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 1xqd_1_A DATA FIRST_RESID 5 DATA SEQUENCE APSFPFSRAS GPEPPAEFAK LRATNPVSQV KLFDGSLAWL VTKHKDVCFV DATA SEQUENCE ATSEKLSKVR TRQGFPELGA GGKQAAKAKP TFVDMDPPEH MHQRSMVEPT DATA SEQUENCE FTPEAVKNLQ PYIQRTVDDL LEQMKQKGCA NGPVDLVKEF ALPVPSYIIY DATA SEQUENCE TLLGVPFNDL EYLTQQNAIR TNGSSTARQA SAANQELLDY LAILVEQRLV DATA SEQUENCE EPKDDIISKL CTEQVKPGNI DKSDAVQIAF LLLVAGNATM VNMIALGVAT DATA SEQUENCE LAQHPDQLAQ LKANPSLAPQ FVEELCRYHT ASALAIKRTA KEDVMIGDKL DATA SEQUENCE VRANEGIIAS NQSANRDEEV FENPDEFNMN RKWPPQDPLG FGFGDHRCIA DATA SEQUENCE EHLAKAELTT VFSTLYQKFP DLKVAVPLGK INYTPLNRDV GIVDLPVIF 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 5 A HA 0.000 nan 4.320 nan 0.000 0.244 5 A C 0.000 177.605 177.584 0.035 0.000 1.274 5 A CA 0.000 52.026 52.037 -0.018 0.000 0.836 5 A CB 0.000 18.957 19.000 -0.072 0.000 0.831 6 P HA 0.371 nan 4.420 nan 0.000 0.278 6 P C 0.242 177.676 177.300 0.223 0.000 1.238 6 P CA -0.050 63.157 63.100 0.180 0.000 0.794 6 P CB 1.574 33.434 31.700 0.267 0.000 0.955 7 S N 2.028 117.844 115.700 0.194 0.000 2.549 7 S HA 0.283 4.752 4.470 -0.001 0.000 0.286 7 S C -0.713 174.007 174.600 0.201 0.000 1.314 7 S CA -0.183 58.113 58.200 0.160 0.000 1.062 7 S CB -0.817 62.449 63.200 0.111 0.000 0.865 7 S HN 0.404 nan 8.310 nan 0.000 0.498 8 F N 5.981 125.874 119.950 -0.094 0.000 2.599 8 F HA 0.633 5.160 4.527 -0.001 0.000 0.311 8 F C -2.320 173.386 175.800 -0.156 0.000 1.076 8 F CA -1.966 55.846 58.000 -0.314 0.000 0.937 8 F CB 1.810 40.507 39.000 -0.505 0.000 1.282 8 F HN 0.438 nan 8.300 nan 0.000 0.460 9 P HA 0.113 nan 4.420 nan 0.000 0.269 9 P C -0.906 175.845 177.300 -0.914 0.000 1.215 9 P CA 0.169 62.130 63.100 -1.900 0.000 0.780 9 P CB 0.542 31.561 31.700 -1.135 0.000 0.898 10 F N -0.416 119.120 119.950 -0.689 0.000 2.378 10 F HA 0.247 4.773 4.527 -0.001 0.000 0.319 10 F C 1.441 177.068 175.800 -0.289 0.000 1.155 10 F CA -0.343 57.465 58.000 -0.321 0.000 1.157 10 F CB 0.013 38.835 39.000 -0.296 0.000 1.252 10 F HN 0.156 nan 8.300 nan 0.000 0.550 11 S N 0.929 116.633 115.700 0.006 0.000 2.578 11 S HA 0.447 4.916 4.470 -0.001 0.000 0.283 11 S C 0.001 174.558 174.600 -0.072 0.000 1.195 11 S CA -0.929 57.239 58.200 -0.053 0.000 1.050 11 S CB 0.863 64.035 63.200 -0.046 0.000 1.012 11 S HN 0.370 nan 8.310 nan 0.000 0.511 12 R N 1.111 121.568 120.500 -0.071 0.000 2.623 12 R HA 0.120 4.459 4.340 -0.001 0.000 0.271 12 R C 1.374 177.619 176.300 -0.091 0.000 1.043 12 R CA 0.092 56.144 56.100 -0.080 0.000 1.083 12 R CB 0.111 30.368 30.300 -0.072 0.000 0.974 12 R HN 0.785 nan 8.270 nan 0.000 0.436 13 A N 1.956 124.716 122.820 -0.098 0.000 1.940 13 A HA -0.129 4.190 4.320 -0.001 0.000 0.219 13 A C 0.840 178.373 177.584 -0.085 0.000 1.176 13 A CA 1.844 53.826 52.037 -0.092 0.000 0.631 13 A CB -0.133 18.816 19.000 -0.085 0.000 0.814 13 A HN 0.813 nan 8.150 nan 0.000 0.446 14 S N -5.154 110.484 115.700 -0.104 0.000 2.672 14 S HA 0.528 4.998 4.470 -0.001 0.000 0.271 14 S C 1.129 175.593 174.600 -0.227 0.000 1.171 14 S CA 0.205 58.328 58.200 -0.128 0.000 0.817 14 S CB 0.645 63.783 63.200 -0.105 0.000 1.150 14 S HN 1.000 nan 8.310 nan 0.000 0.478 15 G N 1.527 110.120 108.800 -0.344 0.000 2.681 15 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.220 15 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.220 15 G C -0.535 173.745 174.900 -1.033 0.000 1.210 15 G CA 1.735 46.353 45.100 -0.802 0.000 0.783 15 G HN 0.730 nan 8.290 nan 0.000 0.609 16 P HA 0.198 nan 4.420 nan 0.000 0.261 16 P C 0.077 177.361 177.300 -0.027 0.000 1.268 16 P CA 0.216 63.151 63.100 -0.276 0.000 0.833 16 P CB 0.499 32.203 31.700 0.008 0.000 1.231 17 E N 1.752 121.888 120.200 -0.108 0.000 2.250 17 E HA 0.350 4.700 4.350 -0.001 0.000 0.269 17 E C -2.273 174.289 176.600 -0.063 0.000 1.018 17 E CA -2.382 53.971 56.400 -0.078 0.000 0.873 17 E CB 0.872 30.530 29.700 -0.069 0.000 1.134 17 E HN 0.177 nan 8.360 nan 0.000 0.403 18 P HA 0.226 nan 4.420 nan 0.000 0.279 18 P C -2.659 174.615 177.300 -0.043 0.000 1.276 18 P CA -1.860 61.252 63.100 0.020 0.000 0.801 18 P CB -0.239 31.528 31.700 0.111 0.000 1.127 19 P HA 0.010 nan 4.420 nan 0.000 0.266 19 P C 0.590 177.714 177.300 -0.293 0.000 1.195 19 P CA 0.488 63.413 63.100 -0.292 0.000 0.768 19 P CB 0.023 31.395 31.700 -0.547 0.000 0.838 20 A N 3.391 126.064 122.820 -0.246 0.000 2.067 20 A HA -0.165 4.154 4.320 -0.001 0.000 0.219 20 A C 1.774 179.221 177.584 -0.229 0.000 1.158 20 A CA 1.394 53.321 52.037 -0.183 0.000 0.661 20 A CB -0.844 18.067 19.000 -0.149 0.000 0.801 20 A HN 0.514 nan 8.150 nan 0.000 0.452 21 E N -0.239 119.699 120.200 -0.438 0.000 2.110 21 E HA -0.142 4.207 4.350 -0.001 0.000 0.193 21 E C 1.456 177.967 176.600 -0.149 0.000 0.988 21 E CA 1.316 57.425 56.400 -0.484 0.000 0.804 21 E CB -0.509 28.479 29.700 -1.187 0.000 0.745 21 E HN 0.777 nan 8.360 nan 0.000 0.458 22 F N 0.701 120.646 119.950 -0.009 0.000 2.120 22 F HA -0.300 4.226 4.527 -0.002 0.000 0.300 22 F C 2.418 178.237 175.800 0.032 0.000 1.095 22 F CA 0.391 58.434 58.000 0.071 0.000 1.249 22 F CB -0.290 38.775 39.000 0.108 0.000 0.995 22 F HN 0.106 nan 8.300 nan 0.000 0.480 23 A N 0.648 123.580 122.820 0.186 0.000 1.883 23 A HA -0.231 4.088 4.320 -0.001 0.000 0.217 23 A C 2.100 179.727 177.584 0.071 0.000 1.186 23 A CA 1.893 53.993 52.037 0.105 0.000 0.624 23 A CB -0.602 18.432 19.000 0.057 0.000 0.822 23 A HN 0.355 nan 8.150 nan 0.000 0.444 24 K N -0.176 120.249 120.400 0.040 0.000 2.057 24 K HA -0.023 4.297 4.320 -0.001 0.000 0.207 24 K C 1.874 178.502 176.600 0.047 0.000 1.049 24 K CA 1.398 57.699 56.287 0.022 0.000 0.931 24 K CB -0.458 32.033 32.500 -0.015 0.000 0.714 24 K HN 0.446 nan 8.250 nan 0.000 0.440 25 L N 0.905 122.178 121.223 0.084 0.000 2.017 25 L HA -0.179 4.160 4.340 -0.001 0.000 0.208 25 L C 2.639 179.563 176.870 0.091 0.000 1.073 25 L CA 1.334 56.239 54.840 0.109 0.000 0.745 25 L CB -0.463 41.712 42.059 0.194 0.000 0.894 25 L HN 0.177 nan 8.230 nan 0.000 0.432 26 R N -0.056 120.502 120.500 0.096 0.000 2.091 26 R HA -0.167 4.173 4.340 -0.001 0.000 0.238 26 R C 2.368 178.693 176.300 0.043 0.000 1.136 26 R CA 1.500 57.639 56.100 0.064 0.000 0.959 26 R CB -0.485 29.854 30.300 0.065 0.000 0.856 26 R HN 0.383 nan 8.270 nan 0.000 0.437 27 A N 0.167 123.012 122.820 0.041 0.000 1.968 27 A HA -0.107 4.213 4.320 -0.001 0.000 0.217 27 A C 1.960 179.556 177.584 0.021 0.000 1.169 27 A CA 1.826 53.879 52.037 0.025 0.000 0.638 27 A CB -0.120 18.893 19.000 0.022 0.000 0.812 27 A HN 0.497 nan 8.150 nan 0.000 0.446 28 T N -5.873 108.697 114.554 0.027 0.000 3.041 28 T HA 0.240 4.590 4.350 -0.001 0.000 0.276 28 T C 0.041 174.760 174.700 0.032 0.000 0.948 28 T CA 0.394 62.508 62.100 0.023 0.000 0.885 28 T CB -0.008 68.871 68.868 0.018 0.000 1.175 28 T HN 0.237 nan 8.240 nan 0.000 0.529 29 N N 1.676 120.403 118.700 0.045 0.000 2.679 29 N HA 0.297 5.037 4.740 -0.001 0.000 0.240 29 N C -2.230 173.326 175.510 0.076 0.000 1.537 29 N CA -1.437 51.649 53.050 0.060 0.000 0.793 29 N CB 1.404 39.928 38.487 0.062 0.000 1.391 29 N HN -0.021 nan 8.380 nan 0.000 0.524 30 P HA -0.109 nan 4.420 nan 0.000 0.216 30 P C -0.182 177.157 177.300 0.065 0.000 1.150 30 P CA 0.963 64.095 63.100 0.053 0.000 0.843 30 P CB 0.623 32.337 31.700 0.023 0.000 0.787 31 V N 0.837 120.802 119.914 0.084 0.000 2.325 31 V HA 0.318 4.438 4.120 -0.001 0.000 0.280 31 V C 0.237 176.500 176.094 0.282 0.000 1.016 31 V CA -0.338 62.045 62.300 0.138 0.000 0.818 31 V CB 1.186 33.034 31.823 0.041 0.000 1.019 31 V HN 0.250 nan 8.190 nan 0.000 0.434 32 S N 3.818 119.691 115.700 0.287 0.000 2.661 32 S HA 0.701 5.170 4.470 -0.001 0.000 0.285 32 S C -1.021 173.559 174.600 -0.032 0.000 1.138 32 S CA -1.038 57.282 58.200 0.200 0.000 0.855 32 S CB 2.113 65.374 63.200 0.102 0.000 1.136 32 S HN 0.532 nan 8.310 nan 0.000 0.484 33 Q N 0.499 120.091 119.800 -0.347 0.000 2.235 33 Q HA 0.636 4.976 4.340 -0.001 0.000 0.250 33 Q C -0.397 175.440 176.000 -0.272 0.000 0.909 33 Q CA -0.887 54.575 55.803 -0.568 0.000 0.910 33 Q CB 1.713 29.988 28.738 -0.771 0.000 1.223 33 Q HN 0.713 nan 8.270 nan 0.000 0.432 34 V N -1.288 118.466 119.914 -0.267 0.000 3.001 34 V HA 0.573 4.693 4.120 -0.001 0.000 0.314 34 V C -0.898 175.129 176.094 -0.111 0.000 1.099 34 V CA -1.176 61.042 62.300 -0.135 0.000 0.989 34 V CB 1.965 33.666 31.823 -0.204 0.000 1.040 34 V HN 0.674 nan 8.190 nan 0.000 0.434 35 K N 2.676 123.064 120.400 -0.020 0.000 2.234 35 K HA 0.610 4.930 4.320 -0.001 0.000 0.277 35 K C -0.803 175.819 176.600 0.037 0.000 1.038 35 K CA -0.613 55.664 56.287 -0.016 0.000 0.888 35 K CB 0.952 33.451 32.500 -0.002 0.000 1.091 35 K HN 0.786 nan 8.250 nan 0.000 0.467 36 L N 4.579 125.815 121.223 0.021 0.000 2.454 36 L HA 0.205 4.544 4.340 -0.001 0.000 0.256 36 L C 1.595 178.512 176.870 0.077 0.000 1.136 36 L CA -0.677 54.227 54.840 0.107 0.000 0.804 36 L CB 0.175 42.303 42.059 0.115 0.000 1.181 36 L HN 0.749 nan 8.230 nan 0.000 0.469 37 F N 0.534 120.488 119.950 0.006 0.000 2.236 37 F HA -0.240 4.287 4.527 -0.001 0.000 0.302 37 F C 1.522 177.323 175.800 0.002 0.000 1.073 37 F CA 1.168 59.169 58.000 0.001 0.000 1.336 37 F CB -0.879 38.120 39.000 -0.001 0.000 1.040 37 F HN 0.617 nan 8.300 nan 0.000 0.507 38 D N -1.110 118.612 120.400 -1.130 0.000 2.325 38 D HA 0.247 4.887 4.640 -0.001 0.000 0.225 38 D C 1.871 177.945 176.300 -0.378 0.000 1.096 38 D CA 0.368 53.837 54.000 -0.886 0.000 0.844 38 D CB -0.194 39.981 40.800 -1.041 0.000 0.925 38 D HN 0.538 nan 8.370 nan 0.000 0.513 39 G N 0.279 108.932 108.800 -0.245 0.000 2.199 39 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.254 39 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.254 39 G C 0.482 175.309 174.900 -0.122 0.000 0.982 39 G CA 0.415 45.430 45.100 -0.141 0.000 0.632 39 G HN 0.826 nan 8.290 nan 0.000 0.529 40 S N -0.040 115.574 115.700 -0.143 0.000 2.603 40 S HA 0.716 5.186 4.470 -0.001 0.000 0.268 40 S C 0.176 174.713 174.600 -0.105 0.000 1.317 40 S CA -0.530 57.605 58.200 -0.108 0.000 1.012 40 S CB 1.701 64.844 63.200 -0.095 0.000 0.926 40 S HN 0.695 nan 8.310 nan 0.000 0.539 41 L N 1.652 122.800 121.223 -0.124 0.000 2.322 41 L HA 0.753 5.092 4.340 -0.001 0.000 0.281 41 L C 0.200 176.932 176.870 -0.231 0.000 1.014 41 L CA -0.666 54.060 54.840 -0.190 0.000 0.815 41 L CB 1.513 43.432 42.059 -0.235 0.000 1.247 41 L HN 0.959 nan 8.230 nan 0.000 0.421 42 A N 2.419 125.078 122.820 -0.269 0.000 2.430 42 A HA 0.758 5.078 4.320 -0.001 0.000 0.300 42 A C -1.982 175.386 177.584 -0.360 0.000 1.124 42 A CA -0.508 51.383 52.037 -0.242 0.000 0.766 42 A CB 0.934 19.845 19.000 -0.149 0.000 1.328 42 A HN 0.651 nan 8.150 nan 0.000 0.424 43 W N 0.454 121.677 121.300 -0.129 0.000 2.351 43 W HA 0.543 5.202 4.660 -0.001 0.000 0.311 43 W C -0.262 176.143 176.519 -0.189 0.000 1.168 43 W CA -0.050 57.219 57.345 -0.127 0.000 1.200 43 W CB 1.389 30.799 29.460 -0.083 0.000 1.221 43 W HN 0.488 nan 8.180 nan 0.000 0.519 44 L N 5.130 126.355 121.223 0.003 0.000 2.287 44 L HA 0.632 4.971 4.340 -0.001 0.000 0.287 44 L C -0.845 176.028 176.870 0.005 0.000 1.022 44 L CA -0.674 54.089 54.840 -0.129 0.000 0.814 44 L CB 0.974 42.878 42.059 -0.258 0.000 1.217 44 L HN 0.181 nan 8.230 nan 0.000 0.420 45 V N 4.555 124.450 119.914 -0.032 0.000 2.398 45 V HA 0.425 4.544 4.120 -0.001 0.000 0.286 45 V C 0.890 176.939 176.094 -0.074 0.000 1.026 45 V CA 0.275 62.564 62.300 -0.018 0.000 0.868 45 V CB 1.217 33.033 31.823 -0.012 0.000 0.982 45 V HN 0.936 nan 8.190 nan 0.000 0.443 46 T N 0.430 114.953 114.554 -0.053 0.000 2.959 46 T HA 0.258 4.608 4.350 -0.001 0.000 0.254 46 T C 0.582 175.244 174.700 -0.063 0.000 1.003 46 T CA -0.269 61.768 62.100 -0.104 0.000 0.950 46 T CB 0.333 69.182 68.868 -0.031 0.000 1.090 46 T HN 0.345 nan 8.240 nan 0.000 0.503 47 K N 1.830 122.216 120.400 -0.023 0.000 2.174 47 K HA 0.249 4.569 4.320 -0.001 0.000 0.275 47 K C 0.904 177.516 176.600 0.019 0.000 1.015 47 K CA -0.590 55.702 56.287 0.009 0.000 0.933 47 K CB 0.920 33.425 32.500 0.008 0.000 1.025 47 K HN 0.145 nan 8.250 nan 0.000 0.463 48 H N 4.401 123.443 119.070 -0.048 0.000 2.319 48 H HA -0.201 4.354 4.556 -0.001 0.000 0.297 48 H C 1.460 176.733 175.328 -0.091 0.000 1.097 48 H CA 2.654 58.663 56.048 -0.065 0.000 1.285 48 H CB 0.507 30.230 29.762 -0.067 0.000 1.368 48 H HN 0.609 nan 8.280 nan 0.000 0.495 49 K N -0.052 120.424 120.400 0.128 0.000 2.063 49 K HA -0.135 4.185 4.320 -0.001 0.000 0.208 49 K C 1.643 178.263 176.600 0.033 0.000 1.048 49 K CA 1.840 58.170 56.287 0.073 0.000 0.928 49 K CB -0.047 32.480 32.500 0.046 0.000 0.713 49 K HN 0.177 nan 8.250 nan 0.000 0.442 50 D N 1.143 121.550 120.400 0.011 0.000 2.149 50 D HA -0.078 4.562 4.640 -0.001 0.000 0.201 50 D C 2.162 178.494 176.300 0.054 0.000 0.972 50 D CA 0.901 54.917 54.000 0.027 0.000 0.835 50 D CB -0.163 40.625 40.800 -0.021 0.000 0.966 50 D HN 0.072 nan 8.370 nan 0.000 0.476 51 V N 0.702 120.591 119.914 -0.041 0.000 2.343 51 V HA -0.251 3.869 4.120 -0.001 0.000 0.247 51 V C 2.667 178.717 176.094 -0.074 0.000 1.051 51 V CA 1.199 63.454 62.300 -0.074 0.000 1.036 51 V CB -0.482 31.244 31.823 -0.160 0.000 0.654 51 V HN 0.282 nan 8.190 nan 0.000 0.451 52 C N -0.528 118.661 119.300 -0.185 0.000 2.429 52 C HA -0.170 4.289 4.460 -0.001 0.000 0.277 52 C C 2.563 177.616 174.990 0.106 0.000 1.262 52 C CA 1.197 60.105 59.018 -0.183 0.000 1.733 52 C CB -1.203 26.279 27.740 -0.430 0.000 2.010 52 C HN 0.674 nan 8.230 nan 0.000 0.483 53 F N 1.453 121.398 119.950 -0.007 0.000 2.134 53 F HA -0.135 4.391 4.527 -0.001 0.000 0.299 53 F C 2.221 178.038 175.800 0.029 0.000 1.097 53 F CA 1.725 59.740 58.000 0.025 0.000 1.264 53 F CB -0.438 38.557 39.000 -0.008 0.000 1.001 53 F HN 0.017 nan 8.300 nan 0.000 0.479 54 V N 0.629 120.624 119.914 0.136 0.000 2.332 54 V HA -0.314 3.805 4.120 -0.001 0.000 0.248 54 V C 2.705 178.779 176.094 -0.033 0.000 1.055 