.000 0.252 109 P C 0.968 178.142 177.300 -0.210 0.000 1.694 109 P CA 0.030 62.774 63.100 -0.594 0.000 1.163 109 P CB 0.404 31.705 31.700 -0.664 0.000 1.934 110 T N 1.939 116.465 114.554 -0.046 0.000 2.737 110 T HA -0.158 4.192 4.350 -0.000 0.000 0.269 110 T C 1.346 176.115 174.700 0.114 0.000 1.040 110 T CA 1.457 63.614 62.100 0.094 0.000 1.142 110 T CB -0.258 68.636 68.868 0.044 0.000 0.861 110 T HN 0.291 nan 8.240 nan 0.000 0.456 111 K N -0.064 120.384 120.400 0.080 0.000 2.444 111 K HA 0.119 4.439 4.320 -0.000 0.000 0.193 111 K C 0.252 176.935 176.600 0.139 0.000 1.024 111 K CA -0.375 55.966 56.287 0.090 0.000 1.077 111 K CB -0.020 32.515 32.500 0.058 0.000 0.833 111 K HN 0.404 nan 8.250 nan 0.000 0.517 112 F N 2.986 122.938 119.950 0.004 0.000 2.543 112 F HA 0.005 4.531 4.527 -0.000 0.000 0.375 112 F C -0.117 175.636 175.800 -0.077 0.000 1.075 112 F CA -0.208 57.748 58.000 -0.074 0.000 1.225 112 F CB 0.422 39.336 39.000 -0.144 0.000 1.099 112 F HN -0.092 nan 8.300 nan 0.000 0.561 113 D N 5.238 125.082 120.400 -0.927 0.000 2.479 113 D HA 0.308 4.948 4.640 -0.000 0.000 0.246 113 D C 0.397 176.085 176.300 -1.019 0.000 1.336 113 D CA -0.024 53.520 54.000 -0.760 0.000 0.967 113 D CB 1.689 42.330 40.800 -0.264 0.000 1.275 113 D HN 0.664 nan 8.370 nan 0.000 0.577 114 A N 4.394 126.461 122.820 -1.256 0.000 1.940 114 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 114 A C 1.873 179.207 177.584 -0.418 0.000 1.176 114 A CA 1.303 52.808 52.037 -0.888 0.000 0.631 114 A CB -0.164 18.538 19.000 -0.496 0.000 0.814 114 A HN 0.595 nan 8.150 nan 0.000 0.446 115 K N -0.286 119.938 120.400 -0.293 0.000 2.147 115 K HA -0.099 4.221 4.320 -0.000 0.000 0.205 115 K C 1.969 178.516 176.600 -0.088 0.000 1.049 115 K CA 1.377 57.571 56.287 -0.156 0.000 0.936 115 K CB -0.116 32.316 32.500 -0.112 0.000 0.722 115 K HN 0.413 nan 8.250 nan 0.000 0.446 116 K N -0.391 119.967 120.400 -0.069 0.000 2.103 116 K HA -0.119 4.201 4.320 -0.000 0.000 0.204 116 K C 1.858 178.544 176.600 0.143 0.000 1.052 116 K CA 1.034 57.343 56.287 0.035 0.000 0.945 116 K CB -0.025 32.516 32.500 0.068 0.000 0.722 116 K HN 0.177 nan 8.250 nan 0.000 0.443 117 W N 1.102 122.309 121.300 -0.155 0.000 2.358 117 W HA -0.081 4.579 4.660 -0.000 0.000 0.303 117 W C 2.435 178.915 176.519 -0.065 0.000 1.208 117 W CA 1.068 58.376 57.345 -0.063 0.000 1.274 117 W CB -0.933 28.521 29.460 -0.011 0.000 1.138 117 W HN 0.098 nan 8.180 nan 0.000 0.515 118 A N 0.037 122.901 122.820 0.073 0.000 1.902 118 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 118 A C 2.053 179.690 177.584 0.089 0.000 1.181 118 A CA 1.871 53.967 52.037 0.098 0.000 0.623 118 A CB -0.707 18.252 19.000 -0.068 0.000 0.818 118 A HN 0.262 nan 8.150 nan 0.000 0.443 119 K N -1.176 119.236 120.400 0.021 0.000 2.032 119 K HA -0.181 4.139 4.320 -0.000 0.000 0.209 119 K C 2.185 178.758 176.600 -0.046 0.000 1.048 119 K CA 1.810 58.091 56.287 -0.010 0.000 0.927 119 K CB -0.275 32.212 32.500 -0.021 0.000 0.712 119 K HN 0.634 nan 8.250 nan 0.000 0.441 120 M N 0.341 119.883 119.600 -0.097 0.000 2.080 120 M HA -0.216 4.263 4.480 -0.000 0.000 0.260 120 M C 2.106 178.275 176.300 -0.218 0.000 1.068 120 M CA 1.959 57.125 55.300 -0.224 0.000 1.109 120 M CB -0.161 32.165 32.600 -0.456 0.000 1.342 120 M HN 0.172 nan 8.290 nan 0.000 0.405 121 A N 0.536 123.264 122.820 -0.153 0.000 1.883 121 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 121 A C 2.216 179.763 177.584 -0.061 0.000 1.186 121 A CA 2.141 54.108 52.037 -0.118 0.000 0.624 121 A CB -0.911 18.083 19.000 -0.011 0.000 0.822 121 A HN 0.601 nan 8.150 nan 0.000 0.444 122 K N -0.385 120.006 120.400 -0.016 0.000 2.063 122 K HA -0.200 4.120 4.320 -0.000 0.000 0.208 122 K C 1.911 178.500 176.600 -0.019 0.000 1.048 122 K CA 1.883 58.163 56.287 -0.013 0.000 0.928 122 K CB -0.187 32.312 32.500 -0.001 0.000 0.713 122 K HN 0.652 nan 8.250 nan 0.000 0.442 123 E N 0.138 120.318 120.200 -0.033 0.000 2.208 123 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 123 E C 1.844 178.440 176.600 -0.007 0.000 0.988 123 E CA 0.791 57.176 56.400 -0.024 0.000 0.828 123 E CB -0.001 29.676 29.700 -0.039 0.000 0.763 123 E HN 0.311 nan 8.360 nan 0.000 0.478 124 M N -0.668 118.917 119.600 -0.025 0.000 2.374 124 M HA -0.035 4.445 4.480 -0.000 0.000 0.264 124 M C 1.014 177.355 176.300 0.069 0.000 1.067 124 M CA 1.530 56.839 55.300 0.014 0.000 1.103 124 M CB 0.302 32.891 32.600 -0.019 0.000 1.402 124 M HN 0.246 nan 8.290 nan 0.000 0.444 125 G N 1.014 109.852 108.800 0.064 0.000 2.141 125 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.242 125 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.242 125 G C 0.202 175.193 174.900 0.151 0.000 0.982 125 G CA 0.477 45.664 45.100 0.144 0.000 0.662 125 G HN 0.685 nan 8.290 nan 0.000 0.527 126 T N -1.875 112.701 114.554 0.037 0.000 2.918 126 T HA 0.601 4.951 4.350 -0.000 0.000 0.302 126 T C 1.096 175.769 174.700 -0.045 0.000 1.045 126 T CA 0.289 62.371 62.100 -0.030 0.000 1.114 126 T CB 1.622 70.403 68.868 -0.145 0.000 0.965 126 T HN 0.018 nan 8.240 nan 0.000 0.540 127 K N 1.342 121.728 120.400 -0.025 0.000 2.360 127 K HA 0.188 4.508 4.320 -0.000 0.000 0.196 127 K C -0.258 176.368 176.600 0.043 0.000 1.049 127 K CA 0.219 56.509 56.287 0.005 0.000 1.049 127 K CB 0.197 32.730 32.500 0.055 0.000 0.881 127 K HN 0.917 nan 8.250 nan 0.000 0.542 128 Y N -3.430 116.702 120.300 -0.280 0.000 2.624 128 Y HA 0.596 5.146 4.550 -0.000 0.000 0.334 128 Y C -1.055 174.549 175.900 -0.494 0.000 1.155 128 Y CA -1.510 56.328 58.100 -0.436 0.000 1.046 128 Y CB 1.132 39.198 38.460 -0.656 0.000 1.316 128 Y HN -0.340 nan 8.280 nan 0.000 0.457 129 V N 2.449 122.052 119.914 -0.518 0.000 2.588 129 V HA 0.437 4.557 4.120 -0.000 0.000 0.304 129 V C -0.898 174.945 176.094 -0.417 0.000 1.042 129 V CA -1.258 60.697 62.300 -0.575 0.000 0.877 129 V CB 1.946 33.256 31.823 -0.855 0.000 0.996 129 V HN 0.733 nan 8.190 nan 0.000 0.425 130 K N 5.434 125.552 120.400 -0.470 0.000 2.213 130 K HA 0.710 5.030 4.320 -0.000 0.000 0.270 130 K C -1.155 175.282 176.600 -0.273 0.000 1.002 130 K CA -0.391 55.595 56.287 -0.501 0.000 0.868 130 K CB 1.946 33.688 32.500 -1.263 0.000 1.093 130 K HN 0.511 nan 8.250 nan 0.000 0.454 131 I N 1.940 122.551 120.570 0.068 0.000 2.433 131 I HA 0.106 4.276 4.170 -0.000 0.000 0.292 131 I C 0.471 176.754 176.117 0.278 0.000 1.001 131 I CA -1.007 60.440 61.300 0.246 0.000 1.119 131 I CB 2.018 40.191 38.000 0.289 0.000 1.289 131 I HN 0.594 nan 8.210 nan 0.000 0.438 132 T N 0.353 115.044 114.554 0.228 0.000 2.754 132 T HA 0.027 4.377 4.350 -0.000 0.000 0.282 132 T C 1.271 176.074 174.700 0.172 0.000 0.923 132 T CA -0.181 61.978 62.100 0.097 0.000 1.164 132 T CB 0.311 69.072 68.868 -0.179 0.000 0.873 132 T HN 0.871 nan 8.240 nan 0.000 0.537 133 T N 0.265 114.935 114.554 0.193 0.000 2.896 133 T HA 0.051 4.401 4.350 -0.000 0.000 0.263 133 T C 0.569 175.423 174.700 0.255 0.000 1.050 133 T CA 0.426 62.584 62.100 0.096 0.000 1.140 133 T CB -0.076 68.694 68.868 -0.164 0.000 0.877 133 T HN 0.731 nan 8.240 nan 0.000 0.457 134 K N 0.375 120.891 120.400 0.193 0.000 2.616 134 K HA 0.208 4.528 4.320 -0.000 0.000 0.255 134 K C -1.250 175.392 176.600 0.070 0.000 0.995 134 K CA -0.756 55.564 56.287 0.055 0.000 0.860 134 K CB 1.333 33.788 32.500 -0.073 0.000 1.264 134 K HN 0.299 nan 8.250 nan 0.000 0.451 135 H N 2.112 121.187 119.070 0.009 0.000 2.417 135 H HA 0.181 4.737 4.556 -0.000 0.000 0.325 135 H C 0.767 175.932 175.328 -0.271 0.000 1.549 135 H CA 0.197 56.200 56.048 -0.074 0.000 1.476 135 H CB 0.926 30.637 29.762 -0.084 0.000 1.732 135 H HN 0.717 nan 8.280 nan 0.000 0.695 136 H N 0.413 119.094 119.070 -0.649 0.000 2.426 136 H HA -0.159 4.397 4.556 -0.000 0.000 0.298 136 H C 1.892 176.589 175.328 -1.052 0.000 1.107 136 H CA 1.619 56.929 56.048 -1.230 0.000 1.298 136 H CB -0.222 28.171 29.762 -2.282 0.000 1.377 136 H HN 0.676 nan 8.280 nan 0.000 0.519 137 E N -0.097 119.893 120.200 -0.351 0.000 2.204 137 E HA -0.056 4.294 4.350 -0.000 0.000 0.195 137 E C 1.531 178.175 176.600 0.072 0.000 0.990 137 E CA 0.872 57.296 56.400 0.040 0.000 0.821 137 E CB -0.055 29.832 29.700 0.313 0.000 0.750 137 E HN 0.430 nan 8.360 nan 0.000 0.477 138 G N 0.859 109.669 108.800 0.017 0.000 2.176 138 G HA2 -0.312 3.647 3.960 -0.000 0.000 0.232 138 G HA3 -0.312 3.647 3.960 -0.000 0.000 0.232 138 G C -0.112 174.849 174.900 0.102 0.000 0.986 138 G CA -0.013 45.114 45.100 0.045 0.000 0.643 138 G HN 0.370 nan 8.290 nan 0.000 0.522 139 F N 2.821 122.745 119.950 -0.044 0.000 2.467 139 F HA 0.555 5.081 4.527 -0.000 0.000 0.362 139 F C 0.810 176.495 175.800 -0.191 0.000 1.090 139 F CA -0.891 57.032 58.000 -0.129 0.000 1.202 139 F CB 0.367 39.232 39.000 -0.225 0.000 1.113 139 F HN 0.204 nan 8.300 nan 0.000 0.541 140 C N 7.951 126.696 119.300 -0.926 0.000 2.330 140 C HA 0.283 4.742 4.460 -0.000 0.000 0.344 140 C C 1.682 176.013 174.990 -1.098 0.000 1.273 140 C CA -0.868 57.602 59.018 -0.914 0.000 1.879 140 C CB 0.390 27.383 27.740 -1.246 0.000 2.376 140 C HN 0.924 nan 8.230 nan 0.000 0.534 141 L N 1.504 122.429 121.223 -0.496 0.000 2.610 141 L HA 0.079 4.419 4.340 -0.000 0.000 0.232 141 L C 0.473 177.309 176.870 -0.058 0.000 1.149 141 L CA 0.533 55.179 54.840 -0.323 0.000 0.872 141 L CB -0.352 41.660 42.059 -0.079 0.000 0.992 141 L HN 0.854 nan 8.230 nan 0.000 0.447 142 W N -0.516 120.639 121.300 -0.243 0.000 2.799 142 W HA 0.485 5.145 4.660 -0.000 0.000 0.349 142 W C -2.649 173.823 176.519 -0.079 0.000 1.100 142 W CA -2.430 54.868 57.345 -0.078 0.000 1.174 142 W CB 0.519 30.010 29.460 0.051 0.000 1.427 142 W HN -0.335 nan 8.180 nan 0.000 0.547 143 P HA 0.028 nan 4.420 nan 0.000 0.238 143 P C -0.005 177.093 177.300 -0.337 0.000 1.794 143 P CA 0.225 63.173 63.100 -0.253 0.000 1.088 143 P CB 0.626 32.290 31.700 -0.060 0.000 1.923 144 S N 2.225 117.471 115.700 -0.756 0.000 2.549 144 S HA -0.004 4.466 4.470 -0.000 0.000 0.286 144 S C 1.436 175.893 174.600 -0.238 0.000 1.314 144 S CA -0.345 57.594 58.200 -0.436 0.000 1.062 144 S CB 0.380 63.241 63.200 -0.564 0.000 0.865 144 S HN 0.417 nan 8.310 nan 0.000 0.498 145 K N 3.575 123.832 120.400 -0.238 0.000 2.504 145 K HA -0.042 4.278 4.320 -0.000 0.000 0.195 145 K C 0.088 176.357 176.600 -0.552 0.000 1.036 145 K CA 1.251 57.265 56.287 -0.454 0.000 0.984 145 K CB -0.113 32.036 32.500 -0.586 0.000 0.788 145 K HN 0.780 nan 8.250 nan 0.000 0.488 146 Y N 0.148 120.458 120.300 0.016 0.000 2.458 146 Y HA 0.228 4.778 4.550 -0.000 0.000 0.256 146 Y C 0.311 176.338 175.900 0.212 0.000 1.159 146 Y CA -0.161 58.004 58.100 0.109 0.000 1.261 146 Y CB 1.126 39.633 38.460 0.077 0.000 1.119 146 Y HN -0.005 nan 8.280 nan 0.000 0.524 147 T N -0.647 113.996 114.554 0.148 0.000 2.885 147 T HA 0.221 4.570 4.350 -0.000 0.000 0.322 147 T C 0.209 174.841 174.700 -0.113 0.000 1.387 147 T CA -0.784 61.372 62.100 0.094 0.000 1.041 147 T CB 1.192 70.212 68.868 0.254 0.000 1.287 147 T HN 0.249 nan 8.240 nan 0.000 0.491 148 K N 1.416 121.648 120.400 -0.281 0.000 2.418 148 K HA 0.078 4.398 4.320 -0.000 0.000 0.195 148 K C -0.301 176.092 176.600 -0.346 0.000 1.035 148 K CA 0.507 56.581 56.287 -0.354 0.000 1.003 148 K CB -0.164 32.078 32.500 -0.430 0.000 0.793 148 K HN 0.501 nan 8.250 nan 0.000 0.494 149 Y N 3.209 123.507 120.300 -0.003 0.000 2.667 149 Y HA 0.142 4.692 4.550 -0.000 0.000 0.340 149 Y C 0.349 176.195 175.900 -0.088 0.000 1.303 149 Y CA -0.242 57.883 58.100 0.042 0.000 1.769 149 Y CB -0.349 38.172 38.460 0.101 0.000 1.804 149 Y HN 0.146 nan 8.280 nan 0.000 0.451 150 T N -4.175 110.339 114.554 -0.067 0.000 2.841 150 T HA 0.342 4.692 4.350 -0.000 0.000 0.296 150 T C 0.861 175.409 174.700 -0.254 0.000 1.166 150 T CA -0.429 61.405 62.100 -0.443 0.000 1.007 150 T CB 0.889 69.478 68.868 -0.466 0.000 1.253 150 T HN 0.113 nan 8.240 nan 0.000 0.511 151 V N -0.285 119.356 119.914 -0.455 0.000 2.688 151 V HA 0.029 4.148 4.120 -0.000 0.000 0.256 151 V C 2.890 179.004 176.094 0.033 0.000 1.084 151 V CA 1.911 64.150 62.300 -0.103 0.000 1.103 151 V CB -2.096 29.673 31.823 -0.089 0.000 0.688 151 V HN 1.063 nan 8.190 nan 0.000 0.480 152 A N 0.994 123.784 122.820 -0.050 0.000 1.933 152 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 152 A C 1.882 179.470 177.584 0.007 0.000 1.175 152 A CA 1.933 53.957 52.037 -0.022 0.000 0.628 152 A CB -0.701 18.259 19.000 -0.068 0.000 0.814 152 A HN 0.608 nan 8.150 nan 0.000 0.444 153 N N 0.319 119.026 118.700 0.011 0.000 2.313 153 N HA 0.033 4.773 4.740 -0.000 0.000 0.207 153 N C 0.226 175.780 175.510 0.073 0.000 1.141 153 N CA 0.869 53.934 53.050 0.025 0.000 0.830 153 N CB 0.082 38.561 38.487 -0.013 0.000 1.008 153 N HN 0.681 nan 8.380 nan 0.000 0.481 154 T N -3.208 111.421 114.554 0.126 0.000 2.952 154 T HA 0.408 4.758 4.350 -0.000 0.000 0.286 154 