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 2hse_1_C DATA FIRST_RESID 1 DATA SEQUENCE ANPLYQKHII SINDLSRDDL NLVLATAAKL KANPQPELLK HKVIASCFFE DATA SEQUENCE ASTRTRLSFE TSMHRLGASV VGFSDSANTS LGKKGETLAD TISVISTYVD DATA SEQUENCE AIVMRHPQEG AARLATEFSG NVPVLNAGDG SNQHPTQTLL DLFTIQETQG DATA SEQUENCE RLDNLHVAMV GDLKYGRTVH SLTQALAKFD GNRFYFIAPD ALAMPQYILD DATA SEQUENCE MLDEKGIAWS LHSSIEEVMA EVDILYMTRV QKERLAPSEY ANVKAQFVLR DATA SEQUENCE ASDLHNAKAN MKVLHPLPRV DEIATDVDKT PHAWYFQQAG NGIFARQALL DATA SEQUENCE ALVLNRDLVL 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.567 177.584 -0.029 0.000 1.274 1 A CA 0.000 51.961 52.037 -0.126 0.000 0.836 1 A CB 0.000 18.926 19.000 -0.123 0.000 0.831 2 N N 1.672 120.366 118.700 -0.011 0.000 2.482 2 N HA 0.350 5.090 4.740 -0.000 0.000 0.260 2 N C -1.026 174.535 175.510 0.086 0.000 1.236 2 N CA -0.371 52.704 53.050 0.042 0.000 0.938 2 N CB 0.564 39.081 38.487 0.051 0.000 1.128 2 N HN 0.087 nan 8.380 nan 0.000 0.448 3 P HA -0.156 nan 4.420 nan 0.000 0.219 3 P C 0.680 178.025 177.300 0.074 0.000 1.146 3 P CA 0.942 64.081 63.100 0.065 0.000 0.808 3 P CB 0.171 31.899 31.700 0.047 0.000 0.779 4 L N -2.463 118.812 121.223 0.088 0.000 2.607 4 L HA 0.186 4.526 4.340 -0.000 0.000 0.228 4 L C 1.000 177.921 176.870 0.086 0.000 1.123 4 L CA -0.870 54.015 54.840 0.075 0.000 0.890 4 L CB -1.652 40.451 42.059 0.074 0.000 1.103 4 L HN -0.051 nan 8.230 nan 0.000 0.468 5 Y N 1.547 121.847 120.300 -0.000 0.000 2.721 5 Y HA -0.053 4.496 4.550 -0.000 0.000 0.329 5 Y C 1.007 176.890 175.900 -0.028 0.000 1.211 5 Y CA 0.223 58.318 58.100 -0.007 0.000 1.512 5 Y CB 0.284 38.742 38.460 -0.004 0.000 1.249 5 Y HN 0.244 nan 8.280 nan 0.000 0.549 6 Q N 2.017 121.428 119.800 -0.649 0.000 2.452 6 Q HA -0.265 4.075 4.340 -0.000 0.000 0.248 6 Q C -0.696 175.086 176.000 -0.363 0.000 0.874 6 Q CA 1.148 56.595 55.803 -0.593 0.000 1.208 6 Q CB -1.018 27.269 28.738 -0.752 0.000 1.569 6 Q HN 0.700 nan 8.270 nan 0.000 0.579 7 K N 0.922 121.183 120.400 -0.231 0.000 2.118 7 K HA 0.309 4.629 4.320 -0.000 0.000 0.267 7 K C 0.200 176.705 176.600 -0.157 0.000 0.991 7 K CA -0.599 55.576 56.287 -0.186 0.000 0.916 7 K CB 0.738 33.202 32.500 -0.060 0.000 1.041 7 K HN 0.102 nan 8.250 nan 0.000 0.455 8 H N 1.872 120.926 119.070 -0.026 0.000 2.629 8 H HA 0.179 4.735 4.556 -0.000 0.000 0.357 8 H C 0.098 175.431 175.328 0.007 0.000 1.121 8 H CA -0.003 56.036 56.048 -0.016 0.000 1.406 8 H CB 0.780 30.530 29.762 -0.019 0.000 1.456 8 H HN 0.245 nan 8.280 nan 0.000 0.579 9 I N 4.962 125.626 120.570 0.158 0.000 2.555 9 I HA 0.095 4.265 4.170 -0.000 0.000 0.275 9 I C 1.050 177.229 176.117 0.104 0.000 1.082 9 I CA 0.124 61.495 61.300 0.119 0.000 1.167 9 I CB 0.016 38.090 38.000 0.125 0.000 1.312 9 I HN 0.544 nan 8.210 nan 0.000 0.493 10 I N 1.416 122.035 120.570 0.082 0.000 3.194 10 I HA 0.096 4.266 4.170 -0.000 0.000 0.271 10 I C 0.947 177.099 176.117 0.059 0.000 1.150 10 I CA 0.607 61.938 61.300 0.050 0.000 1.440 10 I CB 0.470 38.474 38.000 0.007 0.000 1.276 10 I HN 0.413 nan 8.210 nan 0.000 0.457 11 S N 0.218 115.951 115.700 0.056 0.000 2.547 11 S HA 0.393 4.862 4.470 -0.000 0.000 0.281 11 S C 0.728 175.366 174.600 0.062 0.000 1.118 11 S CA -0.652 57.582 58.200 0.057 0.000 0.947 11 S CB 1.387 64.604 63.200 0.027 0.000 1.053 11 S HN 0.079 nan 8.310 nan 0.000 0.482 12 I N 3.859 124.474 120.570 0.075 0.000 2.423 12 I HA -0.094 4.076 4.170 -0.000 0.000 0.254 12 I C 2.182 178.328 176.117 0.049 0.000 1.151 12 I CA 1.166 62.509 61.300 0.072 0.000 1.421 12 I CB -1.464 36.586 38.000 0.083 0.000 1.079 12 I HN 0.702 nan 8.210 nan 0.000 0.431 13 N N 1.416 120.140 118.700 0.040 0.000 2.430 13 N HA -0.171 4.569 4.740 -0.000 0.000 0.186 13 N C 0.770 176.287 175.510 0.012 0.000 1.032 13 N CA 1.089 54.151 53.050 0.020 0.000 0.893 13 N CB -0.050 38.440 38.487 0.005 0.000 0.957 13 N HN 0.338 nan 8.380 nan 0.000 0.442 14 D N -0.666 119.746 120.400 0.021 0.000 2.424 14 D HA 0.111 4.751 4.640 -0.000 0.000 0.220 14 D C -0.505 175.809 176.300 0.023 0.000 1.150 14 D CA -0.074 53.937 54.000 0.019 0.000 0.831 14 D CB 0.529 41.344 40.800 0.025 0.000 0.981 14 D HN 0.117 nan 8.370 nan 0.000 0.500 15 L N 0.789 122.026 121.223 0.024 0.000 2.354 15 L HA 0.325 4.665 4.340 -0.000 0.000 0.269 15 L C 0.526 177.398 