54 V CA 1.861 64.186 62.300 0.043 0.000 1.038 54 V CB -1.515 30.355 31.823 0.077 0.000 0.651 54 V HN 0.494 nan 8.190 nan 0.000 0.450 55 A N 0.130 122.968 122.820 0.030 0.000 2.121 55 A HA -0.130 4.189 4.320 -0.001 0.000 0.218 55 A C 2.253 179.863 177.584 0.044 0.000 1.154 55 A CA 2.025 54.111 52.037 0.082 0.000 0.679 55 A CB -0.498 18.625 19.000 0.205 0.000 0.795 55 A HN 0.657 nan 8.150 nan 0.000 0.458 56 T N -4.376 110.155 114.554 -0.039 0.000 2.975 56 T HA 0.235 4.584 4.350 -0.001 0.000 0.257 56 T C 0.828 175.395 174.700 -0.222 0.000 1.003 56 T CA 0.554 62.598 62.100 -0.094 0.000 0.932 56 T CB -0.325 68.527 68.868 -0.027 0.000 1.087 56 T HN 0.213 nan 8.240 nan 0.000 0.512 57 S N 1.667 117.118 115.700 -0.415 0.000 2.525 57 S HA 0.114 4.584 4.470 -0.001 0.000 0.285 57 S C 1.090 175.569 174.600 -0.200 0.000 1.283 57 S CA -0.260 57.660 58.200 -0.467 0.000 1.072 57 S CB 0.882 63.650 63.200 -0.721 0.000 0.867 57 S HN 0.436 nan 8.310 nan 0.000 0.492 58 E N 3.856 123.976 120.200 -0.133 0.000 2.478 58 E HA 0.027 4.376 4.350 -0.001 0.000 0.198 58 E C 1.212 177.791 176.600 -0.035 0.000 1.046 58 E CA 1.089 57.453 56.400 -0.060 0.000 0.870 58 E CB 0.103 29.780 29.700 -0.038 0.000 0.818 58 E HN 0.682 nan 8.360 nan 0.000 0.527 59 K N -0.487 119.886 120.400 -0.044 0.000 2.444 59 K HA 0.162 4.482 4.320 -0.001 0.000 0.193 59 K C -0.082 176.518 176.600 0.001 0.000 1.024 59 K CA 0.099 56.382 56.287 -0.006 0.000 1.077 59 K CB 0.416 32.928 32.500 0.020 0.000 0.833 59 K HN 0.121 nan 8.250 nan 0.000 0.517 60 L N -0.021 121.193 121.223 -0.016 0.000 2.330 60 L HA 0.343 4.683 4.340 -0.001 0.000 0.271 60 L C -0.081 176.800 176.870 0.018 0.000 1.013 60 L CA -0.823 54.019 54.840 0.004 0.000 0.816 60 L CB 1.877 43.930 42.059 -0.010 0.000 1.287 60 L HN -0.170 nan 8.230 nan 0.000 0.435 61 S N 0.233 115.958 115.700 0.042 0.000 2.532 61 S HA 0.349 4.818 4.470 -0.001 0.000 0.301 61 S C 0.253 174.894 174.600 0.068 0.000 1.083 61 S CA -0.561 57.671 58.200 0.054 0.000 1.025 61 S CB 1.891 65.129 63.200 0.064 0.000 1.056 61 S HN 0.661 nan 8.310 nan 0.000 0.494 62 K N 2.728 123.145 120.400 0.028 0.000 2.361 62 K HA 0.307 4.626 4.320 -0.001 0.000 0.194 62 K C -0.231 176.355 176.600 -0.023 0.000 1.032 62 K CA 0.174 56.442 56.287 -0.033 0.000 1.048 62 K CB -0.069 32.272 32.500 -0.265 0.000 0.842 62 K HN 0.514 nan 8.250 nan 0.000 0.526 63 V N 3.091 123.001 119.914 -0.006 0.000 2.506 63 V HA -0.074 4.045 4.120 -0.001 0.000 0.296 63 V C 1.513 177.474 176.094 -0.221 0.000 1.004 63 V CA 0.512 62.769 62.300 -0.071 0.000 1.150 63 V CB 0.585 32.399 31.823 -0.014 0.000 0.911 63 V HN 0.347 nan 8.190 nan 0.000 0.476 64 R N 3.519 123.734 120.500 -0.476 0.000 2.115 64 R HA -0.111 4.228 4.340 -0.001 0.000 0.230 64 R C 1.919 177.855 176.300 -0.607 0.000 1.111 64 R CA 1.725 57.190 56.100 -1.058 0.000 0.976 64 R CB -0.017 29.786 30.300 -0.828 0.000 0.870 64 R HN 0.913 nan 8.270 nan 0.000 0.445 65 T N -2.270 112.131 114.554 -0.255 0.000 3.107 65 T HA 0.153 4.502 4.350 -0.001 0.000 0.249 65 T C 0.744 175.437 174.700 -0.012 0.000 1.096 65 T CA -0.405 61.637 62.100 -0.097 0.000 1.012 65 T CB -0.068 68.760 68.868 -0.068 0.000 0.977 65 T HN 0.089 nan 8.240 nan 0.000 0.527 66 R N 2.132 122.636 120.500 0.007 0.000 2.679 66 R HA 0.091 4.430 4.340 -0.001 0.000 0.268 66 R C 0.440 176.806 176.300 0.110 0.000 1.044 66 R CA -0.300 55.840 56.100 0.065 0.000 1.105 66 R CB 0.363 30.716 30.300 0.089 0.000 0.989 66 R HN 0.450 nan 8.270 nan 0.000 0.447 67 Q N 2.139 121.989 119.800 0.083 0.000 2.283 67 Q HA -0.031 4.309 4.340 -0.001 0.000 0.301 67 Q C 0.499 176.562 176.000 0.105 0.000 1.063 67 Q CA 1.371 57.223 55.803 0.083 0.000 0.952 67 Q CB 0.337 29.110 28.738 0.058 0.000 1.166 67 Q HN 0.932 nan 8.270 nan 0.000 0.381 68 G N 3.671 112.535 108.800 0.107 0.000 2.175 68 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.244 68 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.244 68 G C -0.181 174.786 174.900 0.111 0.000 0.982 68 G CA -0.043 45.113 45.100 0.094 0.000 0.641 68 G HN 0.690 nan 8.290 nan 0.000 0.527 69 F N 3.941 123.914 119.950 0.038 0.000 2.608 69 F HA 0.417 4.943 4.527 -0.001 0.000 0.380 69 F C -0.958 174.875 175.800 0.056 0.000 1.083 69 F CA -1.003 57.021 58.000 0.040 0.000 1.266 69 F CB 0.714 39.733 39.000 0.032 0.000 1.076 69 F HN 0.017 nan 8.300 nan 0.000 0.574 70 P HA 0.014 nan 4.420 nan 0.000 0.244 70 P C -0.836 176.404 177.300 -0.099 0.000 1.769 70 P CA -0.038 62.901 63.100 -0.268 0.000 1.102 70 P CB 0.116 31.635 31.700 -0.301 0.000 1.937 71 E N 1.705 122.014 120.200 0.181 0.000 2.392 71 E HA 0.086 4.436 4.350 -0.001 0.000 0.264 71 E C 1.287 178.026 176.600 0.231 0.000 1.024 71 E CA -0.159 56.398 56.400 0.261 0.000 0.903 71 E CB 1.261 31.151 29.700 0.316 0.000 0.963 71 E HN 0.430 nan 8.360 nan 0.000 0.432 72 L N 0.696 121.967 121.223 0.081 0.000 2.529 72 L HA 0.239 4.578 4.340 -0.001 0.000 0.223 72 L C 1.133 177.804 176.870 -0.331 0.000 1.113 72 L CA 0.153 55.001 54.840 0.015 0.000 0.861 72 L CB 0.187 42.241 42.059 -0.008 0.000 1.012 72 L HN 0.419 nan 8.230 nan 0.000 0.461 73 G N -1.817 106.579 108.800 -0.674 0.000 2.684 73 G HA2 0.496 4.456 3.960 -0.001 0.000 0.290 73 G HA3 0.496 4.456 3.960 -0.001 0.000 0.290 73 G C 0.322 174.493 174.900 -1.215 0.000 1.425 73 G CA 0.075 44.467 45.100 -1.179 0.000 0.822 73 G HN -0.144 nan 8.290 nan 0.000 0.482 74 A N -0.323 121.924 122.820 -0.956 0.000 1.972 74 A HA 0.140 4.459 4.320 -0.001 0.000 0.219 74 A C 2.530 180.053 177.584 -0.102 0.000 1.169 74 A CA 2.655 54.568 52.037 -0.208 0.000 0.635 74 A CB -0.872 18.145 19.000 0.028 0.000 0.810 74 A HN 1.492 nan 8.150 nan 0.000 0.446 75 G N -0.589 108.121 108.800 -0.149 0.000 2.432 75 G HA2 0.037 3.997 3.960 -0.001 0.000 0.219 75 G HA3 0.037 3.997 3.960 -0.001 0.000 0.219 75 G C 1.476 176.350 174.900 -0.044 0.000 1.135 75 G CA 1.189 46.245 45.100 -0.072 0.000 0.767 75 G HN 0.693 nan 8.290 nan 0.000 0.550 76 G N 1.029 109.791 108.800 -0.064 0.000 2.440 76 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.218 76 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.218 76 G C 1.849 176.773 174.900 0.041 0.000 1.154 76 G CA 1.336 46.439 45.100 0.005 0.000 0.767 76 G HN 0.399 nan 8.290 nan 0.000 0.552 77 K N 0.176 120.615 120.400 0.066 0.000 2.103 77 K HA -0.041 4.278 4.320 -0.001 0.000 0.207 77 K C 2.736 179.355 176.600 0.033 0.000 1.048 77 K CA 1.069 57.402 56.287 0.076 0.000 0.930 77 K CB -0.144 32.424 32.500 0.114 0.000 0.716 77 K HN 0.225 nan 8.250 nan 0.000 0.444 78 Q N -0.544 119.268 119.800 0.019 0.000 2.096 78 Q HA 0.103 4.442 4.340 -0.001 0.000 0.197 78 Q C 2.179 178.171 176.000 -0.013 0.000 0.964 78 Q CA 1.423 57.228 55.803 0.002 0.000 0.838 78 Q CB -0.388 28.351 28.738 0.002 0.000 0.906 78 Q HN 0.311 nan 8.270 nan 0.000 0.444 79 A N 1.270 124.085 122.820 -0.009 0.000 1.933 79 A HA -0.068 4.251 4.320 -0.001 0.000 0.218 79 A C 2.263 179.824 177.584 -0.039 0.000 1.175 79 A CA 1.763 53.792 52.037 -0.013 0.000 0.628 79 A CB -0.651 18.356 19.000 0.011 0.000 0.814 79 A HN 0.335 nan 8.150 nan 0.000 0.444 80 A N -0.272 122.523 122.820 -0.041 0.000 2.178 80 A HA -0.128 4.192 4.320 -0.001 0.000 0.218 80 A C 1.906 179.445 177.584 -0.074 0.000 1.157 80 A CA 1.571 53.560 52.037 -0.078 0.000 0.689 80 A CB -0.427 18.524 19.000 -0.082 0.000 0.787 80 A HN 0.581 nan 8.150 nan 0.000 0.465 81 K N 0.040 120.406 120.400 -0.056 0.000 2.439 81 K HA 0.188 4.507 4.320 -0.001 0.000 0.197 81 K C 0.887 177.442 176.600 -0.075 0.000 1.041 81 K CA 0.273 56.527 56.287 -0.055 0.000 0.970 81 K CB -0.267 32.208 32.500 -0.041 0.000 0.773 81 K HN 0.487 nan 8.250 nan 0.000 0.479 82 A N 2.421 125.182 122.820 -0.098 0.000 2.483 82 A HA -0.027 4.292 4.320 -0.001 0.000 0.238 82 A C 0.058 177.579 177.584 -0.104 0.000 1.070 82 A CA -0.128 51.828 52.037 -0.135 0.000 0.770 82 A CB 0.109 19.001 19.000 -0.180 0.000 1.008 82 A HN 0.210 nan 8.150 nan 0.000 0.497 83 K N 2.907 123.245 120.400 -0.102 0.000 2.484 83 K HA 0.101 4.421 4.320 -0.001 0.000 0.280 83 K C -2.162 174.405 176.600 -0.055 0.000 1.013 83 K CA -1.004 55.245 56.287 -0.064 0.000 1.029 83 K CB 0.279 32.748 32.500 -0.051 0.000 0.902 83 K HN 0.487 nan 8.250 nan 0.000 0.481 84 P HA -0.005 nan 4.420 nan 0.000 0.268 84 P C -0.674 176.625 177.300 -0.001 0.000 1.204 84 P CA -0.111 62.971 63.100 -0.030 0.000 0.768 84 P CB 1.060 32.748 31.700 -0.020 0.000 0.842 85 T N -0.872 113.671 114.554 -0.019 0.000 2.807 85 T HA 0.403 4.752 4.350 -0.001 0.000 0.277 85 T C 1.180 175.902 174.700 0.037 0.000 1.006 85 T CA -0.684 61.414 62.100 -0.003 0.000 1.006 85 T CB 0.313 69.115 68.868 -0.110 0.000 1.274 85 T HN 0.278 nan 8.240 nan 0.000 0.569 86 F N -0.165 119.853 119.950 0.114 0.000 2.307 86 F HA 0.041 4.567 4.527 -0.001 0.000 0.301 86 F C 2.012 178.001 175.800 0.315 0.000 1.076 86 F CA 0.720 58.836 58.000 0.195 0.000 1.383 86 F CB -1.186 37.875 39.000 0.101 0.000 1.055 86 F HN 0.287 nan 8.300 nan 0.000 0.526 87 V N 1.109 120.913 119.914 -0.183 0.000 3.141 87 V HA -0.135 3.984 4.120 -0.001 0.000 0.265 87 V C 0.783 176.868 176.094 -0.013 0.000 1.126 87 V CA 1.937 64.219 62.300 -0.030 0.000 1.141 87 V CB -0.659 31.028 31.823 -0.227 0.000 0.743 87 V HN 0.419 nan 8.190 nan 0.000 0.492 88 D N -0.307 120.096 120.400 0.004 0.000 2.462 88 D HA 0.281 4.921 4.640 -0.001 0.000 0.221 88 D C 0.259 176.582 176.300 0.039 0.000 1.173 88 D CA 0.123 54.098 54.000 -0.043 0.000 0.831 88 D CB 0.556 41.304 40.800 -0.085 0.000 1.001 88 D HN 0.433 nan 8.370 nan 0.000 0.499 89 M N 0.262 119.970 119.600 0.179 0.000 2.664 89 M HA 0.319 4.799 4.480 -0.001 0.000 0.314 89 M C -0.452 175.996 176.300 0.245 0.000 1.200 89 M CA -0.772 54.656 55.300 0.212 0.000 0.916 89 M CB 2.404 35.168 32.600 0.274 0.000 1.717 89 M HN -0.323 nan 8.290 nan 0.000 0.470 90 D N 0.691 121.197 120.400 0.176 0.000 2.449 90 D HA 0.539 5.178 4.640 -0.001 0.000 0.250 90 D C -2.537 173.854 176.300 0.151 0.000 1.050 90 D CA -1.347 52.740 54.000 0.144 0.000 1.024 90 D CB 0.997 41.851 40.800 0.090 0.000 1.218 90 D HN 0.161 nan 8.370 nan 0.000 0.566 91 P HA 0.136 nan 4.420 nan 0.000 0.271 91 P C -1.790 175.552 177.300 0.071 0.000 1.218 91 P CA -0.755 62.406 63.100 0.101 0.000 0.780 91 P CB 0.344 32.080 31.700 0.061 0.000 0.901 92 P HA 0.060 nan 4.420 nan 0.000 0.257 92 P C 0.630 177.988 177.300 0.096 0.000 1.241 92 P CA 0.610 63.746 63.100 0.061 0.000 0.816 92 P CB 0.465 32.178 31.700 0.022 0.000 1.150 93 E N -0.378 119.887 120.200 0.108 0.000 2.085 93 E HA -0.220 4.130 4.350 -0.001 0.000 0.194 93 E C 2.111 178.838 176.600 0.212 0.000 0.994 93 E CA 1.060 57.549 56.400 0.149 0.000 0.801 93 E CB -1.142 28.638 29.700 0.132 0.000 0.743 93 E HN 0.495 nan 8.360 nan 0.000 0.453 94 H N -0.015 119.122 119.070 0.113 0.000 2.257 94 H HA -0.175 4.380 4.556 -0.001 0.000 0.292 94 H C 1.705 177.055 175.328 0.037 0.000 1.075 94 H CA 1.900 58.013 56.048 0.109 0.000 1.212 94 H CB 0.001 29.782 29.762 0.031 0.000 1.354 94 H HN 0.110 nan 8.280 nan 0.000 0.497 95 M N 0.217 119.674 119.600 -0.238 0.000 2.374 95 M HA -0.122 4.358 4.480 -0.001 0.000 0.264 95 M C 2.178 178.376 176.300 -0.169 0.000 1.067 95 M CA 1.213 56.315 55.300 -0.330 0.000 1.103 95 M CB -1.366 31.128 32.600 -0.176 0.000 1.402 95 M HN 0.458 nan 8.290 nan 0.000 0.444 96 H N 0.179 119.182 119.070 -0.111 0.000 2.387 96 H HA -0.141 4.415 4.556 -0.001 0.000 0.299 96 H C 2.134 177.418 175.328 -0.074 0.000 1.090 96 H CA 2.273 58.282 56.048 -0.067 0.000 1.332 96 H CB 0.139 29.891 29.762 -0.016 0.000 1.386 96 H HN 0.501 nan 8.280 nan 0.000 0.516 97 Q N -0.388 119.339 119.800 -0.121 0.000 2.259 97 Q HA -0.034 4.306 4.340 -0.001 0.000 0.201 97 Q C 2.474 178.302 176.000 -0.286 0.000 0.938 97 Q CA 0.368 56.094 55.803 -0.129 0.000 0.872 97 Q CB 0.141 28.954 28.738 0.126 0.000 0.971 97 Q HN 0.405 nan 8.270 nan 0.000 0.494 98 R N 0.385 120.553 120.500 -0.555 0.000 2.120 98 R HA -0.114 4.226 4.340 -0.001 0.000 0.234 98 R C 2.204 178.154 176.300 -0.584 0.000 1.123 98 R CA 1.780 57.238 56.100 -1.071 0.000 0.975 98 R CB -0.201 29.356 30.300 -1.239 0.000 0.866 98 R HN 0.276 nan 8.270 nan 0.000 0.446 99 S N -0.006 115.461 115.700 -0.388 0.000 2.469 99 S HA -0.142 4.327 4.470 -0.001 0.000 0.238 99 S C 1.894 176.382 174.600 -0.186 0.000 0.998 99 S CA 1.142 59.195 58.200 -0.245 0.000 0.957 99 S CB -0.209 62.876 63.200 -0.192 0.000 0.764 99 S HN 0.374 nan 8.310 nan 0.000 0.514 100 M N 1.280 120.758 119.600 -0.203 0.000 2.374 100 M HA 0.019 4.498 4.480 -0.001 0.000 0.264 100 M C 1.787 178.057 176.300 -0.050 0.000 1.067 100 M CA 1.255 56.482 55.300 -0.121 0.000 1.103 100 M CB -0.219 32.317 32.600 -0.107 0.000 1.402 100 M HN 0.496 nan 8.290 nan 0.000 0.444 101 V N -4.900 114.984 119.914 -0.050 0.000 3.432 101 V HA 0.182 4.301 4.120 -0.001 0.000 0.298 101 V C 1.411 177.615 176.094 0.184 0.000 1.464 101 V CA 0.128 62.481 62.300 0.089 0.000 1.046 101 V CB -0.158 31.778 31.823 0.188 0.000 0.887 101 V HN 0.207 nan 8.190 nan 0.000 0.441 102 E N 2.129 122.354 120.200 0.042 0.000 2.118 102 E HA -0.100 4.249 4.350 -0.001 0.000 0.195 102 E C -0.259 176.436 176.600 0.160 0.000 0.992 102 E CA 2.279 58.744 56.400 0.108 0.000 0.804 102 E CB -1.166 28.503 29.700 -0.052 0.000 0.741 102 E HN 0.528 nan 8.360 nan 0.000 0.458 103 P HA -0.175 nan 4.420 nan 0.000 0.217 103 P C 1.018 178.304 177.300 -0.024 0.000 1.151 103 P CA 1.847 64.954 63.100 0.011 0.000 0.849 103 P CB -0.060 31.630 31.700 -0.015 0.000 0.787 104 T N -1.866 112.642 114.554 -0.077 0.000 2.915 104 T HA -0.059 4.290 4.350 -0.001 0.000 0.269 104 T C 0.815 175.233 174.700 -0.470 0.000 1.071 104 T CA 1.094 62.993 62.100 -0.334 0.000 1.132 104 T CB -0.655 67.863 68.868 -0.583 0.000 0.878 104 T HN 0.102 nan 8.240 nan 0.000 0.479 105 F N 1.521 121.487 119.950 0.027 0.000 2.664 105 F HA 0.231 4.757 4.527 -0.001 0.000 0.303 105 F C 1.524 177.376 175.800 0.087 0.000 1.092 105 F CA -0.734 57.301 58.000 0.059 0.000 