T C -1.956 172.842 174.700 0.163 0.000 1.024 154 T CA -1.870 60.335 62.100 0.174 0.000 1.029 154 T CB 2.473 71.540 68.868 0.331 0.000 1.094 154 T HN -0.289 nan 8.240 nan 0.000 0.515 155 P HA -0.062 nan 4.420 nan 0.000 0.219 155 P C 0.848 178.230 177.300 0.138 0.000 1.146 155 P CA 0.753 63.918 63.100 0.109 0.000 0.808 155 P CB -0.147 31.605 31.700 0.087 0.000 0.779 156 Y N 0.905 121.254 120.300 0.083 0.000 2.293 156 Y HA -0.194 4.356 4.550 -0.000 0.000 0.291 156 Y C 1.615 177.564 175.900 0.081 0.000 1.137 156 Y CA 1.596 59.740 58.100 0.074 0.000 1.202 156 Y CB -0.162 38.352 38.460 0.090 0.000 0.990 156 Y HN -0.169 nan 8.280 nan 0.000 0.537 157 K N -1.360 119.139 120.400 0.165 0.000 3.870 157 K HA -0.313 4.007 4.320 -0.000 0.000 0.370 157 K C 0.418 177.052 176.600 0.057 0.000 0.607 157 K CA 1.796 58.120 56.287 0.062 0.000 1.617 157 K CB -1.290 31.203 32.500 -0.012 0.000 1.221 157 K HN 0.270 nan 8.250 nan 0.000 0.485 158 R N 1.932 122.447 120.500 0.025 0.000 2.643 158 R HA 0.027 4.367 4.340 -0.000 0.000 0.270 158 R C 0.233 176.626 176.300 0.154 0.000 1.061 158 R CA -0.125 56.007 56.100 0.054 0.000 1.107 158 R CB 0.190 30.485 30.300 -0.008 0.000 0.999 158 R HN 0.090 nan 8.270 nan 0.000 0.460 159 D N 3.357 123.838 120.400 0.134 0.000 2.489 159 D HA 0.000 4.640 4.640 -0.000 0.000 0.237 159 D C 1.037 177.440 176.300 0.172 0.000 1.212 159 D CA 0.120 54.217 54.000 0.162 0.000 1.058 159 D CB -0.051 40.870 40.800 0.202 0.000 1.098 159 D HN 0.447 nan 8.370 nan 0.000 0.509 160 I N 2.204 122.855 120.570 0.135 0.000 2.208 160 I HA -0.292 3.878 4.170 -0.000 0.000 0.245 160 I C 2.146 178.317 176.117 0.090 0.000 1.097 160 I CA 0.536 61.876 61.300 0.065 0.000 1.363 160 I CB -0.138 37.820 38.000 -0.070 0.000 1.051 160 I HN 0.367 nan 8.210 nan 0.000 0.413 161 L N 1.110 122.369 121.223 0.061 0.000 2.017 161 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 161 L C 2.398 179.220 176.870 -0.080 0.000 1.073 161 L CA 2.304 57.117 54.840 -0.045 0.000 0.745 161 L CB -1.273 40.653 42.059 -0.223 0.000 0.894 161 L HN 0.212 nan 8.230 nan 0.000 0.432 162 G N -1.347 107.469 108.800 0.026 0.000 2.440 162 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.218 162 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.218 162 G C 1.461 176.457 174.900 0.160 0.000 1.154 162 G CA 0.872 46.088 45.100 0.192 0.000 0.767 162 G HN 0.539 nan 8.290 nan 0.000 0.552 163 E N -0.083 120.212 120.200 0.158 0.000 2.072 163 E HA -0.008 4.341 4.350 -0.000 0.000 0.191 163 E C 2.600 179.239 176.600 0.066 0.000 0.985 163 E CA 0.419 56.903 56.400 0.139 0.000 0.801 163 E CB -0.157 29.685 29.700 0.236 0.000 0.750 163 E HN 0.399 nan 8.360 nan 0.000 0.452 164 L N 0.470 121.749 121.223 0.093 0.000 2.056 164 L HA -0.165 4.175 4.340 -0.000 0.000 0.207 164 L C 2.474 179.371 176.870 0.045 0.000 1.078 164 L CA 0.623 55.452 54.840 -0.018 0.000 0.749 164 L CB -0.351 41.808 42.059 0.167 0.000 0.901 164 L HN 0.039 nan 8.230 nan 0.000 0.433 165 V N 0.198 120.198 119.914 0.143 0.000 2.295 165 V HA -0.301 3.819 4.120 -0.000 0.000 0.246 165 V C 2.600 178.787 176.094 0.154 0.000 1.049 165 V CA 2.033 64.451 62.300 0.196 0.000 1.024 165 V CB -0.429 31.492 31.823 0.163 0.000 0.648 165 V HN 0.399 nan 8.190 nan 0.000 0.447 166 K N 1.103 121.571 120.400 0.112 0.000 2.002 166 K HA -0.127 4.193 4.320 -0.000 0.000 0.209 166 K C 2.060 178.681 176.600 0.034 0.000 1.048 166 K CA 1.993 58.327 56.287 0.080 0.000 0.930 166 K CB -0.773 31.770 32.500 0.072 0.000 0.714 166 K HN 0.357 nan 8.250 nan 0.000 0.438 167 A N -0.379 122.417 122.820 -0.040 0.000 1.902 167 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 167 A C 2.108 179.651 177.584 -0.069 0.000 1.181 167 A CA 1.577 53.546 52.037 -0.112 0.000 0.623 167 A CB -0.982 17.870 19.000 -0.246 0.000 0.818 167 A HN 0.431 nan 8.150 nan 0.000 0.443 168 Y N 0.734 121.069 120.300 0.060 0.000 2.114 168 Y HA -0.190 4.359 4.550 -0.000 0.000 0.284 168 Y C 2.469 178.387 175.900 0.029 0.000 1.143 168 Y CA 1.450 59.578 58.100 0.047 0.000 1.135 168 Y CB -0.810 37.686 38.460 0.060 0.000 0.980 168 Y HN 0.307 nan 8.280 nan 0.000 0.499 169 N N 0.234 119.052 118.700 0.197 0.000 2.149 169 N HA -0.165 4.574 4.740 -0.000 0.000 0.188 169 N C 1.279 176.834 175.510 0.075 0.000 1.019 169 N CA 1.552 54.671 53.050 0.115 0.000 0.857 169 N CB -0.579 37.966 38.487 0.097 0.000 0.997 169 N HN 0.342 nan 8.380 nan 0.000 0.426 170 D N 0.830 121.267 120.400 0.062 0.000 2.221 170 D HA -0.108 4.531 4.640 -0.000 0.000 0.204 170 D C 1.025 177.344 176.300 0.032 0.000 0.982 170 D CA 0.827 54.849 54.000 0.036 0.000 0.857 170 D CB -0.022 40.789 40.800 0.018 0.000 0.934 170 D HN 0.334 nan 8.370 nan 0.000 0.475 171 E N -0.483 119.748 120.200 0.052 0.000 2.465 171 E HA 0.175 4.525 4.350 -0.000 0.000 0.191 171 E C 1.056 177.677 176.600 0.034 0.000 1.053 171 E CA 0.164 56.590 56.400 0.043 0.000 0.869 171 E CB 0.489 30.229 29.700 0.067 0.000 0.977 171 E HN 0.241 nan 8.360 nan 0.000 0.483 172 G N 2.015 110.837 108.800 0.037 0.000 2.198 172 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.257 172 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.257 172 G C 0.191 175.100 174.900 0.015 0.000 1.042 172 G CA 0.106 45.217 45.100 0.018 0.000 0.791 172 G HN 0.263 nan 8.290 nan 0.000 0.502 173 I N 0.963 121.561 120.570 0.047 0.000 2.339 173 I HA 0.255 4.425 4.170 -0.000 0.000 0.290 173 I C -0.210 175.919 176.117 0.020 0.000 0.994 173 I CA -0.988 60.325 61.300 0.022 0.000 1.191 173 I CB 1.088 39.111 38.000 0.038 0.000 1.343 173 I HN -0.059 nan 8.210 nan 0.000 0.458 174 D N 5.529 125.922 120.400 -0.012 0.000 2.399 174 D HA 0.212 4.852 4.640 -0.000 0.000 0.241 174 D C -0.295 175.982 176.300 -0.039 0.000 1.133 174 D CA 0.143 54.141 54.000 -0.003 0.000 0.890 174 D CB 1.592 42.389 40.800 -0.003 0.000 1.201 174 D HN 0.028 nan 8.370 nan 0.000 0.432 175 V N 2.389 122.310 119.914 0.013 0.000 2.555 175 V HA 0.308 4.428 4.120 -0.000 0.000 0.302 175 V C -0.179 175.948 176.094 0.056 0.000 1.038 175 V CA -0.672 61.625 62.300 -0.005 0.000 0.887 175 V CB 1.609 33.471 31.823 0.065 0.000 0.991 175 V HN 0.493 nan 8.190 nan 0.000 0.434 176 H N 3.767 122.752 119.070 -0.141 0.000 2.622 176 H HA 0.543 5.099 4.556 -0.000 0.000 0.363 176 H C -1.486 173.828 175.328 -0.023 0.000 1.151 176 H CA -0.843 55.104 56.048 -0.167 0.000 1.184 176 H CB 2.250 31.992 29.762 -0.033 0.000 1.643 176 H HN 0.421 nan 8.280 nan 0.000 0.531 177 F N 2.330 122.166 119.950 -0.189 0.000 2.361 177 F HA 0.103 4.629 4.527 -0.000 0.000 0.364 177 F C -0.038 175.771 175.800 0.014 0.000 1.117 177 F CA -1.269 56.597 58.000 -0.224 0.000 1.071 177 F CB 0.063 38.664 39.000 -0.665 0.000 1.188 177 F HN 0.469 nan 8.300 nan 0.000 0.464 178 Y N 4.811 125.268 120.300 0.262 0.000 2.425 178 Y HA 0.380 4.930 4.550 -0.000 0.000 0.331 178 Y C -1.355 174.707 175.900 0.269 0.000 1.157 178 Y CA -0.347 57.992 58.100 0.398 0.000 1.372 178 Y CB 0.656 39.419 38.460 0.506 0.000 1.253 178 Y HN 0.470 nan 8.280 nan 0.000 0.536 179 F N 5.661 125.409 119.950 -0.336 0.000 2.573 179 F HA 0.359 4.886 4.527 -0.000 0.000 0.316 179 F C -1.129 174.405 175.800 -0.444 0.000 1.148 179 F CA -0.691 57.158 58.000 -0.250 0.000 0.940 179 F CB 1.482 40.317 39.000 -0.275 0.000 1.214 179 F HN 0.448 nan 8.300 nan 0.000 0.448 180 S N 4.531 119.880 115.700 -0.585 0.000 2.452 180 S HA 0.395 4.865 4.470 -0.000 0.000 0.284 180 S C 0.603 175.047 174.600 -0.260 0.000 1.171 180 S CA -0.589 57.377 58.200 -0.390 0.000 1.064 180 S CB 1.249 64.272 63.200 -0.295 0.000 0.967 180 S HN 0.585 nan 8.310 nan 0.000 0.484 181 V N 6.166 126.100 119.914 0.034 0.000 2.323 181 V HA -0.029 4.091 4.120 -0.000 0.000 0.244 181 V C 1.679 177.772 176.094 -0.001 0.000 1.041 181 V CA 1.288 63.717 62.300 0.213 0.000 1.025 181 V CB -0.544 31.400 31.823 0.201 0.000 0.656 181 V HN 0.913 nan 8.190 nan 0.000 0.451 182 M N 1.782 121.148 119.600 -0.389 0.000 2.284 182 M HA 0.047 4.527 4.480 -0.000 0.000 0.351 182 M C -0.598 175.227 176.300 -0.792 0.000 1.443 182 M CA 0.754 55.466 55.300 -0.981 0.000 1.031 182 M CB 0.104 32.140 32.600 -0.939 0.000 1.893 182 M HN 0.233 nan 8.290 nan 0.000 0.456 183 D N 5.244 125.133 120.400 -0.852 0.000 2.575 183 D HA 0.147 4.786 4.640 -0.000 0.000 0.250 183 D C -0.352 175.834 176.300 -0.190 0.000 1.279 183 D CA -0.326 53.470 54.000 -0.340 0.000 0.925 183 D CB 0.615 41.524 40.800 0.182 0.000 1.261 183 D HN 0.721 nan 8.370 nan 0.000 0.567 184 W N 2.256 123.428 121.300 -0.212 0.000 2.937 184 W HA -0.004 4.656 4.660 -0.000 0.000 0.245 184 W C 1.882 178.332 176.519 -0.116 0.000 1.306 184 W CA 0.403 57.647 57.345 -0.169 0.000 1.470 184 W CB -0.847 28.477 29.460 -0.227 0.000 1.132 184 W HN 0.475 nan 8.180 nan 0.000 0.675 185 S N -0.999 114.761 115.700 0.101 0.000 2.517 185 S HA 0.070 4.540 4.470 -0.000 0.000 0.214 185 S C 0.466 175.108 174.600 0.069 0.000 0.991 185 S CA -0.094 58.100 58.200 -0.010 0.000 0.906 185 S CB -0.120 63.010 63.200 -0.118 0.000 0.789 185 S HN 0.019 nan 8.310 nan 0.000 0.513 186 N N 2.563 121.323 118.700 0.099 0.000 2.476 186 N HA 0.399 5.139 4.740 -0.000 0.000 0.257 186 N C -2.192 173.385 175.510 0.111 0.000 0.970 186 N CA -2.175 50.916 53.050 0.067 0.000 0.938 186 N CB 2.056 40.544 38.487 0.001 0.000 1.144 186 N HN 0.006 nan 8.380 nan 0.000 0.500 187 P HA -0.003 nan 4.420 nan 0.000 0.230 187 P C 0.053 177.403 177.300 0.084 0.000 1.158 187 P CA 0.705 63.856 63.100 0.084 0.000 0.769 187 P CB 0.623 32.362 31.700 0.066 0.000 0.807 188 D N -1.490 118.973 120.400 0.105 0.000 2.347 188 D HA -0.072 4.568 4.640 -0.000 0.000 0.215 188 D C 0.672 177.025 176.300 0.088 0.000 0.976 188 D CA 0.207 54.283 54.000 0.127 0.000 0.884 188 D CB -0.699 40.205 40.800 0.174 0.000 0.915 188 D HN 0.193 nan 8.370 nan 0.000 0.526 189 Y N 2.222 122.414 120.300 -0.180 0.000 2.702 189 Y HA 0.025 4.574 4.550 -0.000 0.000 0.336 189 Y C 0.349 176.113 175.900 -0.226 0.000 1.235 189 Y CA 0.251 57.996 58.100 -0.591 0.000 1.492 189 Y CB 0.353 38.384 38.460 -0.716 0.000 1.308 189 Y HN -0.283 nan 8.280 nan 0.000 0.589 190 R N 5.162 124.966 120.500 -1.160 0.000 2.628 190 R HA 0.142 4.482 4.340 -0.000 0.000 0.288 190 R C -0.388 175.162 176.300 -1.250 0.000 0.980 190 R CA -0.729 54.864 56.100 -0.845 0.000 0.891 190 R CB 0.975 30.950 30.300 -0.541 0.000 1.188 190 R HN 0.832 nan 8.270 nan 0.000 0.450 191 Y N -0.457 119.489 120.300 -0.589 0.000 2.420 191 Y HA 0.082 4.631 4.550 -0.000 0.000 0.292 191 Y C 0.710 176.414 175.900 -0.326 0.000 1.119 191 Y CA 0.731 58.635 58.100 -0.326 0.000 1.229 191 Y CB 0.539 38.958 38.460 -0.070 0.000 1.026 191 Y HN 0.427 nan 8.280 nan 0.000 0.554 192 D N -1.561 118.712 120.400 -0.212 0.000 2.609 192 D HA 0.283 4.922 4.640 -0.000 0.000 0.239 192 D C -1.568 174.577 176.300 -0.258 0.000 1.229 192 D CA -0.527 53.341 54.000 -0.220 0.000 0.808 192 D CB 1.794 42.537 40.800 -0.094 0.000 1.448 192 D HN -0.291 nan 8.370 nan 0.000 0.433 193 I N 3.214 123.651 120.570 -0.222 0.000 2.347 193 I HA 0.257 4.426 4.170 -0.000 0.000 0.283 193 I C 1.233 177.298 176.117 -0.088 0.000 1.058 193 I CA -0.203 61.000 61.300 -0.162 0.000 1.202 193 I CB 0.893 38.809 38.000 -0.140 0.000 1.386 193 I HN 0.320 nan 8.210 nan 0.000 0.475 194 K N 2.514 122.871 120.400 -0.072 0.000 2.329 194 K HA 0.123 4.443 4.320 -0.000 0.000 0.198 194 K C 0.887 177.469 176.600 -0.031 0.000 1.085 194 K CA 0.356 56.615 56.287 -0.045 0.000 0.961 194 K CB 0.673 33.147 32.500 -0.043 0.000 0.971 194 K HN 0.635 nan 8.250 nan 0.000 0.502 195 S N 0.388 116.070 115.700 -0.029 0.000 2.739 195 S HA 0.236 4.706 4.470 -0.000 0.000 0.306 195 S C 0.796 175.391 174.600 -0.008 0.000 1.115 195 S CA -0.743 57.447 58.200 -0.016 0.000 0.985 195 S CB 2.307 65.499 63.200 -0.013 0.000 1.133 195 S HN 0.122 nan 8.310 nan 0.000 0.541 196 K N 0.631 121.031 120.400 -0.001 0.000 2.063 196 K HA -0.135 4.185 4.320 -0.000 0.000 0.208 196 K C 1.849 178.457 176.600 0.013 0.000 1.048 196 K CA 1.896 58.187 56.287 0.007 0.000 0.928 196 K CB -0.410 32.093 32.500 0.006 0.000 0.713 196 K HN 0.699 nan 8.250 nan 0.000 0.442 197 E N 0.432 120.638 120.200 0.010 0.000 2.153 197 E HA -0.223 4.126 4.350 -0.000 0.000 0.194 197 E C 1.117 177.730 176.600 0.021 0.000 0.988 197 E CA 1.533 57.942 56.400 0.016 0.000 0.811 197 E CB -0.123 29.584 29.700 0.011 0.000 0.746 197 E HN 0.429 nan 8.360 nan 0.000 0.466 198 D N -0.024 120.379 120.400 0.006 0.000 2.117 198 D HA -0.138 4.502 4.640 -0.000 0.000 0.197 198 D C 1.973 178.296 176.300 0.039 0.000 0.987 198 D CA 1.278 55.275 54.000 -0.004 0.000 0.829 198 D CB -0.460 40.309 40.800 -0.052 0.000 0.961 198 D HN 0.095 nan 8.370 nan 0.000 0.460 199 S N -0.184 115.542 115.700 0.042 0.000 2.368 199 S HA -0.097 4.373 4.470 -0.000 0.000 0.224 199 S C 1.996 176.662 174.600 0.110 0.000 1.029 199 S CA 0.550 58.800 58.200 0.082 0.000 0.988 199 S CB -0.102 