176.870 0.004 0.000 1.005 15 L CA -1.021 53.834 54.840 0.025 0.000 0.819 15 L CB 1.981 44.067 42.059 0.045 0.000 1.311 15 L HN -0.150 nan 8.230 nan 0.000 0.423 16 S N 1.338 117.036 115.700 -0.003 0.000 2.687 16 S HA 0.503 4.973 4.470 -0.000 0.000 0.283 16 S C 1.098 175.663 174.600 -0.059 0.000 1.170 16 S CA -0.439 57.740 58.200 -0.034 0.000 1.008 16 S CB 1.405 64.591 63.200 -0.024 0.000 1.026 16 S HN 0.646 nan 8.310 nan 0.000 0.541 17 R N 0.845 121.262 120.500 -0.138 0.000 2.113 17 R HA -0.184 4.156 4.340 -0.000 0.000 0.244 17 R C 1.105 177.368 176.300 -0.061 0.000 1.142 17 R CA 2.561 58.516 56.100 -0.241 0.000 0.953 17 R CB -0.939 29.144 30.300 -0.361 0.000 0.860 17 R HN 0.766 nan 8.270 nan 0.000 0.438 18 D N 0.646 121.030 120.400 -0.025 0.000 2.103 18 D HA -0.181 4.459 4.640 -0.000 0.000 0.190 18 D C 1.533 177.864 176.300 0.051 0.000 0.997 18 D CA 1.692 55.707 54.000 0.025 0.000 0.833 18 D CB -0.618 40.192 40.800 0.016 0.000 0.961 18 D HN 0.346 nan 8.370 nan 0.000 0.447 19 D N 0.484 120.908 120.400 0.041 0.000 2.133 19 D HA -0.154 4.486 4.640 -0.000 0.000 0.192 19 D C 2.427 178.776 176.300 0.082 0.000 1.001 19 D CA 0.589 54.623 54.000 0.057 0.000 0.844 19 D CB -0.469 40.360 40.800 0.048 0.000 0.944 19 D HN 0.254 nan 8.370 nan 0.000 0.447 20 L N 0.921 122.203 121.223 0.098 0.000 1.961 20 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 20 L C 1.904 178.880 176.870 0.176 0.000 1.072 20 L CA 1.657 56.587 54.840 0.151 0.000 0.749 20 L CB -0.724 41.460 42.059 0.209 0.000 0.889 20 L HN 0.059 nan 8.230 nan 0.000 0.432 21 N N 0.300 119.121 118.700 0.203 0.000 2.520 21 N HA -0.167 4.573 4.740 -0.000 0.000 0.185 21 N C 1.506 177.095 175.510 0.133 0.000 1.068 21 N CA 0.600 53.764 53.050 0.190 0.000 0.911 21 N CB -0.491 38.123 38.487 0.212 0.000 0.961 21 N HN 0.230 nan 8.380 nan 0.000 0.446 22 L N 0.345 121.633 121.223 0.108 0.000 2.072 22 L HA 0.069 4.408 4.340 -0.000 0.000 0.205 22 L C 2.000 178.917 176.870 0.079 0.000 1.079 22 L CA 1.040 55.929 54.840 0.083 0.000 0.752 22 L CB -0.653 41.447 42.059 0.069 0.000 0.906 22 L HN 0.149 nan 8.230 nan 0.000 0.436 23 V N -0.872 119.092 119.914 0.084 0.000 2.667 23 V HA -0.137 3.983 4.120 -0.000 0.000 0.252 23 V C 2.209 178.335 176.094 0.053 0.000 1.065 23 V CA 1.562 63.901 62.300 0.064 0.000 1.083 23 V CB -0.321 31.542 31.823 0.067 0.000 0.692 23 V HN 0.473 nan 8.190 nan 0.000 0.468 24 L N 0.393 121.681 121.223 0.109 0.000 2.109 24 L HA 0.059 4.399 4.340 -0.000 0.000 0.207 24 L C 2.986 179.949 176.870 0.155 0.000 1.086 24 L CA 1.437 56.378 54.840 0.168 0.000 0.760 24 L CB -1.069 41.147 42.059 0.262 0.000 0.910 24 L HN 0.455 nan 8.230 nan 0.000 0.437 25 A N 0.061 122.953 122.820 0.121 0.000 1.902 25 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 25 A C 2.360 179.984 177.584 0.067 0.000 1.181 25 A CA 2.308 54.405 52.037 0.100 0.000 0.623 25 A CB -0.853 18.195 19.000 0.081 0.000 0.818 25 A HN 0.353 nan 8.150 nan 0.000 0.443 26 T N 0.293 114.873 114.554 0.044 0.000 2.746 26 T HA -0.011 4.339 4.350 -0.000 0.000 0.267 26 T C 2.219 176.911 174.700 -0.013 0.000 1.039 26 T CA 1.521 63.634 62.100 0.022 0.000 1.142 26 T CB -0.446 68.437 68.868 0.025 0.000 0.866 26 T HN 0.600 nan 8.240 nan 0.000 0.444 27 A N 1.575 124.349 122.820 -0.077 0.000 1.883 27 A HA 0.100 4.420 4.320 -0.000 0.000 0.217 27 A C 2.666 180.145 177.584 -0.176 0.000 1.186 27 A CA 1.941 53.831 52.037 -0.245 0.000 0.624 27 A CB -1.196 17.401 19.000 -0.672 0.000 0.822 27 A HN 0.509 nan 8.150 nan 0.000 0.444 28 A N -0.482 122.353 122.820 0.024 0.000 1.902 28 A HA -0.161 4.158 4.320 -0.000 0.000 0.217 28 A C 2.135 179.740 177.584 0.036 0.000 1.181 28 A CA 1.871 54.003 52.037 0.158 0.000 0.623 28 A CB -0.384 18.747 19.000 0.219 0.000 0.818 28 A HN 0.366 nan 8.150 nan 0.000 0.443 29 K N -0.194 120.222 120.400 0.026 0.000 2.009 29 K HA -0.077 4.243 4.320 -0.000 0.000 0.210 29 K C 1.961 178.561 176.600 -0.001 0.000 1.049 29 K CA 1.411 57.706 56.287 0.014 0.000 0.929 29 K CB -0.827 31.686 32.500 0.022 0.000 0.714 29 K HN 0.550 nan 8.250 nan 0.000 0.440 30 L N 0.984 122.208 121.223 0.001 0.000 2.046 30 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 30 L C 2.653 179.525 176.870 0.004 0.000 1.077 30 L CA 1.330 56.186 54.840 0.027 0.000 0.747 30 L CB -0.401 