1.305 105 F CB -0.676 38.360 39.000 0.061 0.000 1.054 105 F HN -0.000 nan 8.300 nan 0.000 0.565 106 T N -2.188 112.451 114.554 0.143 0.000 2.802 106 T HA 0.081 4.431 4.350 -0.001 0.000 0.305 106 T C -1.658 173.005 174.700 -0.061 0.000 1.053 106 T CA -1.317 60.812 62.100 0.049 0.000 1.058 106 T CB 1.093 69.956 68.868 -0.009 0.000 0.988 106 T HN -0.165 nan 8.240 nan 0.000 0.539 107 P HA -0.089 nan 4.420 nan 0.000 0.216 107 P C 1.503 178.722 177.300 -0.136 0.000 1.150 107 P CA 1.133 64.039 63.100 -0.323 0.000 0.837 107 P CB 0.082 31.534 31.700 -0.414 0.000 0.786 108 E N -0.333 119.806 120.200 -0.102 0.000 2.047 108 E HA -0.179 4.171 4.350 -0.001 0.000 0.191 108 E C 1.938 178.510 176.600 -0.047 0.000 0.987 108 E CA 1.217 57.580 56.400 -0.063 0.000 0.799 108 E CB -0.557 29.111 29.700 -0.054 0.000 0.752 108 E HN 0.047 nan 8.360 nan 0.000 0.449 109 A N 0.558 123.350 122.820 -0.046 0.000 1.902 109 A HA -0.130 4.190 4.320 -0.001 0.000 0.217 109 A C 2.395 179.957 177.584 -0.037 0.000 1.181 109 A CA 1.460 53.468 52.037 -0.048 0.000 0.623 109 A CB -0.632 18.329 19.000 -0.066 0.000 0.818 109 A HN 0.242 nan 8.150 nan 0.000 0.443 110 V N 0.409 120.311 119.914 -0.019 0.000 2.427 110 V HA -0.228 3.892 4.120 -0.001 0.000 0.248 110 V C 2.531 178.633 176.094 0.013 0.000 1.051 110 V CA 2.195 64.502 62.300 0.011 0.000 1.048 110 V CB -0.584 31.272 31.823 0.056 0.000 0.666 110 V HN 0.667 nan 8.190 nan 0.000 0.456 111 K N 0.466 120.863 120.400 -0.006 0.000 2.057 111 K HA -0.196 4.123 4.320 -0.001 0.000 0.207 111 K C 1.832 178.436 176.600 0.007 0.000 1.049 111 K CA 1.662 57.949 56.287 -0.000 0.000 0.931 111 K CB -0.182 32.309 32.500 -0.016 0.000 0.714 111 K HN 0.428 nan 8.250 nan 0.000 0.440 112 N N 1.145 119.844 118.700 -0.002 0.000 2.459 112 N HA -0.129 4.610 4.740 -0.001 0.000 0.181 112 N C 1.492 177.015 175.510 0.021 0.000 1.046 112 N CA 0.527 53.578 53.050 0.002 0.000 0.904 112 N CB -0.040 38.439 38.487 -0.014 0.000 0.964 112 N HN 0.170 nan 8.380 nan 0.000 0.444 113 L N 0.934 122.175 121.223 0.030 0.000 2.509 113 L HA 0.072 4.412 4.340 -0.001 0.000 0.222 113 L C 2.127 179.064 176.870 0.111 0.000 1.123 113 L CA 0.843 55.728 54.840 0.075 0.000 0.856 113 L CB -0.329 41.768 42.059 0.064 0.000 0.985 113 L HN -0.087 nan 8.230 nan 0.000 0.456 114 Q N 0.804 120.646 119.800 0.069 0.000 2.062 114 Q HA -0.191 4.149 4.340 -0.001 0.000 0.209 114 Q C -0.618 175.419 176.000 0.062 0.000 0.996 114 Q CA 2.669 58.508 55.803 0.059 0.000 0.859 114 Q CB -1.477 27.285 28.738 0.041 0.000 0.920 114 Q HN 0.281 nan 8.270 nan 0.000 0.415 115 P HA -0.160 nan 4.420 nan 0.000 0.216 115 P C 0.717 178.073 177.300 0.092 0.000 1.150 115 P CA 1.296 64.436 63.100 0.066 0.000 0.837 115 P CB -0.290 31.450 31.700 0.066 0.000 0.786 116 Y N -0.246 120.065 120.300 0.019 0.000 2.263 116 Y HA -0.131 4.419 4.550 0.000 0.000 0.292 116 Y C 2.004 177.927 175.900 0.039 0.000 1.130 116 Y CA 1.032 59.151 58.100 0.031 0.000 1.179 116 Y CB -0.392 38.087 38.460 0.032 0.000 0.998 116 Y HN -0.224 nan 8.280 nan 0.000 0.532 117 I N 0.527 121.072 120.570 -0.041 0.000 2.226 117 I HA -0.273 3.897 4.170 -0.001 0.000 0.245 117 I C 2.304 178.344 176.117 -0.128 0.000 1.100 117 I CA 1.445 62.679 61.300 -0.111 0.000 1.374 117 I CB -1.444 36.557 38.000 0.002 0.000 1.057 117 I HN 0.334 nan 8.210 nan 0.000 0.413 118 Q N 1.197 120.959 119.800 -0.064 0.000 2.050 118 Q HA -0.202 4.138 4.340 -0.001 0.000 0.202 118 Q C 2.447 178.401 176.000 -0.077 0.000 0.980 118 Q CA 1.710 57.483 55.803 -0.050 0.000 0.840 118 Q CB -0.367 28.360 28.738 -0.018 0.000 0.898 118 Q HN 0.218 nan 8.270 nan 0.000 0.424 119 R N -0.723 119.719 120.500 -0.096 0.000 2.091 119 R HA -0.120 4.220 4.340 -0.001 0.000 0.238 119 R C 1.887 178.109 176.300 -0.129 0.000 1.136 119 R CA 1.929 57.974 56.100 -0.091 0.000 0.959 119 R CB -0.576 29.689 30.300 -0.058 0.000 0.856 119 R HN 0.368 nan 8.270 nan 0.000 0.437 120 T N 0.629 115.024 114.554 -0.266 0.000 2.746 120 T HA -0.095 4.255 4.350 -0.001 0.000 0.267 120 T C 1.905 176.551 174.700 -0.090 0.000 1.039 120 T CA 1.494 63.466 62.100 -0.213 0.000 1.142 120 T CB -0.175 68.470 68.868 -0.371 0.000 0.866 120 T HN 0.037 nan 8.240 nan 0.000 0.444 121 V N 1.939 121.800 119.914 -0.088 0.000 2.307 121 V HA -0.155 3.964 4.120 -0.001 0.000 0.245 121 V C 2.390 178.517 176.094 0.054 0.000 1.045 121 V CA 1.698 64.011 62.300 0.021 0.000 1.024 121 V CB -0.582 31.253 31.823 0.021 0.000 0.651 121 V HN 0.398 nan 8.190 nan 0.000 0.449 122 D N 0.210 120.598 120.400 -0.020 0.000 2.116 122 D HA -0.182 4.457 4.640 -0.001 0.000 0.193 122 D C 1.920 178.202 176.300 -0.029 0.000 0.998 122 D CA 1.610 55.580 54.000 -0.049 0.000 0.836 122 D CB -0.386 40.381 40.800 -0.054 0.000 0.951 122 D HN 0.410 nan 8.370 nan 0.000 0.449 123 D N 0.044 120.445 120.400 0.001 0.000 2.117 123 D HA -0.074 4.566 4.640 -0.001 0.000 0.197 123 D C 2.361 178.697 176.300 0.061 0.000 0.987 123 D CA 0.353 54.372 54.000 0.032 0.000 0.829 123 D CB -0.312 40.522 40.800 0.057 0.000 0.961 123 D HN 0.228 nan 8.370 nan 0.000 0.460 124 L N 0.111 121.390 121.223 0.093 0.000 2.093 124 L HA -0.102 4.237 4.340 -0.001 0.000 0.208 124 L C 2.479 179.421 176.870 0.121 0.000 1.085 124 L CA 0.573 55.498 54.840 0.141 0.000 0.755 124 L CB -0.262 41.904 42.059 0.179 0.000 0.904 124 L HN 0.040 nan 8.230 nan 0.000 0.435 125 L N -0.535 120.717 121.223 0.049 0.000 2.093 125 L HA -0.184 4.155 4.340 -0.001 0.000 0.208 125 L C 2.611 179.430 176.870 -0.085 0.000 1.085 125 L CA 0.837 55.606 54.840 -0.117 0.000 0.755 125 L CB -0.389 41.471 42.059 -0.331 0.000 0.904 125 L HN 0.233 nan 8.230 nan 0.000 0.435 126 E N 0.504 120.662 120.200 -0.070 0.000 2.110 126 E HA -0.243 4.106 4.350 -0.001 0.000 0.193 126 E C 2.153 178.768 176.600 0.025 0.000 0.988 126 E CA 1.476 57.850 56.400 -0.042 0.000 0.804 126 E CB -0.059 29.622 29.700 -0.032 0.000 0.745 126 E HN 0.409 nan 8.360 nan 0.000 0.458 127 Q N -0.681 119.146 119.800 0.045 0.000 2.170 127 Q HA -0.110 4.230 4.340 -0.001 0.000 0.203 127 Q C 2.281 178.327 176.000 0.076 0.000 0.976 127 Q CA 1.547 57.389 55.803 0.066 0.000 0.858 127 Q CB -0.130 28.655 28.738 0.079 0.000 0.907 127 Q HN 0.408 nan 8.270 nan 0.000 0.433 128 M N 0.286 119.927 119.600 0.069 0.000 2.132 128 M HA -0.177 4.302 4.480 -0.001 0.000 0.263 128 M C 2.267 178.625 176.300 0.097 0.000 1.065 128 M CA 1.324 56.652 55.300 0.046 0.000 1.122 128 M CB -0.184 32.354 32.600 -0.104 0.000 1.365 128 M HN 0.035 nan 8.290 nan 0.000 0.411 129 K N 0.411 120.910 120.400 0.165 0.000 2.057 129 K HA -0.206 4.113 4.320 -0.001 0.000 0.207 129 K C 1.885 178.595 176.600 0.183 0.000 1.049 129 K CA 1.538 57.966 56.287 0.235 0.000 0.931 129 K CB 0.011 32.615 32.500 0.173 0.000 0.714 129 K HN 0.420 nan 8.250 nan 0.000 0.440 130 Q N 0.011 119.882 119.800 0.119 0.000 2.123 130 Q HA -0.107 4.232 4.340 -0.001 0.000 0.199 130 Q C 1.951 178.008 176.000 0.095 0.000 0.966 130 Q CA 1.170 57.028 55.803 0.092 0.000 0.845 130 Q CB 0.098 28.875 28.738 0.065 0.000 0.907 130 Q HN 0.235 nan 8.270 nan 0.000 0.439 131 K N -0.050 120.414 120.400 0.107 0.000 2.217 131 K HA -0.017 4.303 4.320 -0.001 0.000 0.202 131 K C 0.789 177.450 176.600 0.100 0.000 1.051 131 K CA 0.538 56.880 56.287 0.091 0.000 0.952 131 K CB 0.006 32.559 32.500 0.089 0.000 0.736 131 K HN 0.295 nan 8.250 nan 0.000 0.453 132 G N 0.211 109.119 108.800 0.181 0.000 2.749 132 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.242 132 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.242 132 G C 0.246 175.124 174.900 -0.036 0.000 1.364 132 G CA -0.159 45.031 45.100 0.150 0.000 0.888 132 G HN 0.498 nan 8.290 nan 0.000 0.566 133 C N -2.890 116.243 119.300 -0.279 0.000 3.543 133 C HA 0.840 5.300 4.460 -0.001 0.000 0.281 133 C C 2.122 176.952 174.990 -0.267 0.000 2.362 133 C CA 0.336 59.123 59.018 -0.386 0.000 1.649 133 C CB -0.264 26.973 27.740 -0.839 0.000 3.429 133 C HN 2.163 nan 8.230 nan 0.000 0.407 134 A N 2.173 124.895 122.820 -0.163 0.000 1.933 134 A HA -0.084 4.236 4.320 -0.001 0.000 0.218 134 A C 1.786 179.313 177.584 -0.095 0.000 1.175 134 A CA 1.785 53.754 52.037 -0.114 0.000 0.628 134 A CB -0.420 18.540 19.000 -0.066 0.000 0.814 134 A HN 0.706 nan 8.150 nan 0.000 0.444 135 N N -0.023 118.626 118.700 -0.085 0.000 2.314 135 N HA 0.312 5.051 4.740 -0.001 0.000 0.200 135 N C 0.574 176.038 175.510 -0.077 0.000 1.135 135 N CA 1.016 54.026 53.050 -0.066 0.000 0.835 135 N CB 0.527 38.987 38.487 -0.046 0.000 0.989 135 N HN 0.626 nan 8.380 nan 0.000 0.478 136 G N 1.228 109.962 108.800 -0.109 0.000 2.355 136 G HA2 -0.081 3.879 3.960 -0.001 0.000 0.619 136 G HA3 -0.081 3.879 3.960 -0.001 0.000 0.619 136 G C -3.220 171.591 174.900 -0.148 0.000 1.337 136 G CA -1.045 43.989 45.100 -0.111 0.000 0.993 136 G HN -0.097 nan 8.290 nan 0.000 0.599 137 P HA 0.500 nan 4.420 nan 0.000 0.272 137 P C 0.271 177.511 177.300 -0.099 0.000 1.240 137 P CA 0.033 63.044 63.100 -0.147 0.000 0.791 137 P CB 1.399 33.035 31.700 -0.108 0.000 0.978 138 V N -2.552 117.316 119.914 -0.076 0.000 2.919 138 V HA 0.499 4.619 4.120 -0.001 0.000 0.316 138 V C -0.233 175.857 176.094 -0.007 0.000 1.077 138 V CA -1.043 61.245 62.300 -0.021 0.000 0.977 138 V CB 1.550 33.391 31.823 0.030 0.000 1.039 138 V HN 0.384 nan 8.190 nan 0.000 0.441 139 D N 1.894 122.294 120.400 -0.001 0.000 2.336 139 D HA 0.172 4.812 4.640 -0.001 0.000 0.249 139 D C 0.642 176.952 176.300 0.016 0.000 1.213 139 D CA -0.243 53.756 54.000 -0.002 0.000 0.870 139 D CB 1.317 42.112 40.800 -0.008 0.000 1.076 139 D HN 0.638 nan 8.370 nan 0.000 0.483 140 L N 4.946 126.182 121.223 0.021 0.000 2.191 140 L HA -0.122 4.218 4.340 -0.001 0.000 0.212 140 L C 1.729 178.644 176.870 0.075 0.000 1.103 140 L CA 1.367 56.238 54.840 0.053 0.000 0.769 140 L CB -0.146 41.941 42.059 0.047 0.000 0.908 140 L HN 0.411 nan 8.230 nan 0.000 0.438 141 V N -0.184 119.745 119.914 0.025 0.000 2.229 141 V HA -0.306 3.813 4.120 -0.001 0.000 0.243 141 V C 2.571 178.649 176.094 -0.028 0.000 1.042 141 V CA 2.163 64.459 62.300 -0.006 0.000 1.000 141 V CB -0.716 31.091 31.823 -0.026 0.000 0.637 141 V HN 0.507 nan 8.190 nan 0.000 0.446 142 K N -0.116 120.271 120.400 -0.022 0.000 2.063 142 K HA -0.218 4.101 4.320 -0.001 0.000 0.208 142 K C 1.962 178.545 176.600 -0.029 0.000 1.048 142 K CA 1.746 58.014 56.287 -0.031 0.000 0.928 142 K CB -0.064 32.428 32.500 -0.014 0.000 0.713 142 K HN 0.448 nan 8.250 nan 0.000 0.442 143 E N -1.143 119.065 120.200 0.013 0.000 2.435 143 E HA -0.064 4.286 4.350 -0.001 0.000 0.195 143 E C 1.036 177.697 176.600 0.102 0.000 1.029 143 E CA 0.597 57.022 56.400 0.042 0.000 0.865 143 E CB 0.217 29.953 29.700 0.059 0.000 0.833 143 E HN 0.341 nan 8.360 nan 0.000 0.510 144 F N -0.224 119.649 119.950 -0.127 0.000 1.975 144 F HA 0.342 4.870 4.527 0.002 0.000 0.259 144 F C 1.915 177.606 175.800 -0.181 0.000 1.011 144 F CA 0.708 58.614 58.000 -0.157 0.000 1.196 144 F CB -0.497 38.425 39.000 -0.129 0.000 1.427 144 F HN -0.119 nan 8.300 nan 0.000 0.669 145 A N 0.920 123.652 122.820 -0.145 0.000 1.940 145 A HA -0.132 4.187 4.320 -0.001 0.000 0.219 145 A C 1.951 179.364 177.584 -0.286 0.000 1.176 145 A CA 2.115 54.008 52.037 -0.241 0.000 0.631 145 A CB -1.057 17.910 19.000 -0.054 0.000 0.814 145 A HN 0.516 nan 8.150 nan 0.000 0.446 146 L N 0.513 121.588 121.223 -0.246 0.000 2.049 146 L HA 0.038 4.378 4.340 -0.001 0.000 0.203 146 L C -0.691 175.924 176.870 -0.425 0.000 1.074 146 L CA 2.197 56.877 54.840 -0.266 0.000 0.749 146 L CB -1.021 40.924 42.059 -0.190 0.000 0.907 146 L HN 0.202 nan 8.230 nan 0.000 0.439 147 P HA -0.091 nan 4.420 nan 0.000 0.221 147 P C 1.939 178.659 177.300 -0.965 0.000 1.150 147 P CA 1.130 63.629 63.100 -1.003 0.000 0.800 147 P CB 0.083 31.104 31.700 -1.130 0.000 0.787 148 V N 2.897 122.386 119.914 -0.709 0.000 2.220 148 V HA -0.141 3.978 4.120 -0.001 0.000 0.246 148 V C 0.143 176.001 176.094 -0.394 0.000 1.049 148 V CA 3.146 65.100 62.300 -0.576 0.000 1.003 148 V CB -2.445 28.962 31.823 -0.695 0.000 0.634 148 V HN 0.210 nan 8.190 nan 0.000 0.444 149 P HA -0.055 nan 4.420 nan 0.000 0.218 149 P C 1.832 178.979 177.300 -0.255 0.000 1.152 149 P CA 1.494 64.470 63.100 -0.207 0.000 0.826 149 P CB -0.016 31.597 31.700 -0.145 0.000 0.790 150 S N -0.379 115.067 115.700 -0.422 0.000 2.353 150 S HA -0.174 4.295 4.470 -0.001 0.000 0.222 150 S C 2.028 176.144 174.600 -0.806 0.000 1.035 150 S CA 1.232 59.019 58.200 -0.689 0.000 1.025 150 S CB -1.261 61.488 63.200 -0.752 0.000 0.902 150 S HN 0.076 nan 8.310 nan 0.000 0.440 151 Y N 1.499 121.325 120.300 -0.790 0.000 2.224 151 Y HA -0.007 4.543 4.550 0.000 0.000 0.289 151 Y C 2.158 177.940 175.900 -0.195 0.000 1.146 151 Y CA -0.195 57.397 58.100 -0.846 0.000 1.182 151 Y CB -1.076 36.895 38.460 -0.815 0.000 0.983 151 Y HN 0.244 nan 8.280 nan 0.000 0.524 152 I N -0.990 119.625 120.570 0.075 0.000 2.163 152 I HA -0.272 3.897 4.170 -0.001 0.000 0.240 152 I C 2.324 178.576 176.117 0.226 0.000 1.081 152 I CA 1.208 62.655 61.300 0.245 0.000 1.353 152 I CB -0.431 37.651 38.000 0.137 0.000 1.054 152 I HN 0.060 nan 8.210 nan 0.000 0.407 153 I N 0.032 120.688 120.570 0.144 0.000 2.394 153 I HA -0.291 3.878 4.170 -0.001 0.000 0.251 153 I C 2.302 178.629 176.117 0.350 0.000 1.136 153 I CA 1.621 63.050 61.300 0.215 0.000 1.425 153 I CB -0.338 37.779 38.000 0.194 0.000 1.079 153 I HN 0.161 nan 8.210 nan 0.000 0.425 154 Y N -0.374 120.038 120.300 0.187 0.000 2.181 154 Y HA -0.276 4.274 4.550 0.000 0.000 0.288 154 Y C 2.547 178.613 175.900 0.277 0.000 1.146 154 Y CA 1.144 59.392 58.100 0.247 0.000 1.164 154 Y CB -0.523 38.126 38.460 0.314 0.000 0.982 154 Y HN 0.131 nan 8.280 nan 0.000 0.515 155 T N 0.728 115.578 114.554 0.493 0.000 2.777 155 T HA -0.136 4.214 4.350 -0.001 0.000 0.266 155 T C 1.901 176.661 174.700 0.101 0.000 1.040 155 T CA 0.989 63.250 62.100 0.269 0.000 1.141 155 T CB -0.386 68.601 68.868 0.198 0.000 0.868 155 T HN 0.229 