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 1ll5_1_B DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG SVSKTFTGVL GGDAIARGEI KLSDPTTKYW PELTAKQWNG DATA SEQUENCE ITLLHLATYT AGGLPLQVPD EVKSSSDLLR FYQNWQPAWA PGTQRLYANS DATA SEQUENCE SIGLFGALAV KPSGLSFEQA MQTRVFQPLK LNHTWINVPP AEEKNYAWGY DATA SEQUENCE REGKAVHVSP GALDAEAYGV KSTIEDMARW VQSNLKPLDI NEKTLQQGIQ DATA SEQUENCE LAQSRYWQTG DMYQGLGWEM LDWPVNPDSI INGSDNKIAL AARPVKAITP DATA SEQUENCE PTPAVRASWV HKTGATGGFG SYVAFIPEKE LGIVMLANKN YPNPARVDAA DATA SEQUENCE WQILNALQ 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.451 177.584 -0.222 0.000 1.274 4 A CA 0.000 51.926 52.037 -0.185 0.000 0.836 4 A CB 0.000 18.807 19.000 -0.321 0.000 0.831 5 P HA 0.003 nan 4.420 nan 0.000 0.266 5 P C 0.798 177.991 177.300 -0.178 0.000 1.186 5 P CA 0.041 63.010 63.100 -0.218 0.000 0.767 5 P CB 0.561 32.092 31.700 -0.281 0.000 0.820 6 Q N 2.731 122.467 119.800 -0.108 0.000 2.112 6 Q HA -0.275 4.065 4.340 -0.000 0.000 0.206 6 Q C 1.743 177.693 176.000 -0.084 0.000 0.987 6 Q CA 2.002 57.762 55.803 -0.070 0.000 0.858 6 Q CB -0.214 28.497 28.738 -0.045 0.000 0.905 6 Q HN 0.579 nan 8.270 nan 0.000 0.420 7 Q N -0.185 119.539 119.800 -0.127 0.000 2.181 7 Q HA -0.154 4.186 4.340 -0.000 0.000 0.205 7 Q C 2.115 178.014 176.000 -0.169 0.000 0.980 7 Q CA 1.499 57.218 55.803 -0.140 0.000 0.862 7 Q CB -0.634 27.998 28.738 -0.176 0.000 0.905 7 Q HN 0.518 nan 8.270 nan 0.000 0.429 8 I N 1.503 121.933 120.570 -0.233 0.000 2.233 8 I HA -0.207 3.963 4.170 -0.000 0.000 0.243 8 I C 1.949 178.043 176.117 -0.038 0.000 1.093 8 I CA 0.963 62.145 61.300 -0.195 0.000 1.380 8 I CB -0.431 37.395 38.000 -0.290 0.000 1.067 8 I HN 0.165 nan 8.210 nan 0.000 0.413 9 N N 0.874 119.601 118.700 0.045 0.000 2.166 9 N HA -0.228 4.512 4.740 -0.000 0.000 0.186 9 N C 1.488 177.054 175.510 0.094 0.000 1.019 9 N CA 1.617 54.764 53.050 0.161 0.000 0.856 9 N CB -0.504 38.049 38.487 0.110 0.000 0.993 9 N HN 0.380 nan 8.380 nan 0.000 0.426 10 D N 0.567 120.990 120.400 0.038 0.000 2.084 10 D HA -0.096 4.544 4.640 -0.000 0.000 0.194 10 D C 1.827 178.150 176.300 0.038 0.000 0.990 10 D CA 0.567 54.598 54.000 0.052 0.000 0.826 10 D CB -0.157 40.650 40.800 0.012 0.000 0.971 10 D HN 0.111 nan 8.370 nan 0.000 0.453 11 I N -0.321 120.236 120.570 -0.021 0.000 2.439 11 I HA -0.108 4.062 4.170 -0.000 0.000 0.251 11 I C 1.953 178.047 176.117 -0.039 0.000 1.139 11 I CA 0.726 62.004 61.300 -0.036 0.000 1.438 11 I CB -0.016 37.943 38.000 -0.067 0.000 1.085 11 I HN -0.032 nan 8.210 nan 0.000 0.427 12 V N -0.019 119.845 119.914 -0.083 0.000 2.379 12 V HA -0.264 3.856 4.120 -0.000 0.000 0.245 12 V C 2.499 178.651 176.094 0.096 0.000 1.044 12 V CA 2.068 64.286 62.300 -0.135 0.000 1.036 12 V CB -0.995 30.469 31.823 -0.598 0.000 0.664 12 V HN 0.523 nan 8.190 nan 0.000 0.453 13 H N 0.747 119.850 119.070 0.054 0.000 2.389 13 H HA -0.038 4.518 4.556 -0.000 0.000 0.299 13 H C 2.395 177.781 175.328 0.097 0.000 1.081 13 H CA 1.743 57.888 56.048 0.161 0.000 1.345 13 H CB -0.047 29.794 29.762 0.132 0.000 1.393 13 H HN 0.238 nan 8.280 nan 0.000 0.520 14 R N -1.054 119.445 120.500 -0.002 0.000 2.189 14 R HA -0.016 4.324 4.340 -0.000 0.000 0.218 14 R C 1.596 177.854 176.300 -0.069 0.000 1.074 14 R CA 1.506 57.551 56.100 -0.091 0.000 0.991 14 R CB 0.273 30.547 30.300 -0.043 0.000 0.883 14 R HN 0.351 nan 8.270 nan 0.000 0.457 15 T N 0.428 114.960 114.554 -0.036 0.000 2.988 15 T HA 0.096 4.446 4.350 -0.000 0.000 0.240 15 T C 1.724 176.377 174.700 -0.078 0.000 1.014 15 T CA 0.328 62.404 62.100 -0.039 0.000 1.155 15 T CB 0.192 69.051 68.868 -0.014 0.000 0.872 15 T HN -0.033 nan 8.240 nan 0.000 0.440 16 I N 2.131 122.642 120.570 -0.100 0.000 2.333 16 I HA -0.040 4.130 4.170 -0.000 0.000 0.246 16 I C 2.593 178.471 176.117 -0.397 0.000 1.106 16 I CA 1.257 62.392 61.300 -0.275 0.000 1.411 16 I CB -1.899 35.843 38.000 -0.431 0.000 1.082 16 I HN 0.233 nan 8.210 nan 0.000 0.420 17 T N 2.242 116.692 114.554 -0.173 0.000 2.665 17 T HA -0.102 4.248 4.350 -0.000 0.000 0.268 17 T C -0.302 174.301 174.700 -0.162 0.000 1.035 17 T CA 1.738 63.775 62.100 -0.104 0.000 1.151 17 T CB -1.312 67.712 68.868 0.260 0.000 0.862 17 T HN 0.241 nan 8.240 nan 0.000 0.438 18 P HA 0.073 nan 4.420 nan 0.000 0.220 18 P C 1.605 178.822 177.300 -0.138 0.000 1.152 18 P CA 0.317 63.346 63.100 -0.119 0.000 0.812 18 P CB -0.127 31.515 31.700 -0.098 0.000 0.792 19 L N -0.499 120.621 121.223 -0.172 0.000 2.046 19 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 19 L C 2.080 178.790 176.870 -0.268 0.000 1.077 19 L CA 1.845 56.571 54.840 -0.190 0.000 0.747 19 L CB -1.176 40.768 42.059 -0.192 0.000 0.896 19 L HN -0.132 nan 8.230 nan 0.000 0.432 20 I N -0.439 119.932 120.570 -0.331 0.000 2.208 20 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 20 I C 2.434 178.428 176.117 -0.205 0.000 1.097 20 I CA 1.111 62.214 61.300 -0.328 0.000 1.363 20 I CB -0.431 37.323 38.000 -0.410 0.000 1.051 20 I HN 0.335 nan 8.210 nan 0.000 0.413 21 E N 0.594 120.701 120.200 -0.154 0.000 2.072 21 E HA -0.231 4.119 4.350 -0.000 0.000 0.191 21 E C 2.159 178.705 176.600 -0.089 0.000 0.985 21 E CA 1.221 57.564 56.400 -0.095 0.000 0.801 21 E CB -0.317 29.344 29.700 -0.065 0.000 0.750 21 E HN 0.593 nan 8.360 nan 0.000 0.452 22 Q N 0.135 119.876 119.800 -0.098 0.000 2.124 22 Q HA -0.107 4.233 4.340 -0.000 0.000 0.202 22 Q C 1.904 177.858 176.000 -0.077 0.000 0.977 22 Q CA 1.006 56.764 55.803 -0.075 0.000 0.850 22 Q CB 0.104 28.802 28.738 -0.066 0.000 0.901 22 Q HN 0.163 nan 8.270 nan 0.000 0.429 23 Q N 0.099 119.820 119.800 -0.130 0.000 2.360 23 Q HA 0.068 4.408 4.340 -0.000 0.000 0.202 23 Q C -0.243 175.695 176.000 -0.104 0.000 0.915 23 Q CA 0.231 55.958 55.803 -0.128 0.000 0.943 23 Q CB 0.639 29.201 28.738 -0.293 0.000 1.064 23 Q HN 0.233 nan 8.270 nan 0.000 0.511 24 K N 0.646 120.984 120.400 -0.103 0.000 3.096 24 K HA -0.170 4.150 4.320 -0.000 0.000 0.266 24 K C -0.609 175.945 176.600 -0.077 0.000 1.043 24 K CA 0.183 56.425 56.287 -0.075 0.000 0.758 24 K CB -1.852 30.623 32.500 -0.042 0.000 1.260 24 K HN 0.232 nan 8.250 nan 0.000 0.481 25 I N 0.826 121.322 120.570 -0.122 0.000 2.452 25 I HA 0.018 4.188 4.170 -0.000 0.000 0.287 25 I C -0.925 175.172 176.117 -0.033 0.000 1.079 25 I CA -2.041 59.206 61.300 -0.087 0.000 1.387 25 I CB 0.822 38.715 38.000 -0.179 0.000 1.404 25 I HN 0.025 nan 8.210 nan 0.000 0.522 26 P HA -0.045 nan 4.420 nan 0.000 0.216 26 P C 0.391 177.751 177.300 0.100 0.000 1.153 26 P CA 0.611 63.711 63.100 -0.001 0.000 0.848 26 P CB 0.254 31.881 31.700 -0.121 0.000 0.787 27 G N -1.594 107.327 108.800 0.201 0.000 2.696 27 G HA2 0.688 4.648 3.960 -0.000 0.000 0.295 27 G HA3 0.688 4.648 3.960 -0.000 0.000 0.295 27 G C -1.888 173.264 174.900 0.420 0.000 1.398 27 G CA -0.384 44.904 45.100 0.314 0.000 0.920 27 G HN 0.069 nan 8.290 nan 0.000 0.492 28 M N 0.888 120.771 119.600 0.472 0.000 2.471 28 M HA 0.719 5.199 4.480 -0.000 0.000 0.284 28 M C -1.638 174.963 176.300 0.503 0.000 1.203 28 M CA -0.581 54.960 55.300 0.402 0.000 0.915 28 M CB 2.262 34.949 32.600 0.144 0.000 1.734 28 M HN 1.155 nan 8.290 nan 0.000 0.485 29 A N 2.860 125.841 122.820 0.268 0.000 2.449 29 A HA 0.897 5.217 4.320 -0.000 0.000 0.302 29 A C -1.846 175.928 177.584 0.317 0.000 1.048 29 A CA -0.618 51.619 52.037 0.332 0.000 0.708 29 A CB 1.966 21.076 19.000 0.182 0.000 1.274 29 A HN 0.657 nan 8.150 nan 0.000 0.410 30 V N 0.446 120.667 119.914 0.511 0.000 2.841 30 V HA 0.833 4.953 4.120 -0.000 0.000 0.310 30 V C -0.050 176.393 176.094 0.582 0.000 1.090 30 V CA -0.138 62.451 62.300 0.482 0.000 0.930 30 V CB 1.992 34.124 31.823 0.516 0.000 1.014 30 V HN 1.592 nan 8.190 nan 0.000 0.425 31 A N 3.323 126.409 122.820 0.442 0.000 2.371 31 A HA 0.920 5.240 4.320 -0.000 0.000 0.311 31 A C -1.354 176.410 177.584 0.300 0.000 1.068 31 A CA -0.584 51.683 52.037 0.383 0.000 0.744 31 A CB 1.987 21.180 19.000 0.321 0.000 1.239 31 A HN 0.709 nan 8.150 nan 0.000 0.435 32 V N 3.139 123.246 119.914 0.323 0.000 2.444 32 V HA 0.367 4.487 4.120 -0.000 0.000 0.294 32 V C -0.956 175.279 176.094 0.235 0.000 1.022 32 V CA -0.303 62.157 62.300 0.266 0.000 0.850 32 V CB 1.412 33.415 31.823 0.301 0.000 0.992 32 V HN 0.729 nan 8.190 nan 0.000 0.426 33 I N 5.781 126.434 120.570 0.139 0.000 2.315 33 I HA 0.363 4.533 4.170 -0.000 0.000 0.291 33 I C -0.689 175.541 176.117 0.188 0.000 1.006 33 I CA -0.261 61.091 61.300 0.086 0.000 1.265 33 I CB 0.757 38.738 38.000 -0.032 0.000 1.387 33 I HN 0.581 nan 8.210 nan 0.000 0.475 34 Y N 5.596 125.976 120.300 0.133 0.000 2.338 34 Y HA 0.339 4.889 4.550 0.000 0.000 0.333 34 Y C 0.117 176.066 175.900 0.083 0.000 0.968 34 Y CA -1.046 57.119 58.100 0.109 0.000 1.123 34 Y CB 1.071 39.617 38.460 0.142 0.000 1.165 34 Y HN 0.696 nan 8.280 nan 0.000 0.452 35 Q N 4.559 124.073 119.800 -0.476 0.000 2.453 35 Q HA -0.255 4.085 4.340 -0.000 0.000 0.294 35 Q C 1.085 176.972 176.000 -0.187 0.000 1.295 35 Q CA 1.128 56.698 55.803 -0.389 0.000 0.853 35 Q CB -1.716 26.720 28.738 -0.503 0.000 1.193 35 Q HN 1.403 nan 8.270 nan 0.000 0.461 36 G N -2.424 106.291 108.800 -0.142 0.000 2.189 36 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.267 36 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.267 36 G C 0.157 174.994 174.900 -0.104 0.000 0.975 36 G CA 0.995 46.023 45.100 -0.120 0.000 0.644 36 G HN 0.852 nan 8.290 nan 0.000 0.537 37 K N 0.961 121.316 120.400 -0.074 0.000 2.207 37 K HA 0.886 5.206 4.320 -0.000 0.000 0.255 37 K C -2.700 173.709 176.600 -0.318 0.000 0.941 37 K CA -1.434 54.752 56.287 -0.168 0.000 0.825 37 K CB 2.023 34.441 32.500 -0.135 0.000 1.119 37 K HN 0.236 nan 8.250 nan 0.000 0.430 38 P HA 0.451 nan 4.420 nan 0.000 0.290 38 P C -1.436 175.140 177.300 -1.207 0.000 1.276 38 P CA -0.330 62.374 63.100 -0.659 0.000 0.808 38 P CB 0.444 31.845 31.700 -0.497 0.000 0.966 39 Y N 1.632 121.622 120.300 -0.518 0.000 2.425 39 Y HA 0.464 5.014 4.550 -0.000 0.000 0.344 39 Y C -0.035 175.447 175.900 -0.697 0.000 0.969 39 Y CA -0.558 57.223 58.100 -0.530 0.000 1.052 39 Y CB 1.833 40.173 38.460 -0.201 0.000 1.215 39 Y HN 0.293 nan 8.280 nan 0.000 0.451 40 Y N 2.169 122.258 120.300 -0.351 0.000 2.468 40 Y HA 0.714 5.264 4.550 -0.000 0.000 0.342 40 Y C -1.056 174.403 175.900 -0.735 0.000 1.021 40 Y CA -1.698 56.221 58.100 -0.302 0.000 1.079 40 Y CB 1.379 39.766 38.460 -0.123 0.000 1.226 40 Y HN 0.358 nan 8.280 nan 0.000 0.460 41 F N -0.047 120.016 119.950 0.187 0.000 2.578 41 F HA 0.684 5.211 4.527 -0.000 0.000 0.311 41 F C -0.311 175.425 175.800 -0.107 0.000 1.094 41 F CA -1.034 56.904 58.000 -0.105 0.000 0.923 41 F CB 2.338 41.261 39.000 -0.130 0.000 1.230 41 F HN 0.410 nan 8.300 nan 0.000 0.450 42 T N -1.573 112.841 114.554 -0.234 0.000 2.903 42 T HA 0.688 5.038 4.350 -0.000 0.000 0.299 42 T C -1.615 173.002 174.700 -0.137 0.000 1.093 42 T CA -0.784 61.336 62.100 0.033 0.000 1.002 42 T CB 1.945 70.872 68.868 0.099 0.000 1.127 42 T HN 0.623 nan 8.240 nan 0.000 0.488 43 W N 0.355 121.742 121.300 0.144 0.000 3.256 43 W HA 0.492 5.152 4.660 -0.000 0.000 0.324 43 W C 0.780 177.326 176.519 0.045 0.000 1.196 43 W CA -0.166 57.227 57.345 0.079 0.000 1.206 43 W CB 1.790 31.297 29.460 0.079 0.000 1.385 43 W HN 1.411 nan 8.180 nan 0.000 0.522 44 G N 1.526 110.411 108.800 0.142 0.000 2.575 44 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.267 44 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.267 44 G C -1.423 173.440 174.900 -0.062 0.000 1.264 44 G CA -0.217 44.822 45.100 -0.102 0.000 0.935 44 G HN 0.556 nan 8.290 nan 0.000 0.568 45 Y N -0.025 120.365 120.300 0.151 0.000 2.409 45 Y HA 0.571 5.121 4.550 -0.000 0.000 0.339 45 Y C 1.367 177.371 175.900 0.174 0.000 1.033 45 Y CA -0.446 57.736 58.100 0.137 0.000 1.094 45 Y CB 1.927 40.435 38.460 0.080 0.000 1.210 45 Y HN 0.781 nan 8.280 nan 0.000 0.456 46 A N 0.794 123.825 122.820 0.352 0.000 1.935 46 A HA -0.047 4.273 4.320 -0.000 0.000 0.214 46 A C 0.256 178.034 177.584 0.323 0.000 1.178 46 A CA 1.291 53.472 52.037 0.239 0.000 0.640 46 A CB 0.066 19.153 19.000 0.144 0.000 0.825 46 A HN 0.688 nan 8.150 nan 0.000 0.447 47 D N -1.018 119.563 120.400 0.302 0.000 2.575 47 D HA 0.405 5.045 4.640 -0.000 0.000 0.250 47 D C 0.662 177.014 176.300 0.086 0.000 1.279 47 D CA -0.444 53.752 54.000 0.327 0.000 0.925 47 D CB 0.844 41.822 40.800 0.297 0.000 1.261 47 D HN 0.148 nan 8.370 nan 0.000 0.567 48 I N 2.264 122.880 120.570 0.076 0.000 2.142 48 I HA -0.222 3.948 4.170 -0.000 0.000 0.240 48 I C 