63.131 63.200 0.055 0.000 0.838 199 S HN 0.078 nan 8.310 nan 0.000 0.462 200 I N 2.053 122.667 120.570 0.075 0.000 2.202 200 I HA -0.086 4.084 4.170 -0.000 0.000 0.242 200 I C 2.931 179.099 176.117 0.085 0.000 1.091 200 I CA 1.415 62.756 61.300 0.068 0.000 1.368 200 I CB -1.903 36.124 38.000 0.045 0.000 1.058 200 I HN 0.403 nan 8.210 nan 0.000 0.410 201 A N 0.592 123.466 122.820 0.091 0.000 1.877 201 A HA -0.254 4.065 4.320 -0.000 0.000 0.216 201 A C 2.270 179.952 177.584 0.162 0.000 1.186 201 A CA 1.415 53.514 52.037 0.104 0.000 0.620 201 A CB -1.066 17.982 19.000 0.081 0.000 0.822 201 A HN 0.365 nan 8.150 nan 0.000 0.443 202 F N 0.613 120.564 119.950 0.002 0.000 2.234 202 F HA -0.069 4.458 4.527 -0.000 0.000 0.299 202 F C 2.682 178.529 175.800 0.078 0.000 1.087 202 F CA 1.253 59.255 58.000 0.004 0.000 1.340 202 F CB -0.430 38.504 39.000 -0.110 0.000 1.031 202 F HN 0.231 nan 8.300 nan 0.000 0.500 203 S N 0.199 115.958 115.700 0.099 0.000 2.359 203 S HA -0.293 4.176 4.470 -0.000 0.000 0.223 203 S C 2.403 176.998 174.600 -0.008 0.000 1.039 203 S CA 1.772 59.997 58.200 0.042 0.000 1.042 203 S CB -0.449 62.802 63.200 0.086 0.000 0.915 203 S HN 0.502 nan 8.310 nan 0.000 0.439 204 R N -1.003 119.516 120.500 0.033 0.000 2.120 204 R HA -0.081 4.259 4.340 -0.000 0.000 0.234 204 R C 2.134 178.450 176.300 0.026 0.000 1.123 204 R CA 1.563 57.686 56.100 0.037 0.000 0.975 204 R CB -0.490 29.846 30.300 0.059 0.000 0.866 204 R HN 0.541 nan 8.270 nan 0.000 0.446 205 F N 1.063 120.938 119.950 -0.125 0.000 2.134 205 F HA -0.157 4.370 4.527 -0.000 0.000 0.299 205 F C 1.691 177.373 175.800 -0.197 0.000 1.097 205 F CA 1.447 59.362 58.000 -0.142 0.000 1.264 205 F CB -0.082 38.796 39.000 -0.204 0.000 1.001 205 F HN -0.021 nan 8.300 nan 0.000 0.479 206 L N -0.202 120.760 121.223 -0.435 0.000 2.156 206 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 206 L C 2.295 179.040 176.870 -0.207 0.000 1.095 206 L CA 1.289 55.788 54.840 -0.568 0.000 0.770 206 L CB -0.725 40.886 42.059 -0.747 0.000 0.914 206 L HN 0.162 nan 8.230 nan 0.000 0.439 207 E N 0.002 120.147 120.200 -0.091 0.000 2.051 207 E HA -0.273 4.076 4.350 -0.000 0.000 0.192 207 E C 2.009 178.554 176.600 -0.093 0.000 0.991 207 E CA 1.571 57.955 56.400 -0.025 0.000 0.799 207 E CB -0.268 29.435 29.700 0.005 0.000 0.748 207 E HN 0.377 nan 8.360 nan 0.000 0.449 208 F N 1.985 121.776 119.950 -0.265 0.000 2.091 208 F HA -0.265 4.262 4.527 -0.000 0.000 0.299 208 F C 2.250 177.861 175.800 -0.314 0.000 1.103 208 F CA 1.960 59.776 58.000 -0.307 0.000 1.228 208 F CB -0.556 38.259 39.000 -0.309 0.000 0.984 208 F HN -0.115 nan 8.300 nan 0.000 0.477 209 T N 0.211 114.479 114.554 -0.477 0.000 2.708 209 T HA -0.184 4.166 4.350 -0.000 0.000 0.266 209 T C 1.432 176.004 174.700 -0.213 0.000 1.037 209 T CA 1.590 63.475 62.100 -0.358 0.000 1.146 209 T CB -0.483 68.228 68.868 -0.262 0.000 0.865 209 T HN 0.267 nan 8.240 nan 0.000 0.435 210 D N 1.241 121.584 120.400 -0.094 0.000 2.116 210 D HA -0.093 4.547 4.640 -0.000 0.000 0.193 210 D C 2.192 178.357 176.300 -0.225 0.000 0.998 210 D CA 0.907 54.864 54.000 -0.073 0.000 0.836 210 D CB -0.484 40.356 40.800 0.067 0.000 0.951 210 D HN 0.224 nan 8.370 nan 0.000 0.449 211 N N 0.655 119.129 118.700 -0.377 0.000 2.084 211 N HA -0.133 4.607 4.740 -0.000 0.000 0.190 211 N C 1.827 177.058 175.510 -0.465 0.000 1.030 211 N CA 0.781 53.454 53.050 -0.628 0.000 0.849 211 N CB -0.333 37.355 38.487 -1.332 0.000 1.012 211 N HN 0.406 nan 8.380 nan 0.000 0.423 212 Q N 0.288 119.848 119.800 -0.399 0.000 2.084 212 Q HA -0.042 4.297 4.340 -0.000 0.000 0.202 212 Q C 2.208 178.208 176.000 0.000 0.000 0.978 212 Q CA 0.896 56.716 55.803 0.028 0.000 0.844 212 Q CB -0.125 28.695 28.738 0.137 0.000 0.898 212 Q HN 0.372 nan 8.270 nan 0.000 0.426 213 L N 0.405 121.496 121.223 -0.219 0.000 2.056 213 L HA -0.195 4.145 4.340 -0.000 0.000 0.207 213 L C 2.304 179.045 176.870 -0.215 0.000 1.078 213 L CA 1.230 55.871 54.840 -0.331 0.000 0.749 213 L CB -0.295 41.476 42.059 -0.480 0.000 0.901 213 L HN 0.134 nan 8.230 nan 0.000 0.433 214 K N -0.128 120.169 120.400 -0.172 0.000 2.057 214 K HA -0.235 4.085 4.320 -0.000 0.000 0.207 214 K C 2.016 178.608 176.600 -0.014 0.000 1.049 214 K CA 1.447 57.670 56.287 -0.105 0.000 0.931 214 K CB -0.127 32.321 32.500 -0.087 0.000 0.714 214 K HN 0.296 nan 8.250 nan 0.000 0.440 215 E N 1.332 121.562 120.200 0.050 0.000 2.058 215 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 215 E C 2.029 178.662 176.600 0.055 0.000 0.997 215 E CA 0.977 57.457 56.400 0.134 0.000 0.801 215 E CB -0.013 29.897 29.700 0.350 0.000 0.746 215 E HN 0.214 nan 8.360 nan 0.000 0.450 216 L N 0.353 121.587 121.223 0.019 0.000 2.042 216 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 216 L C 2.688 179.750 176.870 0.319 0.000 1.076 216 L CA 1.223 56.107 54.840 0.074 0.000 0.749 216 L CB -0.463 41.622 42.059 0.043 0.000 0.893 216 L HN 0.243 nan 8.230 nan 0.000 0.432 217 A N -0.295 122.672 122.820 0.245 0.000 1.969 217 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 217 A C 2.385 180.027 177.584 0.096 0.000 1.169 217 A CA 2.125 54.289 52.037 0.213 0.000 0.635 217 A CB -0.748 18.270 19.000 0.030 0.000 0.810 217 A HN 0.539 nan 8.150 nan 0.000 0.445 218 T N -3.671 110.902 114.554 0.031 0.000 3.009 218 T HA 0.064 4.414 4.350 -0.000 0.000 0.258 218 T C 1.962 176.618 174.700 -0.073 0.000 1.063 218 T CA 0.795 62.889 62.100 -0.011 0.000 1.139 218 T CB -0.186 68.676 68.868 -0.011 0.000 0.890 218 T HN 0.398 nan 8.240 nan 0.000 0.471 219 R N -0.184 120.212 120.500 -0.174 0.000 2.115 219 R HA 0.080 4.420 4.340 -0.000 0.000 0.226 219 R C -0.092 175.823 176.300 -0.641 0.000 1.100 219 R CA 0.899 56.707 56.100 -0.487 0.000 0.980 219 R CB 0.037 29.843 30.300 -0.825 0.000 0.875 219 R HN 0.494 nan 8.270 nan 0.000 0.445 220 Y N -0.359 120.012 120.300 0.119 0.000 2.562 220 Y HA 0.284 4.834 4.550 -0.000 0.000 0.363 220 Y C -1.853 174.080 175.900 0.054 0.000 0.991 220 Y CA -2.563 55.616 58.100 0.132 0.000 1.121 220 Y CB 1.153 39.790 38.460 0.295 0.000 1.159 220 Y HN 0.026 nan 8.280 nan 0.000 0.651 221 P HA -0.123 nan 4.420 nan 0.000 0.234 221 P C 1.320 178.643 177.300 0.038 0.000 1.167 221 P CA 1.312 64.449 63.100 0.061 0.000 0.763 221 P CB 0.072 31.793 31.700 0.035 0.000 0.835 222 T N -3.538 111.045 114.554 0.048 0.000 3.113 222 T HA 0.041 4.391 4.350 -0.000 0.000 0.256 222 T C 0.874 175.534 174.700 -0.067 0.000 1.131 222 T CA -0.266 61.842 62.100 0.012 0.000 1.074 222 T CB -1.023 67.871 68.868 0.044 0.000 0.944 222 T HN -0.085 nan 8.240 nan 0.000 0.516 223 V N 2.318 122.124 119.914 -0.179 0.000 2.720 223 V HA 0.093 4.213 4.120 -0.000 0.000 0.307 223 V C 0.851 176.793 176.094 -0.253 0.000 1.071 223 V CA 0.373 62.394 62.300 -0.466 0.000 1.199 223 V CB 0.491 31.714 31.823 -1.001 0.000 0.900 223 V HN 0.352 nan 8.190 nan 0.000 0.494 224 K N 3.702 123.966 120.400 -0.226 0.000 2.367 224 K HA 0.304 4.624 4.320 -0.000 0.000 0.195 224 K C -0.055 176.425 176.600 -0.201 0.000 1.060 224 K CA 0.421 56.633 56.287 -0.125 0.000 1.022 224 K CB 0.234 32.731 32.500 -0.005 0.000 0.894 224 K HN 0.899 nan 8.250 nan 0.000 0.540 225 D N -1.011 119.195 120.400 -0.323 0.000 2.803 225 D HA 0.302 4.942 4.640 -0.000 0.000 0.218 225 D C -1.667 174.526 176.300 -0.177 0.000 1.245 225 D CA -0.508 53.355 54.000 -0.227 0.000 0.821 225 D CB 0.966 41.342 40.800 -0.706 0.000 1.626 225 D HN -0.253 nan 8.370 nan 0.000 0.487 226 F N 2.621 122.585 119.950 0.022 0.000 2.449 226 F HA 0.492 5.018 4.527 -0.000 0.000 0.342 226 F C -0.796 175.074 175.800 0.117 0.000 1.127 226 F CA -0.688 57.310 58.000 -0.004 0.000 0.975 226 F CB 1.480 40.389 39.000 -0.153 0.000 1.146 226 F HN 0.345 nan 8.300 nan 0.000 0.444 227 W N 6.576 127.902 121.300 0.044 0.000 2.336 227 W HA 0.589 5.249 4.660 -0.000 0.000 0.315 227 W C -1.645 174.842 176.519 -0.053 0.000 1.016 227 W CA -1.038 56.411 57.345 0.173 0.000 1.318 227 W CB 0.652 30.315 29.460 0.339 0.000 1.247 227 W HN 0.297 nan 8.180 nan 0.000 0.414 228 F N 4.752 124.576 119.950 -0.210 0.000 2.375 228 F HA 0.348 4.875 4.527 -0.000 0.000 0.333 228 F C 0.677 176.105 175.800 -0.622 0.000 1.104 228 F CA 0.172 57.994 58.000 -0.297 0.000 1.149 228 F CB 1.050 39.920 39.000 -0.218 0.000 1.190 228 F HN 0.179 nan 8.300 nan 0.000 0.533 229 D N -0.659 119.519 120.400 -0.371 0.000 2.610 229 D HA 0.440 5.080 4.640 -0.000 0.000 0.271 229 D C 0.065 176.045 176.300 -0.534 0.000 1.174 229 D CA 0.051 53.764 54.000 -0.478 0.000 0.949 229 D CB 1.883 42.473 40.800 -0.350 0.000 1.430 229 D HN 0.688 nan 8.370 nan 0.000 0.467 230 G N 0.283 108.484 108.800 -0.998 0.000 2.295 230 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.287 230 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.287 230 G C 0.566 174.878 174.900 -0.981 0.000 1.055 230 G CA 1.151 45.523 45.100 -1.213 0.000 0.922 230 G HN 0.714 nan 8.290 nan 0.000 0.503 231 T N -4.082 109.854 114.554 -1.031 0.000 3.084 231 T HA 0.240 4.590 4.350 -0.000 0.000 0.270 231 T C 1.589 176.109 174.700 -0.301 0.000 1.008 231 T CA 0.751 62.568 62.100 -0.472 0.000 0.900 231 T CB -0.295 68.391 68.868 -0.303 0.000 1.084 231 T HN 0.792 nan 8.240 nan 0.000 0.538 232 W N 1.203 122.521 121.300 0.031 0.000 2.595 232 W HA 0.383 5.043 4.660 -0.000 0.000 0.257 232 W C -0.322 176.226 176.519 0.047 0.000 1.267 232 W CA -1.012 56.362 57.345 0.049 0.000 1.300 232 W CB -0.822 28.689 29.460 0.085 0.000 1.120 232 W HN -0.015 nan 8.180 nan 0.000 0.618 233 D N 0.565 121.151 120.400 0.311 0.000 2.362 233 D HA 0.200 4.840 4.640 -0.000 0.000 0.242 233 D C 1.562 177.903 176.300 0.067 0.000 1.132 233 D CA 0.734 54.876 54.000 0.238 0.000 0.907 233 D CB 1.494 42.395 40.800 0.167 0.000 1.195 233 D HN 0.025 nan 8.370 nan 0.000 0.429 234 A N 1.792 124.631 122.820 0.032 0.000 1.948 234 A HA -0.226 4.094 4.320 -0.000 0.000 0.220 234 A C 2.127 179.628 177.584 -0.139 0.000 1.177 234 A CA 2.392 54.409 52.037 -0.033 0.000 0.636 234 A CB -0.736 18.247 19.000 -0.029 0.000 0.815 234 A HN 0.614 nan 8.150 nan 0.000 0.449 235 S N -0.187 115.329 115.700 -0.306 0.000 2.365 235 S HA -0.191 4.279 4.470 -0.000 0.000 0.225 235 S C 1.737 176.109 174.600 -0.380 0.000 1.039 235 S CA 1.759 59.578 58.200 -0.634 0.000 1.033 235 S CB -1.142 61.233 63.200 -1.374 0.000 0.887 235 S HN 0.319 nan 8.310 nan 0.000 0.447 236 V N 2.333 122.145 119.914 -0.169 0.000 2.379 236 V HA -0.104 4.016 4.120 -0.000 0.000 0.245 236 V C 2.664 178.747 176.094 -0.019 0.000 1.044 236 V CA 1.933 64.231 62.300 -0.002 0.000 1.036 236 V CB -0.763 31.067 31.823 0.011 0.000 0.664 236 V HN 0.464 nan 8.190 nan 0.000 0.453 237 K N 0.340 120.728 120.400 -0.020 0.000 2.103 237 K HA -0.202 4.117 4.320 -0.000 0.000 0.207 237 K C 2.058 178.665 176.600 0.012 0.000 1.048 237 K CA 1.515 57.804 56.287 0.002 0.000 0.930 237 K CB -0.223 32.290 32.500 0.022 0.000 0.716 237 K HN 0.373 nan 8.250 nan 0.000 0.444 238 K N 0.422 120.822 120.400 0.001 0.000 2.504 238 K HA -0.029 4.291 4.320 -0.000 0.000 0.195 238 K C 0.005 176.664 176.600 0.097 0.000 1.036 238 K CA 0.628 56.937 56.287 0.037 0.000 0.984 238 K CB 0.085 32.588 32.500 0.004 0.000 0.788 238 K HN 0.137 nan 8.250 nan 0.000 0.488 239 N N -0.512 118.220 118.700 0.053 0.000 2.644 239 N HA 0.087 4.826 4.740 -0.000 0.000 0.313 239 N C 0.667 176.023 175.510 -0.257 0.000 1.863 239 N CA -0.286 52.763 53.050 -0.002 0.000 0.918 239 N CB 1.395 39.912 38.487 0.049 0.000 1.320 239 N HN 0.081 nan 8.380 nan 0.000 0.490 240 G N 1.026 109.766 108.800 -0.101 0.000 2.513 240 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.219 240 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.219 240 G C 1.376 176.048 174.900 -0.380 0.000 1.160 240 G CA 0.954 45.970 45.100 -0.139 0.000 0.767 240 G HN 0.693 nan 8.290 nan 0.000 0.571 241 W N 0.018 120.895 121.300 -0.705 0.000 2.290 241 W HA -0.231 4.429 4.660 -0.000 0.000 0.311 241 W C 2.072 178.313 176.519 -0.464 0.000 1.238 241 W CA 1.123 57.723 57.345 -1.242 0.000 1.255 241 W CB -1.224 27.594 29.460 -1.071 0.000 1.145 241 W HN 0.320 nan 8.180 nan 0.000 0.506 242 W N 3.766 124.049 121.300 -1.695 0.000 2.381 242 W HA -0.196 4.464 4.660 -0.000 0.000 0.301 242 W C 3.058 179.155 176.519 -0.704 0.000 1.205 242 W CA 3.744 60.130 57.345 -1.599 0.000 1.285 242 W CB -0.621 27.806 29.460 -1.722 0.000 1.133 242 W HN 0.011 nan 8.180 nan 0.000 0.521 243 T N -1.380 112.814 114.554 -0.600 0.000 2.788 243 T HA -0.150 4.200 4.350 -0.000 0.000 0.268 243 T C 1.881 176.180 174.700 -0.668 0.000 1.044 243 T CA 1.791 63.480 62.100 -0.684 0.000 1.139 243 T CB -0.947 67.701 68.868 -0.367 0.000 0.867 243 T HN 0.152 nan 8.240 nan 0.000 0.454 244 A N 1.390 123.945 122.820 -0.441 0.000 1.897 244 A HA -0.018 4.301 4.320 -0.000 0.000 0.215 244 A C 2.202 179.608 177.584 -0.297 0.000 1.181 244 A CA 1.866 53.743 52.037 -0.266 0.000 0.620 244 A CB -1.184 17.818 19.000 0.004 0.000 0.821 244 A HN 0.808 nan 8.150 nan 0.000 0.443 245 H N 0.245 119.058 119.070 -0.428 0.000 2.321 245 H HA 0.049 4.605 4.556 -0.000 0.000 0.300 245 H C 2.054 177.041 175.328 -0.569 0.000 1.087 245 H CA 2.047 57.869 56.048 -0.377 0.000 1.319 245 H CB -0.378 29.233 29.762 -0.251 0.000 1.379 245 H HN 0.339 nan 8.280 nan 0.000 0.501 246 A N 0.767 122.843 122.820 -1.240 0.000 1.877 246 A HA -0.233 4.087 4.320 -0.000 0.000 0.216 246 A C 2.420 179.496 177.584 -0.847 0.000 1.186 246 A CA 1.844 53.115 52.037 -1.278 0.000 0.620 246 A CB -0.881 17.064 19.000 -1.758 0.000 0.822 246 A HN 0.737 nan 8.150 nan 0.000 0.443 247 E N -0.809 118.962 120.200 -0.716 0.000 2.038 247 E HA -0.334 4.016 4.350 -0.000 0.000 0.195 247 E C 2.195 178.575 176.600 -0.368 0.000 1.000 247 E CA 1.772 57.890 56.400 -0.470 0.000 0.803 247 E CB -0.181 29.286 29.700 -0.388 0.000 0.750 247 E HN 0.612 nan 8.360 nan 0.000 0.448 248 Q N 0.461 120.057 119.800 -0.342 0.000 2.119 248 Q HA -0.142 4.197 4.340 -0.000 0.000 0.201 248 Q C 2.142 177.986 176.000 -0.260 0.000 0.972 248 Q CA 1.927 57.588 55.803 -0.236 0.000 0.847 248 Q CB -0.293 28.355 28.738 -0.149 0.000 0.903 248 Q HN 0.447 nan 8.270 nan 0.000 0.433 249 M N -0.851 118.514 119.600 -0.391 0.000 2.159 249 M HA -0.144 4.336 4.480 -0.000 0.000 0.263 249 M C 1.407 177.516 176.300 -0.318 0.000 1.063 249 M CA 1.448 56.529 55.300 -0.365 0.000 1.110 249 M CB 0.024 32.281 32.600 -0.571 0.000 1.374 249 M HN 0.356 nan 8.290 nan 0.000 0.411 250 L N -0.134 120.858 121.223 -0.385 0.000 2.131 250 L HA -0.143 4.196 4.340 -0.000 0.000 0.206 250 L C 2.351 179.093 176.870 -0.214 0.000 1.087 250 L CA 1.061 55.685 54.840 -0.360 0.000 0.767 250 L CB -0.513 41.225 42.059 -0.534 0.000 0.917 250 L HN 0.253 nan 8.230 nan 0.000 0.441 251 K N 0.135 120.421 120.400 -0.189 0.000 2.148 251 K HA -0.167 4.153 4.320 -0.000 0.000 0.204 251 K C 1.900 178.442 176.600 -0.096 0.000 1.050 251 K CA 1.172 57.387 56.287 -0.119 0.000 0.942 251 K CB -0.014 32.418 32.500 -0.113 0.000 0.724 251 K HN 0.370 nan 8.250 nan 0.000 0.446 252 E N 0.603 120.736 120.200 -0.111 0.000 2.152 252 E HA -0.107 4.243 4.350 -0.000 0.000 0.192 252 E C 1.834 178.391 176.600 -0.071 0.000 0.983 252 E CA 0.710 57.061 56.400 -0.082 0.000 0.818 252 E CB 0.086 29.736 29.700 -0.083 0.000 0.758 252 E HN 0.237 nan 8.360 nan 0.000 0.467 253 L N 0.252 121.421 121.223 -0.090 0.000 2.341 253 L HA 0.027 4.367 4.340 -0.000 0.000 0.214 253 L C 0.246 177.094 176.870 -0.036 0.000 1.115 253 L CA 0.300 55.100 54.840 -0.066 0.000 0.820 253 L CB 0.702 42.708 42.059 -0.089 0.000 0.944 253 L HN -0.097 nan 8.230 nan 0.000 0.452 254 V N 0.316 120.209 119.914 -0.035 0.000 2.443 254 V HA 0.272 4.392 4.120 -0.000 0.000 0.272 254 V C -2.405 173.681 176.094 -0.013 0.000 1.002 254 V CA -1.508 60.790 62.300 -0.004 0.000 0.840 254 V CB 1.045 32.892 31.823 0.039 0.000 1.042 254 V HN -0.062 nan 8.190 nan 0.000 0.446 255 P HA 0.160 nan 4.420 nan 0.000 0.260 255 P C 1.147 178.440 177.300 -0.011 0.000 1.172 255 P CA 1.640 64.731 63.100 -0.015 0.000 0.760 255 P CB 0.528 32.223 31.700 -0.010 0.000 0.773 256 G N 1.713 110.503 108.800 -0.017 0.000 2.162 256 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.260 256 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.260 256 G C 0.325 175.216 174.900 -0.016 0.000 0.976 256 G CA 0.012 45.103 45.100 -0.015 0.000 0.655 256 G HN 0.663 nan 8.290 nan 0.000 0.533 257 V N 0.698 120.606 119.914 -0.011 0.000 2.999 257 V HA 0.567 4.687 4.120 -0.000 0.000 0.307 257 V C 0.921 177.011 176.094 -0.007 0.000 1.084 257 V CA 0.648 62.951 62.300 0.006 0.000 1.155 257 V CB 1.227 33.088 31.823 0.062 0.000 0.975 257 V HN 1.564 nan 8.190 nan 0.000 0.490 258 A N 7.259 130.077 122.820 -0.002 0.000 2.312 258 A HA 0.794 5.113 4.320 -0.000 0.000 0.326 258 A C -0.738 176.927 177.584 0.135 0.000 1.172 258 A CA -0.667 51.367 52.037 -0.003 0.000 0.821 258 A CB 0.760 19.651 19.000 -0.181 0.000 1.166 258 A HN 0.660 nan 8.150 nan 0.000 0.493 259 I N 2.778 123.399 120.570 0.084 0.000 2.498 259 I HA 0.251 4.421 4.170 -0.000 0.000 0.290 259 I C -0.578 175.403 176.117 -0.227 0.000 1.032 259 I CA -0.736 60.591 61.300 0.045 0.000 1.073 259 I CB 1.796 39.758 38.000 -0.062 0.000 1.251 259 I HN 0.897 nan 8.210 nan 0.000 0.426 260 N N 3.386 121.910 118.700 -0.294 0.000 2.445 260 N HA 0.083 4.823 4.740 -0.000 0.000 0.264 260 N C 0.784 175.958 175.510 -0.560 0.000 1.227 260 N CA -0.303 52.271 53.050 -0.793 0.000 0.963 260 N CB 0.995 39.140 38.487 -0.569 0.000 1.188 260 N HN 0.576 nan 8.380 nan 0.000 0.491 261 S N 0.363 115.731 115.700 -0.555 0.000 2.428 261 S HA -0.165 4.305 4.470 -0.000 0.000 0.230 261 S C 1.687 175.894 174.600 -0.656 0.000 1.014 261 S CA 0.591 58.510 58.200 -0.468 0.000 0.957 261 S CB -0.342 62.670 63.200 -0.314 0.000 0.784 261 S HN 0.733 nan 8.310 nan 0.000 0.499 262 R N 0.547 120.658 120.500 -0.648 0.000 2.193 262 R HA 0.012 4.351 4.340 -0.000 0.000 0.229 262 R C 2.192 178.153 176.300 -0.565 0.000 1.110 262 R CA 1.022 56.653 56.100 -0.781 0.000 0.988 262 R CB -0.490 29.535 30.300 -0.459 0.000 0.871 262 R HN 0.469 nan 8.270 nan 0.000 0.458 263 L N 0.871 121.811 121.223 -0.471 0.000 2.079 263 L HA -0.087 4.253 4.340 -0.000 0.000 0.210 263 L C 0.243 176.851 176.870 -0.436 0.000 1.081 263 L CA 1.654 56.206 54.840 -0.480 0.000 0.752 263 L CB -0.159 41.492 42.059 -0.681 0.000 0.896 263 L HN 0.034 nan 8.230 nan 0.000 0.433 264 R N 0.516 120.756 120.500 -0.434 0.000 2.312 264 R HA 0.650 4.990 4.340 -0.000 0.000 0.311 264 R C -0.570 175.585 176.300 -0.241 0.000 1.004 264 R CA 0.269 56.163 56.100 -0.342 0.000 0.902 264 R CB 1.173 31.273 30.300 -0.332 0.000 1.073 264 R HN 0.299 nan 8.270 nan 0.000 0.457 265 A N 2.280 124.999 122.820 -0.168 0.000 2.413 265 A HA 0.455 4.775 4.320 -0.000 0.000 0.307 265 A C -0.618 176.948 177.584 -0.029 0.000 1.087 265 A CA -0.845 51.144 52.037 -0.080 0.000 0.750 265 A CB 1.381 20.349 19.000 -0.052 0.000 1.296 265 A HN 0.739 nan 8.150 nan 0.000 0.423 266 D N 0.094 120.510 120.400 0.026 0.000 2.539 266 D HA 0.252 4.892 4.640 -0.000 0.000 0.276 266 D C -0.013 176.383 176.300 0.159 0.000 1.206 266 D CA -0.185 53.874 54.000 0.098 0.000 1.081 266 D CB -0.036 40.807 40.800 0.072 0.000 1.142 266 D HN 0.320 nan 8.370 nan 0.000 0.595 267 D N -0.809 119.727 120.400 0.227 0.000 2.158 267 D HA -0.146 4.494 4.640 -0.000 0.000 0.197 267 D C 1.307 177.698 176.300 0.151 0.000 0.995 267 D CA 1.382 55.535 54.000 0.255 0.000 0.846 267 D CB -0.022 40.878 40.800 0.166 0.000 0.941 267 D HN 0.263 nan 8.370 nan 0.000 0.456 268 K N -0.701 119.760 120.400 0.101 0.000 2.444 268 K HA 0.261 4.581 4.320 -0.000 0.000 0.193 268 K C 1.404 178.042 176.600 0.064 0.000 1.024 268 K CA 0.628 56.959 56.287 0.072 0.000 1.077 268 K CB 0.536 33.068 32.500 0.054 0.000 0.833 268 K HN 0.243 nan 8.250 nan 0.000 0.517 269 G N 1.536 110.376 108.800 0.067 0.000 2.157 269 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.248 269 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.248 269 G C -0.070 174.858 174.900 0.048 0.000 0.979 269 G CA -0.014 45.116 45.100 0.050 0.000 0.650 269 G HN 0.194 nan 8.290 nan 0.000 0.529 270 K N 1.248 121.679 120.400 0.052 0.000 2.412 270 K HA 0.503 4.823 4.320 -0.000 0.000 0.284 270 K C 1.023 177.655 176.600 0.053 0.000 1.046 270 K CA 0.181 56.505 56.287 0.060 0.000 0.999 270 K CB 0.245 32.783 32.500 0.062 0.000 0.941 270 K HN 0.482 nan 8.250 nan 0.000 0.474 271 R N 2.109 122.657 120.500 0.079 0.000 2.598 271 R HA 0.343 4.683 4.340 -0.000 0.000 0.279 271 R C 0.472 176.861 176.300 0.149 0.000 0.984 271 R CA -0.705 55.425 56.100 0.051 0.000 0.999 271 R CB 1.055 31.394 30.300 0.065 0.000 1.114 271 R HN 0.814 nan 8.270 nan 0.000 0.493 272 H N -0.092 118.925 119.070 -0.088 0.000 4.856 272 H HA -0.259 4.296 4.556 -0.000 0.000 0.059 272 H C -0.407 174.689 175.328 -0.387 0.000 0.596 272 H CA 2.136 58.061 56.048 -0.205 0.000 0.946 272 H CB -0.947 28.783 29.762 -0.054 0.000 0.453 272 H HN 0.394 nan 8.280 nan 0.000 0.801 273 F N 3.314 123.263 119.950 -0.002 0.000 2.436 273 F HA 0.270 4.797 4.527 -0.000 0.000 0.340 273 F C 0.819 176.587 175.800 -0.053 0.000 1.113 273 F CA -0.562 57.385 58.000 -0.088 0.000 1.022 273 F CB 1.192 40.115 39.000 -0.130 0.000 1.128 273 F HN 0.205 nan 8.300 nan 0.000 0.466 274 D N 0.330 120.781 120.400 0.085 0.000 2.380 274 D HA 0.047 4.687 4.640 -0.000 0.000 0.254 274 D C 0.951 177.291 176.300 0.066 0.000 1.288 274 D CA -0.381 53.651 54.000 0.052 0.000 1.008 274 D CB 0.213 41.022 40.800 0.015 0.000 1.099 274 D HN 0.324 nan 8.370 nan 0.000 0.537 275 S N -1.137 114.590 115.700 0.045 0.000 2.507 275 S HA -0.062 4.408 4.470 -0.000 0.000 0.235 275 S C 0.898 175.517 174.600 0.032 0.000 0.988 275 S CA 0.266 58.489 58.200 0.038 0.000 0.944 275 S CB -0.433 62.786 63.200 0.032 0.000 0.762 275 S HN 0.409 nan 8.310 nan 0.000 0.526 276 N N 0.542 119.262 118.700 0.033 0.000 2.235 276 N HA 0.169 4.909 4.740 -0.000 0.000 0.209 276 N C 1.077 176.612 175.510 0.042 0.000 1.122 276 N CA 0.583 53.651 53.050 0.030 0.000 0.845 276 N CB 0.686 39.187 38.487 0.023 0.000 1.004 276 N HN 0.438 nan 8.380 nan 0.000 0.499 277 G N 1.250 110.084 108.800 0.057 0.000 2.155 277 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.257 277 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.257 277 G C 0.084 175.074 174.900 0.149 0.000 0.983 277 G CA -0.031 45.108 45.100 0.065 0.000 0.676 277 G HN 0.324 nan 8.290 nan 0.000 0.528 278 R N -0.663 119.916 120.500 0.131 0.000 2.368 278 R HA 0.574 4.913 4.340 -0.000 0.000 0.302 278 R C 0.281 176.578 176.300 -0.005 0.000 1.002 278 R CA -0.999 55.158 56.100 0.095 0.000 0.929 278 R CB 1.460 31.781 30.300 0.035 0.000 1.073 278 R HN 0.221 nan 8.270 nan 0.000 0.464 279 L N 3.531 124.634 121.223 -0.200 0.000 2.462 279 L HA 0.130 4.469 4.340 -0.000 0.000 0.272 279 L C -0.395 176.230 176.870 -0.409 0.000 1.166 279 L CA 0.947 55.362 54.840 -0.708 0.000 0.880 279 L CB 0.372 41.900 42.059 -0.886 0.000 1.142 279 L HN 0.544 nan 8.230 nan 0.000 0.473 280 M N 4.330 123.672 119.600 -0.430 0.000 2.359 280 M HA 0.576 5.056 4.480 -0.000 0.000 0.322 280 M C 0.966 177.068 176.300 -0.330 0.000 1.166 280 M CA 0.220 55.341 55.300 -0.298 0.000 1.067 280 M CB 1.203 33.654 32.600 -0.249 0.000 1.523 280 M HN 0.926 nan 8.290 nan 0.000 0.467 281 G N 1.277 109.913 108.800 -0.272 0.000 2.645 281 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.239 281 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.239 281 G C -0.298 174.470 174.900 -0.219 0.000 1.331 281 G CA -0.050 44.884 45.100 -0.277 0.000 0.890 281 G HN 0.796 nan 8.290 nan 0.000 0.572 282 D N -0.521 119.757 120.400 -0.203 0.000 2.417 282 D HA 0.268 4.908 4.640 -0.000 0.000 0.207 282 D C 0.575 176.925 176.300 0.084 0.000 1.075 282 D CA 1.839 55.803 54.000 -0.059 0.000 0.851 282 D CB 0.581 41.364 40.800 -0.028 0.000 0.976 282 D HN 0.683 nan 8.370 nan 0.000 0.505 283 Y N -1.484 118.784 120.300 -0.053 0.000 2.565 283 Y HA 0.369 4.919 4.550 -0.000 0.000 0.330 283 Y C -0.914 175.097 175.900 0.186 0.000 1.150 283 Y CA -1.281 56.888 58.100 0.115 0.000 1.055 283 Y CB 0.794 39.308 38.460 0.090 0.000 1.337 283 Y HN -0.366 nan 8.280 nan 0.000 0.457 284 E N 2.331 122.814 120.200 0.472 0.000 2.290 284 E HA 0.386 4.736 4.350 -0.000 0.000 0.277 284 E C -0.883 176.111 176.600 0.655 0.000 1.035 284 E CA -0.193 56.443 56.400 0.392 0.000 0.873 284 E CB 0.914 30.943 29.700 0.548 0.000 1.029 284 E HN 0.711 nan 8.360 nan 0.000 0.419 285 S N 2.175 118.140 115.700 0.442 0.000 2.449 285 S HA 0.717 5.187 4.470 -0.000 0.000 0.310 285 S C 0.259 175.151 174.600 0.486 0.000 1.096 285 S CA -0.222 58.359 58.200 0.636 0.000 1.095 285 S CB 1.650 65.172 63.200 0.537 0.000 1.007 285 S HN 0.646 nan 8.310 nan 0.000 0.474 286 G N 1.471 110.586 108.800 0.525 0.000 2.500 286 G HA2 0.011 3.971 3.960 -0.000 0.000 0.227 286 G HA3 0.011 3.971 3.960 -0.000 0.000 0.227 286 G C -0.828 174.046 174.900 -0.044 0.000 1.157 286 G CA -0.762 44.483 45.100 0.241 0.000 0.945 286 G HN 0.649 nan 8.290 nan 0.000 0.518 287 Y N 0.891 121.446 120.300 0.426 0.000 2.723 287 Y HA 0.426 4.976 4.550 -0.000 0.000 0.374 287 Y C 1.543 177.620 175.900 0.296 0.000 1.062 287 Y CA -0.509 57.768 58.100 0.296 0.000 1.321 287 Y CB 0.770 39.388 38.460 0.264 0.000 1.405 287 Y HN 0.281 nan 8.280 nan 0.000 0.583 288 E N 0.412 120.836 120.200 0.373 0.000 2.072 288 E HA -0.156 4.194 4.350 -0.000 0.000 0.190 288 E C 2.069 178.825 176.600 0.259 0.000 0.982 288 E CA 1.216 57.853 56.400 0.394 0.000 0.803 288 E CB 0.112 30.110 29.700 0.497 0.000 0.755 288 E HN 0.602 nan 8.360 nan 0.000 0.453 289 R N 0.155 120.774 120.500 0.198 0.000 2.066 289 R HA 0.077 4.417 4.340 -0.000 0.000 0.232 289 R C 1.249 177.609 176.300 0.100 0.000 