41.697 42.059 0.064 0.000 0.896 30 L HN 0.199 nan 8.230 nan 0.000 0.432 31 K N 0.386 120.703 120.400 -0.140 0.000 2.097 31 K HA -0.172 4.147 4.320 -0.000 0.000 0.206 31 K C 2.025 178.489 176.600 -0.228 0.000 1.049 31 K CA 1.408 57.417 56.287 -0.462 0.000 0.933 31 K CB -0.054 31.823 32.500 -1.038 0.000 0.717 31 K HN 0.261 nan 8.250 nan 0.000 0.442 32 A N 0.530 123.278 122.820 -0.120 0.000 1.903 32 A HA -0.011 4.309 4.320 -0.000 0.000 0.213 32 A C 0.968 178.538 177.584 -0.023 0.000 1.185 32 A CA 0.851 52.852 52.037 -0.060 0.000 0.628 32 A CB -0.082 18.898 19.000 -0.034 0.000 0.830 32 A HN 0.344 nan 8.150 nan 0.000 0.446 33 N N 0.553 119.248 118.700 -0.009 0.000 2.696 33 N HA 0.330 5.070 4.740 -0.000 0.000 0.246 33 N C -3.285 172.240 175.510 0.024 0.000 1.057 33 N CA -1.466 51.590 53.050 0.009 0.000 0.867 33 N CB 1.194 39.687 38.487 0.010 0.000 1.141 33 N HN -0.006 nan 8.380 nan 0.000 0.517 34 P HA 0.137 nan 4.420 nan 0.000 0.271 34 P C -0.893 176.433 177.300 0.043 0.000 1.216 34 P CA 0.152 63.286 63.100 0.056 0.000 0.771 34 P CB 0.710 32.450 31.700 0.067 0.000 0.864 35 Q N 3.934 123.761 119.800 0.045 0.000 2.674 35 Q HA 0.212 4.551 4.340 -0.000 0.000 0.249 35 Q C -1.790 174.230 176.000 0.032 0.000 1.011 35 Q CA -1.519 54.304 55.803 0.034 0.000 0.734 35 Q CB 1.051 29.807 28.738 0.030 0.000 1.201 35 Q HN 0.331 nan 8.270 nan 0.000 0.498 36 P HA -0.221 nan 4.420 nan 0.000 0.218 36 P C -0.296 177.011 177.300 0.013 0.000 1.146 36 P CA 1.435 64.549 63.100 0.025 0.000 0.820 36 P CB 0.294 32.006 31.700 0.020 0.000 0.778 37 E N -1.829 118.373 120.200 0.003 0.000 3.306 37 E HA 0.127 4.477 4.350 -0.000 0.000 0.197 37 E C 0.917 177.506 176.600 -0.019 0.000 0.980 37 E CA -0.276 56.112 56.400 -0.020 0.000 1.259 37 E CB -0.107 29.570 29.700 -0.038 0.000 1.112 37 E HN 0.065 nan 8.360 nan 0.000 0.458 38 L N 0.640 121.865 121.223 0.003 0.000 2.187 38 L HA -0.100 4.240 4.340 -0.000 0.000 0.213 38 L C 0.471 177.347 176.870 0.011 0.000 1.100 38 L CA 1.870 56.718 54.840 0.013 0.000 0.765 38 L CB 0.040 42.115 42.059 0.028 0.000 0.904 38 L HN 0.269 nan 8.230 nan 0.000 0.437 39 L N -3.167 118.055 121.223 -0.002 0.000 2.669 39 L HA 0.293 4.633 4.340 -0.000 0.000 0.273 39 L C 0.943 177.784 176.870 -0.049 0.000 1.441 39 L CA -0.114 54.725 54.840 -0.003 0.000 0.745 39 L CB 0.235 42.308 42.059 0.024 0.000 1.044 39 L HN -0.191 nan 8.230 nan 0.000 0.523 40 K N 0.022 120.338 120.400 -0.140 0.000 2.113 40 K HA -0.118 4.202 4.320 -0.000 0.000 0.208 40 K C 0.775 177.139 176.600 -0.393 0.000 1.047 40 K CA 1.554 57.651 56.287 -0.317 0.000 0.928 40 K CB 0.069 32.259 32.500 -0.517 0.000 0.716 40 K HN 0.597 nan 8.250 nan 0.000 0.446 41 H N 0.244 119.335 119.070 0.035 0.000 2.490 41 H HA 0.232 4.788 4.556 -0.000 0.000 0.285 41 H C -0.590 174.758 175.328 0.033 0.000 1.127 41 H CA -0.236 55.831 56.048 0.033 0.000 0.993 41 H CB 0.320 30.100 29.762 0.030 0.000 1.653 41 H HN -0.012 nan 8.280 nan 0.000 0.557 42 K N 1.341 121.793 120.400 0.086 0.000 2.138 42 K HA 0.450 4.769 4.320 -0.000 0.000 0.263 42 K C -0.137 176.493 176.600 0.050 0.000 0.965 42 K CA -0.880 55.447 56.287 0.067 0.000 0.868 42 K CB 3.083 35.609 32.500 0.045 0.000 1.083 42 K HN -0.110 nan 8.250 nan 0.000 0.443 43 V N 4.622 124.563 119.914 0.045 0.000 2.407 43 V HA 0.435 4.555 4.120 -0.000 0.000 0.291 43 V C -0.088 176.014 176.094 0.014 0.000 1.018 43 V CA -0.765 61.555 62.300 0.032 0.000 0.842 43 V CB 1.156 33.007 31.823 0.046 0.000 0.996 43 V HN 0.575 nan 8.190 nan 0.000 0.426 44 I N 3.642 124.202 120.570 -0.016 0.000 2.441 44 I HA 0.732 4.902 4.170 -0.000 0.000 0.295 44 I C 0.464 176.544 176.117 -0.061 0.000 0.994 44 I CA -0.694 60.579 61.300 -0.044 0.000 1.144 44 I CB 1.980 39.934 38.000 -0.076 0.000 1.314 44 I HN 0.628 nan 8.210 nan 0.000 0.445 45 A N 4.007 126.787 122.820 -0.067 0.000 2.276 45 A HA 0.489 4.809 4.320 -0.000 0.000 0.300 45 A C -0.073 177.417 177.584 -0.157 0.000 1.235 45 A CA -0.290 51.691 52.037 -0.093 0.000 0.867 45 A CB 0.787 19.754 19.000 -0.054 0.000 1.137 45 A HN 0.620 nan 8.150 nan 0.000 0.527 46 S N 1.957 117.553 115.700 -0.172 0.000 2.474 46 S HA 0.429 4.898 4.470 -0.000 0.000 0.320 46 S C -0.699 173.746 174.600 -0.258 0.000 1.067 46 S CA -0.453 57.677 58.200 -0.116 0.000 1.127 46 S CB -0.497 62.684 63.200 -0.031 0.000 0.971 46 S HN 0.725 nan 8.310 nan 0.000 0.472 47 C N 6.418 125.518 119.300 -0.334 0.000 2.291 47 C HA 0.563 5.023 4.460 -0.000 0.000 0.322 47 C C -0.771 174.020 174.990 -0.331 0.000 1.205 47 C CA -0.907 57.680 59.018 -0.717 0.000 1.495 47 C CB -1.313 26.104 27.740 -0.539 0.000 2.127 47 C HN 0.805 nan 8.230 nan 0.000 0.452 48 F N 2.487 122.270 119.950 -0.279 0.000 2.402 48 F HA 0.459 4.986 4.527 -0.000 0.000 0.355 48 F C 0.427 176.251 175.800 0.040 0.000 1.123 48 F CA -0.967 57.042 58.000 0.015 0.000 1.021 48 F CB 0.736 39.743 39.000 0.013 0.000 1.160 48 F HN 0.522 nan 8.300 nan 0.000 0.451 49 F N 0.643 120.721 119.950 0.213 0.000 2.727 49 F HA 0.239 4.766 4.527 -0.000 0.000 0.302 49 F C 1.112 176.906 175.800 -0.011 0.000 1.097 49 F CA 0.011 58.056 58.000 0.074 0.000 1.330 49 F CB -0.041 38.884 39.000 -0.126 0.000 1.084 49 F HN 0.459 nan 8.300 nan 0.000 0.578 50 E N -0.159 120.177 120.200 0.225 0.000 3.508 50 E HA 0.792 5.142 4.350 -0.000 0.000 0.199 50 E C -0.813 175.882 176.600 0.158 0.000 0.811 50 E CA -0.745 55.741 56.400 0.143 0.000 1.314 50 E CB 1.229 31.004 29.700 0.125 0.000 1.856 50 E HN -0.050 nan 8.360 nan 0.000 0.373 51 A N 0.059 122.966 122.820 0.145 0.000 2.413 51 A HA 0.745 5.065 4.320 -0.000 0.000 0.307 51 A C -1.116 176.542 177.584 0.123 0.000 1.087 51 A CA -0.163 51.938 52.037 0.107 0.000 0.750 51 A CB 1.886 20.921 19.000 0.059 0.000 1.296 51 A HN 0.281 nan 8.150 nan 0.000 0.423 52 S N -1.065 114.663 115.700 0.047 0.000 2.678 52 S HA 0.509 4.979 4.470 -0.000 0.000 0.290 52 S C 0.216 174.775 174.600 -0.069 0.000 1.047 52 S CA 0.549 58.760 58.200 0.019 0.000 0.851 52 S CB 0.671 63.911 63.200 0.066 0.000 1.058 52 S HN 1.959 nan 8.310 nan 0.000 0.451 53 T N 2.211 116.748 114.554 -0.029 0.000 3.272 53 T HA 0.327 4.677 4.350 -0.000 0.000 0.247 53 T C 1.611 176.291 174.700 -0.033 0.000 0.990 53 T CA 0.175 62.247 62.100 -0.046 0.000 1.213 53 T CB -0.510 68.350 68.868 -0.014 0.000 1.124 53 T HN 0.526 nan 8.240 nan 0.000 0.401 54 R N 1.178 121.690 120.500 0.020 0.000 2.113 54 R HA -0.051 4.289 4.340 -0.000 0.000 0.231 54 R C 2.787 179.116 176.300 0.050 0.000 1.129 54 R CA 2.640 58.764 56.100 0.040 0.000 0.915 54 R CB -1.163 29.184 30.300 0.078 0.000 0.837 54 R HN 0.457 nan 8.270 nan 0.000 0.430 55 T N 0.385 115.017 114.554 0.131 0.000 2.665 55 T HA -0.242 4.108 4.350 -0.000 0.000 0.268 55 T C 1.797 176.647 174.700 0.249 0.000 1.035 55 T CA 1.819 64.064 62.100 0.243 0.000 1.151 55 T CB -0.272 68.863 68.868 0.445 0.000 0.862 55 T HN 0.320 nan 8.240 nan 0.000 0.438 56 R N 0.527 120.970 120.500 -0.095 0.000 2.090 56 R HA 0.086 4.426 4.340 -0.000 0.000 0.228 56 R C 2.380 178.599 176.300 -0.133 0.000 1.110 56 R CA 0.901 56.738 56.100 -0.439 0.000 0.973 56 R CB -0.294 29.166 30.300 -1.400 0.000 0.869 56 R HN 0.365 nan 8.270 nan 0.000 0.440 57 L N 0.759 121.919 121.223 -0.105 0.000 2.109 57 L HA -0.093 4.247 4.340 -0.000 0.000 0.207 57 L C 2.689 179.555 176.870 -0.005 0.000 1.086 57 L CA 1.353 56.163 54.840 -0.049 0.000 0.760 57 L CB -0.433 41.595 42.059 -0.051 0.000 0.910 57 L HN 0.349 nan 8.230 nan 0.000 0.437 58 S N -0.246 115.449 115.700 -0.009 0.000 2.368 58 S HA -0.196 4.273 4.470 -0.000 0.000 0.224 58 S C 2.004 176.598 174.600 -0.009 0.000 1.029 58 S CA 0.878 59.048 58.200 -0.050 0.000 0.988 58 S CB -0.926 62.213 63.200 -0.103 0.000 0.838 58 S HN 0.295 nan 8.310 nan 0.000 0.462 59 F N 2.309 122.258 119.950 -0.003 0.000 2.069 59 F HA -0.109 4.418 4.527 -0.000 0.000 0.298 59 F C 2.886 178.661 175.800 -0.043 0.000 1.113 59 F CA 1.827 59.833 58.000 0.010 0.000 1.214 59 F CB -0.179 38.876 39.000 0.092 0.000 0.978 59 F HN 0.273 nan 8.300 nan 0.000 0.474 60 E N -0.787 119.509 120.200 0.160 0.000 2.110 60 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 60 E C 1.990 178.555 176.600 -0.059 0.000 0.988 60 E CA 1.719 58.105 56.400 -0.024 0.000 0.804 60 E CB -0.313 29.367 29.700 -0.033 0.000 0.745 60 E HN 0.364 nan 8.360 nan 0.000 0.458 61 T N 0.666 115.246 114.554 0.043 0.000 2.746 61 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 61 T C 2.128 176.851 174.700 0.039 0.000 1.039 61 T CA 1.349 63.494 62.100 0.076 0.000 1.142 61 T CB -0.178 68.701 68.868 0.019 0.000 0.866 61 T HN 0.065 nan 8.240 nan 0.000 0.444 62 S N 1.483 117.191 115.700 