2.472 178.441 176.117 -0.246 0.000 1.078 48 I CA 1.204 62.398 61.300 -0.177 0.000 1.343 48 I CB -0.187 37.676 38.000 -0.227 0.000 1.046 48 I HN 0.441 nan 8.210 nan 0.000 0.405 49 A N 0.776 123.519 122.820 -0.128 0.000 1.883 49 A HA -0.284 4.036 4.320 -0.000 0.000 0.217 49 A C 2.319 179.816 177.584 -0.144 0.000 1.186 49 A CA 2.086 54.044 52.037 -0.131 0.000 0.624 49 A CB -0.585 18.347 19.000 -0.113 0.000 0.822 49 A HN 0.349 nan 8.150 nan 0.000 0.444 50 K N -0.577 119.755 120.400 -0.113 0.000 2.486 50 K HA -0.007 4.313 4.320 -0.000 0.000 0.194 50 K C -0.140 176.360 176.600 -0.167 0.000 1.033 50 K CA 0.457 56.691 56.287 -0.089 0.000 1.004 50 K CB -0.175 32.322 32.500 -0.005 0.000 0.798 50 K HN 0.389 nan 8.250 nan 0.000 0.495 51 K N 1.356 121.534 120.400 -0.371 0.000 3.071 51 K HA -0.183 4.137 4.320 -0.000 0.000 0.262 51 K C -0.906 175.507 176.600 -0.313 0.000 0.977 51 K CA 0.430 56.275 56.287 -0.737 0.000 0.721 51 K CB -0.822 31.370 32.500 -0.513 0.000 1.293 51 K HN 0.261 nan 8.250 nan 0.000 0.475 52 Q N 0.478 120.213 119.800 -0.108 0.000 2.288 52 Q HA 0.218 4.558 4.340 -0.000 0.000 0.258 52 Q C -2.090 174.069 176.000 0.265 0.000 0.957 52 Q CA -1.796 54.059 55.803 0.087 0.000 0.919 52 Q CB 1.025 29.820 28.738 0.096 0.000 1.185 52 Q HN 0.171 nan 8.270 nan 0.000 0.408 53 P HA 0.156 nan 4.420 nan 0.000 0.279 53 P C -0.310 177.131 177.300 0.236 0.000 1.252 53 P CA -0.485 62.809 63.100 0.323 0.000 0.811 53 P CB 1.059 32.894 31.700 0.225 0.000 1.035 54 V N 2.108 122.174 119.914 0.255 0.000 2.655 54 V HA 0.217 4.337 4.120 -0.000 0.000 0.300 54 V C 1.277 177.494 176.094 0.205 0.000 1.044 54 V CA 0.818 63.283 62.300 0.275 0.000 1.095 54 V CB 0.243 32.310 31.823 0.407 0.000 0.952 54 V HN 0.892 nan 8.190 nan 0.000 0.485 55 T N 1.327 115.986 114.554 0.176 0.000 2.742 55 T HA 0.342 4.692 4.350 -0.000 0.000 0.282 55 T C 0.475 175.224 174.700 0.081 0.000 1.025 55 T CA -0.736 61.421 62.100 0.096 0.000 1.020 55 T CB 1.649 70.544 68.868 0.045 0.000 1.317 55 T HN 0.448 nan 8.240 nan 0.000 0.538 56 Q N -0.315 119.469 119.800 -0.027 0.000 2.437 56 Q HA -0.021 4.319 4.340 -0.000 0.000 0.210 56 Q C 1.359 177.296 176.000 -0.105 0.000 0.972 56 Q CA 0.847 56.572 55.803 -0.130 0.000 0.903 56 Q CB 0.025 28.592 28.738 -0.285 0.000 0.967 56 Q HN 0.467 nan 8.270 nan 0.000 0.486 57 Q N -0.361 119.398 119.800 -0.068 0.000 2.282 57 Q HA 0.108 4.448 4.340 -0.000 0.000 0.206 57 Q C 0.000 175.995 176.000 -0.010 0.000 0.878 57 Q CA 0.286 56.021 55.803 -0.113 0.000 0.944 57 Q CB 0.970 29.609 28.738 -0.165 0.000 1.100 57 Q HN 0.159 nan 8.270 nan 0.000 0.509 58 T N 1.898 116.507 114.554 0.092 0.000 2.834 58 T HA 0.268 4.618 4.350 -0.000 0.000 0.298 58 T C 0.190 174.979 174.700 0.149 0.000 0.966 58 T CA -0.114 62.047 62.100 0.102 0.000 1.141 58 T CB 0.453 69.396 68.868 0.125 0.000 0.905 58 T HN -0.003 nan 8.240 nan 0.000 0.535 59 L N 4.294 125.545 121.223 0.048 0.000 2.292 59 L HA 0.500 4.840 4.340 -0.000 0.000 0.284 59 L C -0.389 176.483 176.870 0.002 0.000 1.065 59 L CA -0.164 54.707 54.840 0.051 0.000 0.806 59 L CB 0.303 42.296 42.059 -0.111 0.000 1.175 59 L HN 0.520 nan 8.230 nan 0.000 0.431 60 F N 0.577 120.542 119.950 0.024 0.000 2.522 60 F HA 0.416 4.943 4.527 -0.000 0.000 0.324 60 F C 0.465 176.016 175.800 -0.416 0.000 1.077 60 F CA -0.938 57.025 58.000 -0.061 0.000 0.944 60 F CB 1.325 40.433 39.000 0.180 0.000 1.175 60 F HN 0.400 nan 8.300 nan 0.000 0.468 61 E N 2.677 122.344 120.200 -0.887 0.000 2.290 61 E HA 0.172 4.522 4.350 -0.000 0.000 0.277 61 E C 0.516 177.022 176.600 -0.156 0.000 1.035 61 E CA -0.065 56.016 56.400 -0.531 0.000 0.873 61 E CB 0.886 30.201 29.700 -0.643 0.000 1.029 61 E HN 0.617 nan 8.360 nan 0.000 0.419 62 L N 2.870 124.086 121.223 -0.012 0.000 2.313 62 L HA 0.040 4.380 4.340 -0.000 0.000 0.214 62 L C 1.436 178.400 176.870 0.157 0.000 1.119 62 L CA 0.576 55.482 54.840 0.110 0.000 0.809 62 L CB -0.848 41.287 42.059 0.126 0.000 0.933 62 L HN 0.910 nan 8.230 nan 0.000 0.449 63 G N 0.559 109.454 108.800 0.158 0.000 2.574 63 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.286 63 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.286 63 G C 0.866 175.917 174.900 0.252 0.000 1.212 63 G CA 0.392 45.623 45.100 0.219 0.000 0.979 63 G HN 0.257 nan 8.290 nan 0.000 0.557 64 S N -0.232 115.612 115.700 0.240 0.000 2.440 64 S HA -0.061 4.409 4.470 -0.000 0.000 0.238 64 S C 2.313 177.052 174.600 0.231 0.000 1.010 64 S CA 1.629 59.990 58.200 0.269 0.000 0.972 64 S CB -0.186 63.189 63.200 0.292 0.000 0.774 64 S HN 0.937 nan 8.310 nan 0.000 0.501 65 V N 2.130 122.163 119.914 0.199 0.000 2.720 65 V HA -0.153 3.967 4.120 -0.000 0.000 0.256 65 V C 2.223 178.432 176.094 0.191 0.000 1.082 65 V CA 1.570 63.968 62.300 0.163 0.000 1.101 65 V CB -1.012 30.927 31.823 0.192 0.000 0.693 65 V HN 0.488 nan 8.190 nan 0.000 0.479 66 S N -0.131 115.712 115.700 0.238 0.000 2.419 66 S HA -0.228 4.242 4.470 -0.000 0.000 0.235 66 S C 1.873 176.640 174.600 0.277 0.000 1.019 66 S CA 1.226 59.605 58.200 0.298 0.000 0.982 66 S CB -0.293 63.022 63.200 0.191 0.000 0.789 66 S HN 0.651 nan 8.310 nan 0.000 0.490 67 K N 1.043 121.558 120.400 0.192 0.000 2.281 67 K HA -0.107 4.213 4.320 -0.000 0.000 0.203 67 K C 2.382 179.019 176.600 0.062 0.000 1.046 67 K CA 1.575 57.957 56.287 0.158 0.000 0.938 67 K CB -0.540 32.073 32.500 0.188 0.000 0.737 67 K HN 0.644 nan 8.250 nan 0.000 0.458 68 T N -1.260 113.237 114.554 -0.095 0.000 2.904 68 T HA -0.090 4.259 4.350 -0.000 0.000 0.267 68 T C 1.731 176.448 174.700 0.028 0.000 1.059 68 T CA 0.763 62.632 62.100 -0.386 0.000 1.137 68 T CB -0.343 67.907 68.868 -1.030 0.000 0.879 68 T HN 0.029 nan 8.240 nan 0.000 0.467 69 F N 2.122 122.140 119.950 0.113 0.000 2.206 69 F HA 0.075 4.602 4.527 0.000 0.000 0.298 69 F C 2.949 178.816 175.800 0.112 0.000 1.090 69 F CA 1.145 59.168 58.000 0.039 0.000 1.323 69 F CB -1.012 37.892 39.000 -0.160 0.000 1.028 69 F HN 0.131 nan 8.300 nan 0.000 0.492 70 T N -0.629 114.127 114.554 0.337 0.000 2.821 70 T HA -0.110 4.240 4.350 -0.000 0.000 0.267 70 T C 2.387 177.281 174.700 0.324 0.000 1.046 70 T CA 1.353 63.669 62.100 0.359 0.000 1.139 70 T CB -0.967 68.113 68.868 0.353 0.000 0.871 70 T HN 0.428 nan 8.240 nan 0.000 0.454 71 G N 1.078 110.035 108.800 0.262 0.000 2.418 71 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.217 71 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.217 71 G C 1.686 176.751 174.900 0.274 0.000 1.158 71 G CA 0.835 46.081 45.100 0.245 0.000 0.771 71 G HN 0.436 nan 8.290 nan 0.000 0.545 72 V N 0.617 120.708 119.914 0.294 0.000 2.427 72 V HA -0.094 4.026 4.120 -0.000 0.000 0.248 72 V C 2.655 178.876 176.094 0.212 0.000 1.051 72 V CA 1.496 63.979 62.300 0.305 0.000 1.048 72 V CB -0.356 31.758 31.823 0.485 0.000 0.666 72 V HN 0.340 nan 8.190 nan 0.000 0.456 73 L N 1.373 122.694 121.223 0.164 0.000 2.083 73 L HA 0.002 4.342 4.340 -0.000 0.000 0.209 73 L C 2.291 179.182 176.870 0.034 0.000 1.083 73 L CA 2.358 57.216 54.840 0.030 0.000 0.752 73 L CB -1.193 40.805 42.059 -0.103 0.000 0.899 73 L HN 0.261 nan 8.230 nan 0.000 0.433 74 G N -1.196 107.682 108.800 0.130 0.000 2.402 74 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.216 74 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.216 74 G C 1.514 176.520 174.900 0.176 0.000 1.162 74 G CA 0.482 45.669 45.100 0.145 0.000 0.777 74 G HN 0.571 nan 8.290 nan 0.000 0.539 75 G N 0.537 109.454 108.800 0.195 0.000 2.432 75 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.219 75 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.219 75 G C 1.424 176.384 174.900 0.100 0.000 1.135 75 G CA 1.318 46.512 45.100 0.158 0.000 0.767 75 G HN 0.515 nan 8.290 nan 0.000 0.550 76 D N 0.293 120.739 120.400 0.077 0.000 2.183 76 D HA 0.123 4.763 4.640 -0.000 0.000 0.203 76 D C 2.596 178.901 176.300 0.007 0.000 0.969 76 D CA 1.167 55.190 54.000 0.038 0.000 0.842 76 D CB -0.180 40.634 40.800 0.023 0.000 0.957 76 D HN 0.227 nan 8.370 nan 0.000 0.484 77 A N -0.042 122.771 122.820 -0.013 0.000 1.968 77 A HA -0.015 4.305 4.320 -0.000 0.000 0.217 77 A C 2.228 179.804 177.584 -0.014 0.000 1.169 77 A CA 0.689 52.700 52.037 -0.043 0.000 0.638 77 A CB -0.593 18.344 19.000 -0.106 0.000 0.812 77 A HN 0.353 nan 8.150 nan 0.000 0.446 78 I N -0.213 120.369 120.570 0.019 0.000 2.202 78 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 78 I C 2.967 179.107 176.117 0.038 0.000 1.091 78 I CA 1.061 62.386 61.300 0.042 0.000 1.368 78 I CB -0.387 37.661 38.000 0.079 0.000 1.058 78 I HN 0.326 nan 8.210 nan 0.000 0.410 79 A N 0.751 123.594 122.820 0.039 0.000 1.978 79 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 79 A C 2.299 179.895 177.584 0.019 0.000 1.170 79 A CA 1.520 53.576 52.037 0.031 0.000 0.636 79 A CB -0.614 18.405 19.000 0.031 0.000 0.810 79 A HN 0.346 nan 8.150 nan 0.000 0.448 80 R N -1.378 119.129 120.500 0.011 0.000 2.323 80 R HA 0.140 4.480 4.340 -0.000 0.000 0.198 80 R C 1.316 177.622 176.300 0.009 0.000 0.988 80 R CA 0.523 56.625 56.100 0.003 0.000 1.041 80 R CB -0.260 30.034 30.300 -0.011 0.000 0.926 80 R HN 0.705 nan 8.270 nan 0.000 0.476 81 G N 1.070 109.881 108.800 0.018 0.000 2.153 81 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.252 81 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.252 81 G C 0.525 175.446 174.900 0.034 0.000 0.994 81 G CA 0.674 45.791 45.100 0.028 0.000 0.698 81 G HN 0.474 nan 8.290 nan 0.000 0.521 82 E N -0.616 119.596 120.200 0.020 0.000 2.230 82 E HA 0.257 4.607 4.350 -0.000 0.000 0.192 82 E C 1.481 178.113 176.600 0.054 0.000 0.987 82 E CA 1.119 57.534 56.400 0.025 0.000 0.841 82 E CB 0.176 29.865 29.700 -0.018 0.000 0.783 82 E HN 0.908 nan 8.360 nan 0.000 0.481 83 I N -2.866 117.713 120.570 0.016 0.000 3.195 83 I HA 0.480 4.650 4.170 -0.000 0.000 0.313 83 I C -1.448 174.709 176.117 0.067 0.000 1.237 83 I CA -1.308 59.995 61.300 0.004 0.000 0.963 83 I CB 2.261 40.074 38.000 -0.312 0.000 1.278 83 I HN -0.358 nan 8.210 nan 0.000 0.460 84 K N 2.357 122.833 120.400 0.128 0.000 2.371 84 K HA 0.514 4.834 4.320 -0.000 0.000 0.251 84 K C 0.016 176.688 176.600 0.119 0.000 0.934 84 K CA -0.795 55.563 56.287 0.118 0.000 0.798 84 K CB 3.011 35.589 32.500 0.130 0.000 1.204 84 K HN 0.603 nan 8.250 nan 0.000 0.427 85 L N 1.013 122.288 121.223 0.088 0.000 2.291 85 L HA -0.140 4.200 4.340 -0.000 0.000 0.214 85 L C 1.962 178.861 176.870 0.049 0.000 1.120 85 L CA 1.211 56.085 54.840 0.056 0.000 0.799 85 L CB -0.239 41.808 42.059 -0.019 0.000 0.925 85 L HN 0.711 nan 8.230 nan 0.000 0.446 86 S N -2.614 113.127 115.700 0.069 0.000 2.561 86 S HA 0.004 4.474 4.470 -0.000 0.000 0.225 86 S C 0.597 175.262 174.600 0.109 0.000 0.977 86 S CA -0.236 58.004 58.200 0.065 0.000 0.926 86 S CB -0.329 62.908 63.200 0.062 0.000 0.769 86 S HN 0.230 nan 8.310 nan 0.000 0.533 87 D N 3.571 124.071 120.400 0.166 0.000 2.341 87 D HA 0.349 4.989 4.640 -0.000 0.000 0.245 87 D C -2.627 173.813 176.300 0.233 0.000 1.106 87 D CA -1.649 52.478 54.000 0.213 0.000 0.905 87 D CB 0.707 41.719 40.800 0.354 0.000 1.202 87 D HN 0.140 nan 8.370 nan 0.000 0.426 88 P HA 0.058 nan 4.420 nan 0.000 0.271 88 P C 0.752 178.201 177.300 0.247 0.000 1.218 88 P CA -0.075 63.145 63.100 0.199 0.000 0.780 88 P CB 0.585 32.366 31.700 0.135 0.000 0.901 89 T N 0.483 115.204 114.554 0.279 0.000 2.759 89 T HA -0.132 4.218 4.350 -0.000 0.000 0.269 89 T C 1.547 176.366 174.700 0.197 0.000 1.042 89 T CA 1.961 64.222 62.100 0.268 0.000 1.140 89 T CB -0.851 68.176 68.868 0.266 0.000 0.864 89 T HN 0.478 nan 8.240 nan 0.000 0.455 90 T N 1.553 116.180 114.554 0.121 0.000 2.881 90 T HA -0.056 4.294 4.350 -0.000 0.000 0.270 90 T C 1.868 176.572 174.700 0.006 0.000 1.068 90 T CA 0.903 63.028 62.100 0.042 0.000 1.131 90 T CB -0.131 68.748 68.868 0.018 0.000 0.871 90 T HN 0.416 nan 8.240 nan 0.000 0.479 91 K N 0.337 120.698 120.400 -0.064 0.000 2.103 91 K HA -0.142 4.178 4.320 -0.000 0.000 0.207 91 K C 1.214 177.555 176.600 -0.431 0.000 1.048 91 K CA 1.489 57.593 56.287 -0.305 0.000 0.930 91 K CB -0.135 32.050 32.500 -0.525 0.000 0.716 91 K HN 0.464 nan 8.250 nan 0.000 0.444 92 Y N -2.561 117.774 120.300 0.059 0.000 2.457 92 Y HA 0.074 4.624 4.550 -0.000 0.000 0.263 92 Y C 0.336 176.291 175.900 0.092 0.000 1.164 92 Y CA -0.509 57.613 58.100 0.037 0.000 1.274 92 Y CB 0.470 38.922 38.460 -0.013 0.000 1.097 92 Y HN 0.144 nan 8.280 nan 0.000 0.523 93 W N 2.160 123.451 121.300 -0.016 0.000 2.036 93 W HA 0.410 5.070 4.660 -0.000 0.000 0.294 93 W C -2.499 173.964 