1.131 289 R CA 1.451 57.625 56.100 0.123 0.000 0.955 289 R CB -0.001 30.349 30.300 0.083 0.000 0.851 289 R HN -0.066 nan 8.270 nan 0.000 0.432 290 R N -0.306 120.269 120.500 0.125 0.000 2.528 290 R HA 0.090 4.430 4.340 -0.000 0.000 0.073 290 R C -1.349 175.100 176.300 0.248 0.000 0.567 290 R CA -0.139 56.064 56.100 0.172 0.000 0.742 290 R CB -0.578 29.832 30.300 0.184 0.000 0.922 290 R HN 0.163 nan 8.270 nan 0.000 0.597 291 L N 2.134 123.409 121.223 0.087 0.000 2.436 291 L HA 0.440 4.780 4.340 -0.000 0.000 0.265 291 L C -1.729 175.043 176.870 -0.163 0.000 1.168 291 L CA -1.761 53.016 54.840 -0.105 0.000 0.815 291 L CB 0.587 42.390 42.059 -0.426 0.000 1.109 291 L HN 0.058 nan 8.230 nan 0.000 0.462 292 P HA -0.031 nan 4.420 nan 0.000 0.268 292 P C -0.821 176.476 177.300 -0.005 0.000 1.205 292 P CA -0.198 62.709 63.100 -0.322 0.000 0.771 292 P CB 0.365 31.651 31.700 -0.690 0.000 0.858 293 D N 4.126 124.531 120.400 0.008 0.000 2.417 293 D HA 0.013 4.653 4.640 -0.000 0.000 0.250 293 D C -1.463 174.861 176.300 0.040 0.000 1.166 293 D CA -1.517 52.516 54.000 0.054 0.000 0.881 293 D CB 0.865 41.677 40.800 0.019 0.000 1.164 293 D HN 0.148 nan 8.370 nan 0.000 0.467 294 P HA -0.068 nan 4.420 nan 0.000 0.230 294 P C 1.123 178.433 177.300 0.017 0.000 1.158 294 P CA 0.367 63.480 63.100 0.022 0.000 0.769 294 P CB 0.457 32.124 31.700 -0.055 0.000 0.807 295 V N -0.537 119.375 119.914 -0.003 0.000 2.908 295 V HA 0.069 4.189 4.120 -0.000 0.000 0.240 295 V C 1.957 178.047 176.094 -0.007 0.000 1.117 295 V CA 1.217 63.517 62.300 -0.000 0.000 1.133 295 V CB -0.412 31.403 31.823 -0.013 0.000 0.857 295 V HN 0.052 nan 8.190 nan 0.000 0.478 296 K N -0.207 120.184 120.400 -0.015 0.000 2.352 296 K HA 0.121 4.441 4.320 -0.000 0.000 0.194 296 K C 0.148 176.726 176.600 -0.038 0.000 1.038 296 K CA 0.464 56.740 56.287 -0.019 0.000 1.023 296 K CB 0.321 32.814 32.500 -0.012 0.000 0.840 296 K HN 0.303 nan 8.250 nan 0.000 0.519 297 D N 1.075 121.439 120.400 -0.060 0.000 2.643 297 D HA 0.126 4.766 4.640 -0.000 0.000 0.244 297 D C 1.043 177.232 176.300 -0.185 0.000 1.257 297 D CA 0.011 53.948 54.000 -0.105 0.000 0.831 297 D CB 0.384 41.115 40.800 -0.115 0.000 1.043 297 D HN 0.031 nan 8.370 nan 0.000 0.488 298 L N 0.701 121.824 121.223 -0.165 0.000 2.456 298 L HA -0.144 4.196 4.340 -0.000 0.000 0.224 298 L C 2.534 179.205 176.870 -0.332 0.000 1.148 298 L CA 0.792 55.477 54.840 -0.258 0.000 0.825 298 L CB -0.353 41.597 42.059 -0.182 0.000 0.937 298 L HN 0.102 nan 8.230 nan 0.000 0.450 299 K N 0.777 121.017 120.400 -0.267 0.000 2.089 299 K HA -0.225 4.095 4.320 -0.000 0.000 0.210 299 K C 1.834 177.940 176.600 -0.824 0.000 1.048 299 K CA 2.181 58.263 56.287 -0.341 0.000 0.926 299 K CB -1.196 31.233 32.500 -0.118 0.000 0.714 299 K HN 0.326 nan 8.250 nan 0.000 0.448 300 V N 0.799 120.218 119.914 -0.826 0.000 2.660 300 V HA -0.242 3.878 4.120 -0.000 0.000 0.257 300 V C 2.466 178.015 176.094 -0.909 0.000 1.088 300 V CA 2.224 63.805 62.300 -1.198 0.000 1.106 300 V CB -1.831 29.354 31.823 -1.063 0.000 0.686 300 V HN 0.630 nan 8.190 nan 0.000 0.481 301 T N -1.938 112.268 114.554 -0.581 0.000 3.051 301 T HA -0.133 4.217 4.350 -0.000 0.000 0.269 301 T C 1.674 176.248 174.700 -0.210 0.000 1.127 301 T CA 1.454 63.358 62.100 -0.326 0.000 1.107 301 T CB -0.483 68.059 68.868 -0.542 0.000 0.898 301 T HN 0.675 nan 8.240 nan 0.000 0.517 302 Q N 0.016 119.599 119.800 -0.363 0.000 2.424 302 Q HA 0.197 4.537 4.340 -0.000 0.000 0.204 302 Q C -0.123 175.997 176.000 0.199 0.000 0.933 302 Q CA 0.116 55.882 55.803 -0.062 0.000 0.929 302 Q CB 0.103 28.856 28.738 0.025 0.000 1.037 302 Q HN 0.928 nan 8.270 nan 0.000 0.511 303 W N -0.913 120.534 121.300 0.245 0.000 3.031 303 W HA 0.505 5.164 4.660 -0.000 0.000 0.337 303 W C -1.125 175.623 176.519 0.383 0.000 1.187 303 W CA -1.266 56.244 57.345 0.274 0.000 1.166 303 W CB 0.572 30.194 29.460 0.269 0.000 1.437 303 W HN -0.319 nan 8.180 nan 0.000 0.551 304 D N 2.378 123.120 120.400 0.570 0.000 2.414 304 D HA 0.128 4.768 4.640 -0.000 0.000 0.242 304 D C -0.067 176.709 176.300 0.793 0.000 1.129 304 D CA 0.809 55.104 54.000 0.492 0.000 0.885 304 D CB 0.544 41.531 40.800 0.313 0.000 1.198 304 D HN 0.580 nan 8.370 nan 0.000 0.437 305 W N 0.604 122.214 121.300 0.517 0.000 3.074 305 W HA 0.544 5.204 4.660 0.000 0.000 0.332 305 W C -1.377 175.489 176.519 0.577 0.000 1.253 305 W CA -0.889 56.849 57.345 0.653 0.000 1.180 305 W CB 1.085 30.947 29.460 0.670 0.000 1.445 305 W HN 0.291 nan 8.180 nan 0.000 0.573 306 E N 1.395 122.118 120.200 0.871 0.000 2.278 306 E HA 0.575 4.925 4.350 -0.000 0.000 0.272 306 E C -1.480 175.602 176.600 0.803 0.000 0.890 306 E CA -0.497 56.255 56.400 0.587 0.000 0.770 306 E CB 2.286 32.371 29.700 0.641 0.000 1.212 306 E HN 0.648 nan 8.360 nan 0.000 0.415 307 A N 3.087 126.263 122.820 0.593 0.000 2.305 307 A HA 0.624 4.944 4.320 -0.000 0.000 0.322 307 A C -0.716 177.160 177.584 0.487 0.000 1.187 307 A CA -0.552 51.874 52.037 0.648 0.000 0.825 307 A CB 0.736 20.087 19.000 0.586 0.000 1.164 307 A HN 0.697 nan 8.150 nan 0.000 0.498 308 C N 2.371 122.004 119.300 0.555 0.000 2.456 308 C HA 0.854 5.314 4.460 -0.000 0.000 0.325 308 C C 0.083 175.357 174.990 0.473 0.000 1.217 308 C CA -0.468 58.866 59.018 0.526 0.000 1.687 308 C CB 0.360 28.478 27.740 0.629 0.000 2.270 308 C HN 0.936 nan 8.230 nan 0.000 0.499 309 M N 1.210 120.961 119.600 0.251 0.000 2.484 309 M HA 0.684 5.164 4.480 -0.000 0.000 0.289 309 M C -0.346 175.722 176.300 -0.386 0.000 1.206 309 M CA -0.196 55.080 55.300 -0.040 0.000 0.892 309 M CB 1.840 34.418 32.600 -0.037 0.000 1.712 309 M HN 0.619 nan 8.290 nan 0.000 0.462 310 T N -0.601 113.541 114.554 -0.687 0.000 2.922 310 T HA 0.550 4.900 4.350 -0.000 0.000 0.285 310 T C 0.922 175.302 174.700 -0.534 0.000 1.005 310 T CA -0.848 60.770 62.100 -0.804 0.000 1.061 310 T CB 1.349 69.571 68.868 -1.075 0.000 1.007 310 T HN 0.722 nan 8.240 nan 0.000 0.502 311 I N 0.967 121.212 120.570 -0.541 0.000 2.162 311 I HA 0.081 4.251 4.170 -0.000 0.000 0.238 311 I C -1.406 174.314 176.117 -0.662 0.000 1.076 311 I CA -0.048 60.938 61.300 -0.523 0.000 1.353 311 I CB -1.009 36.733 38.000 -0.430 0.000 1.063 311 I HN 0.467 nan 8.210 nan 0.000 0.408 312 P HA -0.010 nan 4.420 nan 0.000 0.297 312 P C 0.590 177.572 177.300 -0.530 0.000 1.303 312 P CA -0.017 62.581 63.100 -0.837 0.000 0.753 312 P CB 0.396 31.401 31.700 -1.159 0.000 1.281 313 E N -0.347 119.624 120.200 -0.381 0.000 2.051 313 E HA -0.216 4.133 4.350 -0.000 0.000 0.192 313 E C 0.335 176.770 176.600 -0.274 0.000 0.991 313 E CA 1.314 57.566 56.400 -0.247 0.000 0.799 313 E CB -0.118 29.489 29.700 -0.155 0.000 0.748 313 E HN 0.227 nan 8.360 nan 0.000 0.449 314 N N 0.284 118.806 118.700 -0.296 0.000 2.620 314 N HA 0.040 4.780 4.740 -0.000 0.000 0.277 314 N C -1.928 173.450 175.510 -0.220 0.000 1.726 314 N CA -0.173 52.730 53.050 -0.244 0.000 0.840 314 N CB 0.711 39.151 38.487 -0.077 0.000 1.379 314 N HN -0.016 nan 8.380 nan 0.000 0.506 315 Q N 0.201 119.775 119.800 -0.376 0.000 2.341 315 Q HA 0.262 4.602 4.340 -0.000 0.000 0.268 315 Q C 0.033 175.859 176.000 -0.290 0.000 1.013 315 Q CA -0.366 55.330 55.803 -0.180 0.000 0.798 315 Q CB 1.205 29.883 28.738 -0.099 0.000 1.253 315 Q HN 0.423 nan 8.270 nan 0.000 0.457 316 W N 1.850 123.090 121.300 -0.100 0.000 2.678 316 W HA 0.218 4.877 4.660 -0.000 0.000 0.282 316 W C 1.382 177.851 176.519 -0.083 0.000 1.137 316 W CA 0.374 57.526 57.345 -0.322 0.000 1.515 316 W CB -0.157 28.778 29.460 -0.875 0.000 1.101 316 W HN 0.642 nan 8.180 nan 0.000 0.564 317 G N -0.273 108.656 108.800 0.215 0.000 2.634 317 G HA2 0.087 4.047 3.960 -0.000 0.000 0.255 317 G HA3 0.087 4.047 3.960 -0.000 0.000 0.255 317 G C -1.376 173.851 174.900 0.545 0.000 1.205 317 G CA -0.591 44.767 45.100 0.431 0.000 0.884 317 G HN 0.062 nan 8.290 nan 0.000 0.549 318 Y N 0.930 121.556 120.300 0.542 0.000 2.544 318 Y HA 0.223 4.773 4.550 -0.000 0.000 0.330 318 Y C 0.359 176.518 175.900 0.431 0.000 1.136 318 Y CA 0.064 58.420 58.100 0.425 0.000 1.417 318 Y CB 0.244 38.903 38.460 0.332 0.000 1.229 318 Y HN 0.506 nan 8.280 nan 0.000 0.532 319 H N 7.061 125.973 119.070 -0.264 0.000 2.529 319 H HA 0.206 4.762 4.556 -0.000 0.000 0.348 319 H C 0.301 175.285 175.328 -0.574 0.000 1.079 319 H CA -0.563 55.411 56.048 -0.124 0.000 1.198 319 H CB 1.843 31.704 29.762 0.166 0.000 1.521 319 H HN 0.922 nan 8.280 nan 0.000 0.514 320 K N 2.102 122.360 120.400 -0.237 0.000 2.362 320 K HA -0.065 4.254 4.320 -0.000 0.000 0.200 320 K C -0.291 176.350 176.600 0.068 0.000 1.046 320 K CA 0.984 57.219 56.287 -0.087 0.000 0.952 320 K CB 0.504 33.080 32.500 0.126 0.000 0.753 320 K HN 0.160 nan 8.250 nan 0.000 0.466 321 D N -0.271 120.344 120.400 0.358 0.000 2.375 321 D HA 0.096 4.736 4.640 -0.000 0.000 0.259 321 D C -0.560 175.912 176.300 0.286 0.000 1.235 321 D CA -0.734 53.429 54.000 0.271 0.000 0.924 321 D CB 0.190 41.137 40.800 0.245 0.000 1.143 321 D HN 0.098 nan 8.370 nan 0.000 0.529 322 W N 1.919 123.188 121.300 -0.052 0.000 2.699 322 W HA -0.023 4.637 4.660 -0.000 0.000 0.249 322 W C 2.257 178.708 176.519 -0.112 0.000 1.280 322 W CA 0.649 57.922 57.345 -0.119 0.000 1.345 322 W CB -0.694 28.699 29.460 -0.111 0.000 1.128 322 W HN 0.485 nan 8.180 nan 0.000 0.642 323 S N -0.579 115.200 115.700 0.132 0.000 2.507 323 S HA -0.125 4.345 4.470 -0.000 0.000 0.235 323 S C 1.687 176.288 174.600 0.001 0.000 0.988 323 S CA 0.737 58.967 58.200 0.050 0.000 0.944 323 S CB -0.626 62.606 63.200 0.052 0.000 0.762 323 S HN 0.301 nan 8.310 nan 0.000 0.526 324 L N 1.695 122.903 121.223 -0.025 0.000 2.465 324 L HA 0.142 4.482 4.340 -0.000 0.000 0.224 324 L C 1.159 177.969 176.870 -0.101 0.000 1.145 324 L CA 0.550 55.349 54.840 -0.068 0.000 0.834 324 L CB -0.353 41.643 42.059 -0.105 0.000 0.944 324 L HN 0.609 nan 8.230 nan 0.000 0.451 325 S N -3.058 112.566 115.700 -0.128 0.000 2.596 325 S HA 0.262 4.732 4.470 -0.000 0.000 0.270 325 S C -1.023 173.502 174.600 -0.126 0.000 1.155 325 S CA -0.855 57.269 58.200 -0.127 0.000 0.827 325 S CB 0.958 64.043 63.200 -0.192 0.000 1.130 325 S HN 0.031 nan 8.310 nan 0.000 0.467 326 Y N 1.913 122.110 120.300 -0.171 0.000 2.632 326 Y HA 0.440 4.989 4.550 -0.000 0.000 0.329 326 Y C -0.390 175.372 175.900 -0.230 0.000 1.174 326 Y CA 0.218 58.223 58.100 -0.159 0.000 1.469 326 Y CB 0.364 38.747 38.460 -0.128 0.000 1.242 326 Y HN 0.575 nan 8.280 nan 0.000 0.540 327 V N 7.777 127.081 119.914 -1.016 0.000 2.394 327 V HA 0.239 4.359 4.120 -0.000 0.000 0.282 327 V C -0.205 175.335 176.094 -0.924 0.000 1.031 327 V CA -1.165 60.648 62.300 -0.811 0.000 0.881 327 V CB 1.172 32.716 31.823 -0.464 0.000 0.982 327 V HN 0.657 nan 8.190 nan 0.000 0.451 328 K N 2.701 122.800 120.400 -0.501 0.000 2.326 328 K HA 0.354 4.673 4.320 -0.000 0.000 0.275 328 K C 0.635 177.137 176.600 -0.163 0.000 1.018 328 K CA -0.194 55.966 56.287 -0.212 0.000 0.962 328 K CB 0.665 33.098 32.500 -0.111 0.000 0.953 328 K HN 0.875 nan 8.250 nan 0.000 0.475 329 T N -0.424 114.099 114.554 -0.052 0.000 2.874 329 T HA 0.167 4.517 4.350 -0.000 0.000 0.281 329 T C -1.901 172.787 174.700 -0.020 0.000 0.994 329 T CA -1.896 60.191 62.100 -0.022 0.000 1.015 329 T CB 1.141 70.025 68.868 0.027 0.000 1.028 329 T HN 0.218 nan 8.240 nan 0.000 0.523 330 P HA -0.030 nan 4.420 nan 0.000 0.215 330 P C 1.587 178.861 177.300 -0.043 0.000 1.157 330 P CA 1.023 64.114 63.100 -0.016 0.000 0.874 330 P CB -0.092 31.617 31.700 0.014 0.000 0.790 331 I N -0.627 119.930 120.570 -0.021 0.000 2.361 331 I HA -0.220 3.950 4.170 -0.000 0.000 0.251 331 I C 2.174 178.292 176.117 0.001 0.000 1.133 331 I CA 1.426 62.717 61.300 -0.016 0.000 1.413 331 I CB -0.575 37.446 38.000 0.036 0.000 1.073 331 I HN 0.024 nan 8.210 nan 0.000 0.424 332 E N 0.175 120.373 120.200 -0.003 0.000 2.110 332 E HA -0.165 4.184 4.350 -0.000 0.000 0.193 332 E C 2.307 178.866 176.600 -0.068 0.000 0.988 332 E CA 1.155 57.543 56.400 -0.019 0.000 0.804 332 E CB 0.048 29.764 29.700 0.026 0.000 0.745 332 E HN 0.316 nan 8.360 nan 0.000 0.458 333 V N 1.179 121.047 119.914 -0.077 0.000 2.379 333 V HA -0.211 3.909 4.120 -0.000 0.000 0.245 333 V C 2.188 178.205 176.094 -0.128 0.000 1.044 333 V CA 1.298 63.538 62.300 -0.100 0.000 1.036 333 V CB -0.291 31.474 31.823 -0.096 0.000 0.664 333 V HN 0.246 nan 8.190 nan 0.000 0.453 334 I N 0.279 120.757 120.570 -0.153 0.000 2.286 334 I HA -0.252 3.918 4.170 -0.000 0.000 0.248 334 I C 2.475 178.461 176.117 -0.219 0.000 1.115 334 I CA 1.829 62.983 61.300 -0.243 0.000 1.392 334 I CB -0.454 37.250 38.000 -0.493 0.000 1.065 334 I HN 0.407 nan 8.210 nan 0.000 0.418 335 D N 1.285 121.532 120.400 -0.254 0.000 2.104 335 D HA -0.216 4.424 4.640 -0.000 0.000 0.194 335 D C 2.305 178.359 176.300 -0.411 0.000 0.994 335 D CA 1.608 55.215 54.000 -0.655 0.000 0.830 335 