0.013 0.000 2.359 62 S HA -0.075 4.395 4.470 -0.000 0.000 0.224 62 S C 2.119 176.734 174.600 0.026 0.000 1.035 62 S CA 1.305 59.512 58.200 0.012 0.000 1.018 62 S CB -0.421 62.795 63.200 0.027 0.000 0.876 62 S HN 0.447 nan 8.310 nan 0.000 0.448 63 M N 0.452 120.046 119.600 -0.010 0.000 2.108 63 M HA -0.151 4.329 4.480 -0.000 0.000 0.261 63 M C 2.033 178.294 176.300 -0.064 0.000 1.066 63 M CA 1.638 56.895 55.300 -0.071 0.000 1.107 63 M CB -0.634 31.857 32.600 -0.183 0.000 1.356 63 M HN 0.410 nan 8.290 nan 0.000 0.406 64 H N -0.429 118.657 119.070 0.026 0.000 2.357 64 H HA 0.028 4.584 4.556 -0.000 0.000 0.301 64 H C 2.097 177.431 175.328 0.009 0.000 1.082 64 H CA 0.809 56.864 56.048 0.011 0.000 1.342 64 H CB 0.077 29.842 29.762 0.005 0.000 1.389 64 H HN 0.234 nan 8.280 nan 0.000 0.511 65 R N 0.559 121.135 120.500 0.127 0.000 2.241 65 R HA -0.053 4.286 4.340 -0.000 0.000 0.224 65 R C 1.127 177.464 176.300 0.061 0.000 1.101 65 R CA 0.731 56.877 56.100 0.077 0.000 0.995 65 R CB 0.025 30.356 30.300 0.052 0.000 0.870 65 R HN 0.396 nan 8.270 nan 0.000 0.463 66 L N -0.381 120.876 121.223 0.056 0.000 2.728 66 L HA 0.224 4.564 4.340 -0.000 0.000 0.238 66 L C 0.870 177.757 176.870 0.029 0.000 1.143 66 L CA 0.135 54.999 54.840 0.041 0.000 0.937 66 L CB 0.463 42.545 42.059 0.039 0.000 1.225 66 L HN 0.339 nan 8.230 nan 0.000 0.507 67 G N 0.686 109.512 108.800 0.044 0.000 2.148 67 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.254 67 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.254 67 G C 0.370 175.285 174.900 0.024 0.000 0.981 67 G CA 0.270 45.387 45.100 0.028 0.000 0.670 67 G HN 0.500 nan 8.290 nan 0.000 0.528 68 A N -0.418 122.422 122.820 0.033 0.000 2.279 68 A HA 0.864 5.184 4.320 -0.000 0.000 0.303 68 A C 0.639 178.249 177.584 0.043 0.000 1.108 68 A CA 0.598 52.646 52.037 0.019 0.000 0.830 68 A CB 1.020 20.016 19.000 -0.007 0.000 1.106 68 A HN 0.889 nan 8.150 nan 0.000 0.493 69 S N -0.921 114.803 115.700 0.039 0.000 2.617 69 S HA 0.630 5.100 4.470 -0.000 0.000 0.283 69 S C -0.476 174.119 174.600 -0.007 0.000 1.189 69 S CA -0.459 57.779 58.200 0.063 0.000 1.036 69 S CB 1.355 64.597 63.200 0.070 0.000 1.014 69 S HN 0.640 nan 8.310 nan 0.000 0.522 70 V N 2.538 122.455 119.914 0.005 0.000 2.735 70 V HA 0.655 4.775 4.120 -0.000 0.000 0.310 70 V C 0.189 176.281 176.094 -0.003 0.000 1.061 70 V CA -0.720 61.554 62.300 -0.042 0.000 0.913 70 V CB 1.430 33.182 31.823 -0.118 0.000 1.005 70 V HN 0.790 nan 8.190 nan 0.000 0.428 71 V N 0.485 120.384 119.914 -0.026 0.000 4.781 71 V HA 1.141 5.261 4.120 -0.000 0.000 0.288 71 V C 0.595 176.651 176.094 -0.063 0.000 1.442 71 V CA -0.156 62.133 62.300 -0.018 0.000 0.846 71 V CB 0.495 32.317 31.823 -0.001 0.000 1.330 71 V HN 1.937 nan 8.190 nan 0.000 0.450 72 G N -0.146 108.603 108.800 -0.084 0.000 2.610 72 G HA2 0.280 4.240 3.960 -0.000 0.000 0.304 72 G HA3 0.280 4.240 3.960 -0.000 0.000 0.304 72 G C -1.143 173.653 174.900 -0.173 0.000 1.309 72 G CA -0.037 44.892 45.100 -0.284 0.000 0.906 72 G HN 2.311 nan 8.290 nan 0.000 0.521 73 F N -2.741 117.192 119.950 -0.028 0.000 2.668 73 F HA 0.777 5.304 4.527 -0.000 0.000 0.309 73 F C 0.763 176.538 175.800 -0.043 0.000 1.117 73 F CA -0.337 57.627 58.000 -0.060 0.000 0.951 73 F CB 1.176 40.106 39.000 -0.117 0.000 1.323 73 F HN 0.886 nan 8.300 nan 0.000 0.451 74 S N -1.279 114.546 115.700 0.208 0.000 2.535 74 S HA 0.194 4.663 4.470 -0.000 0.000 0.214 74 S C -0.367 174.328 174.600 0.158 0.000 0.980 74 S CA 0.507 58.785 58.200 0.130 0.000 0.907 74 S CB -0.504 62.705 63.200 0.014 0.000 0.790 74 S HN 0.901 nan 8.310 nan 0.000 0.510 75 D N 0.351 120.838 120.400 0.145 0.000 2.717 75 D HA 0.108 4.748 4.640 -0.000 0.000 0.223 75 D C -0.242 175.944 176.300 -0.190 0.000 1.240 75 D CA -0.305 53.704 54.000 0.015 0.000 0.801 75 D CB 1.387 42.189 40.800 0.004 0.000 1.556 75 D HN 0.067 nan 8.370 nan 0.000 0.462 76 S N 0.293 115.823 115.700 -0.283 0.000 2.605 76 S HA 0.243 4.713 4.470 -0.000 0.000 0.217 76 S C 1.787 176.240 174.600 -0.245 0.000 0.958 76 S CA 0.483 58.406 58.200 -0.462 0.000 0.919 76 S CB -0.010 63.036 63.200 -0.256 0.000 0.780 76 S HN 0.612 nan 8.310 nan 0.000 0.507 77 A N 2.649 125.380 122.820 -0.148 0.000 2.076 77 A HA -0.071 4.249 4.320 -0.000 0.000 0.220 77 A C 1.954 179.478 