176.519 -0.093 0.000 0.948 93 W CA -3.770 53.530 57.345 -0.074 0.000 1.774 93 W CB 0.837 30.206 29.460 -0.151 0.000 1.950 93 W HN -0.085 nan 8.180 nan 0.000 0.384 94 P HA -0.257 nan 4.420 nan 0.000 0.218 94 P C 0.996 178.253 177.300 -0.072 0.000 1.152 94 P CA 2.430 65.542 63.100 0.020 0.000 0.857 94 P CB 0.411 32.133 31.700 0.036 0.000 0.787 95 E N -1.321 118.815 120.200 -0.107 0.000 2.347 95 E HA -0.070 4.280 4.350 -0.000 0.000 0.196 95 E C 0.531 176.826 176.600 -0.509 0.000 1.008 95 E CA 0.085 56.334 56.400 -0.250 0.000 0.852 95 E CB -0.417 29.183 29.700 -0.166 0.000 0.783 95 E HN 0.139 nan 8.360 nan 0.000 0.505 96 L N 2.044 122.810 121.223 -0.761 0.000 2.395 96 L HA 0.069 4.409 4.340 -0.000 0.000 0.268 96 L C 0.864 177.496 176.870 -0.396 0.000 1.223 96 L CA 0.442 54.779 54.840 -0.838 0.000 1.093 96 L CB -0.032 41.334 42.059 -1.154 0.000 1.349 96 L HN -0.005 nan 8.230 nan 0.000 0.427 97 T N -0.185 114.227 114.554 -0.237 0.000 3.044 97 T HA 0.355 4.705 4.350 -0.000 0.000 0.250 97 T C 0.954 175.671 174.700 0.029 0.000 1.081 97 T CA 0.233 62.287 62.100 -0.077 0.000 1.040 97 T CB -0.021 68.808 68.868 -0.066 0.000 0.962 97 T HN 0.545 nan 8.240 nan 0.000 0.506 98 A N 2.803 125.671 122.820 0.080 0.000 2.587 98 A HA 0.214 4.534 4.320 -0.000 0.000 0.233 98 A C 1.632 179.343 177.584 0.212 0.000 1.049 98 A CA 0.183 52.322 52.037 0.170 0.000 0.754 98 A CB 0.153 19.314 19.000 0.267 0.000 0.977 98 A HN 0.689 nan 8.150 nan 0.000 0.509 99 K N 1.640 122.106 120.400 0.110 0.000 2.280 99 K HA -0.212 4.108 4.320 -0.000 0.000 0.202 99 K C 1.421 178.055 176.600 0.056 0.000 1.047 99 K CA 1.451 57.785 56.287 0.078 0.000 0.942 99 K CB -0.061 32.456 32.500 0.028 0.000 0.739 99 K HN 0.820 nan 8.250 nan 0.000 0.457 100 Q N 0.377 120.180 119.800 0.005 0.000 2.437 100 Q HA -0.150 4.190 4.340 -0.000 0.000 0.210 100 Q C 0.835 176.734 176.000 -0.168 0.000 0.972 100 Q CA 1.078 56.789 55.803 -0.153 0.000 0.903 100 Q CB -0.417 28.116 28.738 -0.341 0.000 0.967 100 Q HN 0.595 nan 8.270 nan 0.000 0.486 101 W N 1.670 123.024 121.300 0.091 0.000 2.905 101 W HA 0.153 4.813 4.660 -0.000 0.000 0.251 101 W C 0.050 176.629 176.519 0.101 0.000 1.305 101 W CA -0.521 56.897 57.345 0.123 0.000 1.465 101 W CB 0.042 29.554 29.460 0.087 0.000 1.122 101 W HN 0.059 nan 8.180 nan 0.000 0.659 102 N N 0.375 119.207 118.700 0.220 0.000 2.447 102 N HA 0.302 5.042 4.740 -0.000 0.000 0.263 102 N C 1.016 176.615 175.510 0.148 0.000 1.226 102 N CA 1.892 55.040 53.050 0.163 0.000 0.906 102 N CB 0.544 39.093 38.487 0.104 0.000 1.060 102 N HN 0.177 nan 8.380 nan 0.000 0.468 103 G N 1.792 110.700 108.800 0.179 0.000 2.195 103 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.246 103 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.246 103 G C 0.088 175.151 174.900 0.272 0.000 0.984 103 G CA -0.419 44.796 45.100 0.191 0.000 0.633 103 G HN 0.519 nan 8.290 nan 0.000 0.525 104 I N 2.782 123.535 120.570 0.306 0.000 2.315 104 I HA 0.435 4.605 4.170 -0.000 0.000 0.291 104 I C 1.114 177.526 176.117 0.491 0.000 1.006 104 I CA 0.104 61.657 61.300 0.422 0.000 1.265 104 I CB 1.342 39.551 38.000 0.348 0.000 1.387 104 I HN 0.307 nan 8.210 nan 0.000 0.475 105 T N 3.105 117.993 114.554 0.557 0.000 2.937 105 T HA 0.474 4.824 4.350 -0.000 0.000 0.283 105 T C 1.201 176.023 174.700 0.203 0.000 1.012 105 T CA -0.874 61.378 62.100 0.254 0.000 0.997 105 T CB 1.392 70.293 68.868 0.055 0.000 1.136 105 T HN 0.414 nan 8.240 nan 0.000 0.551 106 L N 0.310 121.641 121.223 0.180 0.000 2.083 106 L HA -0.011 4.329 4.340 -0.000 0.000 0.209 106 L C 2.577 179.454 176.870 0.013 0.000 1.083 106 L CA 0.905 55.868 54.840 0.205 0.000 0.752 106 L CB -0.851 41.366 42.059 0.265 0.000 0.899 106 L HN 0.586 nan 8.230 nan 0.000 0.433 107 L N -0.182 120.983 121.223 -0.096 0.000 2.043 107 L HA -0.265 4.075 4.340 -0.000 0.000 0.212 107 L C 2.400 179.194 176.870 -0.126 0.000 1.075 107 L CA 2.002 56.710 54.840 -0.219 0.000 0.752 107 L CB -0.678 41.261 42.059 -0.201 0.000 0.891 107 L HN 0.245 nan 8.230 nan 0.000 0.432 108 H N -1.210 117.910 119.070 0.083 0.000 2.353 108 H HA -0.111 4.445 4.556 -0.000 0.000 0.300 108 H C 2.251 177.562 175.328 -0.027 0.000 1.090 108 H CA 1.609 57.693 56.048 0.060 0.000 1.327 108 H CB -0.141 29.686 29.762 0.107 0.000 1.383 108 H HN 0.314 nan 8.280 nan 0.000 0.508 109 L N 0.180 121.478 121.223 0.126 0.000 2.017 109 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 109 L C 2.830 179.610 176.870 -0.150 0.000 1.073 109 L CA 0.887 55.768 54.840 0.068 0.000 0.745 109 L CB -0.507 41.660 42.059 0.181 0.000 0.894 109 L HN 0.357 nan 8.230 nan 0.000 0.432 110 A N -0.253 122.290 122.820 -0.460 0.000 1.972 110 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 110 A C 2.070 179.211 177.584 -0.737 0.000 1.169 110 A CA 2.149 53.664 52.037 -0.869 0.000 0.635 110 A CB -0.748 17.317 19.000 -1.557 0.000 0.810 110 A HN 0.526 nan 8.150 nan 0.000 0.446 111 T N -6.163 108.067 114.554 -0.540 0.000 3.176 111 T HA 0.341 4.691 4.350 -0.000 0.000 0.263 111 T C 0.163 174.578 174.700 -0.475 0.000 1.021 111 T CA 0.119 61.901 62.100 -0.529 0.000 0.905 111 T CB -0.562 68.307 68.868 0.002 0.000 1.057 111 T HN 0.650 nan 8.240 nan 0.000 0.558 112 Y N 0.845 121.112 120.300 -0.055 0.000 4.177 112 Y HA -0.251 4.299 4.550 0.000 0.000 0.227 112 Y C 1.129 176.977 175.900 -0.087 0.000 1.154 112 Y CA 0.516 58.586 58.100 -0.051 0.000 1.887 112 Y CB -3.193 35.252 38.460 -0.026 0.000 1.594 112 Y HN 0.626 nan 8.280 nan 0.000 0.668 113 T N -4.423 110.101 114.554 -0.049 0.000 3.266 113 T HA 0.713 5.063 4.350 -0.000 0.000 0.278 113 T C 1.337 175.992 174.700 -0.076 0.000 1.010 113 T CA 0.132 62.125 62.100 -0.179 0.000 0.909 113 T CB 0.586 69.077 68.868 -0.629 0.000 1.122 113 T HN 0.487 nan 8.240 nan 0.000 0.536 114 A N 1.120 123.962 122.820 0.037 0.000 2.119 114 A HA 0.600 4.920 4.320 -0.000 0.000 0.216 114 A C 1.884 179.537 177.584 0.116 0.000 1.152 114 A CA 0.532 52.582 52.037 0.022 0.000 0.708 114 A CB -0.702 18.310 19.000 0.021 0.000 0.805 114 A HN 1.450 nan 8.150 nan 0.000 0.460 115 G N -3.129 105.811 108.800 0.233 0.000 2.157 115 G HA2 0.387 4.347 3.960 -0.000 0.000 0.118 115 G HA3 0.387 4.347 3.960 -0.000 0.000 0.118 115 G C 0.993 176.218 174.900 0.542 0.000 1.032 115 G CA 0.370 45.704 45.100 0.389 0.000 0.697 115 G HN 1.958 nan 8.290 nan 0.000 0.495 116 G N -0.918 108.225 108.800 0.572 0.000 2.141 116 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.164 116 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.164 116 G C 0.418 175.606 174.900 0.480 0.000 1.009 116 G CA -0.014 45.385 45.100 0.497 0.000 0.677 116 G HN 1.199 nan 8.290 nan 0.000 0.508 117 L N 2.158 123.526 121.223 0.242 0.000 2.485 117 L HA 0.278 4.618 4.340 -0.000 0.000 0.275 117 L C -0.805 176.139 176.870 0.124 0.000 1.207 117 L CA -1.314 53.459 54.840 -0.112 0.000 0.855 117 L CB 0.374 42.236 42.059 -0.328 0.000 1.114 117 L HN 0.087 nan 8.230 nan 0.000 0.485 118 P HA -0.062 nan 4.420 nan 0.000 0.271 118 P C 0.528 177.909 177.300 0.136 0.000 1.218 118 P CA -0.439 62.774 63.100 0.188 0.000 0.780 118 P CB 1.005 32.854 31.700 0.249 0.000 0.901 119 L N 1.394 122.684 121.223 0.111 0.000 2.043 119 L HA -0.153 4.187 4.340 -0.000 0.000 0.212 119 L C 0.906 177.816 176.870 0.067 0.000 1.075 119 L CA 2.014 56.901 54.840 0.079 0.000 0.752 119 L CB -0.622 41.492 42.059 0.093 0.000 0.891 119 L HN 0.399 nan 8.230 nan 0.000 0.432 120 Q N -0.590 119.250 119.800 0.067 0.000 2.377 120 Q HA 0.397 4.737 4.340 -0.000 0.000 0.271 120 Q C -0.884 175.120 176.000 0.006 0.000 1.077 120 Q CA -0.917 54.911 55.803 0.042 0.000 0.820 120 Q CB 2.292 31.035 28.738 0.009 0.000 1.347 120 Q HN -0.087 nan 8.270 nan 0.000 0.444 121 V N 3.078 122.967 119.914 -0.042 0.000 2.614 121 V HA 0.134 4.254 4.120 -0.000 0.000 0.291 121 V C -1.992 173.918 176.094 -0.307 0.000 1.049 121 V CA -1.168 60.959 62.300 -0.289 0.000 1.038 121 V CB 0.506 32.210 31.823 -0.198 0.000 0.980 121 V HN 0.597 nan 8.190 nan 0.000 0.481 122 P HA 0.017 nan 4.420 nan 0.000 0.265 122 P C 0.430 177.623 177.300 -0.180 0.000 1.187 122 P CA 0.090 63.032 63.100 -0.263 0.000 0.766 122 P CB 0.441 31.967 31.700 -0.290 0.000 0.820 123 D N 1.865 122.210 120.400 -0.092 0.000 2.182 123 D HA -0.150 4.490 4.640 -0.000 0.000 0.201 123 D C 1.276 177.546 176.300 -0.051 0.000 0.986 123 D CA 1.396 55.364 54.000 -0.052 0.000 0.847 123 D CB -0.002 40.785 40.800 -0.022 0.000 0.942 123 D HN 0.475 nan 8.370 nan 0.000 0.467 124 E N -0.243 119.920 120.200 -0.061 0.000 2.274 124 E HA -0.014 4.336 4.350 -0.000 0.000 0.194 124 E C 0.389 176.958 176.600 -0.052 0.000 0.996 124 E CA 0.033 56.407 56.400 -0.043 0.000 0.840 124 E CB 0.240 29.922 29.700 -0.031 0.000 0.772 124 E HN 0.034 nan 8.360 nan 0.000 0.491 125 V N 1.909 121.761 119.914 -0.103 0.000 2.479 125 V HA 0.015 4.135 4.120 -0.000 0.000 0.281 125 V C 0.911 176.973 176.094 -0.053 0.000 1.031 125 V CA 0.564 62.806 62.300 -0.097 0.000 1.038 125 V CB 1.060 32.749 31.823 -0.223 0.000 0.981 125 V HN 0.172 nan 8.190 nan 0.000 0.478 126 K N 2.298 122.690 120.400 -0.014 0.000 2.642 126 K HA 0.189 4.509 4.320 -0.000 0.000 0.214 126 K C 0.947 177.554 176.600 0.013 0.000 1.451 126 K CA 0.288 56.574 56.287 -0.002 0.000 0.917 126 K CB 0.128 32.629 32.500 0.002 0.000 1.779 126 K HN 0.663 nan 8.250 nan 0.000 0.447 127 S N 0.890 116.605 115.700 0.025 0.000 2.596 127 S HA 0.078 4.548 4.470 -0.000 0.000 0.260 127 S C 1.095 175.731 174.600 0.061 0.000 1.336 127 S CA -0.325 57.896 58.200 0.035 0.000 0.993 127 S CB 1.347 64.570 63.200 0.038 0.000 0.923 127 S HN 0.153 nan 8.310 nan 0.000 0.567 128 S N 0.852 116.590 115.700 0.063 0.000 2.419 128 S HA -0.095 4.375 4.470 -0.000 0.000 0.233 128 S C 2.078 176.772 174.600 0.157 0.000 1.016 128 S CA 1.120 59.379 58.200 0.098 0.000 0.974 128 S CB -0.667 62.575 63.200 0.069 0.000 0.786 128 S HN 0.775 nan 8.310 nan 0.000 0.492 129 S N 1.623 117.392 115.700 0.115 0.000 2.348 129 S HA -0.164 4.306 4.470 -0.000 0.000 0.221 129 S C 1.535 176.212 174.600 0.129 0.000 1.033 129 S CA 1.439 59.707 58.200 0.113 0.000 1.010 129 S CB -0.496 62.749 63.200 0.075 0.000 0.891 129 S HN 0.416 nan 8.310 nan 0.000 0.442 130 D N 0.903 121.369 120.400 0.110 0.000 2.117 130 D HA -0.070 4.570 4.640 -0.000 0.000 0.197 130 D C 1.917 178.322 176.300 0.175 0.000 0.987 130 D CA 0.739 54.804 54.000 0.109 0.000 0.829 130 D CB -0.517 40.318 40.800 0.059 0.000 0.961 130 D HN 0.313 nan 8.370 nan 0.000 0.460 131 L N 0.545 121.897 121.223 0.216 0.000 2.017 131 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 131 L C 2.185 179.377 176.870 0.537 0.000 1.073 131 L CA 1.129 56.187 54.840 0.362 0.000 0.745 131 L CB -0.521 41.748 42.059 0.350 0.000 0.894 131 L HN 0.022 nan 8.230 nan 0.000 0.432 132 L N -0.497 121.004 121.223 0.464 0.000 2.017 132 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 132 L C 2.666 179.630 176.870 0.156 0.000 1.073 132 L CA 1.819 56.834 54.840 0.292 0.000 0.745 132 L CB -0.712 41.456 42.059 0.182 0.000 0.894 132 L HN 0.238 nan 8.230 nan 0.000 0.432 133 R N -1.464 119.138 120.500 0.170 0.000 2.091 133 R HA -0.248 4.092 4.340 -0.000 0.000 0.238 133 R C 2.288 178.704 176.300 0.194 0.000 1.136 133 R CA 2.047 58.232 56.100 0.141 0.000 0.959 133 R CB -0.627 29.751 30.300 0.129 0.000 0.856 133 R HN 0.485 nan 8.270 nan 0.000 0.437 134 F N 0.093 120.076 119.950 0.055 0.000 2.069 134 F HA -0.255 4.272 4.527 0.000 0.000 0.298 134 F C 1.501 177.336 175.800 0.059 0.000 1.113 134 F CA 1.574 59.568 58.000 -0.010 0.000 1.214 134 F CB -0.749 38.156 39.000 -0.159 0.000 0.978 134 F HN 0.021 nan 8.300 nan 0.000 0.474 135 Y N 0.531 120.817 120.300 -0.023 0.000 2.242 135 Y HA -0.160 4.390 4.550 0.000 0.000 0.291 135 Y C 2.668 178.721 175.900 0.255 0.000 1.137 135 Y CA 1.549 59.647 58.100 -0.004 0.000 1.181 135 Y CB -0.974 37.437 38.460 -0.081 0.000 0.989 135 Y HN 0.139 nan 8.280 nan 0.000 0.527 136 Q N 0.082 120.004 119.800 0.203 0.000 2.170 136 Q HA -0.177 4.163 4.340 -0.000 0.000 0.203 136 Q C 1.439 177.576 176.000 0.229 0.000 0.976 136 Q CA 1.427 57.341 55.803 0.185 0.000 0.858 136 Q CB -0.517 28.237 28.738 0.027 0.000 0.907 136 Q HN 0.665 nan 8.270 nan 0.000 0.433 137 N N -0.881 117.924 118.700 0.175 0.000 2.424 137 N HA -0.060 4.680 4.740 -0.000 0.000 0.178 137 N C 0.011 175.584 175.510 0.104 0.000 1.060 137 N CA -0.380 52.741 53.050 0.118 0.000 0.901 137 N CB 0.147 38.698 38.487 0.107 0.000 0.979 137 N HN 0.164 nan 8.380 nan 0.000 0.451 138 W N 2.874 124.132 121.300 -0.071 0.000 2.264 138 W HA 