D CB 0.050 40.522 40.800 -0.547 0.000 0.959 335 D HN 0.284 nan 8.370 nan 0.000 0.452 336 R N -0.002 120.364 120.500 -0.223 0.000 2.091 336 R HA -0.100 4.240 4.340 -0.000 0.000 0.238 336 R C 2.703 178.903 176.300 -0.166 0.000 1.136 336 R CA 1.137 57.141 56.100 -0.161 0.000 0.959 336 R CB -0.290 29.945 30.300 -0.108 0.000 0.856 336 R HN 0.319 nan 8.270 nan 0.000 0.437 337 I N 0.110 120.587 120.570 -0.154 0.000 2.127 337 I HA -0.301 3.869 4.170 -0.000 0.000 0.241 337 I C 2.243 178.275 176.117 -0.141 0.000 1.075 337 I CA 1.352 62.579 61.300 -0.121 0.000 1.334 337 I CB -0.393 37.552 38.000 -0.091 0.000 1.040 337 I HN -0.016 nan 8.210 nan 0.000 0.405 338 V N 0.224 120.028 119.914 -0.184 0.000 2.343 338 V HA -0.346 3.774 4.120 -0.000 0.000 0.247 338 V C 2.440 178.275 176.094 -0.432 0.000 1.051 338 V CA 2.323 64.513 62.300 -0.183 0.000 1.036 338 V CB -1.049 30.786 31.823 0.019 0.000 0.654 338 V HN 0.523 nan 8.190 nan 0.000 0.451 339 H N 0.243 118.779 119.070 -0.889 0.000 2.319 339 H HA -0.229 4.327 4.556 -0.000 0.000 0.297 339 H C 2.251 177.416 175.328 -0.271 0.000 1.097 339 H CA 1.658 57.157 56.048 -0.914 0.000 1.285 339 H CB 0.052 29.445 29.762 -0.615 0.000 1.368 339 H HN 0.425 nan 8.280 nan 0.000 0.495 340 A N 0.161 122.973 122.820 -0.013 0.000 1.877 340 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 340 A C 2.666 180.219 177.584 -0.052 0.000 1.186 340 A CA 1.610 53.654 52.037 0.012 0.000 0.620 340 A CB -0.857 18.045 19.000 -0.163 0.000 0.822 340 A HN 0.334 nan 8.150 nan 0.000 0.443 341 V N 1.136 121.009 119.914 -0.069 0.000 2.343 341 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 341 V C 2.962 179.116 176.094 0.099 0.000 1.051 341 V CA 2.362 64.651 62.300 -0.018 0.000 1.036 341 V CB -1.034 30.785 31.823 -0.006 0.000 0.654 341 V HN 0.828 nan 8.190 nan 0.000 0.451 342 S N -0.410 115.361 115.700 0.117 0.000 2.442 342 S HA -0.121 4.349 4.470 -0.000 0.000 0.236 342 S C 1.533 176.353 174.600 0.368 0.000 1.007 342 S CA 1.484 59.827 58.200 0.237 0.000 0.965 342 S CB -0.435 62.894 63.200 0.214 0.000 0.773 342 S HN 0.595 nan 8.310 nan 0.000 0.504 343 M N 0.722 120.529 119.600 0.345 0.000 2.576 343 M HA 0.355 4.835 4.480 -0.000 0.000 0.322 343 M C 1.088 177.635 176.300 0.412 0.000 1.184 343 M CA 0.304 55.819 55.300 0.358 0.000 0.967 343 M CB 0.861 33.678 32.600 0.361 0.000 1.372 343 M HN 0.499 nan 8.290 nan 0.000 0.509 344 G N 0.635 109.595 108.800 0.267 0.000 2.137 344 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.237 344 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.237 344 G C 0.071 174.870 174.900 -0.168 0.000 1.002 344 G CA -0.089 45.103 45.100 0.153 0.000 0.702 344 G HN 0.633 nan 8.290 nan 0.000 0.515 345 G N -0.792 107.649 108.800 -0.598 0.000 2.511 345 G HA2 0.618 4.577 3.960 -0.000 0.000 0.318 345 G HA3 0.618 4.577 3.960 -0.000 0.000 0.318 345 G C -0.445 173.978 174.900 -0.795 0.000 1.210 345 G CA -0.729 43.377 45.100 -1.657 0.000 0.969 345 G HN 0.242 nan 8.290 nan 0.000 0.484 346 N N -0.538 117.820 118.700 -0.570 0.000 2.493 346 N HA 0.635 5.375 4.740 -0.000 0.000 0.275 346 N C -0.343 175.079 175.510 -0.148 0.000 1.186 346 N CA -0.395 52.525 53.050 -0.217 0.000 0.978 346 N CB 1.683 40.135 38.487 -0.060 0.000 1.184 346 N HN 0.444 nan 8.380 nan 0.000 0.487 347 M N 1.100 120.670 119.600 -0.051 0.000 2.395 347 M HA 0.518 4.997 4.480 -0.000 0.000 0.307 347 M C -1.964 174.333 176.300 -0.005 0.000 1.091 347 M CA -0.779 54.523 55.300 0.003 0.000 0.919 347 M CB 1.593 34.172 32.600 -0.035 0.000 1.662 347 M HN 0.179 nan 8.290 nan 0.000 0.440 348 V N 5.403 125.353 119.914 0.061 0.000 2.444 348 V HA 0.559 4.679 4.120 -0.000 0.000 0.294 348 V C -0.829 175.324 176.094 0.099 0.000 1.022 348 V CA -0.902 61.409 62.300 0.018 0.000 0.850 348 V CB 1.658 33.521 31.823 0.066 0.000 0.992 348 V HN 0.684 nan 8.190 nan 0.000 0.426 349 V N 4.334 124.272 119.914 0.039 0.000 2.406 349 V HA 0.285 4.405 4.120 -0.000 0.000 0.272 349 V C 0.351 176.458 176.094 0.022 0.000 1.043 349 V CA -0.464 61.822 62.300 -0.023 0.000 0.915 349 V CB 1.381 33.151 31.823 -0.088 0.000 0.988 349 V HN 0.948 nan 8.190 nan 0.000 0.466 350 N N 3.792 122.470 118.700 -0.038 0.000 2.529 350 N HA 0.456 5.196 4.740 -0.000 0.000 0.278 350 N C -1.196 174.189 175.510 -0.207 0.000 1.146 350 N CA -0.002 53.112 53.050 0.108 0.000 0.980 350 N CB 0.505 39.047 38.487 0.091 0.000 1.124 350 N HN 0.411 nan 8.380 nan 0.000 0.458 351 F N 0.284 120.411 119.950 0.295 0.000 2.551 351 F HA 0.503 5.030 4.527 -0.000 0.000 0.316 351 F C 0.880 176.905 175.800 0.375 0.000 1.089 351 F CA -0.982 57.210 58.000 0.319 0.000 0.915 351 F CB 2.430 41.627 39.000 0.329 0.000 1.186 351 F HN 0.512 nan 8.300 nan 0.000 0.456 352 G N 3.172 112.290 108.800 0.529 0.000 3.039 352 G HA2 0.550 4.510 3.960 -0.000 0.000 0.329 352 G HA3 0.550 4.510 3.960 -0.000 0.000 0.329 352 G C -3.083 172.028 174.900 0.350 0.000 1.361 352 G CA -1.631 43.776 45.100 0.510 0.000 1.088 352 G HN 0.183 nan 8.290 nan 0.000 0.501 353 P HA 0.050 nan 4.420 nan 0.000 0.269 353 P C 0.281 177.459 177.300 -0.202 0.000 1.215 353 P CA -0.024 62.718 63.100 -0.596 0.000 0.780 353 P CB 0.773 31.593 31.700 -1.467 0.000 0.898 354 Q N 0.717 120.300 119.800 -0.361 0.000 2.454 354 Q HA 0.215 4.554 4.340 -0.000 0.000 0.247 354 Q C 1.562 177.532 176.000 -0.051 0.000 1.028 354 Q CA -0.143 55.378 55.803 -0.470 0.000 0.910 354 Q CB 0.236 28.682 28.738 -0.488 0.000 1.276 354 Q HN 0.461 nan 8.270 nan 0.000 0.489 355 A N 1.980 124.712 122.820 -0.146 0.000 1.986 355 A HA -0.239 4.081 4.320 -0.000 0.000 0.220 355 A C 1.402 178.880 177.584 -0.176 0.000 1.171 355 A CA 2.116 54.086 52.037 -0.112 0.000 0.640 355 A CB -0.516 18.378 19.000 -0.176 0.000 0.811 355 A HN 0.904 nan 8.150 nan 0.000 0.451 356 D N -2.244 118.074 120.400 -0.136 0.000 2.363 356 D HA 0.232 4.872 4.640 -0.000 0.000 0.220 356 D C 1.204 177.502 176.300 -0.005 0.000 0.994 356 D CA 1.125 55.058 54.000 -0.110 0.000 0.890 356 D CB -0.579 40.164 40.800 -0.094 0.000 0.906 356 D HN 0.891 nan 8.370 nan 0.000 0.530 357 G N -0.106 108.754 108.800 0.100 0.000 2.176 357 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.232 357 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.232 357 G C -0.171 174.815 174.900 0.143 0.000 0.986 357 G CA 0.170 45.380 45.100 0.183 0.000 0.643 357 G HN 0.566 nan 8.290 nan 0.000 0.522 358 D N -0.625 119.736 120.400 -0.066 0.000 2.384 358 D HA 0.703 5.343 4.640 -0.000 0.000 0.250 358 D C -0.165 175.891 176.300 -0.407 0.000 1.029 358 D CA -0.697 53.241 54.000 -0.103 0.000 0.990 358 D CB 0.703 41.497 40.800 -0.011 0.000 1.175 358 D HN -0.030 nan 8.370 nan 0.000 0.532 359 F N 0.786 120.616 119.950 -0.200 0.000 2.421 359 F HA 0.346 4.873 4.527 -0.000 0.000 0.337 359 F C 1.145 176.886 175.800 -0.099 0.000 1.105 359 F CA -1.017 56.870 58.000 -0.188 0.000 1.049 359 F CB 1.000 39.849 39.000 -0.252 0.000 1.139 359 F HN 0.152 nan 8.300 nan 0.000 0.479 360 R N 4.069 124.621 120.500 0.086 0.000 2.811 360 R HA 0.110 4.449 4.340 -0.000 0.000 0.265 360 R C -2.128 174.182 176.300 0.016 0.000 1.026 360 R CA -0.951 55.159 56.100 0.017 0.000 1.142 360 R CB -0.221 30.034 30.300 -0.075 0.000 1.027 360 R HN 0.300 nan 8.270 nan 0.000 0.465 361 P HA -0.137 nan 4.420 nan 0.000 0.217 361 P C 0.415 177.724 177.300 0.014 0.000 1.150 361 P CA 1.327 64.429 63.100 0.003 0.000 0.832 361 P CB 0.129 31.827 31.700 -0.003 0.000 0.787 362 E N 0.411 120.599 120.200 -0.021 0.000 2.118 362 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 362 E C 2.082 178.754 176.600 0.120 0.000 0.992 362 E CA 1.320 57.750 56.400 0.050 0.000 0.804 362 E CB -0.591 29.150 29.700 0.068 0.000 0.741 362 E HN 0.462 nan 8.360 nan 0.000 0.458 363 E N 0.460 120.734 120.200 0.124 0.000 2.072 363 E HA -0.102 4.248 4.350 -0.000 0.000 0.190 363 E C 1.890 178.624 176.600 0.224 0.000 0.982 363 E CA 0.713 57.286 56.400 0.289 0.000 0.803 363 E CB 0.009 29.995 29.700 0.477 0.000 0.755 363 E HN 0.153 nan 8.360 nan 0.000 0.453 364 K N 0.705 121.161 120.400 0.094 0.000 2.097 364 K HA -0.124 4.196 4.320 -0.000 0.000 0.206 364 K C 2.165 178.784 176.600 0.032 0.000 1.049 364 K CA 1.135 57.425 56.287 0.004 0.000 0.933 364 K CB -0.113 32.382 32.500 -0.007 0.000 0.717 364 K HN 0.035 nan 8.250 nan 0.000 0.442 365 A N 1.193 124.047 122.820 0.056 0.000 1.898 365 A HA -0.187 4.132 4.320 -0.000 0.000 0.216 365 A C 2.127 179.755 177.584 0.072 0.000 1.181 365 A CA 1.460 53.530 52.037 0.055 0.000 0.620 365 A CB -0.405 18.626 19.000 0.052 0.000 0.819 365 A HN 0.234 nan 8.150 nan 0.000 0.442 366 M N 0.507 120.168 119.600 0.102 0.000 2.065 366 M HA -0.088 4.392 4.480 -0.000 0.000 0.259 366 M C 2.175 178.551 176.300 0.126 0.000 1.069 366 M CA 2.008 57.370 55.300 0.102 0.000 1.110 366 M CB -0.760 31.897 32.600 0.095 0.000 1.328 366 M HN 0.365 nan 8.290 nan 0.000 0.405 367 A N -1.383 121.539 122.820 0.170 0.000 1.933 367 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 367 A C 2.216 179.833 177.584 0.054 0.000 1.175 367 A CA 2.358 54.465 52.037 0.118 0.000 0.628 367 A CB -1.428 17.539 19.000 -0.055 0.000 0.814 367 A HN 0.607 nan 8.150 nan 0.000 0.444 368 T N 0.161 114.737 114.554 0.036 0.000 2.737 368 T HA 0.011 4.361 4.350 -0.000 0.000 0.265 368 T C 2.257 176.997 174.700 0.067 0.000 1.038 368 T CA 1.568 63.688 62.100 0.034 0.000 1.144 368 T CB -0.450 68.429 68.868 0.019 0.000 0.866 368 T HN 0.596 nan 8.240 nan 0.000 0.434 369 A N 1.151 124.019 122.820 0.079 0.000 1.902 369 A HA -0.021 4.299 4.320 -0.000 0.000 0.217 369 A C 2.286 179.958 177.584 0.146 0.000 1.181 369 A CA 1.221 53.320 52.037 0.103 0.000 0.623 369 A CB -0.792 18.258 19.000 0.082 0.000 0.818 369 A HN 0.525 nan 8.150 nan 0.000 0.443 370 I N -0.319 120.327 120.570 0.127 0.000 2.179 370 I HA -0.210 3.960 4.170 -0.000 0.000 0.242 370 I C 2.742 178.979 176.117 0.200 0.000 1.088 370 I CA 1.156 62.550 61.300 0.158 0.000 1.357 370 I CB -0.790 37.277 38.000 0.112 0.000 1.051 370 I HN 0.397 nan 8.210 nan 0.000 0.409 371 G N 1.026 109.909 108.800 0.137 0.000 2.440 371 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.218 371 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.218 371 G C 1.749 176.720 174.900 0.119 0.000 1.154 371 G CA 0.733 45.901 45.100 0.115 0.000 0.767 371 G HN 0.332 nan 8.290 nan 0.000 0.552 372 K N -0.993 119.480 120.400 0.122 0.000 2.057 372 K HA -0.114 4.206 4.320 -0.000 0.000 0.207 372 K C 2.154 178.831 176.600 0.129 0.000 1.049 372 K CA 1.138 57.484 56.287 0.098 0.000 0.931 372 K CB -0.262 32.296 32.500 0.096 0.000 0.714 372 K HN 0.460 nan 8.250 nan 0.000 0.440 373 W N 1.374 122.716 121.300 0.069 0.000 2.355 373 W HA -0.177 4.482 4.660 -0.000 0.000 0.309 373 W C 1.942 178.535 176.519 0.123 0.000 1.206 373 W CA 1.249 58.680 57.345 0.142 0.000 1.284 373 W CB 0.049 29.597 29.460 0.146 0.000 1.145 373 W HN -0.054 nan 8.180 nan 0.000 0.502 374 M N 0.114 119.910 119.600 0.325 0.000 2.159 374 M HA -0.191 4.289 4.480 -0.000 0.000 0.263 374 M C 1.765 178.068 176.300 0.005 0.000 1.063 374 M CA 1.749 57.147 55.300 0.163 0.000 1.110 374 M CB -2.002 30.725 32.600 0.212 0.000 1.374 374 M HN 0.174 nan 8.290 nan 0.000 0.411 375 N N 0.428 119.127 118.700 -0.003 0.000 2.166 375 N HA -0.156 4.584 4.740 -0.000 0.000 0.186 375 N C 1.799 177.193 175.510 -0.193 0.000 1.019 375 N CA 1.345 54.364 53.050 -0.053 0.000 0.856 375 N CB -0.026 38.435 38.487 -0.043 0.000 0.993 375 N HN 0.287 nan 8.380 nan 0.000 0.426 376 R N -1.698 118.584 120.500 -0.363 0.000 2.075 376 R HA -0.008 4.332 4.340 -0.000 0.000 0.226 376 R C 0.676 176.459 176.300 -0.862 0.000 1.114 376 R CA 1.237 56.923 56.100 -0.689 0.000 0.972 376 R CB 0.002 29.713 30.300 -0.982 0.000 0.869 376 R HN 0.332 nan 8.270 nan 0.000 0.437 377 Y N -1.792 118.114 120.300 -0.657 0.000 2.588 377 Y HA 0.344 4.894 4.550 -0.000 0.000 0.247 377 Y C 1.611 177.174 175.900 -0.562 0.000 1.157 377 Y CA -0.075 57.562 58.100 -0.772 0.000 1.215 377 Y CB 0.728 38.282 38.460 -1.510 0.000 1.245 377 Y HN 0.139 nan 8.280 nan 0.000 0.534 378 G N 0.458 109.095 108.800 -0.272 0.000 2.479 378 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.220 378 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.220 378 G C 1.742 176.511 174.900 -0.220 0.000 1.115 378 G CA 0.749 45.688 45.100 -0.268 0.000 0.757 378 G HN 0.294 nan 8.290 nan 0.000 0.560 379 K N 0.298 120.590 120.400 -0.181 0.000 2.211 379 K HA -0.017 4.303 4.320 -0.000 0.000 0.204 379 K C 2.409 178.712 176.600 -0.495 0.000 1.047 379 K CA 0.956 57.119 56.287 -0.207 0.000 0.935 379 K CB -0.127 32.253 32.500 -0.200 0.000 0.728 379 K HN 0.309 nan 8.250 nan 0.000 0.452 380 A N -0.126 122.337 122.820 -0.594 0.000 2.275 380 A HA 0.098 4.417 4.320 -0.000 0.000 0.212 380 A C 1.417 178.884 177.584 -0.194 0.000 1.201 380 A CA 0.206 51.853 52.037 -0.650 0.000 0.843 380 A CB 0.408 19.136 