nan 8.240 nan 0.000 0.444 156 L N 0.222 121.511 121.223 0.111 0.000 2.056 156 L HA 0.013 4.353 4.340 -0.001 0.000 0.207 156 L C 2.435 179.340 176.870 0.059 0.000 1.078 156 L CA 1.081 55.938 54.840 0.028 0.000 0.749 156 L CB -0.480 41.578 42.059 -0.002 0.000 0.901 156 L HN 0.246 nan 8.230 nan 0.000 0.433 157 L N -0.689 120.614 121.223 0.133 0.000 2.095 157 L HA 0.010 4.350 4.340 -0.001 0.000 0.204 157 L C 1.305 178.230 176.870 0.093 0.000 1.080 157 L CA 1.068 55.986 54.840 0.130 0.000 0.759 157 L CB -0.327 41.837 42.059 0.174 0.000 0.914 157 L HN 0.522 nan 8.230 nan 0.000 0.439 158 G N -0.267 108.595 108.800 0.103 0.000 2.186 158 G HA2 -0.153 3.807 3.960 -0.001 0.000 0.130 158 G HA3 -0.153 3.807 3.960 -0.001 0.000 0.130 158 G C -0.327 174.610 174.900 0.062 0.000 1.031 158 G CA -0.358 44.778 45.100 0.059 0.000 0.697 158 G HN 0.026 nan 8.290 nan 0.000 0.494 159 V N 2.155 122.133 119.914 0.107 0.000 2.481 159 V HA 0.607 4.726 4.120 -0.001 0.000 0.286 159 V C -1.443 174.724 176.094 0.123 0.000 1.042 159 V CA -1.595 60.732 62.300 0.046 0.000 0.928 159 V CB 1.839 33.548 31.823 -0.189 0.000 0.986 159 V HN 0.269 nan 8.190 nan 0.000 0.462 160 P HA 0.181 nan 4.420 nan 0.000 0.282 160 P C 0.481 177.989 177.300 0.347 0.000 1.262 160 P CA -0.209 62.985 63.100 0.156 0.000 0.773 160 P CB 0.750 32.507 31.700 0.094 0.000 0.879 161 F N 2.421 122.444 119.950 0.121 0.000 2.192 161 F HA -0.180 4.347 4.527 -0.000 0.000 0.301 161 F C 2.011 177.923 175.800 0.187 0.000 1.079 161 F CA 0.994 59.094 58.000 0.167 0.000 1.303 161 F CB -1.858 37.037 39.000 -0.175 0.000 1.024 161 F HN 0.437 nan 8.300 nan 0.000 0.494 162 N N -0.163 118.720 118.700 0.305 0.000 2.272 162 N HA -0.168 4.572 4.740 -0.001 0.000 0.185 162 N C 0.611 176.246 175.510 0.207 0.000 1.014 162 N CA 1.020 54.197 53.050 0.212 0.000 0.870 162 N CB -0.163 38.405 38.487 0.134 0.000 0.975 162 N HN 0.195 nan 8.380 nan 0.000 0.433 163 D N 0.472 121.004 120.400 0.219 0.000 2.319 163 D HA -0.004 4.635 4.640 -0.001 0.000 0.230 163 D C 1.610 178.037 176.300 0.212 0.000 1.094 163 D CA -0.113 53.994 54.000 0.179 0.000 0.856 163 D CB 0.086 40.958 40.800 0.119 0.000 0.915 163 D HN 0.191 nan 8.370 nan 0.000 0.517 164 L N 1.226 122.651 121.223 0.337 0.000 1.990 164 L HA -0.241 4.099 4.340 -0.001 0.000 0.213 164 L C 1.731 178.714 176.870 0.188 0.000 1.072 164 L CA 2.024 57.084 54.840 0.367 0.000 0.755 164 L CB -0.257 41.995 42.059 0.322 0.000 0.889 164 L HN -0.196 nan 8.230 nan 0.000 0.432 165 E N -1.367 118.927 120.200 0.156 0.000 2.051 165 E HA -0.257 4.093 4.350 -0.001 0.000 0.192 165 E C 2.000 178.660 176.600 0.101 0.000 0.991 165 E CA 1.846 58.309 56.400 0.106 0.000 0.799 165 E CB -0.657 29.107 29.700 0.107 0.000 0.748 165 E HN 0.661 nan 8.360 nan 0.000 0.449 166 Y N 0.956 121.256 120.300 0.001 0.000 2.114 166 Y HA -0.163 4.387 4.550 -0.001 0.000 0.284 166 Y C 1.817 177.667 175.900 -0.083 0.000 1.143 166 Y CA 1.532 59.607 58.100 -0.042 0.000 1.135 166 Y CB -0.332 38.089 38.460 -0.065 0.000 0.980 166 Y HN -0.029 nan 8.280 nan 0.000 0.499 167 L N -0.984 120.111 121.223 -0.213 0.000 2.083 167 L HA -0.224 4.116 4.340 -0.001 0.000 0.209 167 L C 2.297 179.052 176.870 -0.191 0.000 1.083 167 L CA 1.780 56.428 54.840 -0.320 0.000 0.752 167 L CB -0.977 40.956 42.059 -0.211 0.000 0.899 167 L HN 0.211 nan 8.230 nan 0.000 0.433 168 T N -1.067 113.443 114.554 -0.073 0.000 2.777 168 T HA -0.258 4.091 4.350 -0.001 0.000 0.266 168 T C 1.836 176.478 174.700 -0.096 0.000 1.040 168 T CA 1.447 63.511 62.100 -0.059 0.000 1.141 168 T CB -0.146 68.707 68.868 -0.025 0.000 0.868 168 T HN 0.373 nan 8.240 nan 0.000 0.444 169 Q N 0.364 120.097 119.800 -0.110 0.000 2.050 169 Q HA -0.190 4.149 4.340 -0.001 0.000 0.202 169 Q C 2.342 178.251 176.000 -0.152 0.000 0.980 169 Q CA 1.216 56.956 55.803 -0.106 0.000 0.840 169 Q CB -0.055 28.638 28.738 -0.074 0.000 0.898 169 Q HN 0.358 nan 8.270 nan 0.000 0.424 170 Q N 0.526 120.160 119.800 -0.277 0.000 2.084 170 Q HA -0.146 4.194 4.340 -0.001 0.000 0.202 170 Q C 1.701 177.613 176.000 -0.147 0.000 0.978 170 Q CA 1.488 57.135 55.803 -0.259 0.000 0.844 170 Q CB -0.628 27.840 28.738 -0.450 0.000 0.898 170 Q HN 0.557 nan 8.270 nan 0.000 0.426 171 N N -0.041 118.571 118.700 -0.146 0.000 2.244 171 N HA -0.106 4.634 4.740 -0.001 0.000 0.183 171 N C 1.614 177.083 175.510 -0.069 0.000 1.016 171 N CA 0.874 53.865 53.050 -0.098 0.000 0.866 171 N CB 0.190 38.605 38.487 -0.121 0.000 0.980 171 N HN 0.185 nan 8.380 nan 0.000 0.430 172 A N 1.332 124.109 122.820 -0.073 0.000 1.902 172 A HA -0.082 4.237 4.320 -0.001 0.000 0.217 172 A C 2.139 179.699 177.584 -0.041 0.000 1.181 172 A CA 0.851 52.857 52.037 -0.052 0.000 0.623 172 A CB -0.524 18.446 19.000 -0.050 0.000 0.818 172 A HN 0.309 nan 8.150 nan 0.000 0.443 173 I N -1.125 119.418 120.570 -0.045 0.000 2.252 173 I HA -0.225 3.945 4.170 -0.001 0.000 0.245 173 I C 2.695 178.800 176.117 -0.021 0.000 1.102 173 I CA 1.539 62.821 61.300 -0.031 0.000 1.385 173 I CB -0.303 37.678 38.000 -0.032 0.000 1.064 173 I HN 0.358 nan 8.210 nan 0.000 0.414 174 R N 0.773 121.263 120.500 -0.017 0.000 2.081 174 R HA -0.181 4.159 4.340 -0.001 0.000 0.235 174 R C 2.205 178.506 176.300 0.001 0.000 1.131 174 R CA 2.160 58.264 56.100 0.006 0.000 0.960 174 R CB -0.209 30.113 30.300 0.037 0.000 0.856 174 R HN 0.481 nan 8.270 nan 0.000 0.436 175 T N -2.948 111.599 114.554 -0.011 0.000 3.044 175 T HA 0.032 4.381 4.350 -0.001 0.000 0.250 175 T C 0.632 175.317 174.700 -0.025 0.000 1.081 175 T CA -0.251 61.839 62.100 -0.016 0.000 1.040 175 T CB -0.359 68.497 68.868 -0.020 0.000 0.962 175 T HN 0.236 nan 8.240 nan 0.000 0.506 176 N N 0.830 119.514 118.700 -0.025 0.000 2.447 176 N HA 0.204 4.943 4.740 -0.001 0.000 0.263 176 N C 1.485 176.977 175.510 -0.031 0.000 1.226 176 N CA -0.023 53.011 53.050 -0.027 0.000 0.906 176 N CB 0.500 38.973 38.487 -0.023 0.000 1.060 176 N HN 0.332 nan 8.380 nan 0.000 0.468 177 G N 1.770 110.548 108.800 -0.036 0.000 2.559 177 G HA2 -0.153 3.807 3.960 -0.001 0.000 0.216 177 G HA3 -0.153 3.807 3.960 -0.001 0.000 0.216 177 G C 0.967 175.846 174.900 -0.035 0.000 1.126 177 G CA 0.288 45.361 45.100 -0.045 0.000 0.778 177 G HN 0.570 nan 8.290 nan 0.000 0.543 178 S N 0.211 115.896 115.700 -0.026 0.000 2.548 178 S HA 0.188 4.658 4.470 -0.001 0.000 0.215 178 S C 1.108 175.699 174.600 -0.015 0.000 0.976 178 S CA -0.319 57.870 58.200 -0.018 0.000 0.908 178 S CB 0.342 63.534 63.200 -0.014 0.000 0.781 178 S HN 0.232 nan 8.310 nan 0.000 0.519 179 S N 3.035 118.725 115.700 -0.017 0.000 2.565 179 S HA 0.279 4.749 4.470 -0.001 0.000 0.276 179 S C 0.703 175.296 174.600 -0.011 0.000 1.326 179 S CA -0.587 57.606 58.200 -0.012 0.000 1.045 179 S CB 0.832 64.025 63.200 -0.013 0.000 0.918 179 S HN 0.594 nan 8.310 nan 0.000 0.505 180 T N 0.218 114.769 114.554 -0.005 0.000 2.860 180 T HA 0.427 4.777 4.350 -0.001 0.000 0.299 180 T C 1.500 176.199 174.700 -0.002 0.000 1.045 180 T CA -0.362 61.736 62.100 -0.002 0.000 1.071 180 T CB 0.663 69.532 68.868 0.002 0.000 0.985 180 T HN 0.566 nan 8.240 nan 0.000 0.537 181 A N 1.652 124.472 122.820 0.000 0.000 1.917 181 A HA -0.125 4.194 4.320 -0.001 0.000 0.219 181 A C 2.567 180.154 177.584 0.004 0.000 1.182 181 A CA 1.184 53.222 52.037 0.001 0.000 0.633 181 A CB -0.704 18.300 19.000 0.007 0.000 0.819 181 A HN 0.770 nan 8.150 nan 0.000 0.448 182 R N -0.396 120.108 120.500 0.006 0.000 2.073 182 R HA -0.135 4.204 4.340 -0.001 0.000 0.234 182 R C 2.355 178.660 176.300 0.008 0.000 1.134 182 R CA 1.953 58.058 56.100 0.008 0.000 0.952 182 R CB -0.757 29.549 30.300 0.009 0.000 0.850 182 R HN 0.789 nan 8.270 nan 0.000 0.433 183 Q N -0.613 119.191 119.800 0.006 0.000 2.084 183 Q HA -0.081 4.258 4.340 -0.001 0.000 0.202 183 Q C 2.070 178.073 176.000 0.005 0.000 0.978 183 Q CA 1.791 57.598 55.803 0.006 0.000 0.844 183 Q CB -0.157 28.583 28.738 0.003 0.000 0.898 183 Q HN 0.345 nan 8.270 nan 0.000 0.426 184 A N 0.216 123.038 122.820 0.002 0.000 1.930 184 A HA -0.181 4.139 4.320 -0.001 0.000 0.217 184 A C 2.157 179.747 177.584 0.009 0.000 1.175 184 A CA 1.626 53.665 52.037 0.003 0.000 0.627 184 A CB -0.689 18.310 19.000 -0.002 0.000 0.815 184 A HN 0.312 nan 8.150 nan 0.000 0.443 185 S N -0.304 115.400 115.700 0.007 0.000 2.368 185 S HA -0.033 4.437 4.470 -0.001 0.000 0.225 185 S C 2.176 176.782 174.600 0.011 0.000 1.030 185 S CA 1.561 59.764 58.200 0.005 0.000 0.999 185 S CB -0.458 62.744 63.200 0.003 0.000 0.844 185 S HN 0.798 nan 8.310 nan 0.000 0.459 186 A N 1.193 124.022 122.820 0.015 0.000 1.930 186 A HA 0.242 4.561 4.320 -0.001 0.000 0.217 186 A C 2.435 180.037 177.584 0.030 0.000 1.175 186 A CA 1.774 53.825 52.037 0.024 0.000 0.627 186 A CB -1.274 17.742 19.000 0.026 0.000 0.815 186 A HN 0.745 nan 8.150 nan 0.000 0.443 187 A N 0.202 123.034 122.820 0.020 0.000 1.898 187 A HA -0.197 4.123 4.320 -0.001 0.000 0.216 187 A C 2.067 179.674 177.584 0.039 0.000 1.181 187 A CA 1.815 53.858 52.037 0.010 0.000 0.620 187 A CB -0.646 18.349 19.000 -0.009 0.000 0.819 187 A HN 0.540 nan 8.150 nan 0.000 0.442 188 N N -0.474 118.258 118.700 0.053 0.000 2.104 188 N HA -0.203 4.537 4.740 -0.001 0.000 0.190 188 N C 1.870 177.411 175.510 0.053 0.000 1.024 188 N CA 1.904 55.006 53.050 0.085 0.000 0.853 188 N CB -0.260 38.244 38.487 0.028 0.000 1.008 188 N HN 0.461 nan 8.380 nan 0.000 0.424 189 Q N 1.084 120.901 119.800 0.028 0.000 2.167 189 Q HA 0.014 4.354 4.340 -0.001 0.000 0.202 189 Q C 1.644 177.690 176.000 0.077 0.000 0.970 189 Q CA 1.333 57.153 55.803 0.027 0.000 0.855 189 Q CB -0.153 28.597 28.738 0.020 0.000 0.911 189 Q HN 0.447 nan 8.270 nan 0.000 0.438 190 E N -0.527 119.729 120.200 0.094 0.000 2.150 190 E HA -0.139 4.210 4.350 -0.001 0.000 0.193 190 E C 1.868 178.583 176.600 0.190 0.000 0.985 190 E CA 0.873 57.363 56.400 0.150 0.000 0.814 190 E CB -0.035 29.752 29.700 0.146 0.000 0.752 190 E HN 0.371 nan 8.360 nan 0.000 0.466 191 L N 0.500 121.816 121.223 0.155 0.000 2.056 191 L HA -0.171 4.169 4.340 -0.001 0.000 0.207 191 L C 2.419 179.474 176.870 0.309 0.000 1.078 191 L CA 0.791 55.766 54.840 0.225 0.000 0.749 191 L CB -0.251 41.996 42.059 0.314 0.000 0.901 191 L HN 0.172 nan 8.230 nan 0.000 0.433 192 L N -0.608 120.738 121.223 0.204 0.000 2.056 192 L HA -0.210 4.129 4.340 -0.001 0.000 0.207 192 L C 2.225 179.174 176.870 0.132 0.000 1.078 192 L CA 1.024 55.938 54.840 0.123 0.000 0.749 192 L CB -0.625 41.415 42.059 -0.032 0.000 0.901 192 L HN 0.281 nan 8.230 nan 0.000 0.433 193 D N -0.761 119.719 120.400 0.134 0.000 2.144 193 D HA -0.240 4.400 4.640 -0.001 0.000 0.199 193 D C 1.875 178.264 176.300 0.149 0.000 0.984 193 D CA 1.272 55.342 54.000 0.117 0.000 0.834 193 D CB -0.203 40.664 40.800 0.113 0.000 0.955 193 D HN 0.326 nan 8.370 nan 0.000 0.465 194 Y N 1.325 121.689 120.300 0.106 0.000 2.145 194 Y HA -0.140 4.410 4.550 -0.000 0.000 0.286 194 Y C 2.173 178.121 175.900 0.080 0.000 1.145 194 Y CA 1.368 59.534 58.100 0.111 0.000 1.148 194 Y CB -0.325 38.245 38.460 0.183 0.000 0.981 194 Y HN -0.104 nan 8.280 nan 0.000 0.507 195 L N -0.315 121.038 121.223 0.216 0.000 2.217 195 L HA -0.133 4.206 4.340 -0.001 0.000 0.211 195 L C 2.743 179.624 176.870 0.018 0.000 1.107 195 L CA 0.824 55.730 54.840 0.110 0.000 0.783 195 L CB -0.866 41.330 42.059 0.227 0.000 0.919 195 L HN 0.352 nan 8.230 nan 0.000 0.442 196 A N 0.496 123.334 122.820 0.030 0.000 1.902 196 A HA -0.181 4.138 4.320 -0.001 0.000 0.217 196 A C 2.161 179.724 177.584 -0.034 0.000 1.181 196 A CA 1.318 53.358 52.037 0.006 0.000 0.623 196 A CB -0.427 18.582 19.000 0.015 0.000 0.818 196 A HN 0.246 nan 8.150 nan 0.000 0.443 197 I N -0.201 120.325 120.570 -0.073 0.000 2.226 197 I HA -0.184 3.986 4.170 -0.001 0.000 0.245 197 I C 2.448 178.488 176.117 -0.128 0.000 1.100 197 I CA 0.989 62.226 61.300 -0.106 0.000 1.374 197 I CB -1.159 36.751 38.000 -0.151 0.000 1.057 197 I HN 0.262 nan 8.210 nan 0.000 0.413 198 L N 0.653 121.767 121.223 -0.181 0.000 2.046 198 L HA -0.142 4.198 4.340 -0.001 0.000 0.208 198 L C 2.613 179.440 176.870 -0.070 0.000 1.077 198 L CA 1.599 56.349 54.840 -0.151 0.000 0.747 198 L CB -0.689 41.263 42.059 -0.179 0.000 0.896 198 L HN 0.031 nan 8.230 nan 0.000 0.432 199 V N 0.012 119.901 119.914 -0.041 0.000 2.407 199 V HA -0.228 3.891 4.120 -0.001 0.000 0.248 199 V C 2.605 178.688 176.094 -0.018 0.000 1.055 199 V CA 1.407 63.700 62.300 -0.013 0.000 1.049 199 V CB -0.437 31.391 31.823 0.008 0.000 0.662 199 V HN 0.431 nan 8.190 nan 0.000 0.455 200 E N -0.140 120.044 120.200 -0.028 0.000 2.106 200 E HA -0.230 4.120 4.350 -0.001 0.000 0.192 200 E C 2.282 178.864 176.600 -0.029 0.000 0.984 200 E CA 1.154 57.539 56.400 -0.025 0.000 0.806 200 E CB -0.168 29.515 29.700 -0.028 0.000 0.750 200 E HN 0.702 nan 8.360 nan 0.000 0.458 201 Q N 0.098 119.873 119.800 -0.041 0.000 2.119 201 Q HA -0.081 4.259 4.340 -0.001 0.000 0.201 201 Q C 2.089 178.070 176.000 -0.031 0.000 0.972 201 Q CA 0.822 56.601 55.803 -0.041 0.000 0.847 201 Q CB 0.035 28.740 28.738 -0.056 0.000 0.903 201 Q HN 0.030 nan 8.270 nan 0.000 0.433 202 R N 0.453 120.937 120.500 -0.027 0.000 2.148 202 R HA 0.014 4.353 4.340 -0.001 0.000 0.223 202 R C 2.094 178.386 176.300 -0.014 0.000 1.088 202 R CA 0.657 56.745 56.100 -0.019 0.000 0.985 202 R CB -0.506 29.786 30.300 -0.013 0.000 0.880 202 R HN 0.314 nan 8.270 nan 0.000 0.451 203 L N 0.087 121.302 121.223 -0.013 0.000 2.141 203 L HA -0.093 4.246 4.340 -0.001 0.000 0.209 203 L C 2.151 179.014 176.870 -0.011 0.000 1.094 203 L CA 0.758 55.593 54.840 -0.009 0.000 0.763 203 L CB -0.200 41.855 42.059 -0.007 0.000 0.908 203 L HN -0.086 nan 8.230 nan 0.000 0.437 204 V N -1.204 118.701 119.914 -0.015 0.000 2.446 204 V HA -0.082 4.038 4.120 -0.001 0.000 0.244 204 V C 0.923 177.007 176.094 -0.016 0.000 1.039 204 V CA 0.906 63.197 62.300 -0.015 0.000 1.045 204 V CB 0.012 31.825 31.823 -0.018 0.000 0.681 204 V HN 0.324 nan 8.190 nan 