0.021 4.681 4.660 -0.000 0.000 0.331 138 W C -0.542 175.885 176.519 -0.153 0.000 1.364 138 W CA 0.144 57.396 57.345 -0.154 0.000 1.253 138 W CB 0.518 29.831 29.460 -0.245 0.000 1.215 138 W HN -0.051 nan 8.180 nan 0.000 0.561 139 Q N 8.337 127.551 119.800 -0.976 0.000 2.331 139 Q HA 0.334 4.674 4.340 -0.000 0.000 0.267 139 Q C -2.094 172.985 176.000 -1.535 0.000 1.006 139 Q CA -2.078 53.110 55.803 -1.026 0.000 0.818 139 Q CB 1.484 29.902 28.738 -0.532 0.000 1.276 139 Q HN 0.398 nan 8.270 nan 0.000 0.450 140 P HA 0.116 nan 4.420 nan 0.000 0.271 140 P C -0.285 176.605 177.300 -0.683 0.000 1.218 140 P CA 0.022 62.428 63.100 -1.157 0.000 0.780 140 P CB 1.110 32.313 31.700 -0.829 0.000 0.901 141 A N 2.833 125.259 122.820 -0.657 0.000 2.072 141 A HA 0.122 4.442 4.320 -0.000 0.000 0.216 141 A C 0.442 177.372 177.584 -1.090 0.000 1.156 141 A CA 0.595 52.025 52.037 -1.012 0.000 0.701 141 A CB -0.190 17.813 19.000 -1.662 0.000 0.816 141 A HN 0.602 nan 8.150 nan 0.000 0.458 142 W N -2.856 118.387 121.300 -0.094 0.000 3.042 142 W HA 0.636 5.296 4.660 -0.000 0.000 0.342 142 W C 0.012 176.471 176.519 -0.100 0.000 1.240 142 W CA -1.213 56.084 57.345 -0.081 0.000 1.166 142 W CB 0.944 30.372 29.460 -0.053 0.000 1.469 142 W HN 0.122 nan 8.180 nan 0.000 0.579 143 A N 3.043 125.951 122.820 0.147 0.000 2.386 143 A HA 0.532 4.852 4.320 -0.000 0.000 0.246 143 A C -2.067 175.526 177.584 0.016 0.000 1.089 143 A CA -0.800 51.260 52.037 0.039 0.000 0.790 143 A CB -0.740 18.280 19.000 0.034 0.000 1.042 143 A HN 0.164 nan 8.150 nan 0.000 0.497 144 P HA 0.281 nan 4.420 nan 0.000 0.275 144 P C 0.657 177.809 177.300 -0.246 0.000 1.228 144 P CA 1.281 64.208 63.100 -0.288 0.000 0.786 144 P CB 0.789 32.186 31.700 -0.505 0.000 0.927 145 G N 1.745 110.364 108.800 -0.302 0.000 2.160 145 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.251 145 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.251 145 G C 0.601 175.445 174.900 -0.093 0.000 1.008 145 G CA 0.762 45.826 45.100 -0.060 0.000 0.724 145 G HN 0.749 nan 8.290 nan 0.000 0.514 146 T N -4.860 109.605 114.554 -0.149 0.000 2.987 146 T HA 0.451 4.801 4.350 -0.000 0.000 0.248 146 T C 0.564 175.117 174.700 -0.245 0.000 0.997 146 T CA 0.770 62.799 62.100 -0.117 0.000 1.013 146 T CB 0.666 69.506 68.868 -0.046 0.000 1.077 146 T HN 0.283 nan 8.240 nan 0.000 0.483 147 Q N 0.938 120.542 119.800 -0.326 0.000 2.372 147 Q HA 0.482 4.822 4.340 -0.000 0.000 0.273 147 Q C -1.362 174.434 176.000 -0.340 0.000 1.078 147 Q CA -0.528 54.996 55.803 -0.466 0.000 0.806 147 Q CB 3.170 31.310 28.738 -0.996 0.000 1.332 147 Q HN 0.374 nan 8.270 nan 0.000 0.435 148 R N 2.177 122.512 120.500 -0.276 0.000 2.255 148 R HA 0.540 4.880 4.340 -0.000 0.000 0.326 148 R C -1.237 175.039 176.300 -0.040 0.000 0.986 148 R CA -0.588 55.442 56.100 -0.116 0.000 0.847 148 R CB 0.511 30.784 30.300 -0.045 0.000 1.111 148 R HN 0.448 nan 8.270 nan 0.000 0.452 149 L N 6.017 127.285 121.223 0.074 0.000 2.427 149 L HA 0.265 4.605 4.340 -0.000 0.000 0.264 149 L C -1.396 175.516 176.870 0.069 0.000 0.989 149 L CA -0.716 54.191 54.840 0.112 0.000 0.865 149 L CB 0.985 43.194 42.059 0.249 0.000 1.209 149 L HN 0.620 nan 8.230 nan 0.000 0.430 150 Y N 4.705 124.893 120.300 -0.186 0.000 2.881 150 Y HA 0.336 4.886 4.550 -0.000 0.000 0.335 150 Y C 0.074 175.783 175.900 -0.319 0.000 1.263 150 Y CA 1.010 58.780 58.100 -0.550 0.000 1.572 150 Y CB 0.431 38.639 38.460 -0.420 0.000 1.237 150 Y HN 0.818 nan 8.280 nan 0.000 0.568 151 A N 5.695 128.047 122.820 -0.780 0.000 2.456 151 A HA 0.297 4.617 4.320 -0.000 0.000 0.288 151 A C -0.063 177.404 177.584 -0.196 0.000 1.042 151 A CA -0.918 50.949 52.037 -0.282 0.000 0.738 151 A CB 0.792 19.790 19.000 -0.002 0.000 1.266 151 A HN 0.800 nan 8.150 nan 0.000 0.407 152 N N 1.175 119.818 118.700 -0.095 0.000 2.244 152 N HA -0.141 4.599 4.740 -0.000 0.000 0.183 152 N C 1.906 177.487 175.510 0.119 0.000 1.016 152 N CA 1.873 54.947 53.050 0.040 0.000 0.866 152 N CB -0.081 38.497 38.487 0.153 0.000 0.980 152 N HN 0.808 nan 8.380 nan 0.000 0.430 153 S N -1.228 114.567 115.700 0.158 0.000 2.515 153 S HA 0.065 4.535 4.470 -0.000 0.000 0.231 153 S C 1.969 176.747 174.600 0.296 0.000 0.987 153 S CA 0.687 59.062 58.200 0.291 0.000 0.936 153 S CB 0.056 63.474 63.200 0.364 0.000 0.766 153 S HN 0.189 nan 8.310 nan 0.000 0.528 154 S N 1.384 117.197 115.700 0.188 0.000 2.324 154 S HA 0.252 4.722 4.470 -0.000 0.000 0.210 154 S C 1.620 176.311 174.600 0.153 0.000 1.027 154 S CA 0.406 58.707 58.200 0.168 0.000 0.945 154 S CB -0.576 62.738 63.200 0.191 0.000 0.908 154 S HN 0.535 nan 8.310 nan 0.000 0.496 155 I N 1.360 122.027 120.570 0.162 0.000 2.454 155 I HA -0.041 4.129 4.170 -0.000 0.000 0.254 155 I C 2.092 178.289 176.117 0.134 0.000 1.156 155 I CA 1.252 62.635 61.300 0.138 0.000 1.433 155 I CB -0.577 37.502 38.000 0.132 0.000 1.082 155 I HN 0.495 nan 8.210 nan 0.000 0.432 156 G N 0.856 109.702 108.800 0.078 0.000 2.422 156 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.218 156 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.218 156 G C 1.522 176.378 174.900 -0.074 0.000 1.146 156 G CA 0.765 45.845 45.100 -0.034 0.000 0.769 156 G HN 0.385 nan 8.290 nan 0.000 0.547 157 L N -0.365 120.864 121.223 0.011 0.000 2.109 157 L HA 0.213 4.553 4.340 -0.000 0.000 0.207 157 L C 2.371 179.186 176.870 -0.092 0.000 1.086 157 L CA 1.182 55.957 54.840 -0.108 0.000 0.760 157 L CB -0.693 41.242 42.059 -0.207 0.000 0.910 157 L HN 0.211 nan 8.230 nan 0.000 0.437 158 F N 0.546 120.426 119.950 -0.117 0.000 2.065 158 F HA -0.122 4.405 4.527 -0.000 0.000 0.298 158 F C 2.219 177.948 175.800 -0.117 0.000 1.112 158 F CA 1.893 59.828 58.000 -0.108 0.000 1.212 158 F CB -1.094 37.856 39.000 -0.083 0.000 0.975 158 F HN 0.121 nan 8.300 nan 0.000 0.476 159 G N -0.367 108.296 108.800 -0.228 0.000 2.446 159 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.217 159 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.217 159 G C 1.823 176.556 174.900 -0.279 0.000 1.168 159 G CA 1.100 46.036 45.100 -0.272 0.000 0.771 159 G HN 0.683 nan 8.290 nan 0.000 0.551 160 A N 0.437 123.037 122.820 -0.366 0.000 1.902 160 A HA 0.125 4.445 4.320 -0.000 0.000 0.217 160 A C 2.429 179.831 177.584 -0.303 0.000 1.181 160 A CA 1.303 53.150 52.037 -0.316 0.000 0.623 160 A CB -0.332 18.447 19.000 -0.369 0.000 0.818 160 A HN 0.364 nan 8.150 nan 0.000 0.443 161 L N -1.062 119.951 121.223 -0.351 0.000 2.179 161 L HA -0.064 4.276 4.340 -0.000 0.000 0.208 161 L C 2.997 179.628 176.870 -0.398 0.000 1.096 161 L CA 0.767 55.413 54.840 -0.323 0.000 0.779 161 L CB -0.619 41.294 42.059 -0.242 0.000 0.922 161 L HN 0.409 nan 8.230 nan 0.000 0.443 162 A N 0.553 123.049 122.820 -0.541 0.000 1.978 162 A HA -0.152 4.168 4.320 -0.000 0.000 0.220 162 A C 2.168 179.544 177.584 -0.347 0.000 1.170 162 A CA 1.953 53.637 52.037 -0.588 0.000 0.636 162 A CB -0.726 17.771 19.000 -0.838 0.000 0.810 162 A HN 0.347 nan 8.150 nan 0.000 0.448 163 V N -3.893 115.882 119.914 -0.232 0.000 3.608 163 V HA 0.059 4.179 4.120 -0.000 0.000 0.269 163 V C 1.692 177.713 176.094 -0.121 0.000 1.245 163 V CA 0.925 63.132 62.300 -0.155 0.000 1.138 163 V CB -0.434 31.325 31.823 -0.106 0.000 0.841 163 V HN 0.232 nan 8.190 nan 0.000 0.451 164 K N 1.478 121.803 120.400 -0.125 0.000 2.032 164 K HA -0.063 4.257 4.320 -0.000 0.000 0.209 164 K C 0.264 176.850 176.600 -0.022 0.000 1.048 164 K CA 1.998 58.244 56.287 -0.068 0.000 0.927 164 K CB -1.938 30.540 32.500 -0.038 0.000 0.712 164 K HN 0.451 nan 8.250 nan 0.000 0.441 165 P HA -0.153 nan 4.420 nan 0.000 0.216 165 P C 1.544 178.840 177.300 -0.007 0.000 1.150 165 P CA 1.830 64.950 63.100 0.034 0.000 0.843 165 P CB -0.082 31.652 31.700 0.056 0.000 0.787 166 S N -1.842 113.834 115.700 -0.040 0.000 2.453 166 S HA 0.067 4.537 4.470 -0.000 0.000 0.231 166 S C 1.876 176.449 174.600 -0.046 0.000 1.005 166 S CA 1.024 59.194 58.200 -0.049 0.000 0.949 166 S CB -1.389 61.764 63.200 -0.077 0.000 0.774 166 S HN 0.305 nan 8.310 nan 0.000 0.510 167 G N 0.670 109.443 108.800 -0.046 0.000 2.184 167 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.264 167 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.264 167 G C -0.004 174.865 174.900 -0.052 0.000 0.975 167 G CA 0.510 45.585 45.100 -0.042 0.000 0.642 167 G HN 0.575 nan 8.290 nan 0.000 0.536 168 L N 1.579 122.762 121.223 -0.068 0.000 2.399 168 L HA 0.584 4.923 4.340 -0.000 0.000 0.266 168 L C 1.519 178.343 176.870 -0.077 0.000 1.114 168 L CA -0.236 54.557 54.840 -0.079 0.000 0.804 168 L CB 1.308 43.304 42.059 -0.106 0.000 1.146 168 L HN 0.398 nan 8.230 nan 0.000 0.451 169 S N 0.426 116.084 115.700 -0.069 0.000 2.608 169 S HA 0.054 4.524 4.470 -0.000 0.000 0.261 169 S C 0.822 175.393 174.600 -0.048 0.000 1.314 169 S CA -0.353 57.822 58.200 -0.043 0.000 0.992 169 S CB 0.478 63.659 63.200 -0.031 0.000 0.935 169 S HN 0.542 nan 8.310 nan 0.000 0.564 170 F N 1.071 120.933 119.950 -0.148 0.000 2.102 170 F HA -0.063 4.464 4.527 -0.000 0.000 0.298 170 F C 2.524 178.213 175.800 -0.184 0.000 1.105 170 F CA 2.177 60.072 58.000 -0.173 0.000 1.239 170 F CB -0.476 38.420 39.000 -0.173 0.000 0.991 170 F HN 0.937 nan 8.300 nan 0.000 0.474 171 E N -0.371 119.782 120.200 -0.078 0.000 2.077 171 E HA -0.295 4.055 4.350 -0.000 0.000 0.193 171 E C 2.303 178.745 176.600 -0.264 0.000 0.989 171 E CA 1.462 57.757 56.400 -0.174 0.000 0.800 171 E CB -0.346 29.341 29.700 -0.022 0.000 0.746 171 E HN 0.583 nan 8.360 nan 0.000 0.452 172 Q N -0.552 119.134 119.800 -0.190 0.000 2.172 172 Q HA -0.109 4.231 4.340 -0.000 0.000 0.200 172 Q C 2.012 177.855 176.000 -0.262 0.000 0.964 172 Q CA 0.981 56.673 55.803 -0.185 0.000 0.855 172 Q CB -0.014 28.654 28.738 -0.117 0.000 0.918 172 Q HN 0.367 nan 8.270 nan 0.000 0.444 173 A N 0.568 123.198 122.820 -0.317 0.000 1.873 173 A HA -0.212 4.108 4.320 -0.000 0.000 0.215 173 A C 1.970 179.271 177.584 -0.473 0.000 1.186 173 A CA 1.511 53.342 52.037 -0.343 0.000 0.616 173 A CB -0.500 18.291 19.000 -0.348 0.000 0.823 173 A HN 0.434 nan 8.150 nan 0.000 0.442 174 M N 0.099 119.277 119.600 -0.705 0.000 2.086 174 M HA -0.205 4.275 4.480 -0.000 0.000 0.261 174 M C 2.188 177.912 176.300 -0.961 0.000 1.067 174 M CA 2.046 56.791 55.300 -0.925 0.000 1.116 174 M CB -0.628 31.247 32.600 -1.208 0.000 1.348 174 M HN 0.531 nan 8.290 nan 0.000 0.407 175 Q N -1.048 118.308 119.800 -0.739 0.000 2.020 175 Q HA -0.171 4.169 4.340 -0.000 0.000 0.202 175 Q C 1.950 177.773 176.000 -0.295 0.000 0.982 175 Q CA 2.355 57.869 55.803 -0.481 0.000 0.838 175 Q CB -0.759 27.820 28.738 -0.265 0.000 0.899 175 Q HN 0.767 nan 8.270 nan 0.000 0.423 176 T N -1.743 112.661 114.554 -0.250 0.000 3.023 176 T HA 0.019 4.369 4.350 -0.000 0.000 0.266 176 T C 1.717 176.330 174.700 -0.145 0.000 1.093 176 T CA 0.555 62.558 62.100 -0.163 0.000 1.129 176 T CB 0.044 68.832 68.868 -0.133 0.000 0.899 176 T HN 0.146 nan 8.240 nan 0.000 0.491 177 R N -0.193 120.192 120.500 -0.192 0.000 2.282 177 R HA 0.385 4.725 4.340 -0.000 0.000 0.195 177 R C 1.520 177.766 176.300 -0.090 0.000 0.909 177 R CA 0.214 56.233 56.100 -0.134 0.000 1.039 177 R CB 0.458 30.668 30.300 -0.150 0.000 1.015 177 R HN 0.292 nan 8.270 nan 0.000 0.513 178 V N -1.032 118.798 119.914 -0.139 0.000 3.134 178 V HA 0.027 4.147 4.120 -0.000 0.000 0.222 178 V C 1.363 177.536 176.094 0.132 0.000 1.247 178 V CA 0.427 62.729 62.300 0.003 0.000 1.281 178 V CB -0.348 31.447 31.823 -0.046 0.000 1.169 178 V HN -0.030 nan 8.190 nan 0.000 0.512 179 F N 1.522 121.394 119.950 -0.130 0.000 2.095 179 F HA -0.163 4.364 4.527 -0.000 0.000 0.298 179 F C 2.602 178.314 175.800 -0.146 0.000 1.104 179 F CA 1.554 59.444 58.000 -0.183 0.000 1.232 179 F CB -1.261 37.521 39.000 -0.362 0.000 0.987 179 F HN 0.206 nan 8.300 nan 0.000 0.475 180 Q N -0.286 119.538 119.800 0.040 0.000 2.046 180 Q HA -0.135 4.205 4.340 -0.000 0.000 0.200 180 Q C -0.306 175.695 176.000 0.002 0.000 0.975 180 Q CA 1.658 57.449 55.803 -0.020 0.000 0.836 180 Q CB -1.425 27.278 28.738 -0.057 0.000 0.896 180 Q HN 0.263 nan 8.270 nan 0.000 0.428 181 P HA -0.158 nan 4.420 nan 0.000 0.216 181 P C 0.625 177.952 177.300 0.046 0.000 1.150 181 P CA 1.204 64.318 63.100 0.023 0.000 0.837 181 P CB 0.056 31.772 31.700 0.027 0.000 0.786 182 L N -1.389 119.887 121.223 0.089 0.000 2.591 182 L HA 0.125 4.465 4.340 -0.000 0.000 0.228 182 L C 0.415 177.332 176.870 0.078 0.000 1.133 182 L CA 0.167 55.076 54.840 0.116 0.000 0.880 182 L CB -0.711 41.489 42.059 0.234 0.000 1.033 182 L HN -0.017 nan 8.230 nan 0.000 0.450 183 K N 0.820 121.241 120.400 0.035 0.000 3.096 183 K HA -0.171 4.149 4.320 -0.000 0.000 0.266 183 K C -0.268 176.319 176.600 -0.021 0.000 1.043 183 K CA 0.414 56.699 56.287 -0.002 0.000 0.758 183 K CB -1.826 30.678 32.500 0.007 0.000 1.260 183 K HN 0.345 nan 8.250 nan 0.000 0.481 184 L N 1.465 122.659 121.223 -0.048 0.000 2.389 184 L HA 0.125 4.465 4.340 -0.000 0.000 0.265 184 L C 1.026 177.718 176.870 -0.297 0.000 1.167 184 L CA -0.509 54.243 54.840 -0.146 0.000 1.045 184 L CB 0.135 42.057 42.059 -0.228 0.000 1.351 184 L HN 0.152 nan 8.230 nan 0.000 0.419 185 N N 0.371 118.924 118.700 -0.244 0.000 2.521 185 N HA -0.042 4.697 4.740 -0.000 0.000 0.188 185 N C 0.666 175.748 175.510 -0.714 0.000 1.146 185 N CA 0.723 53.521 53.050 -0.420 0.000 0.893 185 N CB 0.190 38.478 38.487 -0.331 0.000 0.975 185 N HN 0.519 nan 8.380 nan 0.000 0.451 186 H N -0.817 118.105 119.070 -0.247 0.000 2.651 186 H HA 0.262 4.818 4.556 -0.000 0.000 0.241 186 H C -0.348 174.807 175.328 -0.288 0.000 1.225 186 H CA -0.092 55.868 56.048 -0.147 0.000 0.942 186 H CB 0.437 30.174 29.762 -0.041 0.000 1.996 186 H HN -0.118 nan 8.280 nan 0.000 0.600 187 T N 0.707 114.870 114.554 -0.652 0.000 2.807 187 T HA 0.367 4.717 4.350 -0.000 0.000 0.279 187 T C -0.656 173.368 174.700 -1.127 0.000 0.993 187 T CA -0.425 61.142 62.100 -0.889 0.000 0.970 187 T CB 1.535 69.588 68.868 -1.358 0.000 0.950 187 T HN 0.237 nan 8.240 nan 0.000 0.441 188 W N 1.543 122.536 121.300 -0.512 0.000 3.217 188 W HA 0.528 5.188 4.660 0.000 0.000 0.323 188 W C 0.560 176.968 176.519 -0.186 0.000 1.216 188 W CA -0.802 56.390 57.345 -0.255 0.000 1.194 188 W CB 1.253 30.562 29.460 -0.251 0.000 1.397 188 W HN 0.494 nan 8.180 nan 0.000 0.537 189 I N 1.471 122.174 120.570 0.222 0.000 2.494 189 I HA -0.027 4.143 4.170 -0.000 0.000 0.250 189 I C 0.292 176.439 176.117 0.049 0.000 1.112 189 I CA 0.820 62.177 61.300 0.095 0.000 1.438 189 I CB 0.005 38.067 38.000 0.104 0.000 1.111 189 I HN 0.273 nan 8.210 nan 0.000 0.431 190 N N 1.352 120.115 118.700 0.105 0.000 2.479 190 N HA 0.233 4.973 4.740 -0.000 0.000 0.261 190 N C -0.834 174.578 175.510 -0.163 0.000 0.979 190 N CA -0.208 52.826 53.050 -0.026 0.000 0.930 190 N CB 2.603 41.076 38.487 -0.022 0.000 1.172 190 N HN -0.201 nan 8.380 nan 0.000 0.499 191 V N 5.056 124.792 119.914 -0.297 0.000 2.450 191 V HA 0.106 4.226 4.120 -0.000 0.000 0.281 191 V C -1.381 174.379 176.094 -0.555 0.000 1.019 191 V CA -0.789 61.194 62.300 -0.529 0.000 1.062 191 V CB 0.200 31.694 31.823 -0.547 0.000 0.979 191 V HN 0.516 nan 8.190 nan 0.000 0.477 192 P HA 0.270 nan 4.420 nan 0.000 0.274 192 P C -2.325 174.753 177.300 -0.370 0.000 1.246 192 P CA -1.800 60.931 63.100 -0.616 0.000 0.795 192 P CB 0.609 31.806 31.700 -0.838 0.000 1.006 193 P HA -0.183 nan 4.420 nan 0.000 0.216 193 P C 1.504 178.733 177.300 -0.118 0.000 1.150 193 P CA 2.183 65.201 63.100 -0.137 0.000 0.843 193 P CB -0.483 31.158 31.700 -0.098 0.000 0.787 194 A N -0.191 122.547 122.820 -0.137 0.000 2.019 194 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 194 A C 1.991 179.535 177.584 -0.066 0.000 1.164 194 A CA 1.457 53.446 52.037 -0.081 0.000 0.644 194 A CB -0.775 18.187 19.000 -0.063 0.000 0.805 194 A HN 0.142 nan 8.150 nan 0.000 0.449 195 E N -0.530 119.591 120.200 -0.132 0.000 2.472 195 E HA -0.013 4.337 4.350 -0.000 0.000 0.196 195 E C 1.332 177.901 176.600 -0.051 0.000 1.033 195 E CA 0.085 56.435 56.400 -0.083 0.000 0.886 195 E CB -0.027 29.582 29.700 -0.152 0.000 0.944 195 E HN 0.737 nan 8.360 nan 0.000 0.492 196 E N 1.436 121.606 120.200 -0.050 0.000 2.130 196 E HA -0.234 4.116 4.350 -0.000 0.000 0.196 196 E C 2.005 178.630 176.600 0.041 0.000 0.998 196 E CA 1.443 57.854 56.400 0.018 0.000 0.806 196 E CB -0.140 29.564 29.700 0.006 0.000 0.738 196 E HN 0.234 nan 8.360 nan 0.000 0.459 197 K N 0.433 120.850 120.400 0.029 0.000 2.283 197 K HA -0.110 4.210 4.320 -0.000 0.000 0.202 197 K C 1.024 177.654 176.600 0.049 0.000 1.048 197 K CA 1.692 58.004 56.287 0.041 0.000 0.948 197 K CB -0.069 32.450 32.500 0.033 0.000 0.742 197 K HN 0.063 nan 8.250 nan 0.000 0.458 198 N N -0.601 118.128 118.700 0.048 0.000 2.254 198 N HA -0.038 4.702 4.740 -0.000 0.000 0.190 198 N C -0.692 174.865 175.510 0.079 0.000 1.107 198 N CA -0.395 52.685 53.050 0.049 0.000 0.869 198 N CB 0.220 38.724 38.487 0.030 0.000 0.983 198 N HN 0.086 nan 8.380 nan 0.000 0.487 199 Y N 3.232 123.469 120.300 -0.105 0.000 2.637 199 Y HA 0.351 4.901 4.550 0.000 0.000 0.350 199 Y C 0.261 176.070 175.900 -0.152 0.000 1.069 199 Y CA -1.760 56.240 58.100 -0.166 0.000 1.397 199 Y CB -0.931 37.375 38.460 -0.257 0.000 1.163 199 Y HN -0.013 nan 8.280 nan 0.000 0.527 200 A N 6.240 129.154 122.820 0.158 0.000 2.466 200 A HA 0.133 4.453 4.320 -0.000 0.000 0.238 200 A C -0.563 177.047 177.584 0.044 0.000 1.074 200 A CA -0.261 51.806 52.037 0.050 0.000 0.774 200 A CB 0.147 19.087 19.000 -0.100 0.000 1.015 200 A HN 0.876 nan 8.150 nan 0.000 0.498 201 W N 0.245 121.553 121.300 0.014 0.000 2.381 201 W HA 0.504 5.164 4.660 0.000 0.000 0.329 201 W C 0.806 177.023 176.519 -0.504 0.000 1.157 201 W CA 0.389 57.546 57.345 -0.312 0.000 1.240 201 W CB 1.387 30.515 29.460 -0.553 0.000 1.199 201 W HN 0.931 nan 8.180 nan 0.000 0.579 202 G N 1.250 109.818 108.800 -0.386 0.000 2.451 202 G HA2 0.534 4.494 3.960 -0.000 0.000 0.303 202 G HA3 0.534 4.494 3.960 -0.000 0.000 0.303 202 G C -2.176 172.298 174.900 -0.710 0.000 1.166 202 G CA -0.469 44.085 45.100 -0.909 0.000 0.884 202 G HN 0.406 nan 8.290 nan 0.000 0.514 203 Y N -0.229 119.965 120.300 -0.178 0.000 2.350 203 Y HA 0.567 5.117 4.550 -0.000 0.000 0.338 203 Y C 0.458 176.342 175.900 -0.027 0.000 0.961 203 Y CA -0.798 57.263 58.100 -0.064 0.000 1.100 203 Y CB 2.342 40.773 38.460 -0.047 0.000 1.179 203 Y HN 0.497 nan 8.280 nan 0.000 0.454 204 R N 2.164 122.716 120.500 0.087 0.000 2.502 204 R HA 0.529 4.869 4.340 -0.000 0.000 0.300 204 R C -0.001 176.339 176.300 0.068 0.000 0.984 204 R CA 0.521 56.665 56.100 0.074 0.000 0.882 204 R CB 1.138 31.468 30.300 0.050 0.000 1.180 204 R HN 0.905 nan 8.270 nan 0.000 0.444 205 E N 1.975 122.215 120.200 0.066 0.000 2.476 205 E HA -0.216 4.134 4.350 -0.000 0.000 0.251 205 E C 0.746 177.377 176.600 0.051 0.000 1.130 205 E CA 1.551 57.979 56.400 0.047 0.000 0.736 205 E CB -2.459 27.260 29.700 0.031 0.000 1.298 205 E HN 1.593 nan 8.360 nan 0.000 0.400 206 G N -1.731 107.120 108.800 0.084 0.000 2.184 206 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.264 206 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.264 206 G C 0.430 175.417 174.900 0.146 0.000 0.975 206 G CA 1.002 46.157 45.100 0.093 0.000 0.642 206 G HN 1.115 nan 8.290 nan 0.000 0.536 207 K N 0.605 121.069 120.400 0.106 0.000 2.138 207 K HA 0.685 5.005 4.320 -0.000 0.000 0.263 207 K C 0.462 177.007 176.600 -0.092 0.000 0.965 207 K CA -0.083 56.215 56.287 0.018 0.000 0.868 207 K CB 1.771 34.251 32.500 -0.034 0.000 1.083 207 K HN 0.438 nan 8.250 nan 0.000 0.443 208 A N 2.394 125.040 122.820 -0.290 0.000 2.451 208 A HA 0.359 4.679 4.320 -0.000 0.000 0.266 208 A C -0.012 177.351 177.584 -0.368 0.000 1.119 208 A CA -0.340 51.297 52.037 -0.667 0.000 0.786 208 A CB -0.272 18.104 19.000 -1.039 0.000 1.061 208 A HN 0.527 nan 8.150 nan 0.000 0.503 209 V N 0.968 120.801 119.914 -0.135 0.000 3.049 209 V HA 0.685 4.805 4.120 -0.000 0.000 0.309 209 V C -0.684 175.556 176.094 0.243 0.000 1.148 209 V CA -0.839 61.517 62.300 0.093 0.000 0.990 209 V CB 1.327 33.185 31.823 0.058 0.000 1.039 209 V HN 0.955 nan 8.190 nan 0.000 0.430 210 H N 0.335 119.542 119.070 0.228 0.000 2.679 210 H HA 0.687 5.243 4.556 -0.000 0.000 0.367 210 H C -0.575 174.854 175.328 0.167 0.000 1.162 210 H CA -0.949 55.171 56.048 0.120 0.000 1.181 210 H CB 2.333 32.023 29.762 -0.120 0.000 1.693 210 H HN 0.805 nan 8.280 nan 0.000 0.538 211 V N 2.825 122.929 119.914 0.316 0.000 2.673 211 V HA 0.018 4.137 4.120 -0.000 0.000 0.303 211 V C -0.038 176.178 176.094 0.203 0.000 1.046 211 V CA 0.080 62.527 62.300 0.245 0.000 1.126 211 V CB 0.671 32.643 31.823 0.249 0.000 0.934 211 V HN 0.846 nan 8.190 nan 0.000 0.487 212 S N 6.914 122.720 115.700 0.177 0.000 2.586 212 S HA 0.607 5.077 4.470 -0.000 0.000 0.274 212 S C -2.412 172.279 174.600 0.153 0.000 1.281 212 S CA -1.172 57.114 58.200 0.143 0.000 1.035 212 S CB 0.908 64.174 63.200 0.110 0.000 0.962 212 S HN 0.775 nan 8.310 nan 0.000 0.512 213 P HA 0.500 nan 4.420 nan 0.000 0.268 213 P C 0.100 177.457 177.300 0.095 0.000 1.208 213 P CA 0.001 63.150 63.100 0.083 0.000 0.777 213 P CB 0.280 32.009 31.700 0.049 0.000 0.875 214 G N -0.442 108.403 108.800 0.075 0.000 2.632 214 G HA2 0.537 4.497 3.960 -0.000 0.000 0.292 214 G HA3 0.537 4.497 3.960 -0.000 0.000 0.292 214 G C -1.512 173.396 174.900 0.014 0.000 1.465 214 G CA -0.398 44.752 45.100 0.084 0.000 0.824 214 G HN 0.524 nan 8.290 nan 0.000 0.509 215 A N 0.504 123.324 122.820 0.000 0.000 2.488 215 A HA 0.574 4.894 4.320 -0.000 0.000 0.249 215 A C 1.395 178.948 177.584 -0.052 0.000 1.083 215 A CA 0.444 52.463 52.037 -0.030 0.000 0.768 215 A CB -0.370 18.612 19.000 -0.029 0.000 1.017 215 A HN 1.784 nan 8.150 nan 0.000 0.496 216 L N 0.592 121.748 121.223 -0.111 0.000 4.001 216 L HA -0.315 4.025 4.340 -0.000 0.000 0.413 216 L C 1.071 177.749 176.870 -0.319 0.000 1.185 216 L CA 0.646 55.370 54.840 -0.193 0.000 0.963 216 L CB -1.777 40.227 42.059 -0.092 0.000 1.976 216 L HN 0.995 nan 8.230 nan 0.000 0.939 217 D N 0.069 120.239 120.400 -0.384 0.000 2.117 217 D HA -0.115 4.524 4.640 -0.000 0.000 0.198 217 D C 1.976 177.848 176.300 -0.715 0.000 0.982 217 D CA 1.341 54.830 54.000 -0.852 0.000 0.828 217 D CB -0.091 40.354 40.800 -0.593 0.000 0.967 217 D HN 0.438 nan 8.370 nan 0.000 0.464 218 A N 0.836 123.418 122.820 -0.397 0.000 1.908 218 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 218 A C 2.100 179.521 177.584 -0.271 0.000 1.181 218 A CA 1.938 53.839 52.037 -0.226 0.000 0.627 218 A CB -0.711 18.250 19.000 -0.065 0.000 0.818 218 A HN 0.204 nan 8.150 nan 0.000 0.445 219 E N -0.487 119.354 120.200 -0.598 0.000 2.208 219 E HA 0.119 4.469 4.350 -0.000 0.000 0.193 219 E C 1.857 178.323 176.600 -0.224 0.000 0.988 219 E CA 1.197 57.195 56.400 -0.671 0.000 0.828 219 E CB -0.190 29.002 29.700 -0.846 0.000 0.763 219 E HN 0.611 nan 8.360 nan 0.000 0.478 220 A N -0.606 122.087 122.820 -0.212 0.000 2.127 220 A HA 0.139 4.459 4.320 -0.000 0.000 0.204 220 A C 0.722 178.404 177.584 0.164 0.000 1.243 220 A CA 0.414 52.456 52.037 0.008 0.000 0.887 220 A CB 0.094 19.162 19.000 0.112 0.000 0.933 220 A HN 0.385 nan 8.150 nan 0.000 0.479 221 Y N -4.382 115.948 120.300 0.049 0.000 3.075 221 Y HA 0.439 4.989 4.550 -0.000 0.000 0.270 221 Y C 0.791 176.719 175.900 0.048 0.000 1.071 221 Y CA -0.436 57.707 58.100 0.070 0.000 1.269 221 Y CB -0.422 38.085 38.460 0.079 0.000 1.291 221 Y HN -0.008 nan 8.280 nan 0.000 0.613 222 G N 0.876 109.599 108.800 -0.129 0.000 3.284 222 G HA2 0.379 4.338 3.960 -0.000 0.000 0.236 222 G HA3 0.379 4.338 3.960 -0.000 0.000 0.236 222 G C -0.285 174.591 174.900 -0.039 0.000 1.158 222 G CA 0.063 45.114 45.100 -0.082 0.000 0.774 222 G HN 0.118 nan 8.290 nan 0.000 0.545 223 V N 0.543 120.439 119.914 -0.030 0.000 2.546 223 V HA 0.408 4.528 4.120 -0.000 0.000 0.284 223 V C -0.254 175.744 176.094 -0.160 0.000 1.050 223 V CA -0.414 61.814 62.300 -0.121 0.000 0.981 223 V CB 1.478 33.156 31.823 -0.242 0.000 0.990 223 V HN 0.155 nan 8.190 nan 0.000 0.474 224 K N 2.488 122.748 120.400 -0.233 0.000 2.259 224 K HA 0.801 5.121 4.320 -0.000 0.000 0.252 224 K C -0.519 175.930 176.600 -0.252 0.000 0.936 224 K CA -0.206 55.925 56.287 -0.261 0.000 0.810 224 K CB 2.016 34.254 32.500 -0.436 0.000 1.143 224 K HN 0.705 nan 8.250 nan 0.000 0.427 225 S N 0.095 115.712 115.700 -0.138 0.000 2.643 225 S HA 0.613 5.083 4.470 -0.000 0.000 0.270 225 S C -1.230 173.413 174.600 0.073 0.000 1.166 225 S CA -0.708 57.425 58.200 -0.112 0.000 0.815 225 S CB 0.943 64.037 63.200 -0.178 0.000 1.139 225 S HN 0.683 nan 8.310 nan 0.000 0.472 226 T N 0.127 114.727 114.554 0.076 0.000 2.944 226 T HA 0.533 4.883 4.350 -0.000 0.000 0.284 226 T C 1.229 176.009 174.700 0.132 0.000 1.010 226 T CA -0.538 61.650 62.100 0.147 0.000 1.025 226 T CB 0.856 69.758 68.868 0.057 0.000 1.079 226 T HN 0.446 nan 8.240 nan 0.000 0.516 227 I N 0.767 121.417 120.570 0.134 0.000 2.394 227 I HA -0.050 4.120 4.170 -0.000 0.000 0.251 227 I C 2.305 178.504 176.117 0.138 0.000 1.136 227 I CA 1.439 