177.584 -0.100 0.000 1.160 77 A CA 1.385 53.367 52.037 -0.092 0.000 0.653 77 A CB -0.436 18.529 19.000 -0.058 0.000 0.801 77 A HN 0.643 nan 8.150 nan 0.000 0.455 78 N N -0.637 117.979 118.700 -0.141 0.000 2.184 78 N HA 0.027 4.767 4.740 -0.000 0.000 0.206 78 N C 0.427 175.850 175.510 -0.144 0.000 1.151 78 N CA 0.787 53.769 53.050 -0.114 0.000 0.878 78 N CB 0.420 38.860 38.487 -0.078 0.000 1.014 78 N HN 0.644 nan 8.380 nan 0.000 0.512 79 T N -1.973 112.437 114.554 -0.240 0.000 2.754 79 T HA 0.216 4.566 4.350 -0.000 0.000 0.286 79 T C 1.485 176.120 174.700 -0.108 0.000 0.997 79 T CA -0.337 61.624 62.100 -0.231 0.000 0.982 79 T CB 1.088 69.711 68.868 -0.409 0.000 1.027 79 T HN -0.172 nan 8.240 nan 0.000 0.529 80 S N -0.005 115.661 115.700 -0.057 0.000 2.428 80 S HA -0.012 4.458 4.470 -0.000 0.000 0.230 80 S C 1.805 176.392 174.600 -0.022 0.000 1.014 80 S CA 0.574 58.760 58.200 -0.024 0.000 0.957 80 S CB -0.633 62.568 63.200 0.002 0.000 0.784 80 S HN 0.651 nan 8.310 nan 0.000 0.499 81 L N 1.118 122.329 121.223 -0.020 0.000 2.478 81 L HA 0.173 4.513 4.340 -0.000 0.000 0.223 81 L C 1.828 178.693 176.870 -0.008 0.000 1.140 81 L CA 0.838 55.679 54.840 0.001 0.000 0.842 81 L CB -0.393 41.697 42.059 0.050 0.000 0.953 81 L HN 0.351 nan 8.230 nan 0.000 0.452 82 G N -0.895 107.882 108.800 -0.039 0.000 2.719 82 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.211 82 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.211 82 G C 1.458 176.337 174.900 -0.034 0.000 1.140 82 G CA -0.020 45.055 45.100 -0.041 0.000 0.790 82 G HN 0.149 nan 8.290 nan 0.000 0.529 83 K N -0.108 120.271 120.400 -0.034 0.000 2.474 83 K HA 0.182 4.502 4.320 -0.000 0.000 0.202 83 K C 1.415 178.004 176.600 -0.018 0.000 1.248 83 K CA 0.229 56.501 56.287 -0.025 0.000 0.946 83 K CB 0.646 33.129 32.500 -0.028 0.000 1.102 83 K HN 0.158 nan 8.250 nan 0.000 0.541 84 K N 0.291 120.681 120.400 -0.017 0.000 2.358 84 K HA 0.165 4.485 4.320 -0.000 0.000 0.200 84 K C 0.505 177.098 176.600 -0.011 0.000 1.030 84 K CA 0.468 56.748 56.287 -0.012 0.000 1.097 84 K CB 0.995 33.490 32.500 -0.009 0.000 0.862 84 K HN 0.227 nan 8.250 nan 0.000 0.534 85 G N 2.825 111.617 108.800 -0.013 0.000 2.160 85 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.251 85 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.251 85 G C -0.186 174.704 174.900 -0.017 0.000 1.008 85 G CA 0.377 45.469 45.100 -0.013 0.000 0.724 85 G HN 0.499 nan 8.290 nan 0.000 0.514 86 E N 1.209 121.400 120.200 -0.016 0.000 2.392 86 E HA 0.441 4.791 4.350 -0.000 0.000 0.264 86 E C 1.397 177.975 176.600 -0.036 0.000 1.024 86 E CA 0.168 56.554 56.400 -0.023 0.000 0.903 86 E CB 0.385 30.077 29.700 -0.013 0.000 0.963 86 E HN 0.449 nan 8.360 nan 0.000 0.432 87 T N 1.784 116.299 114.554 -0.065 0.000 2.813 87 T HA 0.004 4.354 4.350 -0.000 0.000 0.297 87 T C 1.092 175.712 174.700 -0.133 0.000 1.036 87 T CA -0.713 61.322 62.100 -0.107 0.000 1.044 87 T CB 0.807 69.585 68.868 -0.150 0.000 0.993 87 T HN 0.527 nan 8.240 nan 0.000 0.535 88 L N 1.700 122.812 121.223 -0.184 0.000 2.072 88 L HA 0.171 4.511 4.340 -0.000 0.000 0.205 88 L C 2.752 179.439 176.870 -0.304 0.000 1.079 88 L CA 2.170 56.878 54.840 -0.220 0.000 0.752 88 L CB -1.648 40.221 42.059 -0.317 0.000 0.906 88 L HN 0.938 nan 8.230 nan 0.000 0.436 89 A N -0.387 122.137 122.820 -0.492 0.000 1.884 89 A HA -0.295 4.025 4.320 -0.000 0.000 0.219 89 A C 2.032 179.265 177.584 -0.584 0.000 1.197 89 A CA 2.290 53.752 52.037 -0.958 0.000 0.637 89 A CB -1.082 17.106 19.000 -1.353 0.000 0.827 89 A HN 0.539 nan 8.150 nan 0.000 0.450 90 D N -0.965 119.239 120.400 -0.327 0.000 2.144 90 D HA -0.069 4.571 4.640 -0.000 0.000 0.199 90 D C 2.094 178.341 176.300 -0.089 0.000 0.984 90 D CA 1.719 55.628 54.000 -0.153 0.000 0.834 90 D CB -0.702 40.042 40.800 -0.093 0.000 0.955 90 D HN 0.439 nan 8.370 nan 0.000 0.465 91 T N 1.201 115.714 114.554 -0.068 0.000 2.684 91 T HA -0.112 4.238 4.350 -0.000 0.000 0.267 91 T C 1.918 176.633 174.700 0.025 0.000 1.036 91 T CA 0.548 62.663 62.100 0.026 0.000 1.148 91 T CB -0.024 68.912 68.868 0.113 0.000 0.863 91 T HN 0.089 nan 8.240 nan 0.000 0.436 92 I N 1.245 121.799 120.570 -0.026 0.000 2.315 92 I HA -0.073 4.097 4.170 -0.000 0.000 0.248 92 I C 2.652 178.767 176.117 -0.003 0.000 1.117 