0.000 0.459 205 E N 0.436 120.625 120.200 -0.019 0.000 2.580 205 E HA 0.298 4.648 4.350 -0.001 0.000 0.248 205 E C -2.825 173.763 176.600 -0.021 0.000 1.018 205 E CA -1.887 54.501 56.400 -0.020 0.000 0.775 205 E CB 1.971 31.657 29.700 -0.022 0.000 1.378 205 E HN 0.269 nan 8.360 nan 0.000 0.401 206 P HA 0.127 nan 4.420 nan 0.000 0.272 206 P C -0.728 176.559 177.300 -0.022 0.000 1.223 206 P CA -0.076 63.013 63.100 -0.018 0.000 0.784 206 P CB 0.968 32.659 31.700 -0.015 0.000 0.923 207 K N 0.551 120.938 120.400 -0.023 0.000 2.208 207 K HA 0.335 4.655 4.320 -0.001 0.000 0.241 207 K C -0.771 175.811 176.600 -0.029 0.000 1.087 207 K CA -0.652 55.617 56.287 -0.029 0.000 0.883 207 K CB 0.674 33.154 32.500 -0.033 0.000 1.360 207 K HN 0.221 nan 8.250 nan 0.000 0.496 208 D N 1.876 122.254 120.400 -0.038 0.000 2.639 208 D HA 0.124 4.763 4.640 -0.001 0.000 0.233 208 D C -1.546 174.727 176.300 -0.044 0.000 1.161 208 D CA -0.173 53.802 54.000 -0.041 0.000 1.003 208 D CB -0.238 40.533 40.800 -0.049 0.000 1.034 208 D HN 0.423 nan 8.370 nan 0.000 0.514 209 D N 0.067 120.450 120.400 -0.029 0.000 2.579 209 D HA 0.177 4.816 4.640 -0.001 0.000 0.257 209 D C 1.172 177.471 176.300 -0.002 0.000 1.176 209 D CA -0.747 53.242 54.000 -0.019 0.000 0.914 209 D CB 0.549 41.345 40.800 -0.006 0.000 1.431 209 D HN -0.156 nan 8.370 nan 0.000 0.454 210 I N 0.228 120.807 120.570 0.015 0.000 2.151 210 I HA -0.212 3.958 4.170 -0.001 0.000 0.243 210 I C 2.072 178.220 176.117 0.051 0.000 1.080 210 I CA 0.945 62.270 61.300 0.042 0.000 1.339 210 I CB -1.037 37.017 38.000 0.089 0.000 1.039 210 I HN 0.496 nan 8.210 nan 0.000 0.409 211 I N 0.780 121.383 120.570 0.054 0.000 2.208 211 I HA -0.246 3.924 4.170 -0.001 0.000 0.245 211 I C 2.699 178.833 176.117 0.028 0.000 1.097 211 I CA 1.324 62.653 61.300 0.049 0.000 1.363 211 I CB -1.485 36.540 38.000 0.043 0.000 1.051 211 I HN 0.174 nan 8.210 nan 0.000 0.413 212 S N 0.469 116.177 115.700 0.014 0.000 2.382 212 S HA -0.161 4.309 4.470 -0.001 0.000 0.228 212 S C 1.937 176.539 174.600 0.003 0.000 1.027 212 S CA 1.145 59.347 58.200 0.002 0.000 0.991 212 S CB -0.107 63.088 63.200 -0.008 0.000 0.823 212 S HN 0.453 nan 8.310 nan 0.000 0.469 213 K N 0.906 121.309 120.400 0.005 0.000 2.057 213 K HA 0.044 4.364 4.320 -0.001 0.000 0.206 213 K C 1.997 178.601 176.600 0.008 0.000 1.050 213 K CA 0.881 57.169 56.287 0.002 0.000 0.935 213 K CB -0.340 32.160 32.500 -0.001 0.000 0.715 213 K HN 0.284 nan 8.250 nan 0.000 0.439 214 L N 0.574 121.810 121.223 0.021 0.000 2.079 214 L HA -0.278 4.061 4.340 -0.001 0.000 0.210 214 L C 2.609 179.490 176.870 0.018 0.000 1.081 214 L CA 1.003 55.859 54.840 0.026 0.000 0.752 214 L CB -0.538 41.550 42.059 0.048 0.000 0.896 214 L HN 0.333 nan 8.230 nan 0.000 0.433 215 C N -0.817 118.492 119.300 0.015 0.000 2.462 215 C HA -0.146 4.313 4.460 -0.001 0.000 0.278 215 C C 2.914 177.907 174.990 0.005 0.000 1.253 215 C CA 1.484 60.508 59.018 0.010 0.000 1.713 215 C CB -0.833 26.910 27.740 0.005 0.000 2.049 215 C HN 0.518 nan 8.230 nan 0.000 0.477 216 T N 0.445 114.999 114.554 0.001 0.000 2.942 216 T HA -0.090 4.260 4.350 -0.001 0.000 0.265 216 T C 1.520 176.218 174.700 -0.003 0.000 1.062 216 T CA 1.169 63.268 62.100 -0.003 0.000 1.139 216 T CB -0.237 68.628 68.868 -0.006 0.000 0.883 216 T HN 0.664 nan 8.240 nan 0.000 0.468 217 E N 0.221 120.419 120.200 -0.004 0.000 2.340 217 E HA 0.059 4.409 4.350 -0.001 0.000 0.194 217 E C 1.989 178.585 176.600 -0.006 0.000 0.996 217 E CA 0.462 56.858 56.400 -0.007 0.000 0.869 217 E CB 0.246 29.938 29.700 -0.014 0.000 0.835 217 E HN 0.311 nan 8.360 nan 0.000 0.493 218 Q N -0.398 119.401 119.800 -0.001 0.000 2.534 218 Q HA 0.100 4.439 4.340 -0.001 0.000 0.252 218 Q C 2.329 178.337 176.000 0.014 0.000 0.850 218 Q CA 0.390 56.195 55.803 0.003 0.000 0.974 218 Q CB 0.224 28.962 28.738 -0.001 0.000 1.205 218 Q HN 0.084 nan 8.270 nan 0.000 0.593 219 V N 2.312 122.234 119.914 0.014 0.000 2.255 219 V HA -0.186 3.934 4.120 -0.001 0.000 0.243 219 V C 2.228 178.329 176.094 0.012 0.000 1.038 219 V CA 1.815 64.124 62.300 0.016 0.000 1.008 219 V CB -0.468 31.364 31.823 0.015 0.000 0.645 219 V HN 0.273 nan 8.190 nan 0.000 0.449 220 K N 0.106 120.511 120.400 0.008 0.000 2.063 220 K HA -0.160 4.160 4.320 -0.001 0.000 0.208 220 K C -0.044 176.560 176.600 0.007 0.000 1.048 220 K CA 1.832 58.122 56.287 0.006 0.000 0.928 220 K CB -1.275 31.226 32.500 0.002 0.000 0.713 220 K HN 0.453 nan 8.250 nan 0.000 0.442 221 P HA 0.016 nan 4.420 nan 0.000 0.237 221 P C 0.197 177.507 177.300 0.016 0.000 1.178 221 P CA 0.901 64.008 63.100 0.010 0.000 0.766 221 P CB 0.312 32.018 31.700 0.010 0.000 0.876 222 G N -0.104 108.706 108.800 0.018 0.000 2.149 222 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.235 222 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.235 222 G C 0.917 175.837 174.900 0.033 0.000 1.018 222 G CA 0.104 45.217 45.100 0.022 0.000 0.728 222 G HN 0.238 nan 8.290 nan 0.000 0.508 223 N N -0.244 118.480 118.700 0.039 0.000 2.368 223 N HA 0.176 4.915 4.740 -0.001 0.000 0.176 223 N C 1.291 176.845 175.510 0.072 0.000 1.021 223 N CA 1.515 54.602 53.050 0.063 0.000 0.888 223 N CB 0.307 38.827 38.487 0.056 0.000 0.995 223 N HN 0.971 nan 8.380 nan 0.000 0.437 224 I N -2.480 118.120 120.570 0.050 0.000 3.095 224 I HA 0.417 4.586 4.170 -0.001 0.000 0.310 224 I C -1.170 174.969 176.117 0.037 0.000 1.196 224 I CA -1.103 60.228 61.300 0.052 0.000 0.985 224 I CB 2.489 40.520 38.000 0.052 0.000 1.250 224 I HN -0.245 nan 8.210 nan 0.000 0.446 225 D N 3.066 123.487 120.400 0.035 0.000 2.478 225 D HA 0.197 4.836 4.640 -0.001 0.000 0.263 225 D C 0.545 176.860 176.300 0.025 0.000 1.153 225 D CA -0.523 53.492 54.000 0.025 0.000 1.038 225 D CB 1.724 42.536 40.800 0.020 0.000 1.120 225 D HN 0.830 nan 8.370 nan 0.000 0.564 226 K N -0.238 120.173 120.400 0.018 0.000 2.032 226 K HA -0.203 4.117 4.320 -0.001 0.000 0.209 226 K C 1.978 178.590 176.600 0.020 0.000 1.048 226 K CA 2.035 58.333 56.287 0.017 0.000 0.927 226 K CB -0.284 32.222 32.500 0.010 0.000 0.712 226 K HN 0.490 nan 8.250 nan 0.000 0.441 227 S N 0.566 116.275 115.700 0.015 0.000 2.419 227 S HA -0.159 4.310 4.470 -0.001 0.000 0.233 227 S C 1.467 176.077 174.600 0.018 0.000 1.016 227 S CA 1.417 59.623 58.200 0.010 0.000 0.974 227 S CB -0.276 62.924 63.200 -0.001 0.000 0.786 227 S HN 0.321 nan 8.310 nan 0.000 0.492 228 D N 2.282 122.699 120.400 0.029 0.000 2.117 228 D HA 0.061 4.701 4.640 -0.001 0.000 0.198 228 D C 2.346 178.682 176.300 0.060 0.000 0.982 228 D CA 1.363 55.389 54.000 0.044 0.000 0.828 228 D CB -0.558 40.273 40.800 0.053 0.000 0.967 228 D HN 0.555 nan 8.370 nan 0.000 0.464 229 A N 0.969 123.822 122.820 0.056 0.000 1.902 229 A HA -0.148 4.172 4.320 -0.001 0.000 0.217 229 A C 2.580 180.213 177.584 0.081 0.000 1.181 229 A CA 1.289 53.366 52.037 0.067 0.000 0.623 229 A CB -0.812 18.218 19.000 0.050 0.000 0.818 229 A HN 0.131 nan 8.150 nan 0.000 0.443 230 V N -0.097 119.857 119.914 0.066 0.000 2.287 230 V HA -0.283 3.837 4.120 -0.001 0.000 0.248 230 V C 2.759 178.924 176.094 0.118 0.000 1.053 230 V CA 2.112 64.462 62.300 0.083 0.000 1.027 230 V CB -0.808 31.045 31.823 0.051 0.000 0.646 230 V HN 0.523 nan 8.190 nan 0.000 0.447 231 Q N -0.627 119.217 119.800 0.074 0.000 2.135 231 Q HA -0.133 4.207 4.340 -0.001 0.000 0.204 231 Q C 2.253 178.344 176.000 0.153 0.000 0.981 231 Q CA 1.495 57.344 55.803 0.077 0.000 0.856 231 Q CB -0.418 28.325 28.738 0.008 0.000 0.902 231 Q HN 0.494 nan 8.270 nan 0.000 0.425 232 I N 0.270 120.919 120.570 0.133 0.000 2.252 232 I HA -0.184 3.986 4.170 -0.001 0.000 0.245 232 I C 2.191 178.414 176.117 0.177 0.000 1.102 232 I CA 1.177 62.569 61.300 0.154 0.000 1.385 232 I CB -1.523 36.587 38.000 0.182 0.000 1.064 232 I HN 0.022 nan 8.210 nan 0.000 0.414 233 A N 0.490 123.416 122.820 0.177 0.000 1.933 233 A HA -0.254 4.065 4.320 -0.001 0.000 0.218 233 A C 2.317 180.015 177.584 0.190 0.000 1.175 233 A CA 1.332 53.475 52.037 0.175 0.000 0.628 233 A CB -1.060 18.034 19.000 0.156 0.000 0.814 233 A HN 0.386 nan 8.150 nan 0.000 0.444 234 F N 0.299 120.289 119.950 0.066 0.000 2.102 234 F HA -0.155 4.372 4.527 -0.000 0.000 0.298 234 F C 1.859 177.679 175.800 0.033 0.000 1.105 234 F CA 1.816 59.847 58.000 0.051 0.000 1.239 234 F CB -0.277 38.742 39.000 0.031 0.000 0.991 234 F HN 0.218 nan 8.300 nan 0.000 0.474 235 L N 0.661 122.004 121.223 0.199 0.000 2.012 235 L HA -0.189 4.151 4.340 -0.001 0.000 0.210 235 L C 1.996 178.849 176.870 -0.028 0.000 1.073 235 L CA 1.907 56.771 54.840 0.040 0.000 0.748 235 L CB -0.946 41.097 42.059 -0.026 0.000 0.891 235 L HN 0.268 nan 8.230 nan 0.000 0.431 236 L N -1.215 120.040 121.223 0.054 0.000 2.291 236 L HA -0.134 4.205 4.340 -0.001 0.000 0.214 236 L C 2.348 179.266 176.870 0.081 0.000 1.120 236 L CA 0.601 55.503 54.840 0.103 0.000 0.799 236 L CB -0.458 41.729 42.059 0.213 0.000 0.925 236 L HN 0.375 nan 8.230 nan 0.000 0.446 237 L N -0.265 120.966 121.223 0.013 0.000 2.127 237 L HA -0.068 4.272 4.340 -0.001 0.000 0.203 237 L C 2.292 179.106 176.870 -0.092 0.000 1.080 237 L CA 1.390 56.233 54.840 0.005 0.000 0.768 237 L CB 0.001 42.046 42.059 -0.025 0.000 0.924 237 L HN 0.122 nan 8.230 nan 0.000 0.444 238 V N -2.432 117.322 119.914 -0.266 0.000 2.825 238 V HA 0.403 4.522 4.120 -0.001 0.000 0.246 238 V C 1.268 177.271 176.094 -0.151 0.000 1.068 238 V CA 0.205 62.334 62.300 -0.284 0.000 1.088 238 V CB -1.303 30.184 31.823 -0.561 0.000 0.733 238 V HN 0.291 nan 8.190 nan 0.000 0.468 239 A N 0.792 123.546 122.820 -0.110 0.000 2.454 239 A HA 0.544 4.863 4.320 -0.001 0.000 0.260 239 A C 1.641 179.222 177.584 -0.006 0.000 1.106 239 A CA 0.640 52.649 52.037 -0.047 0.000 0.780 239 A CB -0.441 18.538 19.000 -0.034 0.000 1.044 239 A HN 1.905 nan 8.150 nan 0.000 0.498 240 G N 2.648 111.450 108.800 0.004 0.000 2.302 240 G HA2 -0.425 3.535 3.960 -0.001 0.000 0.263 240 G HA3 -0.425 3.535 3.960 -0.001 0.000 0.263 240 G C 1.148 176.061 174.900 0.022 0.000 0.995 240 G CA 1.330 46.449 45.100 0.030 0.000 0.622 240 G HN 0.919 nan 8.290 nan 0.000 0.538 241 N N 1.055 119.756 118.700 0.002 0.000 2.039 241 N HA 0.138 4.878 4.740 -0.001 0.000 0.193 241 N C 2.655 178.142 175.510 -0.038 0.000 1.044 241 N CA 2.946 55.984 53.050 -0.019 0.000 0.847 241 N CB -0.490 37.979 38.487 -0.030 0.000 1.030 241 N HN 0.825 nan 8.380 nan 0.000 0.422 242 A N -0.830 121.966 122.820 -0.040 0.000 1.972 242 A HA -0.127 4.193 4.320 -0.001 0.000 0.219 242 A C 2.225 179.794 177.584 -0.025 0.000 1.169 242 A CA 2.039 54.051 52.037 -0.041 0.000 0.635 242 A CB -1.110 17.865 19.000 -0.041 0.000 0.810 242 A HN 0.449 nan 8.150 nan 0.000 0.446 243 T N -0.237 114.310 114.554 -0.012 0.000 2.777 243 T HA -0.117 4.232 4.350 -0.001 0.000 0.266 243 T C 1.962 176.670 174.700 0.013 0.000 1.040 243 T CA 1.470 63.569 62.100 -0.001 0.000 1.141 243 T CB -0.226 68.641 68.868 -0.001 0.000 0.868 243 T HN 0.272 nan 8.240 nan 0.000 0.444 244 M N 0.993 120.604 119.600 0.020 0.000 2.117 244 M HA -0.050 4.429 4.480 -0.001 0.000 0.262 244 M C 2.474 178.777 176.300 0.005 0.000 1.065 244 M CA 1.118 56.438 55.300 0.034 0.000 1.114 244 M CB -1.200 31.413 32.600 0.021 0.000 1.361 244 M HN 0.138 nan 8.290 nan 0.000 0.408 245 V N 1.154 121.046 119.914 -0.037 0.000 2.282 245 V HA -0.314 3.805 4.120 -0.001 0.000 0.249 245 V C 2.195 178.282 176.094 -0.012 0.000 1.057 245 V CA 1.836 64.101 62.300 -0.058 0.000 1.032 245 V CB -0.999 30.777 31.823 -0.079 0.000 0.645 245 V HN 0.451 nan 8.190 nan 0.000 0.447 246 N N -0.418 118.281 118.700 -0.001 0.000 2.120 246 N HA -0.130 4.609 4.740 -0.001 0.000 0.188 246 N C 1.764 177.303 175.510 0.048 0.000 1.024 246 N CA 1.397 54.455 53.050 0.014 0.000 0.852 246 N CB -0.312 38.180 38.487 0.009 0.000 1.003 246 N HN 0.310 nan 8.380 nan 0.000 0.424 247 M N 0.618 120.261 119.600 0.072 0.000 2.117 247 M HA -0.035 4.445 4.480 -0.001 0.000 0.262 247 M C 2.175 178.618 176.300 0.238 0.000 1.065 247 M CA 0.851 56.230 55.300 0.132 0.000 1.114 247 M CB -0.895 31.787 32.600 0.137 0.000 1.361 247 M HN 0.094 nan 8.290 nan 0.000 0.408 248 I N 0.040 120.742 120.570 0.221 0.000 2.179 248 I HA -0.258 3.912 4.170 -0.001 0.000 0.242 248 I C 2.597 178.909 176.117 0.325 0.000 1.088 248 I CA 1.261 62.746 61.300 0.310 0.000 1.357 248 I CB -0.569 37.481 38.000 0.082 0.000 1.051 248 I HN 0.212 nan 8.210 nan 0.000 0.409 249 A N 0.827 123.747 122.820 0.167 0.000 1.902 249 A HA -0.175 4.144 4.320 -0.001 0.000 0.217 249 A C 2.287 179.948 177.584 0.128 0.000 1.181 249 A CA 1.488 53.598 52.037 0.122 0.000 0.623 249 A CB -0.930 18.087 19.000 0.029 0.000 0.818 249 A HN 0.390 nan 8.150 nan 0.000 0.443 250 L N -0.699 120.579 121.223 0.091 0.000 2.131 250 L HA -0.117 4.222 4.340 -0.001 0.000 0.210 250 L C 2.784 179.743 176.870 0.149 0.000 1.092 250 L CA 0.926 55.772 54.840 0.010 0.000 0.759 250 L CB -0.665 41.293 42.059 -0.168 0.000 0.903 250 L HN 0.504 nan 8.230 nan 0.000 0.435 251 G N -0.529 108.454 108.800 0.305 0.000 2.418 251 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.217 251 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.217 251 G C 1.576 176.751 174.900 0.459 0.000 1.158 251 G CA 0.859 46.177 45.100 0.364 0.000 0.771 251 G HN 0.190 nan 8.290 nan 0.000 0.545 252 V N 1.474 121.707 119.914 0.533 0.000 2.358 252 V HA -0.094 4.026 4.120 -0.001 0.000 0.246 252 V C 3.296 179.537 176.094 0.244 0.000 1.047 252 V CA 1.942 64.502 62.300 0.433 0.000 1.035 252 V CB -0.747 31.269 31.823 0.321 0.000 0.658 252 V HN 0.467 nan 8.190 nan 0.000 0.452 253 A N -0.246 122.676 122.820 0.170 0.000 1.930 253 A HA -0.197 4.123 4.320 -0.001 0.000 0.217 253 A C 2.394 180.048 177.584 0.117 0.000 1.175 253 A CA 2.350 54.452 52.037 0.108 0.000 0.627 253 A CB -0.893 18.145 19.000 0.064 0.000 0.815 253 A HN 0.495 nan 8.150 nan 0.000 0.443 254 T N 0.472 115.105 114.554 0.131 0.000 2.746 254 T HA -0.069 4.281 4.350 -0.001 