62.820 61.300 0.135 0.000 1.425 227 I CB -0.594 37.499 38.000 0.156 0.000 1.079 227 I HN 0.807 nan 8.210 nan 0.000 0.425 228 E N -0.045 120.134 120.200 -0.035 0.000 2.047 228 E HA -0.211 4.139 4.350 -0.000 0.000 0.191 228 E C 1.701 178.366 176.600 0.108 0.000 0.987 228 E CA 1.427 57.798 56.400 -0.047 0.000 0.799 228 E CB -0.212 29.374 29.700 -0.189 0.000 0.752 228 E HN 0.474 nan 8.360 nan 0.000 0.449 229 D N 0.298 120.746 120.400 0.080 0.000 2.144 229 D HA -0.120 4.520 4.640 -0.000 0.000 0.199 229 D C 1.839 178.253 176.300 0.189 0.000 0.984 229 D CA 0.929 54.985 54.000 0.093 0.000 0.834 229 D CB -0.028 40.769 40.800 -0.005 0.000 0.955 229 D HN 0.065 nan 8.370 nan 0.000 0.465 230 M N 0.261 119.987 119.600 0.210 0.000 2.229 230 M HA 0.013 4.493 4.480 -0.000 0.000 0.264 230 M C 2.193 178.676 176.300 0.305 0.000 1.063 230 M CA 0.617 56.105 55.300 0.313 0.000 1.114 230 M CB -1.014 31.750 32.600 0.273 0.000 1.387 230 M HN -0.021 nan 8.290 nan 0.000 0.420 231 A N -0.125 122.852 122.820 0.262 0.000 1.902 231 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 231 A C 2.388 180.054 177.584 0.137 0.000 1.181 231 A CA 1.820 53.982 52.037 0.208 0.000 0.623 231 A CB -0.660 18.521 19.000 0.303 0.000 0.818 231 A HN 0.437 nan 8.150 nan 0.000 0.443 232 R N -1.381 119.221 120.500 0.170 0.000 2.081 232 R HA -0.165 4.175 4.340 -0.000 0.000 0.235 232 R C 2.157 178.556 176.300 0.166 0.000 1.131 232 R CA 1.527 57.704 56.100 0.129 0.000 0.960 232 R CB -0.387 29.995 30.300 0.136 0.000 0.856 232 R HN 0.833 nan 8.270 nan 0.000 0.436 233 W N 0.399 121.723 121.300 0.041 0.000 2.338 233 W HA -0.231 4.429 4.660 0.000 0.000 0.304 233 W C 1.389 177.858 176.519 -0.083 0.000 1.212 233 W CA 1.275 58.639 57.345 0.032 0.000 1.264 233 W CB -0.046 29.484 29.460 0.117 0.000 1.142 233 W HN -0.013 nan 8.180 nan 0.000 0.512 234 V N 1.190 121.032 119.914 -0.119 0.000 2.358 234 V HA -0.329 3.791 4.120 -0.000 0.000 0.246 234 V C 2.393 178.142 176.094 -0.576 0.000 1.047 234 V CA 2.216 64.235 62.300 -0.469 0.000 1.035 234 V CB -0.972 30.709 31.823 -0.237 0.000 0.658 234 V HN 0.229 nan 8.190 nan 0.000 0.452 235 Q N -0.223 119.393 119.800 -0.306 0.000 2.135 235 Q HA -0.190 4.149 4.340 -0.000 0.000 0.204 235 Q C 2.460 178.271 176.000 -0.316 0.000 0.981 235 Q CA 1.989 57.627 55.803 -0.275 0.000 0.856 235 Q CB -0.263 28.389 28.738 -0.143 0.000 0.902 235 Q HN 0.608 nan 8.270 nan 0.000 0.425 236 S N 0.801 116.325 115.700 -0.294 0.000 2.383 236 S HA -0.070 4.400 4.470 -0.000 0.000 0.227 236 S C 1.533 175.877 174.600 -0.427 0.000 1.026 236 S CA 0.858 58.897 58.200 -0.270 0.000 0.981 236 S CB -0.147 62.967 63.200 -0.142 0.000 0.818 236 S HN 0.381 nan 8.310 nan 0.000 0.472 237 N N 1.197 119.466 118.700 -0.719 0.000 2.354 237 N HA 0.123 4.862 4.740 -0.000 0.000 0.179 237 N C 1.615 176.627 175.510 -0.829 0.000 1.021 237 N CA 0.513 53.053 53.050 -0.849 0.000 0.887 237 N CB -0.153 37.587 38.487 -1.245 0.000 0.974 237 N HN 0.327 nan 8.380 nan 0.000 0.437 238 L N 0.578 121.266 121.223 -0.891 0.000 2.093 238 L HA -0.047 4.293 4.340 -0.000 0.000 0.208 238 L C 0.658 177.342 176.870 -0.310 0.000 1.085 238 L CA 1.170 55.665 54.840 -0.575 0.000 0.755 238 L CB 0.086 41.859 42.059 -0.477 0.000 0.904 238 L HN -0.052 nan 8.230 nan 0.000 0.435 239 K N -0.540 119.690 120.400 -0.283 0.000 2.954 239 K HA 0.193 4.513 4.320 -0.000 0.000 0.171 239 K C -1.876 174.629 176.600 -0.158 0.000 1.079 239 K CA -1.196 54.981 56.287 -0.184 0.000 0.908 239 K CB 1.286 33.694 32.500 -0.153 0.000 1.142 239 K HN -0.099 nan 8.250 nan 0.000 0.613 240 P HA -0.181 nan 4.420 nan 0.000 0.221 240 P C 1.078 178.333 177.300 -0.076 0.000 1.145 240 P CA 1.002 64.034 63.100 -0.113 0.000 0.795 240 P CB 0.253 31.894 31.700 -0.098 0.000 0.775 241 L N 0.407 121.586 121.223 -0.073 0.000 2.362 241 L HA -0.134 4.205 4.340 -0.000 0.000 0.219 241 L C 2.011 178.850 176.870 -0.052 0.000 1.134 241 L CA 1.606 56.413 54.840 -0.055 0.000 0.807 241 L CB -1.075 40.952 42.059 -0.054 0.000 0.927 241 L HN 0.103 nan 8.230 nan 0.000 0.447 242 D N 0.115 120.477 120.400 -0.064 0.000 2.363 242 D HA -0.065 4.575 4.640 -0.000 0.000 0.220 242 D C 0.759 177.034 176.300 -0.042 0.000 0.994 242 D CA 0.361 54.328 54.000 -0.056 0.000 0.890 242 D CB -0.114 40.644 40.800 -0.069 0.000 0.906 242 D HN 0.227 nan 8.370 nan 0.000 0.530 243 I N 1.258 121.805 120.570 -0.038 0.000 2.352 243 I HA 0.083 4.253 4.170 -0.000 0.000 0.290 243 I C 1.247 177.355 176.117 -0.015 0.000 1.036 243 I CA -0.584 60.703 61.300 -0.022 0.000 1.336 243 I CB 1.164 39.154 38.000 -0.016 0.000 1.407 243 I HN -0.121 nan 8.210 nan 0.000 0.497 244 N N 4.686 123.380 118.700 -0.010 0.000 2.043 244 N HA -0.182 4.558 4.740 -0.000 0.000 0.193 244 N C 0.262 175.768 175.510 -0.006 0.000 1.037 244 N CA 1.460 54.504 53.050 -0.009 0.000 0.851 244 N CB 0.079 38.562 38.487 -0.008 0.000 1.027 244 N HN 0.483 nan 8.380 nan 0.000 0.422 245 E N 0.944 121.143 120.200 -0.002 0.000 2.383 245 E HA -0.017 4.333 4.350 -0.000 0.000 0.257 245 E C 0.959 177.559 176.600 0.001 0.000 1.079 245 E CA 0.182 56.582 56.400 -0.000 0.000 0.934 245 E CB 0.521 30.224 29.700 0.004 0.000 0.978 245 E HN 0.359 nan 8.360 nan 0.000 0.462 246 K N 1.471 121.870 120.400 -0.002 0.000 2.015 246 K HA -0.251 4.069 4.320 -0.000 0.000 0.216 246 K C 1.930 178.533 176.600 0.004 0.000 1.052 246 K CA 2.098 58.385 56.287 -0.001 0.000 0.937 246 K CB -0.587 31.911 32.500 -0.002 0.000 0.719 246 K HN 0.611 nan 8.250 nan 0.000 0.446 247 T N 0.080 114.637 114.554 0.006 0.000 2.867 247 T HA -0.075 4.275 4.350 -0.000 0.000 0.268 247 T C 1.856 176.569 174.700 0.022 0.000 1.057 247 T CA 0.820 62.927 62.100 0.012 0.000 1.136 247 T CB -0.192 68.680 68.868 0.006 0.000 0.874 247 T HN 0.063 nan 8.240 nan 0.000 0.466 248 L N 1.219 122.456 121.223 0.024 0.000 2.044 248 L HA 0.109 4.449 4.340 -0.000 0.000 0.205 248 L C 2.812 179.705 176.870 0.040 0.000 1.075 248 L CA 1.787 56.653 54.840 0.044 0.000 0.747 248 L CB -1.178 40.911 42.059 0.049 0.000 0.903 248 L HN 0.378 nan 8.230 nan 0.000 0.435 249 Q N -0.835 118.977 119.800 0.019 0.000 2.077 249 Q HA -0.324 4.016 4.340 -0.000 0.000 0.206 249 Q C 2.331 178.336 176.000 0.008 0.000 0.989 249 Q CA 2.468 58.273 55.803 0.002 0.000 0.853 249 Q CB -0.240 28.493 28.738 -0.008 0.000 0.907 249 Q HN 0.689 nan 8.270 nan 0.000 0.418 250 Q N -0.967 118.843 119.800 0.017 0.000 2.084 250 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 250 Q C 1.977 178.006 176.000 0.048 0.000 0.978 250 Q CA 1.469 57.286 55.803 0.024 0.000 0.844 250 Q CB -0.350 28.402 28.738 0.023 0.000 0.898 250 Q HN 0.570 nan 8.270 nan 0.000 0.426 251 G N 0.710 109.547 108.800 0.062 0.000 2.442 251 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.219 251 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.219 251 G C 1.350 176.322 174.900 0.121 0.000 1.141 251 G CA 0.820 45.977 45.100 0.096 0.000 0.763 251 G HN 0.345 nan 8.290 nan 0.000 0.554 252 I N 0.069 120.693 120.570 0.089 0.000 2.252 252 I HA -0.178 3.992 4.170 -0.000 0.000 0.245 252 I C 3.029 179.182 176.117 0.060 0.000 1.102 252 I CA 1.056 62.398 61.300 0.071 0.000 1.385 252 I CB -0.179 37.807 38.000 -0.024 0.000 1.064 252 I HN 0.221 nan 8.210 nan 0.000 0.414 253 Q N 0.344 120.164 119.800 0.033 0.000 2.084 253 Q HA -0.171 4.169 4.340 -0.000 0.000 0.202 253 Q C 2.358 178.393 176.000 0.059 0.000 0.978 253 Q CA 1.342 57.158 55.803 0.021 0.000 0.844 253 Q CB -0.103 28.635 28.738 -0.000 0.000 0.898 253 Q HN 0.523 nan 8.270 nan 0.000 0.426 254 L N -0.040 121.243 121.223 0.100 0.000 2.141 254 L HA -0.120 4.220 4.340 -0.000 0.000 0.209 254 L C 2.411 179.437 176.870 0.260 0.000 1.094 254 L CA 0.748 55.682 54.840 0.158 0.000 0.763 254 L CB -0.492 41.669 42.059 0.170 0.000 0.908 254 L HN 0.195 nan 8.230 nan 0.000 0.437 255 A N -0.715 122.258 122.820 0.255 0.000 2.067 255 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 255 A C 2.064 179.875 177.584 0.379 0.000 1.158 255 A CA 1.196 53.440 52.037 0.345 0.000 0.661 255 A CB -0.264 18.972 19.000 0.393 0.000 0.801 255 A HN 0.480 nan 8.150 nan 0.000 0.452 256 Q N 0.073 120.011 119.800 0.230 0.000 2.280 256 Q HA 0.182 4.522 4.340 -0.000 0.000 0.201 256 Q C -0.154 175.869 176.000 0.038 0.000 0.890 256 Q CA -0.330 55.551 55.803 0.130 0.000 0.947 256 Q CB 0.365 29.105 28.738 0.004 0.000 1.081 256 Q HN 0.511 nan 8.270 nan 0.000 0.502 257 S N 0.939 116.641 115.700 0.003 0.000 2.585 257 S HA 0.213 4.683 4.470 -0.000 0.000 0.273 257 S C 0.042 174.442 174.600 -0.333 0.000 1.339 257 S CA -0.192 57.856 58.200 -0.253 0.000 1.028 257 S CB 0.586 63.499 63.200 -0.478 0.000 0.906 257 S HN 0.243 nan 8.310 nan 0.000 0.528 258 R N 1.641 121.924 120.500 -0.362 0.000 2.204 258 R HA 0.225 4.565 4.340 -0.000 0.000 0.341 258 R C -0.330 175.787 176.300 -0.306 0.000 1.035 258 R CA -0.138 55.844 56.100 -0.196 0.000 0.887 258 R CB 0.291 30.457 30.300 -0.224 0.000 1.114 258 R HN 0.687 nan 8.270 nan 0.000 0.473 259 Y N 0.720 121.014 120.300 -0.009 0.000 2.436 259 Y HA 0.096 4.646 4.550 0.000 0.000 0.288 259 Y C 0.206 175.778 175.900 -0.546 0.000 1.112 259 Y CA 0.510 58.450 58.100 -0.267 0.000 1.220 259 Y CB 0.461 38.783 38.460 -0.230 0.000 1.073 259 Y HN 0.466 nan 8.280 nan 0.000 0.552 260 W N -0.425 121.040 121.300 0.274 0.000 3.107 260 W HA 0.554 5.214 4.660 0.000 0.000 0.331 260 W C -0.913 175.720 176.519 0.189 0.000 1.204 260 W CA -1.019 56.446 57.345 0.199 0.000 1.184 260 W CB 1.153 30.711 29.460 0.163 0.000 1.421 260 W HN -0.455 nan 8.180 nan 0.000 0.544 261 Q N 1.240 121.240 119.800 0.334 0.000 2.356 261 Q HA 0.643 4.983 4.340 -0.000 0.000 0.270 261 Q C -1.242 174.778 176.000 0.033 0.000 1.058 261 Q CA -0.485 55.343 55.803 0.042 0.000 0.802 261 Q CB 2.386 31.089 28.738 -0.058 0.000 1.303 261 Q HN 0.425 nan 8.270 nan 0.000 0.444 262 T N 2.761 117.280 114.554 -0.058 0.000 2.985 262 T HA 0.607 4.957 4.350 -0.000 0.000 0.315 262 T C 0.341 174.982 174.700 -0.098 0.000 1.001 262 T CA 0.717 62.792 62.100 -0.042 0.000 1.016 262 T CB 0.439 69.305 68.868 -0.004 0.000 0.993 262 T HN 1.077 nan 8.240 nan 0.000 0.454 263 G N 5.529 114.268 108.800 -0.101 0.000 2.561 263 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.289 263 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.289 263 G C 0.292 175.090 174.900 -0.170 0.000 1.169 263 G CA 0.708 45.743 45.100 -0.107 0.000 0.980 263 G HN 0.964 nan 8.290 nan 0.000 0.550 264 D N 0.299 120.610 120.400 -0.148 0.000 2.342 264 D HA 0.311 4.951 4.640 -0.000 0.000 0.221 264 D C 1.110 177.296 176.300 -0.189 0.000 1.101 264 D CA 0.383 54.286 54.000 -0.161 0.000 0.837 264 D CB 0.056 40.806 40.800 -0.085 0.000 0.938 264 D HN 0.625 nan 8.370 nan 0.000 0.508 265 M N 0.713 120.186 119.600 -0.210 0.000 2.363 265 M HA 0.430 4.910 4.480 -0.000 0.000 0.343 265 M C -1.656 174.516 176.300 -0.214 0.000 1.165 265 M CA -0.657 54.597 55.300 -0.077 0.000 1.046 265 M CB 1.514 34.150 32.600 0.059 0.000 1.648 265 M HN -0.180 nan 8.290 nan 0.000 0.452 266 Y N 1.790 122.196 120.300 0.177 0.000 2.409 266 Y HA 0.392 4.942 4.550 0.000 0.000 0.343 266 Y C -0.459 175.598 175.900 0.261 0.000 0.973 266 Y CA -0.735 57.482 58.100 0.195 0.000 1.064 266 Y CB 1.711 40.252 38.460 0.135 0.000 1.207 266 Y HN 0.562 nan 8.280 nan 0.000 0.452 267 Q N 1.825 121.904 119.800 0.465 0.000 2.303 267 Q HA 0.586 4.926 4.340 -0.000 0.000 0.257 267 Q C -0.088 176.200 176.000 0.481 0.000 0.941 267 Q CA -0.221 55.853 55.803 0.453 0.000 0.931 267 Q CB 1.236 30.252 28.738 0.463 0.000 1.215 267 Q HN 0.893 nan 8.270 nan 0.000 0.437 268 G N 2.815 111.875 108.800 0.433 0.000 2.782 268 G HA2 0.511 4.471 3.960 -0.000 0.000 0.201 268 G HA3 0.511 4.471 3.960 -0.000 0.000 0.201 268 G C -0.978 174.109 174.900 0.312 0.000 1.374 268 G CA -0.826 44.560 45.100 0.477 0.000 1.039 268 G HN 0.586 nan 8.290 nan 0.000 0.576 269 L N 1.077 122.457 121.223 0.262 0.000 2.264 269 L HA 0.471 4.811 4.340 -0.000 0.000 0.287 269 L C 1.324 178.253 176.870 0.099 0.000 1.039 269 L CA 0.383 55.244 54.840 0.035 0.000 0.829 269 L CB 0.615 42.683 42.059 0.016 0.000 1.211 269 L HN 1.046 nan 8.230 nan 0.000 0.427 270 G N 2.277 111.101 108.800 0.041 0.000 4.655 270 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.220 270 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.220 270 G C -0.000 174.936 174.900 0.060 0.000 1.403 270 G CA -0.159 44.956 45.100 0.025 0.000 0.931 270 G HN 0.514 nan 8.290 nan 0.000 0.654 271 W N 2.300 123.735 121.300 0.225 0.000 2.148 271 W HA 0.570 5.230 4.660 -0.000 0.000 0.347 271 W C 0.907 