19.000 -0.453 0.000 0.873 380 A HN 0.087 nan 8.150 nan 0.000 0.492 381 V N -2.155 117.636 119.914 -0.205 0.000 3.054 381 V HA 0.123 4.243 4.120 -0.000 0.000 0.227 381 V C 0.291 176.312 176.094 -0.121 0.000 1.252 381 V CA -0.118 62.079 62.300 -0.172 0.000 1.279 381 V CB -0.807 30.841 31.823 -0.293 0.000 1.118 381 V HN 0.399 nan 8.190 nan 0.000 0.504 382 Y N 1.071 121.383 120.300 0.020 0.000 2.620 382 Y HA 0.407 4.957 4.550 0.000 0.000 0.330 382 Y C 1.249 177.170 175.900 0.034 0.000 1.186 382 Y CA 0.016 58.128 58.100 0.021 0.000 1.467 382 Y CB -0.396 38.070 38.460 0.009 0.000 1.262 382 Y HN 0.387 nan 8.280 nan 0.000 0.550 383 A N 0.573 123.516 122.820 0.206 0.000 2.826 383 A HA -0.262 4.058 4.320 -0.000 0.000 0.274 383 A C 0.251 177.917 177.584 0.136 0.000 1.443 383 A CA 0.765 52.888 52.037 0.142 0.000 0.833 383 A CB -2.149 16.928 19.000 0.129 0.000 1.023 383 A HN 0.664 nan 8.150 nan 0.000 0.600 384 C N -0.647 118.731 119.300 0.131 0.000 2.423 384 C HA 0.924 5.384 4.460 -0.000 0.000 0.378 384 C C 0.433 175.501 174.990 0.130 0.000 1.244 384 C CA -0.032 59.075 59.018 0.147 0.000 1.978 384 C CB 1.658 29.495 27.740 0.161 0.000 2.252 384 C HN 0.762 nan 8.230 nan 0.000 0.526 385 D N -2.113 118.379 120.400 0.153 0.000 2.692 385 D HA 0.192 4.832 4.640 -0.000 0.000 0.290 385 D C -1.459 174.974 176.300 0.222 0.000 1.281 385 D CA -0.448 53.654 54.000 0.169 0.000 0.804 385 D CB 0.797 41.692 40.800 0.158 0.000 1.331 385 D HN 0.470 nan 8.370 nan 0.000 0.432 386 Y N 1.176 121.548 120.300 0.121 0.000 2.811 386 Y HA 0.245 4.795 4.550 -0.000 0.000 0.334 386 Y C 0.788 176.761 175.900 0.123 0.000 1.247 386 Y CA 0.971 59.152 58.100 0.135 0.000 1.526 386 Y CB 0.751 39.288 38.460 0.128 0.000 1.284 386 Y HN 0.351 nan 8.280 nan 0.000 0.586 387 A N 4.158 126.762 122.820 -0.359 0.000 2.220 387 A HA 0.333 4.653 4.320 -0.000 0.000 0.211 387 A C 1.800 179.144 177.584 -0.400 0.000 1.176 387 A CA 0.551 52.392 52.037 -0.326 0.000 0.834 387 A CB -0.894 17.916 19.000 -0.315 0.000 0.868 387 A HN 1.828 nan 8.150 nan 0.000 0.488 388 G N -1.769 106.358 108.800 -1.121 0.000 2.162 388 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.260 388 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.260 388 G C -0.092 174.718 174.900 -0.150 0.000 0.976 388 G CA 0.378 45.097 45.100 -0.634 0.000 0.655 388 G HN 0.288 nan 8.290 nan 0.000 0.533 389 F N 0.955 120.640 119.950 -0.442 0.000 2.379 389 F HA 0.532 5.059 4.527 -0.000 0.000 0.332 389 F C 0.921 176.657 175.800 -0.108 0.000 1.096 389 F CA -1.584 56.200 58.000 -0.359 0.000 1.105 389 F CB 1.063 39.510 39.000 -0.922 0.000 1.189 389 F HN 0.141 nan 8.300 nan 0.000 0.515 390 E N 1.966 122.228 120.200 0.103 0.000 2.415 390 E HA -0.023 4.327 4.350 -0.000 0.000 0.263 390 E C -0.303 176.426 176.600 0.213 0.000 0.995 390 E CA -0.425 56.056 56.400 0.134 0.000 0.915 390 E CB 0.541 30.285 29.700 0.074 0.000 0.951 390 E HN 0.369 nan 8.360 nan 0.000 0.449 391 K N 3.394 123.872 120.400 0.130 0.000 2.484 391 K HA -0.060 4.260 4.320 -0.000 0.000 0.280 391 K C -0.681 175.829 176.600 -0.150 0.000 1.013 391 K CA 0.592 56.879 56.287 0.000 0.000 1.029 391 K CB 0.553 33.020 32.500 -0.055 0.000 0.902 391 K HN 0.316 nan 8.250 nan 0.000 0.481 392 Q N 2.812 122.334 119.800 -0.463 0.000 2.416 392 Q HA 0.196 4.536 4.340 -0.000 0.000 0.279 392 Q C -0.180 175.286 176.000 -0.891 0.000 1.101 392 Q CA -0.723 54.697 55.803 -0.640 0.000 0.830 392 Q CB 1.502 29.800 28.738 -0.733 0.000 1.402 392 Q HN 0.626 nan 8.270 nan 0.000 0.445 393 D N 0.481 120.529 120.400 -0.586 0.000 2.269 393 D HA -0.088 4.552 4.640 -0.000 0.000 0.208 393 D C 1.579 177.666 176.300 -0.355 0.000 0.963 393 D CA 0.794 54.565 54.000 -0.382 0.000 0.864 393 D CB 0.172 40.875 40.800 -0.162 0.000 0.936 393 D HN 0.625 nan 8.370 nan 0.000 0.505 394 W N 0.781 121.983 121.300 -0.164 0.000 2.595 394 W HA 0.284 4.944 4.660 -0.000 0.000 0.257 394 W C 0.664 177.060 176.519 -0.206 0.000 1.267 394 W CA 0.494 57.740 57.345 -0.164 0.000 1.300 394 W CB -0.166 29.204 29.460 -0.150 0.000 1.120 394 W HN -0.040 nan 8.180 nan 0.000 0.618 395 G N 0.280 108.840 108.800 -0.399 0.000 2.491 395 G HA2 0.263 4.223 3.960 -0.000 0.000 0.183 395 G HA3 0.263 4.223 3.960 -0.000 0.000 0.183 395 G C -2.135 172.225 174.900 -0.901 0.000 1.221 395 G CA -0.980 43.909 45.100 -0.352 0.000 0.996 395 G HN 0.099 nan 8.290 nan 0.000 0.474 396 Y N -0.659 119.608 120.300 -0.054 0.000 2.512 396 Y HA 0.726 5.276 4.550 -0.000 0.000 0.348 396 Y C -0.734 175.182 175.900 0.027 0.000 0.990 396 Y CA -0.886 57.155 58.100 -0.099 0.000 1.033 396 Y CB 1.887 40.362 38.460 0.024 0.000 1.259 396 Y HN 0.554 nan 8.280 nan 0.000 0.461 397 Y N 0.481 120.949 120.300 0.280 0.000 2.352 397 Y HA 0.607 5.156 4.550 -0.000 0.000 0.326 397 Y C 0.564 176.574 175.900 0.183 0.000 1.166 397 Y CA -0.725 57.496 58.100 0.201 0.000 1.182 397 Y CB 1.778 40.233 38.460 -0.009 0.000 1.216 397 Y HN 0.595 nan 8.280 nan 0.000 0.474 398 T N -0.267 114.494 114.554 0.344 0.000 2.901 398 T HA 0.631 4.981 4.350 -0.000 0.000 0.293 398 T C -1.090 173.739 174.700 0.214 0.000 1.084 398 T CA -1.277 60.990 62.100 0.278 0.000 1.008 398 T CB 2.153 71.195 68.868 0.289 0.000 1.170 398 T HN 0.682 nan 8.240 nan 0.000 0.509 399 R N 0.341 120.934 120.500 0.155 0.000 2.445 399 R HA 0.652 4.991 4.340 -0.000 0.000 0.308 399 R C 0.490 176.879 176.300 0.148 0.000 0.961 399 R CA -0.511 55.625 56.100 0.061 0.000 0.862 399 R CB 1.107 31.415 30.300 0.014 0.000 1.144 399 R HN 0.998 nan 8.270 nan 0.000 0.447 400 G N 1.624 110.495 108.800 0.119 0.000 2.588 400 G HA2 0.075 4.035 3.960 -0.000 0.000 0.281 400 G HA3 0.075 4.035 3.960 -0.000 0.000 0.281 400 G C 0.095 175.060 174.900 0.109 0.000 1.236 400 G CA -0.505 44.720 45.100 0.208 0.000 0.969 400 G HN 0.678 nan 8.290 nan 0.000 0.504 401 K N -0.770 119.700 120.400 0.116 0.000 2.155 401 K HA -0.043 4.277 4.320 -0.000 0.000 0.203 401 K C 1.194 177.828 176.600 0.057 0.000 1.052 401 K CA 0.933 57.270 56.287 0.083 0.000 0.948 401 K CB -0.036 32.513 32.500 0.083 0.000 0.728 401 K HN 0.472 nan 8.250 nan 0.000 0.448 402 N N 1.140 119.870 118.700 0.049 0.000 2.327 402 N HA 0.001 4.740 4.740 -0.000 0.000 0.231 402 N C -1.096 174.413 175.510 -0.001 0.000 1.130 402 N CA -0.001 53.064 53.050 0.025 0.000 0.845 402 N CB 0.786 39.288 38.487 0.025 0.000 1.073 402 N HN 0.028 nan 8.380 nan 0.000 0.496 403 D N 0.018 120.414 120.400 -0.008 0.000 3.041 403 D HA -0.155 4.484 4.640 -0.000 0.000 0.220 403 D C -0.625 175.609 176.300 -0.109 0.000 1.157 403 D CA 0.991 54.968 54.000 -0.038 0.000 0.876 403 D CB -1.276 39.514 40.800 -0.016 0.000 1.107 403 D HN 0.425 nan 8.370 nan 0.000 0.422 404 E N -0.415 119.685 120.200 -0.166 0.000 2.413 404 E HA 0.308 4.657 4.350 -0.000 0.000 0.263 404 E C 0.187 176.497 176.600 -0.484 0.000 1.015 404 E CA 0.036 56.211 56.400 -0.374 0.000 0.916 404 E CB 0.891 30.256 29.700 -0.559 0.000 0.947 404 E HN -0.013 nan 8.360 nan 0.000 0.440 405 V N 4.058 123.671 119.914 -0.501 0.000 2.378 405 V HA 0.239 4.359 4.120 -0.000 0.000 0.288 405 V C -1.082 174.775 176.094 -0.395 0.000 1.016 405 V CA -0.780 61.264 62.300 -0.427 0.000 0.840 405 V CB 0.150 31.708 31.823 -0.440 0.000 0.994 405 V HN 0.538 nan 8.190 nan 0.000 0.431 406 Y N 4.338 124.654 120.300 0.028 0.000 2.323 406 Y HA 0.620 5.170 4.550 -0.000 0.000 0.331 406 Y C 0.401 176.359 175.900 0.098 0.000 1.092 406 Y CA -0.836 57.295 58.100 0.052 0.000 1.150 406 Y CB 1.415 39.914 38.460 0.064 0.000 1.200 406 Y HN 0.486 nan 8.280 nan 0.000 0.472 407 M N 4.021 123.715 119.600 0.156 0.000 2.088 407 M HA 0.434 4.914 4.480 -0.000 0.000 0.346 407 M C -1.183 175.121 176.300 0.006 0.000 1.111 407 M CA -0.692 54.609 55.300 0.002 0.000 1.017 407 M CB 0.945 33.316 32.600 -0.382 0.000 1.568 407 M HN 0.296 nan 8.290 nan 0.000 0.445 408 V N 4.753 124.771 119.914 0.173 0.000 2.328 408 V HA 0.319 4.439 4.120 -0.000 0.000 0.278 408 V C -0.071 176.066 176.094 0.072 0.000 1.021 408 V CA -0.868 61.488 62.300 0.093 0.000 0.838 408 V CB 1.076 33.097 31.823 0.331 0.000 0.999 408 V HN 0.582 nan 8.190 nan 0.000 0.447 409 V N 5.606 125.278 119.914 -0.404 0.000 2.385 409 V HA 0.339 4.459 4.120 -0.000 0.000 0.269 409 V C 0.338 176.179 176.094 -0.422 0.000 1.043 409 V CA 0.230 62.297 62.300 -0.389 0.000 0.906 409 V CB 0.758 31.982 31.823 -0.998 0.000 0.995 409 V HN 0.807 nan 8.190 nan 0.000 0.467 410 F N 1.594 121.493 119.950 -0.085 0.000 2.694 410 F HA 0.316 4.843 4.527 -0.000 0.000 0.292 410 F C 1.064 176.836 175.800 -0.046 0.000 1.121 410 F CA -0.033 57.930 58.000 -0.061 0.000 1.352 410 F CB 0.638 39.613 39.000 -0.041 0.000 1.107 410 F HN 0.433 nan 8.300 nan 0.000 0.597 411 N N 1.304 120.080 118.700 0.127 0.000 2.573 411 N HA 0.127 4.867 4.740 -0.000 0.000 0.262 411 N C -0.995 174.539 175.510 0.040 0.000 1.029 411 N CA -0.265 52.824 53.050 0.065 0.000 0.882 411 N CB 1.452 39.962 38.487 0.038 0.000 1.204 411 N HN 0.034 nan 8.380 nan 0.000 0.519 412 Q N 3.023 122.814 119.800 -0.015 0.000 2.307 412 Q HA 0.237 4.577 4.340 -0.000 0.000 0.261 412 Q C -2.252 173.649 176.000 -0.164 0.000 1.051 412 Q CA -0.992 54.782 55.803 -0.048 0.000 0.911 412 Q CB 0.528 29.240 28.738 -0.044 0.000 1.227 412 Q HN 0.313 nan 8.270 nan 0.000 0.418 413 P HA -0.004 nan 4.420 nan 0.000 0.276 413 P C -0.531 176.701 177.300 -0.114 0.000 1.235 413 P CA 0.026 63.093 63.100 -0.054 0.000 0.772 413 P CB 0.529 32.261 31.700 0.054 0.000 0.871 414 Y N 1.037 121.367 120.300 0.051 0.000 2.333 414 Y HA -0.218 4.332 4.550 -0.000 0.000 0.290 414 Y C 2.708 178.630 175.900 0.035 0.000 1.144 414 Y CA 1.999 60.122 58.100 0.038 0.000 1.228 414 Y CB -0.975 37.504 38.460 0.032 0.000 0.985 414 Y HN 0.409 nan 8.280 nan 0.000 0.542 415 S N -0.109 115.688 115.700 0.163 0.000 2.465 415 S HA -0.240 4.230 4.470 -0.000 0.000 0.241 415 S C 0.904 175.549 174.600 0.075 0.000 1.000 415 S CA 1.160 59.425 58.200 0.108 0.000 0.964 415 S CB -0.493 62.765 63.200 0.096 0.000 0.763 415 S HN 0.626 nan 8.310 nan 0.000 0.512 416 E N -0.744 119.491 120.200 0.057 0.000 3.286 416 E HA -0.205 4.145 4.350 -0.000 0.000 0.292 416 E C -0.256 176.356 176.600 0.019 0.000 0.928 416 E CA 0.662 57.080 56.400 0.029 0.000 0.982 416 E CB -1.420 28.299 29.700 0.031 0.000 1.500 416 E HN 0.643 nan 8.360 nan 0.000 0.441 417 R N 0.246 120.763 120.500 0.029 0.000 2.532 417 R HA 0.498 4.838 4.340 -0.000 0.000 0.297 417 R C -0.661 175.650 176.300 0.018 0.000 0.984 417 R CA -0.573 55.543 56.100 0.026 0.000 0.884 417 R CB 1.318 31.650 30.300 0.053 0.000 1.182 417 R HN -0.051 nan 8.270 nan 0.000 0.442 418 L N 4.989 126.172 121.223 -0.066 0.000 2.255 418 L HA 0.436 4.776 4.340 -0.000 0.000 0.289 418 L C -0.015 176.872 176.870 0.029 0.000 1.046 418 L CA -0.457 54.261 54.840 -0.204 0.000 0.816 418 L CB 0.852 42.506 42.059 -0.675 0.000 1.197 418 L HN 0.473 nan 8.230 nan 0.000 0.427 419 I N 3.972 124.732 120.570 0.316 0.000 2.556 419 I HA 0.116 4.286 4.170 -0.000 0.000 0.284 419 I C -0.204 176.247 176.117 0.557 0.000 1.114 419 I CA -0.087 61.432 61.300 0.365 0.000 1.418 419 I CB 1.090 39.270 38.000 0.300 0.000 1.394 419 I HN 0.254 nan 8.210 nan 0.000 0.552 420 V N 6.198 126.387 119.914 0.459 0.000 2.409 420 V HA 0.388 4.508 4.120 -0.000 0.000 0.290 420 V C 0.337 176.696 176.094 0.442 0.000 1.017 420 V CA -0.757 61.895 62.300 0.587 0.000 0.841 420 V CB 1.280 33.444 31.823 0.568 0.000 1.003 420 V HN 0.774 nan 8.190 nan 0.000 0.426 421 K N 1.989 122.600 120.400 0.353 0.000 2.253 421 K HA 0.686 5.006 4.320 -0.000 0.000 0.277 421 K C 0.297 176.893 176.600 -0.006 0.000 1.053 421 K CA -0.330 56.049 56.287 0.154 0.000 0.892 421 K CB 0.855 33.408 32.500 0.090 0.000 1.102 421 K HN 0.849 nan 8.250 nan 0.000 0.469 422 T N 1.136 115.637 114.554 -0.089 0.000 2.913 422 T HA 0.585 4.935 4.350 -0.000 0.000 0.287 422 T C -2.286 172.144 174.700 -0.449 0.000 1.008 422 T CA -1.812 60.018 62.100 -0.450 0.000 1.067 422 T CB 1.029 69.823 68.868 -0.122 0.000 0.996 422 T HN 0.387 nan 8.240 nan 0.000 0.513 423 P HA 0.333 nan 4.420 nan 0.000 0.272 423 P C -0.009 177.172 177.300 -0.199 0.000 1.230 423 P CA -0.363 62.530 63.100 -0.344 0.000 0.788 423 P CB -0.029 31.465 31.700 -0.344 0.000 0.949 424 K N 0.891 121.216 120.400 -0.124 0.000 2.524 424 K HA 0.326 4.646 4.320 -0.000 0.000 0.279 424 K C 1.379 177.941 176.600 -0.063 0.000 0.993 424 K CA 0.421 56.662 56.287 -0.077 0.000 1.030 424 K CB -1.649 30.820 32.500 -0.052 0.000 0.891 424 K HN 0.965 nan 8.250 nan 0.000 0.488 425 G N 0.295 109.070 108.800 -0.041 0.000 2.179 425 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.260 425 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.260 425 G C 0.192 175.084 174.900 -0.013 0.000 0.977 425 G CA 0.314 45.401 45.100 -0.022 0.000 0.641 425 G HN 0.799 nan 8.290 nan 0.000 0.533 426 I N 2.206 122.757 120.570 -0.031 0.000 2.377 426 I HA 