0.000 0.267 254 T C 1.770 176.491 174.700 0.035 0.000 1.039 254 T CA 1.422 63.557 62.100 0.057 0.000 1.142 254 T CB -0.346 68.413 68.868 -0.181 0.000 0.866 254 T HN 0.361 nan 8.240 nan 0.000 0.444 255 L N 0.619 121.862 121.223 0.035 0.000 2.141 255 L HA -0.020 4.319 4.340 -0.001 0.000 0.209 255 L C 2.947 179.801 176.870 -0.025 0.000 1.094 255 L CA 0.971 55.786 54.840 -0.042 0.000 0.763 255 L CB -0.539 41.422 42.059 -0.163 0.000 0.908 255 L HN 0.241 nan 8.230 nan 0.000 0.437 256 A N -0.589 122.243 122.820 0.019 0.000 1.968 256 A HA -0.232 4.087 4.320 -0.001 0.000 0.217 256 A C 2.195 179.756 177.584 -0.038 0.000 1.169 256 A CA 1.444 53.483 52.037 0.004 0.000 0.638 256 A CB -0.354 18.667 19.000 0.036 0.000 0.812 256 A HN 0.370 nan 8.150 nan 0.000 0.446 257 Q N -0.142 119.621 119.800 -0.062 0.000 2.297 257 Q HA -0.070 4.269 4.340 -0.001 0.000 0.204 257 Q C -0.011 175.713 176.000 -0.461 0.000 0.962 257 Q CA 1.095 56.769 55.803 -0.215 0.000 0.879 257 Q CB -0.101 28.514 28.738 -0.205 0.000 0.947 257 Q HN 0.728 nan 8.270 nan 0.000 0.462 258 H N -0.786 118.249 119.070 -0.058 0.000 2.348 258 H HA 0.224 4.778 4.556 -0.003 0.000 0.232 258 H C -2.076 173.225 175.328 -0.046 0.000 1.419 258 H CA -1.851 54.172 56.048 -0.041 0.000 1.416 258 H CB 1.350 31.087 29.762 -0.041 0.000 1.510 258 H HN 0.178 nan 8.280 nan 0.000 0.507 259 P HA -0.202 nan 4.420 nan 0.000 0.217 259 P C 1.462 178.758 177.300 -0.007 0.000 1.151 259 P CA 1.414 64.503 63.100 -0.017 0.000 0.849 259 P CB 0.505 32.192 31.700 -0.022 0.000 0.787 260 D N -0.954 119.462 120.400 0.026 0.000 2.117 260 D HA -0.183 4.456 4.640 -0.001 0.000 0.197 260 D C 1.959 178.274 176.300 0.025 0.000 0.987 260 D CA 1.268 55.283 54.000 0.026 0.000 0.829 260 D CB -0.356 40.469 40.800 0.043 0.000 0.961 260 D HN 0.181 nan 8.370 nan 0.000 0.460 261 Q N -0.756 119.078 119.800 0.056 0.000 2.172 261 Q HA -0.062 4.277 4.340 -0.001 0.000 0.200 261 Q C 2.079 178.056 176.000 -0.037 0.000 0.964 261 Q CA 0.520 56.355 55.803 0.055 0.000 0.855 261 Q CB -0.018 28.810 28.738 0.149 0.000 0.918 261 Q HN 0.316 nan 8.270 nan 0.000 0.444 262 L N 0.655 121.818 121.223 -0.100 0.000 2.093 262 L HA -0.043 4.297 4.340 -0.001 0.000 0.208 262 L C 2.136 178.891 176.870 -0.192 0.000 1.085 262 L CA 1.825 56.513 54.840 -0.253 0.000 0.755 262 L CB -0.695 41.183 42.059 -0.302 0.000 0.904 262 L HN 0.083 nan 8.230 nan 0.000 0.435 263 A N -0.947 121.812 122.820 -0.101 0.000 1.902 263 A HA -0.262 4.058 4.320 -0.001 0.000 0.217 263 A C 2.191 179.749 177.584 -0.043 0.000 1.181 263 A CA 1.890 53.889 52.037 -0.062 0.000 0.623 263 A CB -0.573 18.409 19.000 -0.030 0.000 0.818 263 A HN 0.663 nan 8.150 nan 0.000 0.443 264 Q N -1.233 118.550 119.800 -0.029 0.000 2.084 264 Q HA -0.154 4.186 4.340 -0.001 0.000 0.202 264 Q C 2.103 178.098 176.000 -0.009 0.000 0.978 264 Q CA 1.434 57.234 55.803 -0.005 0.000 0.844 264 Q CB -0.331 28.417 28.738 0.018 0.000 0.898 264 Q HN 0.570 nan 8.270 nan 0.000 0.426 265 L N 1.275 122.472 121.223 -0.044 0.000 2.046 265 L HA -0.177 4.162 4.340 -0.001 0.000 0.208 265 L C 1.869 178.729 176.870 -0.017 0.000 1.077 265 L CA 1.826 56.642 54.840 -0.040 0.000 0.747 265 L CB -0.204 41.772 42.059 -0.139 0.000 0.896 265 L HN 0.002 nan 8.230 nan 0.000 0.432 266 K N -0.739 119.630 120.400 -0.052 0.000 2.057 266 K HA -0.089 4.230 4.320 -0.001 0.000 0.207 266 K C 2.065 178.675 176.600 0.015 0.000 1.049 266 K CA 1.307 57.593 56.287 -0.002 0.000 0.931 266 K CB -0.368 32.119 32.500 -0.022 0.000 0.714 266 K HN 0.458 nan 8.250 nan 0.000 0.440 267 A N 1.296 124.120 122.820 0.006 0.000 1.969 267 A HA -0.122 4.198 4.320 -0.001 0.000 0.218 267 A C 0.880 178.477 177.584 0.022 0.000 1.169 267 A CA 1.274 53.319 52.037 0.014 0.000 0.635 267 A CB -0.150 18.857 19.000 0.010 0.000 0.810 267 A HN 0.314 nan 8.150 nan 0.000 0.445 268 N N -1.244 117.472 118.700 0.027 0.000 2.640 268 N HA 0.248 4.987 4.740 -0.001 0.000 0.262 268 N C -2.403 173.139 175.510 0.053 0.000 1.174 268 N CA -1.755 51.318 53.050 0.038 0.000 0.791 268 N CB 1.495 40.005 38.487 0.039 0.000 1.279 268 N HN -0.107 nan 8.380 nan 0.000 0.535 269 P HA -0.122 nan 4.420 nan 0.000 0.228 269 P C 0.781 178.136 177.300 0.092 0.000 1.151 269 P CA 0.808 63.956 63.100 0.081 0.000 0.770 269 P CB 0.158 31.900 31.700 0.069 0.000 0.786 270 S N -0.896 114.849 115.700 0.076 0.000 2.603 270 S HA -0.001 4.469 4.470 -0.001 0.000 0.229 270 S C 1.703 176.361 174.600 0.096 0.000 0.972 270 S CA 0.247 58.494 58.200 0.078 0.000 0.935 270 S CB -1.282 61.954 63.200 0.060 0.000 0.769 270 S HN 0.135 nan 8.310 nan 0.000 0.536 271 L N 0.505 121.793 121.223 0.107 0.000 2.591 271 L HA 0.292 4.631 4.340 -0.001 0.000 0.228 271 L C 2.777 179.761 176.870 0.190 0.000 1.133 271 L CA 0.427 55.345 54.840 0.131 0.000 0.880 271 L CB -0.598 41.529 42.059 0.114 0.000 1.033 271 L HN 0.425 nan 8.230 nan 0.000 0.450 272 A N 1.402 124.344 122.820 0.203 0.000 1.917 272 A HA -0.158 4.162 4.320 -0.001 0.000 0.219 272 A C -0.122 177.644 177.584 0.303 0.000 1.182 272 A CA 1.753 53.970 52.037 0.299 0.000 0.633 272 A CB -1.595 17.577 19.000 0.287 0.000 0.819 272 A HN 0.265 nan 8.150 nan 0.000 0.448 273 P HA -0.226 nan 4.420 nan 0.000 0.215 273 P C 1.657 179.035 177.300 0.129 0.000 1.153 273 P CA 1.746 64.936 63.100 0.149 0.000 0.853 273 P CB -0.202 31.557 31.700 0.097 0.000 0.788 274 Q N -1.705 118.187 119.800 0.154 0.000 2.172 274 Q HA -0.164 4.175 4.340 -0.001 0.000 0.200 274 Q C 2.041 178.156 176.000 0.192 0.000 0.964 274 Q CA 1.040 56.941 55.803 0.163 0.000 0.855 274 Q CB -1.299 27.555 28.738 0.192 0.000 0.918 274 Q HN 0.180 nan 8.270 nan 0.000 0.444 275 F N 2.245 122.260 119.950 0.108 0.000 2.102 275 F HA -0.154 4.376 4.527 0.004 0.000 0.298 275 F C 1.985 177.850 175.800 0.107 0.000 1.105 275 F CA 1.230 59.298 58.000 0.113 0.000 1.239 275 F CB -0.334 38.716 39.000 0.082 0.000 0.991 275 F HN -0.118 nan 8.300 nan 0.000 0.474 276 V N 0.724 120.647 119.914 0.015 0.000 2.392 276 V HA -0.263 3.857 4.120 -0.001 0.000 0.249 276 V C 2.487 178.543 176.094 -0.063 0.000 1.059 276 V CA 2.111 64.383 62.300 -0.048 0.000 1.051 276 V CB -0.690 31.230 31.823 0.162 0.000 0.658 276 V HN 0.309 nan 8.190 nan 0.000 0.455 277 E N -0.010 120.161 120.200 -0.049 0.000 2.051 277 E HA -0.246 4.104 4.350 -0.001 0.000 0.192 277 E C 2.242 178.850 176.600 0.014 0.000 0.991 277 E CA 1.549 57.869 56.400 -0.134 0.000 0.799 277 E CB -0.193 29.271 29.700 -0.393 0.000 0.748 277 E HN 0.683 nan 8.360 nan 0.000 0.449 278 E N 0.813 121.057 120.200 0.074 0.000 2.106 278 E HA -0.134 4.216 4.350 -0.001 0.000 0.192 278 E C 2.029 178.522 176.600 -0.178 0.000 0.984 278 E CA 0.418 56.752 56.400 -0.109 0.000 0.806 278 E CB -0.284 29.014 29.700 -0.670 0.000 0.750 278 E HN 0.114 nan 8.360 nan 0.000 0.458 279 L N 0.006 121.130 121.223 -0.164 0.000 2.017 279 L HA -0.150 4.189 4.340 -0.001 0.000 0.208 279 L C 2.085 179.001 176.870 0.077 0.000 1.073 279 L CA 1.767 56.616 54.840 0.015 0.000 0.745 279 L CB -0.735 41.119 42.059 -0.341 0.000 0.894 279 L HN 0.295 nan 8.230 nan 0.000 0.432 280 C N -0.494 118.820 119.300 0.023 0.000 2.437 280 C HA -0.058 4.402 4.460 -0.001 0.000 0.283 280 C C 2.852 177.838 174.990 -0.007 0.000 1.424 280 C CA 0.890 59.916 59.018 0.013 0.000 1.782 280 C CB -1.275 26.513 27.740 0.080 0.000 1.833 280 C HN 0.563 nan 8.230 nan 0.000 0.532 281 R N -0.734 119.777 120.500 0.018 0.000 2.064 281 R HA -0.043 4.296 4.340 -0.001 0.000 0.221 281 R C 2.278 178.552 176.300 -0.044 0.000 1.136 281 R CA 0.926 56.999 56.100 -0.044 0.000 0.980 281 R CB -0.641 29.607 30.300 -0.088 0.000 0.876 281 R HN 0.529 nan 8.270 nan 0.000 0.437 282 Y N 0.827 121.038 120.300 -0.149 0.000 2.114 282 Y HA -0.161 4.391 4.550 0.004 0.000 0.284 282 Y C 0.542 176.323 175.900 -0.198 0.000 1.143 282 Y CA 1.499 59.494 58.100 -0.176 0.000 1.135 282 Y CB 0.156 38.552 38.460 -0.106 0.000 0.980 282 Y HN 0.140 nan 8.280 nan 0.000 0.499 283 H N 0.711 119.880 119.070 0.165 0.000 2.746 283 H HA 0.231 4.786 4.556 -0.003 0.000 0.269 283 H C -0.547 174.781 175.328 -0.000 0.000 1.248 283 H CA -0.222 55.862 56.048 0.061 0.000 1.258 283 H CB 0.345 30.198 29.762 0.151 0.000 1.441 283 H HN 0.063 nan 8.280 nan 0.000 0.508 284 T N 3.082 117.672 114.554 0.059 0.000 3.414 284 T HA 0.167 4.517 4.350 -0.001 0.000 0.304 284 T C 1.507 176.216 174.700 0.015 0.000 1.241 284 T CA -0.206 61.892 62.100 -0.002 0.000 1.076 284 T CB 0.173 69.028 68.868 -0.021 0.000 1.134 284 T HN 0.611 nan 8.240 nan 0.000 0.759 285 A N 2.390 125.213 122.820 0.005 0.000 2.178 285 A HA 0.079 4.399 4.320 -0.001 0.000 0.218 285 A C 1.590 179.167 177.584 -0.013 0.000 1.157 285 A CA 0.469 52.510 52.037 0.007 0.000 0.689 285 A CB 0.105 19.107 19.000 0.003 0.000 0.787 285 A HN 0.567 nan 8.150 nan 0.000 0.465 286 S N -1.089 114.587 115.700 -0.040 0.000 2.622 286 S HA 0.601 5.071 4.470 -0.001 0.000 0.283 286 S C 0.290 174.883 174.600 -0.011 0.000 1.197 286 S CA 0.056 58.240 58.200 -0.027 0.000 1.146 286 S CB 0.836 64.006 63.200 -0.050 0.000 1.007 286 S HN 0.657 nan 8.310 nan 0.000 0.478 287 A N 4.355 127.188 122.820 0.022 0.000 2.358 287 A HA 0.464 4.784 4.320 -0.001 0.000 0.223 287 A C 0.847 178.477 177.584 0.076 0.000 1.218 287 A CA -0.048 52.017 52.037 0.047 0.000 0.942 287 A CB 0.122 19.176 19.000 0.090 0.000 1.005 287 A HN 0.707 nan 8.150 nan 0.000 0.514 288 L N -1.068 120.196 121.223 0.068 0.000 2.959 288 L HA 0.322 4.662 4.340 -0.001 0.000 0.259 288 L C 1.895 178.808 176.870 0.072 0.000 1.185 288 L CA 0.551 55.446 54.840 0.093 0.000 0.998 288 L CB 0.635 42.738 42.059 0.074 0.000 1.337 288 L HN 0.297 nan 8.230 nan 0.000 0.555 289 A N 0.106 122.958 122.820 0.054 0.000 2.081 289 A HA 0.235 4.555 4.320 -0.001 0.000 0.214 289 A C 1.208 178.824 177.584 0.054 0.000 1.158 289 A CA 0.220 52.292 52.037 0.057 0.000 0.724 289 A CB -0.154 18.873 19.000 0.045 0.000 0.826 289 A HN 0.317 nan 8.150 nan 0.000 0.463 290 I N 1.679 122.271 120.570 0.037 0.000 2.268 290 I HA 0.087 4.256 4.170 -0.001 0.000 0.298 290 I C -0.403 175.715 176.117 0.002 0.000 1.185 290 I CA 0.293 61.607 61.300 0.023 0.000 1.548 290 I CB -0.213 37.798 38.000 0.020 0.000 1.492 290 I HN 0.122 nan 8.210 nan 0.000 0.711 291 K N 5.984 126.388 120.400 0.007 0.000 2.259 291 K HA 0.726 5.045 4.320 -0.001 0.000 0.252 291 K C -0.379 176.198 176.600 -0.039 0.000 0.936 291 K CA -1.026 55.208 56.287 -0.088 0.000 0.810 291 K CB 2.457 34.824 32.500 -0.222 0.000 1.143 291 K HN 0.290 nan 8.250 nan 0.000 0.427 292 R N 0.213 120.652 120.500 -0.102 0.000 2.870 292 R HA 0.481 4.821 4.340 -0.001 0.000 0.262 292 R C -0.725 175.561 176.300 -0.024 0.000 1.112 292 R CA -0.793 55.313 56.100 0.009 0.000 0.976 292 R CB 1.459 31.767 30.300 0.015 0.000 1.261 292 R HN 0.889 nan 8.270 nan 0.000 0.453 293 T N -2.773 111.816 114.554 0.059 0.000 2.903 293 T HA 0.746 5.095 4.350 -0.001 0.000 0.299 293 T C -0.593 174.141 174.700 0.057 0.000 1.093 293 T CA -0.845 61.292 62.100 0.062 0.000 1.002 293 T CB 2.130 71.067 68.868 0.114 0.000 1.127 293 T HN 0.642 nan 8.240 nan 0.000 0.488 294 A N 1.820 124.670 122.820 0.050 0.000 2.366 294 A HA 0.487 4.806 4.320 -0.001 0.000 0.272 294 A C 1.113 178.721 177.584 0.041 0.000 1.135 294 A CA -0.701 51.358 52.037 0.037 0.000 0.804 294 A CB 0.316 19.329 19.000 0.022 0.000 1.064 294 A HN 0.966 nan 8.150 nan 0.000 0.499 295 K N 0.679 121.100 120.400 0.035 0.000 2.167 295 K HA -0.003 4.317 4.320 -0.001 0.000 0.203 295 K C 0.428 177.045 176.600 0.029 0.000 1.052 295 K CA 1.521 57.828 56.287 0.034 0.000 0.956 295 K CB 0.131 32.648 32.500 0.028 0.000 0.735 295 K HN 0.940 nan 8.250 nan 0.000 0.451 296 E N 0.001 120.216 120.200 0.025 0.000 2.458 296 E HA 0.213 4.563 4.350 -0.001 0.000 0.278 296 E C -1.565 175.043 176.600 0.014 0.000 1.004 296 E CA -1.057 55.355 56.400 0.020 0.000 0.823 296 E CB 0.717 30.427 29.700 0.018 0.000 1.396 296 E HN -0.235 nan 8.360 nan 0.000 0.463 297 D N 0.486 120.891 120.400 0.008 0.000 2.493 297 D HA 0.294 4.934 4.640 -0.001 0.000 0.240 297 D C -0.853 175.440 176.300 -0.012 0.000 1.142 297 D CA 0.354 54.349 54.000 -0.007 0.000 0.872 297 D CB 1.390 42.185 40.800 -0.008 0.000 1.173 297 D HN 0.319 nan 8.370 nan 0.000 0.467 298 V N 3.353 123.245 119.914 -0.036 0.000 3.048 298 V HA 0.309 4.429 4.120 -0.001 0.000 0.303 298 V C -1.425 174.613 176.094 -0.094 0.000 1.214 298 V CA -0.941 61.347 62.300 -0.021 0.000 0.984 298 V CB 2.175 34.028 31.823 0.050 0.000 1.054 298 V HN 0.357 nan 8.190 nan 0.000 0.430 299 M N 5.975 125.512 119.600 -0.105 0.000 2.146 299 M HA 0.520 5.000 4.480 -0.001 0.000 0.357 299 M C -0.641 175.463 176.300 -0.326 0.000 1.261 299 M CA 0.112 55.286 55.300 -0.210 0.000 1.106 299 M CB 0.576 33.061 32.600 -0.191 0.000 1.612 299 M HN 0.444 nan 8.290 nan 0.000 0.470 300 I N 2.768 123.126 120.570 -0.353 0.000 2.420 300 I HA 0.491 4.661 4.170 -0.001 0.000 0.282 300 I C 0.894 176.812 176.117 -0.331 0.000 1.019 300 I CA -0.202 60.871 61.300 -0.378 0.000 1.130 300 I CB 1.248 39.102 38.000 -0.244 0.000 1.262 300 I HN 0.940 nan 8.210 nan 0.000 0.454 301 G N 5.807 114.398 108.800 -0.349 0.000 2.531 301 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.274 301 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.274 301 G C 0.396 175.175 174.900 -0.202 0.000 1.159 301 G CA 0.480 45.445 45.100 -0.224 0.000 0.969 301 G HN 0.789 nan 8.290 nan 0.000 0.554 302 D N 0.830 121.143 120.400 -0.144 0.000 2.402 302 D HA 0.204 4.844 4.640 -0.001 0.000 0.216 302 D C 0.288 176.511 176.300 -0.128 0.000 1.128 302 D CA 0.243 54.172 54.000 -0.118 0.000 0.833 302 D CB 0.192 40.950 40.800 -0.070 0.000 0.971 302 D HN 0.331 nan 8.370 nan 0.000 0.503 303 K N 0.906 121.186 120.400 -0.200 0.000 2.182 303 K HA 0.336 4.656 4.320 -0.001 0.000 0.262 303 K C -0.549 175.818 176.600 -0.388 0.000 0.957 303 K CA -1.106 55.011 56.287 -0.284 0.000 0.842 303 K CB 2.582 34.830 32.500 -0.420 0.000 1.099 303 K HN 0.071 nan 8.250 nan 