92 I CA 1.001 62.300 61.300 -0.003 0.000 1.404 92 I CB -1.351 36.635 38.000 -0.023 0.000 1.071 92 I HN 0.178 nan 8.210 nan 0.000 0.419 93 S N 0.840 116.530 115.700 -0.016 0.000 2.359 93 S HA -0.141 4.328 4.470 -0.000 0.000 0.224 93 S C 2.118 176.680 174.600 -0.064 0.000 1.035 93 S CA 1.875 60.088 58.200 0.021 0.000 1.018 93 S CB -0.268 62.960 63.200 0.047 0.000 0.876 93 S HN 0.468 nan 8.310 nan 0.000 0.448 94 V N -0.250 119.596 119.914 -0.114 0.000 2.535 94 V HA 0.102 4.222 4.120 -0.000 0.000 0.246 94 V C 1.845 177.610 176.094 -0.548 0.000 1.045 94 V CA 1.090 63.229 62.300 -0.268 0.000 1.058 94 V CB -0.846 30.867 31.823 -0.183 0.000 0.689 94 V HN 0.455 nan 8.190 nan 0.000 0.461 95 I N 2.684 123.082 120.570 -0.288 0.000 2.454 95 I HA -0.166 4.004 4.170 -0.000 0.000 0.254 95 I C 2.645 178.658 176.117 -0.173 0.000 1.156 95 I CA 1.773 62.953 61.300 -0.200 0.000 1.433 95 I CB -0.442 37.591 38.000 0.055 0.000 1.082 95 I HN 0.554 nan 8.210 nan 0.000 0.432 96 S N -0.469 115.149 115.700 -0.136 0.000 2.555 96 S HA -0.096 4.374 4.470 -0.000 0.000 0.230 96 S C 1.769 176.318 174.600 -0.086 0.000 0.978 96 S CA 1.014 59.175 58.200 -0.065 0.000 0.934 96 S CB -0.799 62.391 63.200 -0.016 0.000 0.766 96 S HN 0.593 nan 8.310 nan 0.000 0.533 97 T N -2.509 111.919 114.554 -0.211 0.000 3.060 97 T HA 0.238 4.588 4.350 -0.000 0.000 0.249 97 T C 0.987 175.698 174.700 0.018 0.000 1.079 97 T CA -0.184 61.838 62.100 -0.130 0.000 1.013 97 T CB -0.374 68.391 68.868 -0.171 0.000 0.975 97 T HN 0.411 nan 8.240 nan 0.000 0.518 98 Y N 1.722 122.039 120.300 0.028 0.000 2.535 98 Y HA 0.480 5.029 4.550 -0.000 0.000 0.266 98 Y C 1.161 177.073 175.900 0.018 0.000 1.088 98 Y CA -1.270 56.844 58.100 0.024 0.000 1.285 98 Y CB -0.061 38.415 38.460 0.027 0.000 1.166 98 Y HN 0.286 nan 8.280 nan 0.000 0.525 99 V N -2.818 117.193 119.914 0.161 0.000 3.046 99 V HA 0.485 4.605 4.120 -0.000 0.000 0.316 99 V C 0.314 176.437 176.094 0.048 0.000 1.104 99 V CA -0.843 61.511 62.300 0.091 0.000 1.006 99 V CB 2.203 34.067 31.823 0.067 0.000 1.058 99 V HN -0.035 nan 8.190 nan 0.000 0.440 100 D N 1.213 121.633 120.400 0.033 0.000 2.305 100 D HA 0.408 5.048 4.640 -0.000 0.000 0.206 100 D C 0.662 176.959 176.300 -0.006 0.000 0.974 100 D CA 1.630 55.640 54.000 0.016 0.000 0.871 100 D CB 0.977 41.792 40.800 0.025 0.000 0.947 100 D HN 1.008 nan 8.370 nan 0.000 0.516 101 A N 0.254 123.068 122.820 -0.010 0.000 2.594 101 A HA 0.595 4.915 4.320 -0.000 0.000 0.296 101 A C -1.591 175.966 177.584 -0.044 0.000 1.061 101 A CA -0.649 51.372 52.037 -0.026 0.000 0.689 101 A CB 1.083 20.060 19.000 -0.037 0.000 1.280 101 A HN 0.014 nan 8.150 nan 0.000 0.406 102 I N 1.888 122.429 120.570 -0.048 0.000 2.410 102 I HA 0.397 4.567 4.170 -0.000 0.000 0.286 102 I C -0.732 175.303 176.117 -0.137 0.000 1.009 102 I CA -0.932 60.322 61.300 -0.077 0.000 1.111 102 I CB 1.884 39.864 38.000 -0.033 0.000 1.262 102 I HN 0.336 nan 8.210 nan 0.000 0.443 103 V N 7.749 127.523 119.914 -0.233 0.000 2.407 103 V HA 0.518 4.638 4.120 -0.000 0.000 0.278 103 V C 0.069 175.969 176.094 -0.323 0.000 1.037 103 V CA -0.348 61.737 62.300 -0.358 0.000 0.900 103 V CB 1.352 32.775 31.823 -0.667 0.000 0.983 103 V HN 0.782 nan 8.190 nan 0.000 0.459 104 M N 4.778 124.193 119.600 -0.308 0.000 2.433 104 M HA 0.699 5.179 4.480 -0.000 0.000 0.290 104 M C -1.144 174.935 176.300 -0.369 0.000 1.173 104 M CA -0.742 54.357 55.300 -0.335 0.000 0.905 104 M CB 2.510 35.085 32.600 -0.041 0.000 1.692 104 M HN 0.462 nan 8.290 nan 0.000 0.462 105 R N 2.268 122.454 120.500 -0.523 0.000 2.480 105 R HA 0.527 4.867 4.340 -0.000 0.000 0.306 105 R C -1.846 174.497 176.300 0.072 0.000 0.958 105 R CA -0.383 55.546 56.100 -0.286 0.000 0.861 105 R CB 1.211 31.269 30.300 -0.404 0.000 1.171 105 R HN 0.932 nan 8.270 nan 0.000 0.445 106 H N 5.360 124.421 119.070 -0.015 0.000 2.851 106 H HA 0.282 4.838 4.556 -0.000 0.000 0.372 106 H C -2.178 173.149 175.328 -0.001 0.000 1.158 106 H CA -2.035 54.015 56.048 0.005 0.000 1.159 106 H CB 2.860 32.509 29.762 -0.187 0.000 1.757 106 H HN 0.380 nan 8.280 nan 0.000 0.546 107 P HA -0.103 nan 4.420 nan 0.000 0.222 107 P C -0.158 177.219 177.300 0.128 0.000 1.147 107 P CA 0.864 63.955 63.100 -0.015 0.000 0.790 107 P CB 0.859 32.484 31.700 -0.126 0.000 0.780 108 Q N 