177.576 176.519 0.249 0.000 1.288 271 W CA -0.038 57.434 57.345 0.212 0.000 1.252 271 W CB 0.364 29.917 29.460 0.156 0.000 1.156 271 W HN 0.375 nan 8.180 nan 0.000 0.580 272 E N 1.116 121.662 120.200 0.576 0.000 2.277 272 E HA 0.614 4.964 4.350 -0.000 0.000 0.266 272 E C -0.852 176.050 176.600 0.503 0.000 0.901 272 E CA -1.113 55.595 56.400 0.513 0.000 0.782 272 E CB 1.775 31.773 29.700 0.497 0.000 1.228 272 E HN 0.183 nan 8.360 nan 0.000 0.424 273 M N 1.645 121.491 119.600 0.411 0.000 2.575 273 M HA 0.493 4.973 4.480 -0.000 0.000 0.284 273 M C -1.648 174.867 176.300 0.358 0.000 1.253 273 M CA -0.354 55.128 55.300 0.303 0.000 0.861 273 M CB 1.841 34.556 32.600 0.192 0.000 1.733 273 M HN 0.299 nan 8.290 nan 0.000 0.462 274 L N 0.220 121.620 121.223 0.294 0.000 2.424 274 L HA 0.554 4.894 4.340 -0.000 0.000 0.258 274 L C -0.872 176.160 176.870 0.269 0.000 0.995 274 L CA -0.673 54.341 54.840 0.290 0.000 0.821 274 L CB 2.074 44.212 42.059 0.133 0.000 1.383 274 L HN 0.563 nan 8.230 nan 0.000 0.410 275 D N 0.615 121.162 120.400 0.246 0.000 2.372 275 D HA 0.027 4.667 4.640 -0.000 0.000 0.243 275 D C -1.058 175.366 176.300 0.207 0.000 1.121 275 D CA 0.124 54.237 54.000 0.188 0.000 0.898 275 D CB 1.316 42.196 40.800 0.133 0.000 1.202 275 D HN 0.335 nan 8.370 nan 0.000 0.428 276 W N 4.117 125.475 121.300 0.096 0.000 2.520 276 W HA 0.281 4.941 4.660 -0.000 0.000 0.323 276 W C -2.242 174.331 176.519 0.090 0.000 1.062 276 W CA -1.827 55.594 57.345 0.127 0.000 1.215 276 W CB 1.149 30.703 29.460 0.156 0.000 1.340 276 W HN 0.232 nan 8.180 nan 0.000 0.516 277 P HA 0.105 nan 4.420 nan 0.000 0.268 277 P C -0.509 176.376 177.300 -0.692 0.000 1.205 277 P CA 0.152 62.400 63.100 -1.419 0.000 0.771 277 P CB 1.529 32.736 31.700 -0.823 0.000 0.858 278 V N -0.311 119.189 119.914 -0.690 0.000 2.732 278 V HA 0.511 4.631 4.120 -0.000 0.000 0.310 278 V C 0.003 175.785 176.094 -0.520 0.000 1.053 278 V CA -1.176 60.881 62.300 -0.406 0.000 0.957 278 V CB 1.499 33.130 31.823 -0.320 0.000 1.018 278 V HN 0.598 nan 8.190 nan 0.000 0.452 279 N N 4.799 123.234 118.700 -0.441 0.000 2.411 279 N HA 0.382 5.122 4.740 -0.000 0.000 0.259 279 N C -1.126 173.984 175.510 -0.666 0.000 1.103 279 N CA -2.105 50.667 53.050 -0.463 0.000 0.954 279 N CB 1.284 39.590 38.487 -0.302 0.000 1.085 279 N HN 0.538 nan 8.380 nan 0.000 0.485 280 P HA -0.172 nan 4.420 nan 0.000 0.216 280 P C 0.239 177.150 177.300 -0.649 0.000 1.153 280 P CA 1.344 63.721 63.100 -1.205 0.000 0.858 280 P CB 0.352 31.100 31.700 -1.586 0.000 0.789 281 D N -0.205 119.928 120.400 -0.445 0.000 2.182 281 D HA -0.127 4.513 4.640 -0.000 0.000 0.201 281 D C 2.167 178.322 176.300 -0.243 0.000 0.986 281 D CA 1.300 55.132 54.000 -0.280 0.000 0.847 281 D CB -0.523 40.154 40.800 -0.205 0.000 0.942 281 D HN 0.226 nan 8.370 nan 0.000 0.467 282 S N 0.915 116.452 115.700 -0.272 0.000 2.368 282 S HA -0.130 4.340 4.470 -0.000 0.000 0.225 282 S C 2.212 176.704 174.600 -0.181 0.000 1.030 282 S CA 1.039 59.114 58.200 -0.208 0.000 0.999 282 S CB -0.257 62.815 63.200 -0.213 0.000 0.844 282 S HN 0.415 nan 8.310 nan 0.000 0.459 283 I N -1.530 118.883 120.570 -0.262 0.000 2.584 283 I HA 0.123 4.293 4.170 -0.000 0.000 0.255 283 I C 2.105 178.169 176.117 -0.089 0.000 1.145 283 I CA 0.692 61.902 61.300 -0.149 0.000 1.462 283 I CB -0.479 37.344 38.000 -0.295 0.000 1.102 283 I HN 0.224 nan 8.210 nan 0.000 0.433 284 I N 2.258 122.724 120.570 -0.174 0.000 2.162 284 I HA -0.205 3.965 4.170 -0.000 0.000 0.238 284 I C 2.276 178.337 176.117 -0.093 0.000 1.076 284 I CA 1.421 62.646 61.300 -0.125 0.000 1.353 284 I CB -0.603 37.307 38.000 -0.149 0.000 1.063 284 I HN 0.269 nan 8.210 nan 0.000 0.408 285 N N 1.179 119.818 118.700 -0.102 0.000 2.244 285 N HA -0.100 4.640 4.740 -0.000 0.000 0.183 285 N C 1.857 177.329 175.510 -0.062 0.000 1.016 285 N CA 1.475 54.479 53.050 -0.077 0.000 0.866 285 N CB -0.661 37.778 38.487 -0.080 0.000 0.980 285 N HN 0.422 nan 8.380 nan 0.000 0.430 286 G N 0.579 109.344 108.800 -0.058 0.000 2.471 286 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.219 286 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.219 286 G C 1.589 176.475 174.900 -0.023 0.000 1.125 286 G CA 1.092 46.173 45.100 -0.032 0.000 0.775 286 G HN 0.501 nan 8.290 nan 0.000 0.548 287 S N -0.323 115.361 115.700 -0.027 0.000 2.527 287 S HA 0.024 4.494 4.470 -0.000 0.000 0.222 287 S C 0.768 175.322 174.600 -0.077 0.000 0.985 287 S CA -0.010 58.161 58.200 -0.048 0.000 0.921 287 S CB 0.019 63.184 63.200 -0.059 0.000 0.772 287 S HN 0.267 nan 8.310 nan 0.000 0.529 288 D N 2.247 122.608 120.400 -0.066 0.000 2.458 288 D HA 0.065 4.705 4.640 -0.000 0.000 0.243 288 D C 0.422 176.683 176.300 -0.065 0.000 1.146 288 D CA 0.044 54.007 54.000 -0.062 0.000 0.877 288 D CB 0.484 41.255 40.800 -0.048 0.000 1.176 288 D HN 0.070 nan 8.370 nan 0.000 0.461 289 N N 3.421 122.081 118.700 -0.066 0.000 2.430 289 N HA -0.191 4.549 4.740 -0.000 0.000 0.186 289 N C 1.511 176.994 175.510 -0.046 0.000 1.032 289 N CA 0.531 53.540 53.050 -0.068 0.000 0.893 289 N CB -0.085 38.369 38.487 -0.056 0.000 0.957 289 N HN 0.592 nan 8.380 nan 0.000 0.442 290 K N 0.771 121.150 120.400 -0.035 0.000 2.063 290 K HA -0.055 4.265 4.320 -0.000 0.000 0.208 290 K C 1.747 178.333 176.600 -0.024 0.000 1.048 290 K CA 1.049 57.323 56.287 -0.022 0.000 0.928 290 K CB 0.058 32.545 32.500 -0.022 0.000 0.713 290 K HN 0.121 nan 8.250 nan 0.000 0.442 291 I N -0.090 120.459 120.570 -0.035 0.000 2.729 291 I HA -0.022 4.148 4.170 -0.000 0.000 0.256 291 I C 2.410 178.500 176.117 -0.044 0.000 1.115 291 I CA 0.595 61.874 61.300 -0.035 0.000 1.446 291 I CB -0.258 37.719 38.000 -0.038 0.000 1.176 291 I HN 0.187 nan 8.210 nan 0.000 0.446 292 A N 1.256 124.034 122.820 -0.070 0.000 1.940 292 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 292 A C 2.108 179.615 177.584 -0.128 0.000 1.176 292 A CA 1.477 53.443 52.037 -0.118 0.000 0.631 292 A CB -0.707 18.184 19.000 -0.181 0.000 0.814 292 A HN 0.439 nan 8.150 nan 0.000 0.446 293 L N -0.988 120.186 121.223 -0.080 0.000 2.607 293 L HA 0.263 4.603 4.340 -0.000 0.000 0.228 293 L C 1.119 178.007 176.870 0.030 0.000 1.123 293 L CA -0.105 54.727 54.840 -0.014 0.000 0.890 293 L CB -0.346 41.716 42.059 0.005 0.000 1.103 293 L HN 0.372 nan 8.230 nan 0.000 0.468 294 A N 0.652 123.477 122.820 0.010 0.000 2.302 294 A HA 0.687 5.006 4.320 -0.000 0.000 0.285 294 A C 0.418 178.008 177.584 0.009 0.000 1.105 294 A CA -0.233 51.818 52.037 0.023 0.000 0.816 294 A CB 0.533 19.537 19.000 0.006 0.000 1.067 294 A HN 0.190 nan 8.150 nan 0.000 0.489 295 A N 1.920 124.745 122.820 0.008 0.000 2.425 295 A HA 0.582 4.902 4.320 -0.000 0.000 0.249 295 A C 0.346 177.829 177.584 -0.167 0.000 1.084 295 A CA -0.089 51.880 52.037 -0.114 0.000 0.781 295 A CB 0.145 19.005 19.000 -0.232 0.000 1.019 295 A HN 0.740 nan 8.150 nan 0.000 0.490 296 R N 2.085 122.461 120.500 -0.206 0.000 2.604 296 R HA 0.440 4.780 4.340 -0.000 0.000 0.281 296 R C -3.153 173.019 176.300 -0.213 0.000 1.020 296 R CA -1.934 54.066 56.100 -0.167 0.000 0.899 296 R CB 2.148 32.396 30.300 -0.087 0.000 1.205 296 R HN 0.570 nan 8.270 nan 0.000 0.450 297 P HA 0.080 nan 4.420 nan 0.000 0.271 297 P C -0.158 177.089 177.300 -0.090 0.000 1.216 297 P CA -0.197 62.799 63.100 -0.173 0.000 0.771 297 P CB 0.961 32.584 31.700 -0.129 0.000 0.864 298 V N 0.115 119.988 119.914 -0.068 0.000 2.815 298 V HA 0.655 4.775 4.120 -0.000 0.000 0.314 298 V C -0.269 175.948 176.094 0.204 0.000 1.064 298 V CA -1.158 61.185 62.300 0.071 0.000 0.952 298 V CB 1.821 33.671 31.823 0.046 0.000 1.020 298 V HN 0.171 nan 8.190 nan 0.000 0.439 299 K N 2.639 123.200 120.400 0.269 0.000 2.235 299 K HA 0.805 5.125 4.320 -0.000 0.000 0.266 299 K C 0.063 176.876 176.600 0.356 0.000 0.980 299 K CA 0.006 56.445 56.287 0.252 0.000 0.849 299 K CB 1.527 34.110 32.500 0.138 0.000 1.098 299 K HN 1.156 nan 8.250 nan 0.000 0.445 300 A N 3.712 126.708 122.820 0.293 0.000 2.425 300 A HA 0.375 4.695 4.320 -0.000 0.000 0.249 300 A C -0.208 177.315 177.584 -0.102 0.000 1.084 300 A CA -0.245 51.731 52.037 -0.101 0.000 0.781 300 A CB -0.139 18.758 19.000 -0.171 0.000 1.019 300 A HN 0.758 nan 8.150 nan 0.000 0.490 301 I N 2.561 122.997 120.570 -0.223 0.000 2.337 301 I HA 0.194 4.364 4.170 -0.000 0.000 0.285 301 I C -0.284 175.733 176.117 -0.168 0.000 1.041 301 I CA 0.051 61.279 61.300 -0.121 0.000 1.199 301 I CB 1.133 39.085 38.000 -0.081 0.000 1.370 301 I HN 0.537 nan 8.210 nan 0.000 0.470 302 T N 6.328 120.819 114.554 -0.106 0.000 2.874 302 T HA 0.398 4.748 4.350 -0.000 0.000 0.321 302 T C -1.621 173.042 174.700 -0.061 0.000 1.075 302 T CA -0.974 61.073 62.100 -0.088 0.000 0.966 302 T CB 0.647 69.481 68.868 -0.056 0.000 1.001 302 T HN 0.444 nan 8.240 nan 0.000 0.476 303 P HA 0.489 nan 4.420 nan 0.000 0.278 303 P C -3.039 174.177 177.300 -0.140 0.000 1.266 303 P CA -2.026 61.019 63.100 -0.093 0.000 0.807 303 P CB 0.073 31.732 31.700 -0.068 0.000 1.094 304 P HA 0.071 nan 4.420 nan 0.000 0.265 304 P C -0.312 176.827 177.300 -0.269 0.000 1.193 304 P CA 0.431 63.337 63.100 -0.323 0.000 0.765 304 P CB -0.017 31.349 31.700 -0.556 0.000 0.823 305 T N 5.934 120.332 114.554 -0.261 0.000 2.834 305 T HA 0.216 4.566 4.350 -0.000 0.000 0.298 305 T C -2.071 172.495 174.700 -0.224 0.000 0.966 305 T CA -0.983 60.990 62.100 -0.212 0.000 1.141 305 T CB -0.209 68.528 68.868 -0.218 0.000 0.905 305 T HN 0.275 nan 8.240 nan 0.000 0.535 306 P HA 0.183 nan 4.420 nan 0.000 0.269 306 P C -0.526 176.695 177.300 -0.131 0.000 1.217 306 P CA -0.477 62.542 63.100 -0.135 0.000 0.783 306 P CB 0.307 31.951 31.700 -0.094 0.000 0.898 307 A N 2.088 124.846 122.820 -0.103 0.000 2.573 307 A HA 0.096 4.416 4.320 -0.000 0.000 0.250 307 A C 0.134 177.664 177.584 -0.090 0.000 1.049 307 A CA 0.156 52.138 52.037 -0.092 0.000 0.767 307 A CB -0.795 18.167 19.000 -0.063 0.000 0.965 307 A HN 0.365 nan 8.150 nan 0.000 0.514 308 V N 6.067 125.919 119.914 -0.102 0.000 2.461 308 V HA 0.113 4.233 4.120 -0.000 0.000 0.275 308 V C 1.539 177.599 176.094 -0.056 0.000 1.047 308 V CA -0.520 61.730 62.300 -0.083 0.000 0.955 308 V CB 0.921 32.683 31.823 -0.102 0.000 0.988 308 V HN 1.027 nan 8.190 nan 0.000 0.471 309 R N 3.794 124.270 120.500 -0.041 0.000 2.081 309 R HA -0.052 4.288 4.340 -0.000 0.000 0.235 309 R C 1.312 177.604 176.300 -0.013 0.000 1.131 309 R CA 1.420 57.500 56.100 -0.034 0.000 0.960 309 R CB -0.373 29.908 30.300 -0.031 0.000 0.856 309 R HN 0.738 nan 8.270 nan 0.000 0.436 310 A N 1.975 124.813 122.820 0.029 0.000 3.037 310 A HA 0.295 4.615 4.320 -0.000 0.000 0.272 310 A C -0.454 177.233 177.584 0.172 0.000 1.723 310 A CA 0.045 52.153 52.037 0.118 0.000 1.413 310 A CB -0.043 19.046 19.000 0.149 0.000 1.112 310 A HN 0.091 nan 8.150 nan 0.000 0.606 311 S N 0.512 116.288 115.700 0.127 0.000 2.595 311 S HA 0.552 5.022 4.470 -0.000 0.000 0.281 311 S C -1.105 173.590 174.600 0.159 0.000 1.117 311 S CA -0.601 57.692 58.200 0.154 0.000 0.873 311 S CB 1.250 64.456 63.200 0.010 0.000 1.108 311 S HN 0.695 nan 8.310 nan 0.000 0.477 312 W N 3.540 124.874 121.300 0.058 0.000 2.291 312 W HA 0.594 5.254 4.660 -0.000 0.000 0.312 312 W C -1.874 174.506 176.519 -0.231 0.000 1.061 312 W CA -0.496 56.835 57.345 -0.023 0.000 1.296 312 W CB 0.619 30.172 29.460 0.154 0.000 1.223 312 W HN 0.361 nan 8.180 nan 0.000 0.421 313 V N 7.355 126.859 119.914 -0.684 0.000 2.513 313 V HA 0.483 4.603 4.120 -0.000 0.000 0.299 313 V C -0.118 175.625 176.094 -0.585 0.000 1.035 313 V CA -0.400 61.474 62.300 -0.710 0.000 0.889 313 V CB 1.506 32.402 31.823 -1.546 0.000 0.988 313 V HN 0.684 nan 8.190 nan 0.000 0.440 314 H N 2.177 121.221 119.070 -0.044 0.000 2.932 314 H HA 0.877 5.433 4.556 -0.000 0.000 0.307 314 H C -1.367 174.216 175.328 0.425 0.000 1.391 314 H CA -1.259 54.868 56.048 0.133 0.000 1.130 314 H CB 2.128 32.013 29.762 0.204 0.000 1.836 314 H HN 0.458 nan 8.280 nan 0.000 0.522 315 K N 1.216 121.737 120.400 0.203 0.000 2.570 315 K HA 0.282 4.602 4.320 -0.000 0.000 0.256 315 K C -1.355 175.346 176.600 0.169 0.000 0.939 315 K CA -0.008 56.341 56.287 0.103 0.000 0.833 315 K CB 2.113 34.642 32.500 0.048 0.000 1.318 315 K HN 0.929 nan 8.250 nan 0.000 0.433 316 T N -0.143 114.516 114.554 0.175 0.000 2.927 316 T HA 0.925 5.275 4.350 -0.000 0.000 0.281 316 T C 0.255 175.044 174.700 0.148 0.000 0.998 316 T CA -0.426 61.825 62.100 0.252 0.000 1.019 316 T CB 1.675 70.599 68.868 0.094 0.000 1.061 316 T HN 0.739 nan 8.240 nan 0.000 0.518 317 G N -0.890 107.997 108.800 