0.000 0.438 304 L N 3.396 124.431 121.223 -0.312 0.000 2.261 304 L HA 0.214 4.554 4.340 -0.001 0.000 0.289 304 L C -0.928 175.717 176.870 -0.374 0.000 1.059 304 L CA -0.396 54.285 54.840 -0.265 0.000 0.816 304 L CB 0.897 42.883 42.059 -0.122 0.000 1.191 304 L HN 0.257 nan 8.230 nan 0.000 0.431 305 V N 6.478 126.127 119.914 -0.441 0.000 2.383 305 V HA 0.453 4.573 4.120 -0.001 0.000 0.275 305 V C 0.634 176.650 176.094 -0.130 0.000 1.036 305 V CA -0.608 61.425 62.300 -0.446 0.000 0.889 305 V CB 1.019 32.503 31.823 -0.565 0.000 0.985 305 V HN 0.717 nan 8.190 nan 0.000 0.459 306 R N 2.855 123.358 120.500 0.006 0.000 2.560 306 R HA 0.626 4.965 4.340 -0.001 0.000 0.270 306 R C 0.465 176.793 176.300 0.046 0.000 1.074 306 R CA -0.284 55.838 56.100 0.036 0.000 1.140 306 R CB 0.647 30.990 30.300 0.072 0.000 1.073 306 R HN 0.855 nan 8.270 nan 0.000 0.527 307 A N 2.409 125.251 122.820 0.036 0.000 2.567 307 A HA -0.039 4.280 4.320 -0.001 0.000 0.240 307 A C 0.184 177.800 177.584 0.054 0.000 1.053 307 A CA 0.116 52.176 52.037 0.039 0.000 0.755 307 A CB -0.112 18.907 19.000 0.032 0.000 0.978 307 A HN 0.963 nan 8.150 nan 0.000 0.507 308 N N -0.204 118.530 118.700 0.058 0.000 2.925 308 N HA -0.131 4.609 4.740 -0.001 0.000 0.244 308 N C -0.329 175.228 175.510 0.079 0.000 1.000 308 N CA 1.645 54.735 53.050 0.066 0.000 0.895 308 N CB -1.287 37.233 38.487 0.056 0.000 1.119 308 N HN 0.917 nan 8.380 nan 0.000 0.569 309 E N 0.305 120.566 120.200 0.101 0.000 2.277 309 E HA 0.547 4.896 4.350 -0.001 0.000 0.274 309 E C 0.927 177.604 176.600 0.128 0.000 1.022 309 E CA -0.425 56.061 56.400 0.143 0.000 0.853 309 E CB 1.010 30.875 29.700 0.274 0.000 1.086 309 E HN 0.252 nan 8.360 nan 0.000 0.397 310 G N 1.552 110.406 108.800 0.091 0.000 2.448 310 G HA2 0.547 4.507 3.960 -0.001 0.000 0.285 310 G HA3 0.547 4.507 3.960 -0.001 0.000 0.285 310 G C -0.468 174.470 174.900 0.063 0.000 1.176 310 G CA -0.398 44.706 45.100 0.007 0.000 0.852 310 G HN 0.367 nan 8.290 nan 0.000 0.530 311 I N 0.177 120.734 120.570 -0.021 0.000 2.647 311 I HA 0.376 4.545 4.170 -0.001 0.000 0.295 311 I C -1.171 174.896 176.117 -0.083 0.000 1.078 311 I CA -0.758 60.550 61.300 0.013 0.000 1.048 311 I CB 2.564 40.584 38.000 0.033 0.000 1.239 311 I HN 0.149 nan 8.210 nan 0.000 0.421 312 I N 4.719 125.235 120.570 -0.090 0.000 2.439 312 I HA 0.479 4.649 4.170 -0.001 0.000 0.283 312 I C -0.000 176.062 176.117 -0.092 0.000 1.023 312 I CA -0.274 60.957 61.300 -0.114 0.000 1.100 312 I CB 1.882 39.769 38.000 -0.188 0.000 1.238 312 I HN 0.579 nan 8.210 nan 0.000 0.445 313 A N 3.998 126.786 122.820 -0.055 0.000 2.294 313 A HA 0.568 4.888 4.320 -0.001 0.000 0.316 313 A C 0.271 177.812 177.584 -0.072 0.000 1.359 313 A CA -0.363 51.641 52.037 -0.057 0.000 0.956 313 A CB 0.469 19.453 19.000 -0.028 0.000 1.155 313 A HN 0.584 nan 8.150 nan 0.000 0.544 314 S N 2.667 118.285 115.700 -0.136 0.000 2.423 314 S HA 0.049 4.519 4.470 -0.001 0.000 0.302 314 S C 1.363 175.860 174.600 -0.173 0.000 1.143 314 S CA -0.425 57.663 58.200 -0.188 0.000 1.080 314 S CB -0.306 62.602 63.200 -0.486 0.000 1.081 314 S HN 0.790 nan 8.310 nan 0.000 0.522 315 N N 4.831 123.474 118.700 -0.095 0.000 2.459 315 N HA -0.176 4.564 4.740 -0.001 0.000 0.181 315 N C 1.450 176.922 175.510 -0.063 0.000 1.046 315 N CA 0.666 53.671 53.050 -0.075 0.000 0.904 315 N CB -0.328 38.135 38.487 -0.040 0.000 0.964 315 N HN 0.795 nan 8.380 nan 0.000 0.444 316 Q N 0.610 120.365 119.800 -0.075 0.000 2.049 316 Q HA -0.061 4.278 4.340 -0.001 0.000 0.198 316 Q C 1.952 177.909 176.000 -0.071 0.000 0.971 316 Q CA 1.432 57.212 55.803 -0.038 0.000 0.833 316 Q CB -0.087 28.680 28.738 0.049 0.000 0.896 316 Q HN 0.351 nan 8.270 nan 0.000 0.434 317 S N -0.418 115.131 115.700 -0.251 0.000 2.368 317 S HA -0.096 4.374 4.470 -0.001 0.000 0.224 317 S C 1.951 176.514 174.600 -0.060 0.000 1.029 317 S CA 1.083 59.130 58.200 -0.255 0.000 0.988 317 S CB -0.347 62.468 63.200 -0.641 0.000 0.838 317 S HN 0.541 nan 8.310 nan 0.000 0.462 318 A N 1.920 124.711 122.820 -0.048 0.000 1.933 318 A HA -0.083 4.236 4.320 -0.001 0.000 0.218 318 A C 1.910 179.661 177.584 0.279 0.000 1.175 318 A CA 1.718 53.809 52.037 0.089 0.000 0.628 318 A CB -0.780 18.202 19.000 -0.030 0.000 0.814 318 A HN 0.597 nan 8.150 nan 0.000 0.444 319 N N -0.584 118.215 118.700 0.165 0.000 2.550 319 N HA -0.028 4.711 4.740 -0.001 0.000 0.186 319 N C 0.908 176.459 175.510 0.069 0.000 1.110 319 N CA 0.503 53.621 53.050 0.115 0.000 0.912 319 N CB -0.015 38.450 38.487 -0.036 0.000 0.968 319 N HN 0.283 nan 8.380 nan 0.000 0.448 320 R N 0.238 120.811 120.500 0.120 0.000 2.509 320 R HA 0.129 4.468 4.340 -0.001 0.000 0.300 320 R C -0.441 175.954 176.300 0.158 0.000 0.985 320 R CA -0.302 55.862 56.100 0.106 0.000 1.092 320 R CB -0.189 30.144 30.300 0.054 0.000 1.237 320 R HN 0.070 nan 8.270 nan 0.000 0.546 321 D N 2.984 123.519 120.400 0.225 0.000 2.363 321 D HA -0.062 4.577 4.640 -0.001 0.000 0.263 321 D C 1.247 177.603 176.300 0.094 0.000 1.258 321 D CA 0.225 54.307 54.000 0.137 0.000 0.907 321 D CB 1.012 41.884 40.800 0.120 0.000 1.107 321 D HN 0.154 nan 8.370 nan 0.000 0.495 322 E N 3.325 123.558 120.200 0.055 0.000 2.409 322 E HA -0.193 4.156 4.350 -0.001 0.000 0.198 322 E C 0.300 176.884 176.600 -0.027 0.000 1.024 322 E CA 0.930 57.345 56.400 0.025 0.000 0.861 322 E CB -0.126 29.587 29.700 0.023 0.000 0.788 322 E HN 0.639 nan 8.360 nan 0.000 0.521 323 E N 0.394 120.563 120.200 -0.053 0.000 2.463 323 E HA 0.124 4.474 4.350 -0.001 0.000 0.193 323 E C 1.008 177.499 176.600 -0.181 0.000 1.041 323 E CA -0.023 56.323 56.400 -0.091 0.000 0.879 323 E CB 0.796 30.456 29.700 -0.067 0.000 0.997 323 E HN 0.106 nan 8.360 nan 0.000 0.478 324 V N -0.513 119.240 119.914 -0.267 0.000 3.102 324 V HA 0.118 4.237 4.120 -0.001 0.000 0.225 324 V C -0.213 175.476 176.094 -0.675 0.000 1.301 324 V CA 0.278 62.232 62.300 -0.575 0.000 1.308 324 V CB 0.466 31.742 31.823 -0.911 0.000 1.129 324 V HN 0.033 nan 8.190 nan 0.000 0.502 325 F N 2.406 122.290 119.950 -0.110 0.000 2.388 325 F HA 0.569 5.096 4.527 -0.000 0.000 0.358 325 F C 0.359 176.084 175.800 -0.126 0.000 1.122 325 F CA -1.492 56.424 58.000 -0.139 0.000 1.056 325 F CB 0.628 39.547 39.000 -0.136 0.000 1.155 325 F HN 0.178 nan 8.300 nan 0.000 0.461 326 E N 1.716 121.914 120.200 -0.004 0.000 2.414 326 E HA 0.030 4.379 4.350 -0.001 0.000 0.263 326 E C -0.250 176.336 176.600 -0.023 0.000 1.000 326 E CA -0.195 56.187 56.400 -0.030 0.000 0.914 326 E CB -0.125 29.539 29.700 -0.060 0.000 0.948 326 E HN 0.671 nan 8.360 nan 0.000 0.444 327 N N 3.173 121.867 118.700 -0.009 0.000 2.688 327 N HA -0.157 4.583 4.740 -0.001 0.000 0.258 327 N C -1.755 173.761 175.510 0.010 0.000 1.016 327 N CA 0.257 53.306 53.050 -0.001 0.000 0.747 327 N CB -0.286 38.190 38.487 -0.019 0.000 0.895 327 N HN 0.630 nan 8.380 nan 0.000 0.543 328 P HA -0.164 nan 4.420 nan 0.000 0.219 328 P C 0.231 177.582 177.300 0.086 0.000 1.146 328 P CA 1.346 64.484 63.100 0.062 0.000 0.808 328 P CB 0.191 31.954 31.700 0.106 0.000 0.779 329 D N -0.413 120.047 120.400 0.101 0.000 2.325 329 D HA 0.034 4.673 4.640 -0.001 0.000 0.225 329 D C 0.612 177.086 176.300 0.290 0.000 1.096 329 D CA 0.385 54.485 54.000 0.167 0.000 0.844 329 D CB 0.199 41.058 40.800 0.098 0.000 0.925 329 D HN 0.406 nan 8.370 nan 0.000 0.513 330 E N 0.572 120.879 120.200 0.178 0.000 2.171 330 E HA 0.170 4.519 4.350 -0.001 0.000 0.271 330 E C -1.123 175.421 176.600 -0.093 0.000 0.916 330 E CA -0.712 55.744 56.400 0.095 0.000 0.774 330 E CB 1.210 30.928 29.700 0.029 0.000 1.128 330 E HN -0.139 nan 8.360 nan 0.000 0.403 331 F N 5.096 124.738 119.950 -0.513 0.000 2.445 331 F HA 0.301 4.827 4.527 -0.002 0.000 0.359 331 F C -0.476 174.977 175.800 -0.579 0.000 1.101 331 F CA -0.232 57.238 58.000 -0.884 0.000 1.177 331 F CB 0.531 38.660 39.000 -1.452 0.000 1.110 331 F HN 0.391 nan 8.300 nan 0.000 0.522 332 N N 6.917 125.146 118.700 -0.785 0.000 2.594 332 N HA 0.114 4.854 4.740 -0.001 0.000 0.280 332 N C 0.229 175.445 175.510 -0.490 0.000 1.156 332 N CA -0.589 52.196 53.050 -0.442 0.000 0.831 332 N CB 0.973 39.292 38.487 -0.279 0.000 1.379 332 N HN 0.770 nan 8.380 nan 0.000 0.536 333 M N 0.587 119.995 119.600 -0.320 0.000 2.549 333 M HA 0.130 4.609 4.480 -0.001 0.000 0.260 333 M C -0.334 175.958 176.300 -0.013 0.000 1.076 333 M CA 1.153 56.378 55.300 -0.125 0.000 1.090 333 M CB 0.005 32.703 32.600 0.163 0.000 1.418 333 M HN 0.125 nan 8.290 nan 0.000 0.486 334 N N 2.218 120.883 118.700 -0.058 0.000 2.270 334 N HA 0.085 4.824 4.740 -0.001 0.000 0.198 334 N C -0.072 175.384 175.510 -0.089 0.000 1.117 334 N CA 0.033 53.069 53.050 -0.024 0.000 0.845 334 N CB -0.070 38.410 38.487 -0.011 0.000 0.980 334 N HN 0.624 nan 8.380 nan 0.000 0.486 335 R N 0.840 121.208 120.500 -0.221 0.000 2.734 335 R HA 0.165 4.504 4.340 -0.001 0.000 0.266 335 R C -0.357 175.755 176.300 -0.314 0.000 1.044 335 R CA 0.074 55.973 56.100 -0.334 0.000 1.128 335 R CB 0.582 30.537 30.300 -0.575 0.000 1.010 335 R HN -0.170 nan 8.270 nan 0.000 0.461 336 K N 2.654 122.916 120.400 -0.230 0.000 2.262 336 K HA 0.107 4.426 4.320 -0.001 0.000 0.282 336 K C -0.993 175.527 176.600 -0.133 0.000 1.066 336 K CA -0.277 55.957 56.287 -0.088 0.000 0.901 336 K CB 0.654 33.133 32.500 -0.035 0.000 1.089 336 K HN 0.424 nan 8.250 nan 0.000 0.476 337 W N 5.176 126.498 121.300 0.037 0.000 2.216 337 W HA 0.113 4.772 4.660 -0.002 0.000 0.326 337 W C -1.172 175.373 176.519 0.045 0.000 1.319 337 W CA -0.992 56.396 57.345 0.072 0.000 1.213 337 W CB -0.075 29.433 29.460 0.081 0.000 1.171 337 W HN 0.467 nan 8.180 nan 0.000 0.557 338 P HA 0.191 nan 4.420 nan 0.000 0.279 338 P C -1.772 175.586 177.300 0.097 0.000 1.282 338 P CA -0.869 62.268 63.100 0.062 0.000 0.788 338 P CB 0.689 32.319 31.700 -0.116 0.000 1.139 339 P HA -0.032 nan 4.420 nan 0.000 0.225 339 P C 0.079 177.408 177.300 0.047 0.000 1.156 339 P CA 0.983 64.109 63.100 0.043 0.000 0.787 339 P CB 0.278 31.988 31.700 0.016 0.000 0.802 340 Q N 1.207 120.979 119.800 -0.047 0.000 2.304 340 Q HA 0.184 4.523 4.340 -0.001 0.000 0.260 340 Q C -0.256 175.825 176.000 0.134 0.000 0.965 340 Q CA 0.205 55.961 55.803 -0.079 0.000 0.898 340 Q CB -0.182 28.242 28.738 -0.524 0.000 1.196 340 Q HN 0.031 nan 8.270 nan 0.000 0.402 341 D N 4.312 124.876 120.400 0.274 0.000 2.425 341 D HA 0.100 4.740 4.640 -0.001 0.000 0.247 341 D C -2.149 174.465 176.300 0.522 0.000 1.147 341 D CA -1.254 52.963 54.000 0.362 0.000 0.879 341 D CB 0.400 41.434 40.800 0.390 0.000 1.179 341 D HN 0.292 nan 8.370 nan 0.000 0.456 342 P HA 0.101 nan 4.420 nan 0.000 0.274 342 P C -0.076 177.394 177.300 0.284 0.000 1.231 342 P CA -0.226 63.136 63.100 0.436 0.000 0.790 342 P CB 0.876 32.700 31.700 0.206 0.000 0.951 343 L N 1.506 122.848 121.223 0.199 0.000 3.094 343 L HA 0.259 4.599 4.340 -0.001 0.000 0.254 343 L C 2.130 179.033 176.870 0.054 0.000 1.298 343 L CA -0.094 54.816 54.840 0.117 0.000 1.050 343 L CB -0.269 41.785 42.059 -0.008 0.000 1.420 343 L HN 0.484 nan 8.230 nan 0.000 0.548 344 G N 0.176 108.986 108.800 0.016 0.000 2.432 344 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.219 344 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.219 344 G C 0.932 175.610 174.900 -0.369 0.000 1.135 344 G CA 0.683 45.663 45.100 -0.199 0.000 0.767 344 G HN 0.343 nan 8.290 nan 0.000 0.550 345 F N 1.052 121.032 119.950 0.049 0.000 2.647 345 F HA 0.453 4.979 4.527 -0.002 0.000 0.300 345 F C 1.511 177.352 175.800 0.068 0.000 1.106 345 F CA 0.118 58.144 58.000 0.043 0.000 1.313 345 F CB 0.503 39.510 39.000 0.011 0.000 1.007 345 F HN 0.391 nan 8.300 nan 0.000 0.536 346 G N 0.798 109.713 108.800 0.192 0.000 2.615 346 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.218 346 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.218 346 G C -1.241 173.851 174.900 0.319 0.000 1.339 346 G CA -0.584 44.635 45.100 0.199 0.000 0.884 346 G HN 0.136 nan 8.290 nan 0.000 0.559 347 F N -0.186 119.800 119.950 0.060 0.000 2.719 347 F HA 0.645 5.171 4.527 -0.001 0.000 0.309 347 F C 0.784 176.609 175.800 0.042 0.000 1.138 347 F CA 1.558 59.585 58.000 0.044 0.000 0.943 347 F CB 1.342 40.348 39.000 0.010 0.000 1.304 347 F HN 2.530 nan 8.300 nan 0.000 0.445 348 G N 3.529 112.078 108.800 -0.418 0.000 2.642 348 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.231 348 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.231 348 G C 0.159 174.982 174.900 -0.129 0.000 1.338 348 G CA 0.170 45.121 45.100 -0.248 0.000 0.883 348 G HN 0.700 nan 8.290 nan 0.000 0.570 349 D N -0.293 120.045 120.400 -0.103 0.000 2.133 349 D HA -0.072 4.568 4.640 -0.001 0.000 0.195 349 D C 1.825 178.047 176.300 -0.130 0.000 0.997 349 D CA 1.749 55.676 54.000 -0.122 0.000 0.840 349 D CB -0.250 40.411 40.800 -0.231 0.000 0.947 349 D HN 0.553 nan 8.370 nan 0.000 0.452 350 H N -0.033 119.029 119.070 -0.013 0.000 2.536 350 H HA 0.115 4.670 4.556 -0.001 0.000 0.276 350 H C 0.553 175.936 175.328 0.093 0.000 1.019 350 H CA -0.196 55.883 56.048 0.052 0.000 1.159 350 H CB 0.090 29.840 29.762 -0.019 0.000 1.373 350 H HN 0.062 nan 8.280 nan 0.000 0.584 351 R N 1.036 121.611 120.500 0.126 0.000 2.537 351 R HA -0.045 4.295 4.340 -0.001 0.000 0.281 351 R C 0.008 176.371 176.300 0.104 0.000 0.988 351 R CA -0.072 56.096 56.100 0.114 0.000 1.077 351 R CB 0.153 30.476 30.300 0.039 0.000 0.932 351 R HN 0.250 nan 8.270 nan 0.000 0.409 352 C N 6.476 125.863 119.300 0.146 0.000 1.912 352 C HA -0.113 4.347 4.460 -0.001 0.000 0.414 352 C C 2.185 177.161 174.990 -0.024 0.000 1.545 352 C CA 0.128 59.218 59.018 0.119 0.000 1.468 352 C CB -1.610 26.299 27.740 0.282 0.000 2.697 352 C HN 0.984 nan 8.230 nan 0.000 0.597 353 I N 5.090 125.629 120.570 -0.051 0.000 2.454 353 I HA -0.074 4.096 4.170 -0.001 0.000 0.254 353 I C 1.994 177.946 176.117 -0.275 0.000 1.156 353 I CA 1.886 63.068 61.300 -0.197 0.000 1.433 353 I CB 0.096 