0.501 4.670 4.170 -0.000 0.000 0.293 426 I C 0.695 176.848 176.117 0.060 0.000 0.987 426 I CA 0.043 61.338 61.300 -0.008 0.000 1.185 426 I CB 1.247 39.202 38.000 -0.076 0.000 1.341 426 I HN 0.268 nan 8.210 nan 0.000 0.455 427 T N 2.600 117.208 114.554 0.090 0.000 2.908 427 T HA 0.657 5.006 4.350 -0.000 0.000 0.290 427 T C -0.354 174.364 174.700 0.031 0.000 1.034 427 T CA -0.755 61.441 62.100 0.160 0.000 1.010 427 T CB 2.206 71.163 68.868 0.149 0.000 1.068 427 T HN 0.168 nan 8.240 nan 0.000 0.481 428 V N 2.643 122.436 119.914 -0.202 0.000 2.406 428 V HA 0.247 4.367 4.120 -0.000 0.000 0.272 428 V C 1.081 177.034 176.094 -0.235 0.000 1.043 428 V CA -0.197 61.897 62.300 -0.343 0.000 0.915 428 V CB 0.682 32.071 31.823 -0.723 0.000 0.988 428 V HN 1.033 nan 8.190 nan 0.000 0.466 429 E N 3.038 123.167 120.200 -0.118 0.000 2.216 429 E HA 0.128 4.478 4.350 -0.000 0.000 0.192 429 E C 0.504 177.062 176.600 -0.070 0.000 0.973 429 E CA 0.427 56.787 56.400 -0.067 0.000 0.851 429 E CB 0.663 30.342 29.700 -0.035 0.000 0.804 429 E HN 0.571 nan 8.360 nan 0.000 0.477 430 K N -0.665 119.684 120.400 -0.086 0.000 2.568 430 K HA 0.561 4.880 4.320 -0.000 0.000 0.273 430 K C -2.060 174.494 176.600 -0.076 0.000 0.951 430 K CA -0.482 55.765 56.287 -0.067 0.000 0.854 430 K CB 2.212 34.685 32.500 -0.045 0.000 1.424 430 K HN -0.004 nan 8.250 nan 0.000 0.427 431 A N 1.422 124.207 122.820 -0.060 0.000 2.393 431 A HA 0.758 5.078 4.320 -0.000 0.000 0.306 431 A C -1.302 176.265 177.584 -0.029 0.000 1.050 431 A CA -0.546 51.460 52.037 -0.052 0.000 0.724 431 A CB 1.871 20.835 19.000 -0.060 0.000 1.248 431 A HN 0.504 nan 8.150 nan 0.000 0.424 432 T N 2.009 116.555 114.554 -0.013 0.000 2.916 432 T HA 0.448 4.798 4.350 -0.000 0.000 0.298 432 T C -0.797 173.918 174.700 0.026 0.000 1.031 432 T CA -0.420 61.682 62.100 0.002 0.000 0.993 432 T CB 1.285 70.157 68.868 0.007 0.000 1.045 432 T HN 0.650 nan 8.240 nan 0.000 0.454 433 L N 3.997 125.233 121.223 0.022 0.000 2.410 433 L HA 0.292 4.632 4.340 -0.000 0.000 0.273 433 L C 1.193 178.096 176.870 0.055 0.000 1.144 433 L CA -0.189 54.679 54.840 0.046 0.000 0.863 433 L CB 0.317 42.383 42.059 0.010 0.000 1.140 433 L HN 0.697 nan 8.230 nan 0.000 0.463 434 L N 3.848 125.130 121.223 0.098 0.000 2.012 434 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 434 L C 2.294 179.165 176.870 0.003 0.000 1.073 434 L CA 2.540 57.426 54.840 0.076 0.000 0.748 434 L CB -0.682 41.441 42.059 0.108 0.000 0.891 434 L HN 0.962 nan 8.230 nan 0.000 0.431 435 T N -5.089 109.457 114.554 -0.013 0.000 2.962 435 T HA -0.109 4.241 4.350 -0.000 0.000 0.270 435 T C 1.475 176.133 174.700 -0.070 0.000 1.088 435 T CA 1.441 63.483 62.100 -0.097 0.000 1.127 435 T CB -0.809 67.976 68.868 -0.138 0.000 0.883 435 T HN 0.571 nan 8.240 nan 0.000 0.493 436 T N -3.443 111.088 114.554 -0.039 0.000 2.959 436 T HA 0.494 4.844 4.350 -0.000 0.000 0.254 436 T C 1.873 176.557 174.700 -0.027 0.000 1.003 436 T CA 0.577 62.654 62.100 -0.038 0.000 0.950 436 T CB -0.167 68.678 68.868 -0.039 0.000 1.090 436 T HN 0.818 nan 8.240 nan 0.000 0.503 437 G N 2.828 111.619 108.800 -0.016 0.000 2.168 437 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.257 437 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.257 437 G C -0.107 174.787 174.900 -0.011 0.000 0.997 437 G CA 0.535 45.630 45.100 -0.008 0.000 0.708 437 G HN 1.105 nan 8.290 nan 0.000 0.520 438 E N 0.424 120.614 120.200 -0.015 0.000 2.366 438 E HA 0.434 4.784 4.350 -0.000 0.000 0.266 438 E C -0.300 176.290 176.600 -0.016 0.000 1.051 438 E CA -0.434 55.955 56.400 -0.018 0.000 0.884 438 E CB 0.936 30.621 29.700 -0.026 0.000 1.006 438 E HN 0.174 nan 8.360 nan 0.000 0.417 439 D N 2.001 122.391 120.400 -0.016 0.000 2.382 439 D HA 0.161 4.801 4.640 -0.000 0.000 0.245 439 D C -0.678 175.611 176.300 -0.019 0.000 1.120 439 D CA -0.216 53.774 54.000 -0.016 0.000 0.890 439 D CB 0.609 41.401 40.800 -0.014 0.000 1.201 439 D HN 0.311 nan 8.370 nan 0.000 0.433 440 I N 2.886 123.443 120.570 -0.020 0.000 2.433 440 I HA 0.155 4.324 4.170 -0.000 0.000 0.292 440 I C 0.293 176.397 176.117 -0.020 0.000 1.001 440 I CA -0.621 60.666 61.300 -0.023 0.000 1.119 440 I CB 1.484 39.469 38.000 -0.025 0.000 1.289 440 I HN 0.349 nan 8.210 nan 0.000 0.438 441 T N 5.582 120.128 114.554 -0.013 0.000 2.902 441 T HA 0.263 4.613 4.350 -0.000 0.000 0.301 441 T C 0.194 174.896 174.700 0.003 0.000 1.012 441 T CA -0.009 62.090 62.100 -0.002 0.000 1.151 441 T CB 0.546 69.417 68.868 0.004 0.000 0.946 441 T HN 0.283 nan 8.240 nan 0.000 0.542 442 V N 4.789 124.711 119.914 0.013 0.000 2.444 442 V HA 0.412 4.532 4.120 -0.000 0.000 0.294 442 V C -0.143 176.011 176.094 0.100 0.000 1.022 442 V CA -0.771 61.550 62.300 0.034 0.000 0.850 442 V CB 1.900 33.698 31.823 -0.042 0.000 0.992 442 V HN 0.667 nan 8.190 nan 0.000 0.426 443 V N 4.032 124.034 119.914 0.147 0.000 2.409 443 V HA 0.360 4.479 4.120 -0.000 0.000 0.291 443 V C 0.202 176.423 176.094 0.212 0.000 1.020 443 V CA -0.689 61.699 62.300 0.147 0.000 0.848 443 V CB 1.727 33.602 31.823 0.086 0.000 0.990 443 V HN 0.979 nan 8.190 nan 0.000 0.430 444 E N 2.807 123.114 120.200 0.179 0.000 2.366 444 E HA 0.108 4.458 4.350 -0.000 0.000 0.266 444 E C 0.912 177.486 176.600 -0.044 0.000 1.015 444 E CA 0.463 56.862 56.400 -0.002 0.000 0.906 444 E CB 1.056 30.730 29.700 -0.043 0.000 0.979 444 E HN 0.897 nan 8.360 nan 0.000 0.443 445 T N 0.364 114.860 114.554 -0.097 0.000 3.038 445 T HA 0.115 4.464 4.350 -0.000 0.000 0.244 445 T C 0.912 175.571 174.700 -0.069 0.000 1.016 445 T CA 0.486 62.558 62.100 -0.047 0.000 1.098 445 T CB 0.607 69.471 68.868 -0.005 0.000 0.954 445 T HN 0.425 nan 8.240 nan 0.000 0.469 446 T N 0.023 114.505 114.554 -0.121 0.000 2.626 446 T HA 0.428 4.778 4.350 -0.000 0.000 0.299 446 T C -1.594 173.009 174.700 -0.161 0.000 1.181 446 T CA -0.872 61.164 62.100 -0.108 0.000 1.053 446 T CB 1.197 70.027 68.868 -0.063 0.000 1.566 446 T HN -0.027 nan 8.240 nan 0.000 0.486 447 R N 1.945 122.376 120.500 -0.115 0.000 2.458 447 R HA 0.179 4.519 4.340 -0.000 0.000 0.303 447 R C 0.368 176.583 176.300 -0.142 0.000 1.013 447 R CA 0.956 56.984 56.100 -0.120 0.000 1.026 447 R CB -1.206 29.050 30.300 -0.073 0.000 0.948 447 R HN 0.868 nan 8.270 nan 0.000 0.417 448 N N 0.680 119.267 118.700 -0.188 0.000 2.741 448 N HA -0.252 4.488 4.740 -0.000 0.000 0.251 448 N C -0.724 174.682 175.510 -0.173 0.000 1.112 448 N CA 1.463 54.417 53.050 -0.159 0.000 0.750 448 N CB -0.451 37.979 38.487 -0.094 0.000 1.119 448 N HN 0.665 nan 8.380 nan 0.000 0.561 449 E N -0.270 119.745 120.200 -0.309 0.000 2.272 449 E HA 0.485 4.835 4.350 -0.000 0.000 0.269 449 E C -1.381 175.001 176.600 -0.363 0.000 0.877 449 E CA -0.681 55.603 56.400 -0.193 0.000 0.755 449 E CB 1.087 30.746 29.700 -0.067 0.000 1.192 449 E HN 0.145 nan 8.360 nan 0.000 0.422 450 Y N 1.422 121.775 120.300 0.088 0.000 2.512 450 Y HA 0.394 4.944 4.550 -0.000 0.000 0.348 450 Y C -0.143 175.810 175.900 0.088 0.000 0.990 450 Y CA -1.180 56.969 58.100 0.080 0.000 1.033 450 Y CB 1.795 40.308 38.460 0.088 0.000 1.259 450 Y HN 0.400 nan 8.280 nan 0.000 0.461 451 N N 1.314 120.148 118.700 0.223 0.000 2.437 451 N HA 0.350 5.090 4.740 -0.000 0.000 0.259 451 N C -1.235 174.342 175.510 0.112 0.000 0.983 451 N CA -0.298 52.838 53.050 0.144 0.000 0.937 451 N CB 1.666 40.210 38.487 0.095 0.000 1.122 451 N HN 0.307 nan 8.380 nan 0.000 0.499 452 V N 1.961 121.909 119.914 0.056 0.000 2.432 452 V HA 0.206 4.326 4.120 -0.000 0.000 0.275 452 V C 0.629 176.698 176.094 -0.041 0.000 1.043 452 V CA -0.528 61.763 62.300 -0.015 0.000 0.925 452 V CB 1.111 32.883 31.823 -0.085 0.000 0.985 452 V HN 0.564 nan 8.190 nan 0.000 0.466 453 S N 3.624 119.311 115.700 -0.022 0.000 2.572 453 S HA 0.277 4.747 4.470 -0.000 0.000 0.279 453 S C 0.226 174.805 174.600 -0.034 0.000 1.341 453 S CA -0.546 57.642 58.200 -0.020 0.000 1.043 453 S CB 1.308 64.501 63.200 -0.011 0.000 0.887 453 S HN 0.812 nan 8.310 nan 0.000 0.516 454 V N 1.273 121.172 119.914 -0.025 0.000 3.096 454 V HA 0.358 4.478 4.120 -0.000 0.000 0.306 454 V C -2.492 173.567 176.094 -0.058 0.000 1.088 454 V CA -1.879 60.412 62.300 -0.014 0.000 1.129 454 V CB -0.788 31.035 31.823 -0.001 0.000 1.014 454 V HN 0.573 nan 8.190 nan 0.000 0.486 455 P HA 0.202 nan 4.420 nan 0.000 0.269 455 P C 0.581 177.813 177.300 -0.113 0.000 1.209 455 P CA -0.252 62.764 63.100 -0.141 0.000 0.776 455 P CB 0.479 32.030 31.700 -0.248 0.000 0.876 456 K N 1.291 121.642 120.400 -0.081 0.000 2.052 456 K HA -0.188 4.131 4.320 -0.000 0.000 0.215 456 K C 0.362 176.921 176.600 -0.068 0.000 1.053 456 K CA 1.712 57.964 56.287 -0.060 0.000 0.934 456 K CB -0.069 32.402 32.500 -0.049 0.000 0.717 456 K HN 0.381 nan 8.250 nan 0.000 0.450 457 K N 1.546 121.892 120.400 -0.089 0.000 2.213 457 K HA 0.092 4.412 4.320 -0.000 0.000 0.270 457 K C -0.684 175.830 176.600 -0.144 0.000 1.002 457 K CA -0.601 55.631 56.287 -0.092 0.000 0.868 457 K CB 1.195 33.649 32.500 -0.076 0.000 1.093 457 K HN 0.060 nan 8.250 nan 0.000 0.454 458 N N 3.992 122.619 118.700 -0.122 0.000 2.414 458 N HA -0.014 4.725 4.740 -0.000 0.000 0.268 458 N C -1.822 173.589 175.510 -0.165 0.000 1.286 458 N CA -1.028 51.930 53.050 -0.154 0.000 0.896 458 N CB 0.933 39.373 38.487 -0.078 0.000 1.093 458 N HN 0.326 nan 8.380 nan 0.000 0.480 459 P HA 0.078 nan 4.420 nan 0.000 0.225 459 P C 0.595 177.876 177.300 -0.030 0.000 1.148 459 P CA 0.876 63.872 63.100 -0.174 0.000 0.779 459 P CB 0.096 31.618 31.700 -0.297 0.000 0.780 460 G N -0.334 108.459 108.800 -0.012 0.000 2.162 460 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.260 460 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.260 460 G C -0.063 174.885 174.900 0.080 0.000 0.976 460 G CA 0.541 45.662 45.100 0.035 0.000 0.655 460 G HN 0.542 nan 8.290 nan 0.000 0.533 461 E N -1.446 118.826 120.200 0.121 0.000 2.454 461 E HA 0.601 4.950 4.350 -0.000 0.000 0.279 461 E C -3.316 173.354 176.600 0.118 0.000 1.029 461 E CA -2.564 53.922 56.400 0.144 0.000 0.831 461 E CB 0.778 30.623 29.700 0.242 0.000 1.405 461 E HN 0.021 nan 8.360 nan 0.000 0.463 462 P HA 0.046 nan 4.420 nan 0.000 0.263 462 P C -1.422 175.697 177.300 -0.301 0.000 1.195 462 P CA 0.479 63.352 63.100 -0.377 0.000 0.762 462 P CB -0.210 30.944 31.700 -0.911 0.000 0.799 463 Y N 0.721 120.731 120.300 -0.483 0.000 2.634 463 Y HA 0.794 5.343 4.550 -0.000 0.000 0.340 463 Y C -1.317 174.343 175.900 -0.399 0.000 1.058 463 Y CA -1.610 56.126 58.100 -0.608 0.000 1.081 463 Y CB 0.883 39.213 38.460 -0.217 0.000 1.295 463 Y HN 0.015 nan 8.280 nan 0.000 0.487 464 V N 3.173 123.057 119.914 -0.049 0.000 2.540 464 V HA 0.443 4.563 4.120 -0.000 0.000 0.302 464 V C -0.479 175.707 176.094 0.153 0.000 1.035 464 V CA -0.789 61.525 62.300 0.024 0.000 0.873 464 V CB 1.541 33.417 31.823 0.087 0.000 0.992 464 V HN 0.699 nan 8.190 nan 0.000 0.428 465 I N 3.997 124.611 120.570 0.073 0.000 2.378 465 I HA 0.418 4.588 4.170 -0.000 0.000 0.291 465 I C -0.034 176.136 176.117 0.089 0.000 0.992 465 I CA -0.330 61.011 61.300 0.069 0.000 1.154 465 I CB 1.771 39.758 38.000 -0.020 0.000 1.315 465 I HN 0.648 nan 8.210 nan 0.000 0.448 466 Q N 7.027 126.891 119.800 0.106 0.000 2.278 466 Q HA 0.524 4.864 4.340 -0.000 0.000 0.257 466 Q C -1.518 174.448 176.000 -0.056 0.000 0.928 466 Q CA -0.582 55.250 55.803 0.049 0.000 0.932 466 Q CB 1.199 30.005 28.738 0.113 0.000 1.221 466 Q HN 0.606 nan 8.270 nan 0.000 0.434 467 L N 3.708 124.855 121.223 -0.127 0.000 2.325 467 L HA 0.475 4.814 4.340 -0.000 0.000 0.279 467 L C -0.044 176.745 176.870 -0.135 0.000 1.054 467 L CA -0.654 54.115 54.840 -0.118 0.000 0.804 467 L CB 1.379 43.372 42.059 -0.111 0.000 1.200 467 L HN 0.557 nan 8.230 nan 0.000 0.436 468 K N 3.132 123.473 120.400 -0.098 0.000 2.234 468 K HA 0.516 4.836 4.320 -0.000 0.000 0.277 468 K C -0.798 175.761 176.600 -0.068 0.000 1.038 468 K CA -0.506 55.732 56.287 -0.081 0.000 0.888 468 K CB 1.320 33.785 32.500 -0.058 0.000 1.091 468 K HN 0.485 nan 8.250 nan 0.000 0.467 469 V N -0.235 119.651 119.914 -0.047 0.000 3.019 469 V HA 0.952 5.072 4.120 -0.000 0.000 0.317 469 V C -0.721 175.375 176.094 0.004 0.000 1.094 469 V CA -0.970 61.327 62.300 -0.004 0.000 1.000 469 V CB 1.504 33.365 31.823 0.063 0.000 1.060 469 V HN 0.857 nan 8.190 nan 0.000 0.443 470 R N 0.749 121.261 120.500 0.020 0.000 2.621 470 R HA 0.960 5.300 4.340 -0.000 0.000 0.284 470 R C -0.234 176.081 176.300 0.025 0.000 0.998 470 R CA -0.214 55.896 56.100 0.018 0.000 0.895 470 R CB 1.191 31.500 30.300 0.014 0.000 1.195 470 R HN 2.255 nan 8.270 nan 0.000 0.450 471 A N 0.000 122.831 122.820 0.019 0.000 2.254 471 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 471 A CA 0.000 52.046 52.037 0.015 0.000 0.836 471 A CB 0.000 19.009 19.000 0.015 0.000 0.831 471 A HN 0.000 nan 8.150 nan 0.000 0.486