0.146 0.000 2.616 317 G HA2 0.728 4.688 3.960 -0.000 0.000 0.294 317 G HA3 0.728 4.688 3.960 -0.000 0.000 0.294 317 G C -1.560 173.422 174.900 0.137 0.000 1.489 317 G CA -0.409 44.778 45.100 0.144 0.000 0.836 317 G HN 1.206 nan 8.290 nan 0.000 0.527 318 A N -0.204 122.697 122.820 0.134 0.000 2.599 318 A HA 1.023 5.343 4.320 -0.000 0.000 0.290 318 A C -0.046 177.626 177.584 0.147 0.000 1.101 318 A CA 0.261 52.387 52.037 0.150 0.000 0.674 318 A CB 1.554 20.608 19.000 0.091 0.000 1.277 318 A HN 2.170 nan 8.150 nan 0.000 0.419 319 T N -2.881 111.797 114.554 0.207 0.000 2.716 319 T HA 0.622 4.972 4.350 -0.000 0.000 0.286 319 T C 1.280 176.090 174.700 0.184 0.000 1.052 319 T CA 0.209 62.412 62.100 0.172 0.000 1.024 319 T CB 0.925 69.947 68.868 0.256 0.000 1.349 319 T HN 1.721 nan 8.240 nan 0.000 0.525 320 G N -0.244 108.650 108.800 0.156 0.000 2.442 320 G HA2 0.161 4.121 3.960 -0.000 0.000 0.219 320 G HA3 0.161 4.121 3.960 -0.000 0.000 0.219 320 G C 1.136 176.129 174.900 0.154 0.000 1.141 320 G CA 0.656 45.834 45.100 0.130 0.000 0.763 320 G HN 1.210 nan 8.290 nan 0.000 0.554 321 G N -1.326 107.610 108.800 0.227 0.000 3.453 321 G HA2 0.494 4.454 3.960 -0.000 0.000 0.263 321 G HA3 0.494 4.454 3.960 -0.000 0.000 0.263 321 G C -0.481 174.400 174.900 -0.031 0.000 1.060 321 G CA -0.475 44.671 45.100 0.076 0.000 0.793 321 G HN 0.191 nan 8.290 nan 0.000 0.532 322 F N -0.696 119.383 119.950 0.215 0.000 2.626 322 F HA 0.709 5.236 4.527 -0.000 0.000 0.311 322 F C 0.293 176.227 175.800 0.224 0.000 1.088 322 F CA -1.010 57.154 58.000 0.274 0.000 0.949 322 F CB 2.417 41.601 39.000 0.308 0.000 1.322 322 F HN 0.039 nan 8.300 nan 0.000 0.461 323 G N 0.558 109.634 108.800 0.459 0.000 2.719 323 G HA2 0.602 4.562 3.960 -0.000 0.000 0.298 323 G HA3 0.602 4.562 3.960 -0.000 0.000 0.298 323 G C -1.637 173.423 174.900 0.268 0.000 1.433 323 G CA -0.738 44.505 45.100 0.240 0.000 1.034 323 G HN 0.789 nan 8.290 nan 0.000 0.517 324 S N 0.432 116.257 115.700 0.207 0.000 2.618 324 S HA 0.856 5.326 4.470 -0.000 0.000 0.277 324 S C -1.609 173.174 174.600 0.305 0.000 1.138 324 S CA -0.981 57.370 58.200 0.252 0.000 0.844 324 S CB 2.446 65.791 63.200 0.243 0.000 1.127 324 S HN 1.298 nan 8.310 nan 0.000 0.474 325 Y N -0.281 120.119 120.300 0.165 0.000 2.558 325 Y HA 0.652 5.202 4.550 -0.000 0.000 0.333 325 Y C -2.082 173.962 175.900 0.241 0.000 1.125 325 Y CA -0.875 57.337 58.100 0.187 0.000 1.039 325 Y CB 1.604 40.174 38.460 0.183 0.000 1.331 325 Y HN 0.815 nan 8.280 nan 0.000 0.456 326 V N 3.902 123.586 119.914 -0.383 0.000 2.733 326 V HA 0.964 5.084 4.120 -0.000 0.000 0.306 326 V C -0.995 174.841 176.094 -0.430 0.000 1.084 326 V CA -0.245 61.956 62.300 -0.165 0.000 0.905 326 V CB 1.533 33.512 31.823 0.260 0.000 1.010 326 V HN 1.055 nan 8.190 nan 0.000 0.424 327 A N 4.539 127.150 122.820 -0.349 0.000 2.549 327 A HA 1.055 5.375 4.320 -0.000 0.000 0.297 327 A C -1.332 175.982 177.584 -0.449 0.000 1.061 327 A CA -0.530 51.163 52.037 -0.573 0.000 0.690 327 A CB 1.897 20.436 19.000 -0.768 0.000 1.287 327 A HN 1.568 nan 8.150 nan 0.000 0.402 328 F N -0.946 118.562 119.950 -0.736 0.000 2.713 328 F HA 0.827 5.354 4.527 -0.000 0.000 0.311 328 F C -1.460 173.991 175.800 -0.581 0.000 1.141 328 F CA -1.214 56.432 58.000 -0.591 0.000 0.939 328 F CB 1.279 39.995 39.000 -0.474 0.000 1.325 328 F HN 0.320 nan 8.300 nan 0.000 0.453 329 I N 2.024 122.449 120.570 -0.241 0.000 2.493 329 I HA 0.314 4.484 4.170 -0.000 0.000 0.279 329 I C -2.168 173.864 176.117 -0.142 0.000 1.045 329 I CA -1.846 59.275 61.300 -0.297 0.000 1.106 329 I CB 1.907 39.587 38.000 -0.534 0.000 1.216 329 I HN 0.361 nan 8.210 nan 0.000 0.459 330 P HA -0.230 nan 4.420 nan 0.000 0.216 330 P C 1.350 178.593 177.300 -0.096 0.000 1.153 330 P CA 1.300 64.372 63.100 -0.046 0.000 0.858 330 P CB 0.303 31.988 31.700 -0.024 0.000 0.789 331 E N -0.546 119.595 120.200 -0.100 0.000 2.333 331 E HA -0.183 4.167 4.350 -0.000 0.000 0.198 331 E C 0.997 177.528 176.600 -0.114 0.000 1.007 331 E CA 0.870 57.218 56.400 -0.086 0.000 0.845 331 E CB 0.004 29.678 29.700 -0.043 0.000 0.766 331 E HN 0.077 nan 8.360 nan 0.000 0.507 332 K N 0.142 120.439 120.400 -0.173 0.000 2.358 332 K HA 0.049 4.369 4.320 -0.000 0.000 0.200 332 K C -0.042 176.456 176.600 -0.170 0.000 1.030 332 K CA 0.013 56.193 56.287 -0.178 0.000 1.097 332 K CB 0.610 32.958 32.500 -0.254 0.000 0.862 332 K HN 0.128 nan 8.250 nan 0.000 0.534 333 E N 0.915 121.020 120.200 -0.159 0.000 2.360 333 E HA -0.232 4.118 4.350 -0.000 0.000 0.238 333 E C -1.218 175.293 176.600 -0.148 0.000 1.186 333 E CA 0.117 56.423 56.400 -0.157 0.000 0.719 333 E CB -0.995 28.608 29.700 -0.162 0.000 1.236 333 E HN 0.063 nan 8.360 nan 0.000 0.386 334 L N -0.093 121.048 121.223 -0.138 0.000 2.386 334 L HA 0.858 5.198 4.340 -0.000 0.000 0.271 334 L C 0.038 176.850 176.870 -0.096 0.000 0.993 334 L CA 0.524 55.309 54.840 -0.092 0.000 0.819 334 L CB 2.081 44.074 42.059 -0.112 0.000 1.294 334 L HN 0.101 nan 8.230 nan 0.000 0.414 335 G N 3.894 112.666 108.800 -0.047 0.000 2.608 335 G HA2 0.605 4.565 3.960 -0.000 0.000 0.291 335 G HA3 0.605 4.565 3.960 -0.000 0.000 0.291 335 G C -2.226 172.677 174.900 0.004 0.000 1.425 335 G CA -0.409 44.661 45.100 -0.049 0.000 0.787 335 G HN 0.811 nan 8.290 nan 0.000 0.484 336 I N -0.564 120.014 120.570 0.013 0.000 2.913 336 I HA 0.699 4.869 4.170 -0.000 0.000 0.302 336 I C -1.417 174.767 176.117 0.111 0.000 1.246 336 I CA -1.008 60.344 61.300 0.087 0.000 1.010 336 I CB 2.338 40.407 38.000 0.115 0.000 1.259 336 I HN 0.420 nan 8.210 nan 0.000 0.434 337 V N 6.925 126.943 119.914 0.172 0.000 2.638 337 V HA 0.537 4.657 4.120 -0.000 0.000 0.306 337 V C -0.608 175.616 176.094 0.217 0.000 1.052 337 V CA -0.447 61.968 62.300 0.192 0.000 0.885 337 V CB 1.936 33.887 31.823 0.213 0.000 0.999 337 V HN 0.645 nan 8.190 nan 0.000 0.424 338 M N 6.022 125.759 119.600 0.228 0.000 2.142 338 M HA 0.623 5.103 4.480 -0.000 0.000 0.299 338 M C -1.425 174.978 176.300 0.171 0.000 0.960 338 M CA -0.159 55.276 55.300 0.225 0.000 0.920 338 M CB 1.948 34.727 32.600 0.299 0.000 1.541 338 M HN 0.389 nan 8.290 nan 0.000 0.429 339 L N 2.736 123.971 121.223 0.021 0.000 2.362 339 L HA 1.011 5.351 4.340 -0.000 0.000 0.275 339 L C -0.498 176.301 176.870 -0.119 0.000 0.998 339 L CA -0.742 54.005 54.840 -0.155 0.000 0.820 339 L CB 1.980 43.625 42.059 -0.689 0.000 1.270 339 L HN 0.791 nan 8.230 nan 0.000 0.415 340 A N 1.707 124.701 122.820 0.290 0.000 2.475 340 A HA 0.600 4.920 4.320 -0.000 0.000 0.301 340 A C -0.679 177.318 177.584 0.688 0.000 1.059 340 A CA -0.754 51.574 52.037 0.485 0.000 0.710 340 A CB 1.359 20.613 19.000 0.422 0.000 1.288 340 A HN 0.756 nan 8.150 nan 0.000 0.408 341 N N 1.336 120.353 118.700 0.529 0.000 2.994 341 N HA 0.221 4.961 4.740 -0.000 0.000 0.306 341 N C -0.545 174.954 175.510 -0.019 0.000 1.348 341 N CA -0.114 52.927 53.050 -0.015 0.000 1.109 341 N CB 0.249 38.666 38.487 -0.116 0.000 1.415 341 N HN 0.598 nan 8.380 nan 0.000 0.529 342 K N 0.287 120.773 120.400 0.143 0.000 2.570 342 K HA 0.192 4.512 4.320 -0.000 0.000 0.256 342 K C -1.819 174.966 176.600 0.308 0.000 0.939 342 K CA -0.661 55.734 56.287 0.180 0.000 0.833 342 K CB 1.287 33.888 32.500 0.169 0.000 1.318 342 K HN 0.071 nan 8.250 nan 0.000 0.433 343 N N 3.728 122.571 118.700 0.238 0.000 2.411 343 N HA 0.192 4.932 4.740 -0.000 0.000 0.259 343 N C -1.451 174.202 175.510 0.238 0.000 1.103 343 N CA 0.084 53.260 53.050 0.211 0.000 0.954 343 N CB 0.172 38.743 38.487 0.141 0.000 1.085 343 N HN 0.473 nan 8.380 nan 0.000 0.485 344 Y N 1.055 121.400 120.300 0.075 0.000 2.633 344 Y HA 0.766 5.316 4.550 -0.000 0.000 0.339 344 Y C -2.617 173.304 175.900 0.035 0.000 1.045 344 Y CA -3.029 55.098 58.100 0.046 0.000 1.098 344 Y CB 0.006 38.487 38.460 0.035 0.000 1.296 344 Y HN 0.326 nan 8.280 nan 0.000 0.494 345 P HA 0.037 nan 4.420 nan 0.000 0.262 345 P C 0.040 177.238 177.300 -0.171 0.000 1.182 345 P CA 0.250 63.321 63.100 -0.049 0.000 0.761 345 P CB 0.719 32.436 31.700 0.028 0.000 0.795 346 N N 4.347 122.944 118.700 -0.172 0.000 2.094 346 N HA -0.138 4.602 4.740 -0.000 0.000 0.191 346 N C -0.881 174.532 175.510 -0.162 0.000 1.023 346 N CA 1.853 54.785 53.050 -0.197 0.000 0.857 346 N CB -1.789 36.609 38.487 -0.148 0.000 1.013 346 N HN 0.448 nan 8.380 nan 0.000 0.426 347 P HA -0.048 nan 4.420 nan 0.000 0.216 347 P C 1.033 178.315 177.300 -0.030 0.000 1.150 347 P CA 1.431 64.490 63.100 -0.068 0.000 0.837 347 P CB -0.051 31.623 31.700 -0.044 0.000 0.786 348 A N -0.060 122.773 122.820 0.021 0.000 1.969 348 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 348 A C 2.180 179.846 177.584 0.138 0.000 1.169 348 A CA 1.278 53.379 52.037 0.107 0.000 0.635 348 A CB -0.877 18.253 19.000 0.218 0.000 0.810 348 A HN 0.113 nan 8.150 nan 0.000 0.445 349 R N -0.583 119.952 120.500 0.058 0.000 2.066 349 R HA -0.055 4.285 4.340 -0.000 0.000 0.232 349 R C 1.974 178.214 176.300 -0.100 0.000 1.131 349 R CA 1.472 57.591 56.100 0.031 0.000 0.955 349 R CB -0.695 29.497 30.300 -0.181 0.000 0.851 349 R HN 0.365 nan 8.270 nan 0.000 0.432 350 V N 1.781 121.526 119.914 -0.282 0.000 2.358 350 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 350 V C 2.031 178.190 176.094 0.108 0.000 1.047 350 V CA 1.997 64.155 62.300 -0.237 0.000 1.035 350 V CB -0.550 31.135 31.823 -0.230 0.000 0.658 350 V HN 0.277 nan 8.190 nan 0.000 0.452 351 D N 0.648 121.097 120.400 0.082 0.000 2.104 351 D HA -0.170 4.470 4.640 -0.000 0.000 0.194 351 D C 2.154 178.590 176.300 0.227 0.000 0.994 351 D CA 1.831 55.923 54.000 0.153 0.000 0.830 351 D CB -0.116 40.734 40.800 0.084 0.000 0.959 351 D HN 0.365 nan 8.370 nan 0.000 0.452 352 A N 0.581 123.504 122.820 0.173 0.000 1.902 352 A HA 0.041 4.361 4.320 -0.000 0.000 0.217 352 A C 2.408 180.129 177.584 0.229 0.000 1.181 352 A CA 2.407 54.542 52.037 0.162 0.000 0.623 352 A CB -0.988 18.085 19.000 0.121 0.000 0.818 352 A HN 0.313 nan 8.150 nan 0.000 0.443 353 A N -1.265 121.756 122.820 0.335 0.000 1.933 353 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 353 A C 2.095 180.000 177.584 0.536 0.000 1.175 353 A CA 1.346 53.665 52.037 0.470 0.000 0.628 353 A CB -0.854 18.611 19.000 0.775 0.000 0.814 353 A HN 0.887 nan 8.150 nan 0.000 0.444 354 W N 0.722 122.252 121.300 0.384 0.000 2.381 354 W HA -0.173 4.487 4.660 -0.000 0.000 0.301 354 W C 1.813 178.471 176.519 0.232 0.000 1.205 354 W CA 1.839 59.376 57.345 0.320 0.000 1.285 354 W CB -0.258 29.255 29.460 0.089 0.000 1.133 354 W HN 0.409 nan 8.180 nan 0.000 0.521 355 Q N 0.734 120.577 119.800 0.072 0.000 2.096 355 Q HA -0.211 4.129 4.340 -0.000 0.000 0.204 355 Q C 2.270 178.208 176.000 -0.104 0.000 0.982 355 Q CA 2.026 57.793 55.803 -0.060 0.000 0.850 355 Q CB -0.814 27.958 28.738 0.057 0.000 0.901 355 Q HN 0.486 nan 8.270 nan 0.000 0.422 356 I N 0.395 120.957 120.570 -0.013 0.000 2.163 356 I HA -0.254 3.916 4.170 -0.000 0.000 0.240 356 I C 2.329 178.416 176.117 -0.051 0.000 1.081 356 I CA 0.928 62.212 61.300 -0.026 0.000 1.353 356 I CB -0.287 37.721 38.000 0.014 0.000 1.054 356 I HN 0.112 nan 8.210 nan 0.000 0.407 357 L N 0.350 121.571 121.223 -0.003 0.000 2.141 357 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 357 L C 2.210 179.010 176.870 -0.117 0.000 1.094 357 L CA 1.154 55.983 54.840 -0.018 0.000 0.763 357 L CB -0.751 41.354 42.059 0.078 0.000 0.908 357 L HN 0.332 nan 8.230 nan 0.000 0.437 358 N N 0.522 119.016 118.700 -0.343 0.000 2.244 358 N HA -0.118 4.622 4.740 -0.000 0.000 0.183 358 N C 1.758 177.149 175.510 -0.197 0.000 1.016 358 N CA 1.269 54.049 53.050 -0.450 0.000 0.866 358 N CB 0.090 37.901 38.487 -1.126 0.000 0.980 358 N HN 0.262 nan 8.380 nan 0.000 0.430 359 A N 0.109 122.827 122.820 -0.170 0.000 1.929 359 A HA 0.027 4.347 4.320 -0.000 0.000 0.216 359 A C 2.147 179.697 177.584 -0.057 0.000 1.176 359 A CA 0.831 52.812 52.037 -0.093 0.000 0.628 359 A CB -0.497 18.449 19.000 -0.089 0.000 0.816 359 A HN 0.337 nan 8.150 nan 0.000 0.444 360 L N -0.557 120.633 121.223 -0.055 0.000 2.270 360 L HA -0.019 4.321 4.340 -0.000 0.000 0.210 360 L C 1.871 178.791 176.870 0.083 0.000 1.104 360 L CA 0.084 54.919 54.840 -0.009 0.000 0.804 360 L CB -0.368 41.678 42.059 -0.021 0.000 0.937 360 L HN 0.550 nan 8.230 nan 0.000 0.450 361 Q N 0.000 119.819 119.800 0.032 0.000 2.315 361 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 361 Q CA 0.000 55.823 55.803 0.034 0.000 1.022 361 Q CB 0.000 28.755 28.738 0.028 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481