37.906 38.000 -0.316 0.000 1.082 353 I HN 0.861 nan 8.210 nan 0.000 0.432 354 A N -0.219 122.472 122.820 -0.215 0.000 2.415 354 A HA 0.038 4.358 4.320 -0.001 0.000 0.248 354 A C 1.857 179.372 177.584 -0.115 0.000 1.299 354 A CA -0.045 51.972 52.037 -0.033 0.000 0.899 354 A CB -0.492 18.546 19.000 0.063 0.000 0.997 354 A HN 0.546 nan 8.150 nan 0.000 0.506 355 E N 0.089 120.060 120.200 -0.382 0.000 2.070 355 E HA -0.274 4.075 4.350 -0.001 0.000 0.197 355 E C 1.415 177.603 176.600 -0.687 0.000 1.004 355 E CA 1.680 57.536 56.400 -0.908 0.000 0.805 355 E CB -0.218 28.899 29.700 -0.971 0.000 0.744 355 E HN 0.772 nan 8.360 nan 0.000 0.451 356 H N -0.006 118.944 119.070 -0.199 0.000 2.357 356 H HA -0.128 4.427 4.556 -0.001 0.000 0.301 356 H C 2.304 177.611 175.328 -0.034 0.000 1.082 356 H CA 1.315 57.301 56.048 -0.103 0.000 1.342 356 H CB -0.459 29.284 29.762 -0.031 0.000 1.389 356 H HN 0.244 nan 8.280 nan 0.000 0.511 357 L N 1.198 122.504 121.223 0.139 0.000 2.017 357 L HA -0.050 4.290 4.340 -0.001 0.000 0.208 357 L C 2.592 179.524 176.870 0.104 0.000 1.073 357 L CA 1.871 56.800 54.840 0.148 0.000 0.745 357 L CB -0.919 41.288 42.059 0.246 0.000 0.894 357 L HN 0.177 nan 8.230 nan 0.000 0.432 358 A N -0.518 122.348 122.820 0.077 0.000 1.883 358 A HA -0.252 4.067 4.320 -0.001 0.000 0.217 358 A C 2.349 180.017 177.584 0.140 0.000 1.186 358 A CA 2.128 54.248 52.037 0.138 0.000 0.624 358 A CB -0.585 18.581 19.000 0.276 0.000 0.822 358 A HN 0.526 nan 8.150 nan 0.000 0.444 359 K N -0.499 119.926 120.400 0.040 0.000 2.148 359 K HA -0.024 4.295 4.320 -0.001 0.000 0.204 359 K C 2.268 178.937 176.600 0.114 0.000 1.050 359 K CA 0.979 57.319 56.287 0.088 0.000 0.942 359 K CB -0.276 32.218 32.500 -0.009 0.000 0.724 359 K HN 0.461 nan 8.250 nan 0.000 0.446 360 A N 1.669 124.543 122.820 0.091 0.000 1.898 360 A HA -0.181 4.138 4.320 -0.001 0.000 0.216 360 A C 1.872 179.513 177.584 0.096 0.000 1.181 360 A CA 1.321 53.413 52.037 0.092 0.000 0.620 360 A CB -0.286 18.761 19.000 0.079 0.000 0.819 360 A HN 0.270 nan 8.150 nan 0.000 0.442 361 E N -0.122 120.133 120.200 0.091 0.000 2.077 361 E HA -0.145 4.205 4.350 -0.001 0.000 0.193 361 E C 1.948 178.606 176.600 0.095 0.000 0.989 361 E CA 1.173 57.609 56.400 0.061 0.000 0.800 361 E CB -0.290 29.434 29.700 0.040 0.000 0.746 361 E HN 0.620 nan 8.360 nan 0.000 0.452 362 L N 0.567 121.900 121.223 0.184 0.000 2.056 362 L HA -0.145 4.195 4.340 -0.001 0.000 0.207 362 L C 2.571 179.687 176.870 0.410 0.000 1.078 362 L CA 1.139 56.181 54.840 0.337 0.000 0.749 362 L CB -0.492 41.804 42.059 0.395 0.000 0.901 362 L HN 0.144 nan 8.230 nan 0.000 0.433 363 T N -1.223 113.505 114.554 0.290 0.000 2.746 363 T HA -0.162 4.187 4.350 -0.001 0.000 0.267 363 T C 1.905 176.731 174.700 0.209 0.000 1.039 363 T CA 1.844 64.109 62.100 0.275 0.000 1.142 363 T CB -0.231 68.748 68.868 0.184 0.000 0.866 363 T HN 0.339 nan 8.240 nan 0.000 0.444 364 T N 1.857 116.490 114.554 0.131 0.000 2.708 364 T HA -0.071 4.278 4.350 -0.001 0.000 0.266 364 T C 2.190 176.916 174.700 0.043 0.000 1.037 364 T CA 0.892 63.034 62.100 0.071 0.000 1.146 364 T CB -0.577 68.310 68.868 0.032 0.000 0.865 364 T HN 0.127 nan 8.240 nan 0.000 0.435 365 V N 0.769 120.689 119.914 0.010 0.000 2.255 365 V HA -0.150 3.969 4.120 -0.001 0.000 0.247 365 V C 1.992 177.925 176.094 -0.268 0.000 1.051 365 V CA 1.752 63.977 62.300 -0.125 0.000 1.018 365 V CB -0.684 30.962 31.823 -0.295 0.000 0.641 365 V HN 0.481 nan 8.190 nan 0.000 0.445 366 F N 0.446 120.508 119.950 0.186 0.000 2.780 366 F HA -0.006 4.518 4.527 -0.004 0.000 0.299 366 F C 2.276 178.159 175.800 0.139 0.000 1.146 366 F CA 0.840 58.949 58.000 0.181 0.000 1.428 366 F CB -0.236 38.929 39.000 0.275 0.000 1.115 366 F HN 0.261 nan 8.300 nan 0.000 0.583 367 S N -2.665 113.153 115.700 0.196 0.000 2.524 367 S HA 0.064 4.534 4.470 -0.001 0.000 0.215 367 S C 1.349 175.984 174.600 0.057 0.000 0.986 367 S CA 0.534 58.817 58.200 0.138 0.000 0.911 367 S CB -0.183 63.090 63.200 0.121 0.000 0.805 367 S HN 0.174 nan 8.310 nan 0.000 0.501 368 T N 1.727 116.280 114.554 -0.002 0.000 3.058 368 T HA 0.275 4.625 4.350 -0.001 0.000 0.247 368 T C 1.398 175.980 174.700 -0.196 0.000 0.987 368 T CA 0.296 62.346 62.100 -0.084 0.000 1.062 368 T CB -0.400 68.417 68.868 -0.085 0.000 1.048 368 T HN 0.196 nan 8.240 nan 0.000 0.468 369 L N 1.351 122.402 121.223 -0.287 0.000 1.997 369 L HA -0.168 4.172 4.340 -0.001 0.000 0.216 369 L C 1.798 178.345 176.870 -0.538 0.000 1.074 369 L CA 2.091 56.607 54.840 -0.540 0.000 0.763 369 L CB -0.832 40.765 42.059 -0.769 0.000 0.890 369 L HN 0.331 nan 8.230 nan 0.000 0.434 370 Y N -1.638 118.612 120.300 -0.083 0.000 2.544 370 Y HA -0.003 4.552 4.550 0.010 0.000 0.286 370 Y C 2.533 178.397 175.900 -0.060 0.000 1.141 370 Y CA 0.393 58.471 58.100 -0.037 0.000 1.299 370 Y CB -0.277 38.178 38.460 -0.008 0.000 1.030 370 Y HN 0.294 nan 8.280 nan 0.000 0.543 371 Q N 0.376 120.168 119.800 -0.014 0.000 2.163 371 Q HA -0.114 4.225 4.340 -0.001 0.000 0.198 371 Q C 2.084 177.991 176.000 -0.156 0.000 0.954 371 Q CA 1.021 56.794 55.803 -0.049 0.000 0.851 371 Q CB 0.089 28.793 28.738 -0.056 0.000 0.928 371 Q HN 0.298 nan 8.270 nan 0.000 0.459 372 K N -0.386 119.821 120.400 -0.322 0.000 2.031 372 K HA -0.015 4.305 4.320 -0.001 0.000 0.205 372 K C -0.001 176.174 176.600 -0.708 0.000 1.049 372 K CA 0.954 56.867 56.287 -0.622 0.000 0.939 372 K CB 0.125 32.057 32.500 -0.948 0.000 0.717 372 K HN 0.015 nan 8.250 nan 0.000 0.438 373 F N 1.232 121.066 119.950 -0.195 0.000 2.564 373 F HA 0.302 4.825 4.527 -0.005 0.000 0.361 373 F C -1.775 174.032 175.800 0.011 0.000 1.161 373 F CA -2.098 55.824 58.000 -0.131 0.000 1.198 373 F CB 1.797 40.637 39.000 -0.266 0.000 1.424 373 F HN 0.020 nan 8.300 nan 0.000 0.517 374 P HA -0.146 nan 4.420 nan 0.000 0.222 374 P C 0.256 177.676 177.300 0.200 0.000 1.147 374 P CA 1.382 64.594 63.100 0.187 0.000 0.790 374 P CB 0.392 32.158 31.700 0.110 0.000 0.780 375 D N -0.394 120.130 120.400 0.208 0.000 2.388 375 D HA 0.099 4.739 4.640 -0.001 0.000 0.221 375 D C 0.641 177.048 176.300 0.179 0.000 1.133 375 D CA -0.426 53.672 54.000 0.163 0.000 0.831 375 D CB -0.098 40.777 40.800 0.125 0.000 0.962 375 D HN 0.141 nan 8.370 nan 0.000 0.502 376 L N 1.531 122.904 121.223 0.249 0.000 2.559 376 L HA 0.039 4.379 4.340 -0.001 0.000 0.274 376 L C -0.097 176.882 176.870 0.182 0.000 1.205 376 L CA 0.669 55.638 54.840 0.215 0.000 0.907 376 L CB 0.034 42.210 42.059 0.195 0.000 1.153 376 L HN -0.210 nan 8.230 nan 0.000 0.490 377 K N 3.710 124.172 120.400 0.104 0.000 2.464 377 K HA 0.473 4.792 4.320 -0.001 0.000 0.253 377 K C -1.335 175.289 176.600 0.040 0.000 0.933 377 K CA -1.053 55.276 56.287 0.069 0.000 0.801 377 K CB 2.252 34.771 32.500 0.032 0.000 1.271 377 K HN 0.295 nan 8.250 nan 0.000 0.430 378 V N 2.323 122.261 119.914 0.039 0.000 2.521 378 V HA 0.030 4.150 4.120 -0.001 0.000 0.286 378 V C 0.985 177.075 176.094 -0.007 0.000 1.034 378 V CA 0.271 62.581 62.300 0.017 0.000 1.045 378 V CB 0.906 32.740 31.823 0.018 0.000 0.974 378 V HN 1.000 nan 8.190 nan 0.000 0.480 379 A N 5.226 128.032 122.820 -0.024 0.000 2.276 379 A HA 0.419 4.739 4.320 -0.001 0.000 0.212 379 A C 0.526 178.091 177.584 -0.031 0.000 1.230 379 A CA 0.518 52.533 52.037 -0.036 0.000 0.844 379 A CB -0.380 18.586 19.000 -0.057 0.000 0.860 379 A HN 1.077 nan 8.150 nan 0.000 0.486 380 V N -5.027 114.873 119.914 -0.024 0.000 3.007 380 V HA 0.653 4.772 4.120 -0.001 0.000 0.311 380 V C -3.335 172.753 176.094 -0.010 0.000 1.120 380 V CA -2.866 59.422 62.300 -0.020 0.000 0.980 380 V CB 1.371 33.179 31.823 -0.024 0.000 1.033 380 V HN 0.034 nan 8.190 nan 0.000 0.429 381 P HA 0.246 nan 4.420 nan 0.000 0.264 381 P C 1.133 178.444 177.300 0.018 0.000 1.183 381 P CA 0.048 63.152 63.100 0.006 0.000 0.763 381 P CB 0.494 32.199 31.700 0.008 0.000 0.807 382 L N 2.045 123.283 121.223 0.026 0.000 2.127 382 L HA -0.160 4.180 4.340 -0.001 0.000 0.211 382 L C 2.405 179.335 176.870 0.099 0.000 1.089 382 L CA 1.933 56.805 54.840 0.053 0.000 0.757 382 L CB -1.153 40.935 42.059 0.050 0.000 0.899 382 L HN 0.593 nan 8.230 nan 0.000 0.434 383 G N -0.499 108.347 108.800 0.076 0.000 2.559 383 G HA2 -0.155 3.805 3.960 -0.001 0.000 0.216 383 G HA3 -0.155 3.805 3.960 -0.001 0.000 0.216 383 G C 1.510 176.470 174.900 0.101 0.000 1.126 383 G CA 0.255 45.409 45.100 0.090 0.000 0.778 383 G HN 0.156 nan 8.290 nan 0.000 0.543 384 K N 0.112 120.555 120.400 0.072 0.000 2.372 384 K HA 0.288 4.608 4.320 -0.001 0.000 0.200 384 K C 0.593 177.213 176.600 0.032 0.000 1.022 384 K CA -0.533 55.786 56.287 0.053 0.000 1.125 384 K CB 0.494 33.007 32.500 0.023 0.000 0.855 384 K HN 0.306 nan 8.250 nan 0.000 0.524 385 I N 2.309 122.893 120.570 0.024 0.000 2.815 385 I HA -0.144 4.026 4.170 -0.001 0.000 0.291 385 I C 0.845 176.866 176.117 -0.161 0.000 1.209 385 I CA -0.016 61.193 61.300 -0.153 0.000 1.431 385 I CB 0.125 37.888 38.000 -0.395 0.000 1.351 385 I HN -0.016 nan 8.210 nan 0.000 0.585 386 N N 6.311 124.900 118.700 -0.184 0.000 2.739 386 N HA 0.103 4.842 4.740 -0.001 0.000 0.266 386 N C -0.940 174.493 175.510 -0.129 0.000 1.168 386 N CA 0.077 53.072 53.050 -0.092 0.000 1.055 386 N CB -0.118 38.330 38.487 -0.065 0.000 1.393 386 N HN 0.236 nan 8.380 nan 0.000 0.514 387 Y N 0.019 120.315 120.300 -0.007 0.000 2.295 387 Y HA 0.179 4.728 4.550 -0.003 0.000 0.331 387 Y C 1.733 177.625 175.900 -0.014 0.000 1.311 387 Y CA -0.582 57.511 58.100 -0.012 0.000 1.430 387 Y CB 0.380 38.835 38.460 -0.009 0.000 1.339 387 Y HN 0.281 nan 8.280 nan 0.000 0.552 388 T N -0.585 114.073 114.554 0.174 0.000 2.813 388 T HA 0.250 4.600 4.350 -0.001 0.000 0.297 388 T C -2.521 172.218 174.700 0.066 0.000 1.036 388 T CA -1.747 60.401 62.100 0.080 0.000 1.044 388 T CB 0.382 69.282 68.868 0.054 0.000 0.993 388 T HN 0.251 nan 8.240 nan 0.000 0.535 389 P HA 0.090 nan 4.420 nan 0.000 0.265 389 P C 0.944 178.242 177.300 -0.003 0.000 1.187 389 P CA -0.077 63.029 63.100 0.010 0.000 0.766 389 P CB 0.255 31.951 31.700 -0.006 0.000 0.820 390 L N 2.136 123.351 121.223 -0.015 0.000 2.261 390 L HA -0.204 4.135 4.340 -0.001 0.000 0.216 390 L C 1.539 178.381 176.870 -0.046 0.000 1.114 390 L CA 1.560 56.379 54.840 -0.035 0.000 0.777 390 L CB -0.894 41.139 42.059 -0.043 0.000 0.910 390 L HN 0.492 nan 8.230 nan 0.000 0.440 391 N N -0.186 118.486 118.700 -0.047 0.000 2.449 391 N HA -0.020 4.720 4.740 -0.001 0.000 0.191 391 N C 0.420 175.882 175.510 -0.080 0.000 1.161 391 N CA 0.146 53.154 53.050 -0.070 0.000 0.863 391 N CB 0.167 38.615 38.487 -0.065 0.000 0.980 391 N HN 0.298 nan 8.380 nan 0.000 0.458 392 R N -0.739 119.729 120.500 -0.054 0.000 2.950 392 R HA 0.324 4.664 4.340 -0.001 0.000 0.253 392 R C -0.885 175.400 176.300 -0.025 0.000 1.168 392 R CA -0.946 55.127 56.100 -0.046 0.000 1.014 392 R CB 0.709 30.991 30.300 -0.031 0.000 1.228 392 R HN 0.083 nan 8.270 nan 0.000 0.487 393 D N 1.018 121.410 120.400 -0.013 0.000 2.423 393 D HA -0.015 4.624 4.640 -0.001 0.000 0.238 393 D C -0.240 176.073 176.300 0.022 0.000 1.142 393 D CA 0.242 54.247 54.000 0.009 0.000 0.884 393 D CB 1.205 42.010 40.800 0.009 0.000 1.199 393 D HN 0.029 nan 8.370 nan 0.000 0.438 394 V N 1.185 121.121 119.914 0.038 0.000 2.740 394 V HA 0.485 4.604 4.120 -0.001 0.000 0.303 394 V C 0.586 176.717 176.094 0.062 0.000 1.054 394 V CA 0.927 63.261 62.300 0.056 0.000 1.106 394 V CB 0.595 32.463 31.823 0.074 0.000 0.957 394 V HN 0.732 nan 8.190 nan 0.000 0.486 395 G N 5.452 114.315 108.800 0.104 0.000 2.430 395 G HA2 0.483 4.443 3.960 -0.001 0.000 0.300 395 G HA3 0.483 4.443 3.960 -0.001 0.000 0.300 395 G C -1.789 173.165 174.900 0.090 0.000 1.330 395 G CA -0.717 44.425 45.100 0.070 0.000 0.813 395 G HN 0.779 nan 8.290 nan 0.000 0.487 396 I N 0.762 121.326 120.570 -0.010 0.000 2.499 396 I HA 0.263 4.432 4.170 -0.001 0.000 0.288 396 I C 0.998 177.073 176.117 -0.069 0.000 1.048 396 I CA -0.847 60.391 61.300 -0.103 0.000 1.062 396 I CB 2.304 40.187 38.000 -0.195 0.000 1.238 396 I HN 0.287 nan 8.210 nan 0.000 0.426 397 V N 3.680 123.555 119.914 -0.064 0.000 2.323 397 V HA -0.138 3.981 4.120 -0.001 0.000 0.244 397 V C 0.242 176.306 176.094 -0.050 0.000 1.041 397 V CA 1.682 63.955 62.300 -0.044 0.000 1.025 397 V CB -0.740 31.064 31.823 -0.031 0.000 0.656 397 V HN 0.985 nan 8.190 nan 0.000 0.451 398 D N -1.881 118.479 120.400 -0.066 0.000 2.661 398 D HA 0.520 5.160 4.640 -0.001 0.000 0.228 398 D C -1.209 175.048 176.300 -0.072 0.000 1.210 398 D CA -0.576 53.391 54.000 -0.055 0.000 0.826 398 D CB 2.125 42.901 40.800 -0.041 0.000 1.542 398 D HN -0.027 nan 8.370 nan 0.000 0.447 399 L N 1.179 122.371 121.223 -0.051 0.000 2.529 399 L HA 0.493 4.832 4.340 -0.001 0.000 0.260 399 L C -2.876 173.975 176.870 -0.030 0.000 0.997 399 L CA -1.540 53.269 54.840 -0.052 0.000 0.885 399 L CB 1.839 43.874 42.059 -0.040 0.000 1.185 399 L HN 0.282 nan 8.230 nan 0.000 0.442 400 P HA 0.262 nan 4.420 nan 0.000 0.267 400 P C -1.077 176.204 177.300 -0.031 0.000 1.205 400 P CA 0.059 63.138 63.100 -0.035 0.000 0.765 400 P CB 0.938 32.613 31.700 -0.041 0.000 0.828 401 V N 2.059 121.954 119.914 -0.033 0.000 3.078 401 V HA 0.793 4.913 4.120 -0.001 0.000 0.311 401 V C -0.473 175.563 176.094 -0.097 0.000 1.138 401 V CA -1.189 61.095 62.300 -0.027 0.000 1.007 401 V CB 2.063 33.897 31.823 0.019 0.000 1.045 401 V HN 0.477 nan 8.190 nan 0.000 0.432 402 I N 0.354 120.848 120.570 -0.126 0.000 3.042 402 I HA 1.029 5.199 4.170 -0.001 0.000 0.310 402 I C -0.778 175.194 176.117 -0.242 0.000 1.117 402 I CA -0.917 60.175 61.300 -0.346 0.000 1.003 402 I CB 2.358 40.201 38.000 -0.263 0.000 1.228 402 I HN 0.938 nan 8.210 nan 0.000 0.443 403 F N 0.000 119.821 119.950 -0.215 0.000 2.286 403 F HA 0.000 4.524 4.527 -0.005 0.000 0.279 403 F CA 0.000 57.873 58.000 -0.211 0.000 1.383 403 F CB 0.000 38.675 39.000 -0.541 0.000 1.145 403 F HN 0.000 nan 8.300 nan 0.000 0.574