0.383 120.388 119.800 0.341 0.000 2.222 108 Q HA 0.309 4.649 4.340 -0.000 0.000 0.252 108 Q C -0.406 175.649 176.000 0.091 0.000 0.926 108 Q CA -0.347 55.558 55.803 0.170 0.000 0.899 108 Q CB 0.731 29.536 28.738 0.111 0.000 1.250 108 Q HN 0.010 nan 8.270 nan 0.000 0.441 109 E N 0.076 120.307 120.200 0.051 0.000 2.289 109 E HA 0.487 4.837 4.350 -0.000 0.000 0.278 109 E C 0.579 177.162 176.600 -0.028 0.000 1.032 109 E CA 0.731 57.147 56.400 0.027 0.000 0.854 109 E CB 0.769 30.496 29.700 0.045 0.000 1.046 109 E HN 0.755 nan 8.360 nan 0.000 0.409 110 G N 2.053 110.824 108.800 -0.049 0.000 2.195 110 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.224 110 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.224 110 G C 1.155 175.976 174.900 -0.133 0.000 0.990 110 G CA 0.318 45.370 45.100 -0.080 0.000 0.639 110 G HN 0.644 nan 8.290 nan 0.000 0.514 111 A N 0.532 123.233 122.820 -0.198 0.000 1.940 111 A HA 0.365 4.685 4.320 -0.000 0.000 0.219 111 A C 2.792 180.227 177.584 -0.248 0.000 1.176 111 A CA 2.832 54.657 52.037 -0.353 0.000 0.631 111 A CB -0.780 17.800 19.000 -0.700 0.000 0.814 111 A HN 1.808 nan 8.150 nan 0.000 0.446 112 A N -0.434 122.291 122.820 -0.160 0.000 1.873 112 A HA -0.105 4.214 4.320 -0.000 0.000 0.215 112 A C 2.174 179.678 177.584 -0.132 0.000 1.186 112 A CA 1.956 53.919 52.037 -0.124 0.000 0.616 112 A CB -0.449 18.506 19.000 -0.075 0.000 0.823 112 A HN 0.402 nan 8.150 nan 0.000 0.442 113 R N -0.089 120.343 120.500 -0.114 0.000 2.091 113 R HA -0.107 4.233 4.340 -0.000 0.000 0.238 113 R C 2.035 178.275 176.300 -0.101 0.000 1.136 113 R CA 1.585 57.619 56.100 -0.111 0.000 0.959 113 R CB -0.823 29.427 30.300 -0.083 0.000 0.856 113 R HN 0.488 nan 8.270 nan 0.000 0.437 114 L N -0.148 121.026 121.223 -0.082 0.000 2.083 114 L HA -0.062 4.278 4.340 -0.000 0.000 0.209 114 L C 1.868 178.775 176.870 0.062 0.000 1.083 114 L CA 2.322 57.157 54.840 -0.008 0.000 0.752 114 L CB -1.296 40.721 42.059 -0.069 0.000 0.899 114 L HN 0.299 nan 8.230 nan 0.000 0.433 115 A N 0.097 122.889 122.820 -0.048 0.000 1.908 115 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 115 A C 2.269 179.847 177.584 -0.010 0.000 1.181 115 A CA 2.649 54.672 52.037 -0.023 0.000 0.627 115 A CB -1.266 17.680 19.000 -0.089 0.000 0.818 115 A HN 0.663 nan 8.150 nan 0.000 0.445 116 T N -1.769 112.677 114.554 -0.181 0.000 2.977 116 T HA -0.108 4.242 4.350 -0.000 0.000 0.271 116 T C 1.174 175.780 174.700 -0.156 0.000 1.105 116 T CA 1.563 63.443 62.100 -0.368 0.000 1.116 116 T CB -0.450 67.906 68.868 -0.853 0.000 0.878 116 T HN 0.665 nan 8.240 nan 0.000 0.509 117 E N -0.340 119.805 120.200 -0.091 0.000 2.489 117 E HA 0.178 4.528 4.350 -0.000 0.000 0.193 117 E C -0.001 176.290 176.600 -0.515 0.000 1.057 117 E CA 0.194 56.439 56.400 -0.258 0.000 0.866 117 E CB 0.052 29.578 29.700 -0.289 0.000 0.916 117 E HN 0.657 nan 8.360 nan 0.000 0.500 118 F N -0.930 118.980 119.950 -0.068 0.000 2.880 118 F HA 0.093 4.620 4.527 -0.000 0.000 0.328 118 F C 1.412 177.186 175.800 -0.042 0.000 1.146 118 F CA -0.208 57.761 58.000 -0.052 0.000 1.135 118 F CB 0.891 39.855 39.000 -0.060 0.000 1.151 118 F HN -0.077 nan 8.300 nan 0.000 0.523 119 S N -1.380 114.379 115.700 0.098 0.000 2.539 119 S HA 0.515 4.985 4.470 -0.000 0.000 0.221 119 S C 1.544 176.178 174.600 0.056 0.000 0.987 119 S CA 0.206 58.451 58.200 0.076 0.000 0.929 119 S CB -0.079 63.172 63.200 0.084 0.000 0.832 119 S HN 0.513 nan 8.310 nan 0.000 0.492 120 G N 3.990 112.811 108.800 0.035 0.000 2.651 120 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.315 120 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.315 120 G C 0.434 175.345 174.900 0.018 0.000 1.258 120 G CA 0.505 45.613 45.100 0.014 0.000 1.002 120 G HN 0.618 nan 8.290 nan 0.000 0.551 121 N N 0.684 119.380 118.700 -0.008 0.000 2.434 121 N HA 0.150 4.890 4.740 -0.000 0.000 0.196 121 N C 0.185 175.664 175.510 -0.051 0.000 1.183 121 N CA 0.582 53.607 53.050 -0.041 0.000 0.849 121 N CB 0.838 39.301 38.487 -0.039 0.000 0.992 121 N HN 0.343 nan 8.380 nan 0.000 0.460 122 V N 3.677 123.591 119.914 -0.000 0.000 2.364 122 V HA 0.226 4.345 4.120 -0.000 0.000 0.272 122 V C -1.932 174.198 176.094 0.059 0.000 1.036 122 V CA -1.754 60.551 62.300 0.008 0.000 0.880 122 V CB 1.322 33.160 31.823 0.025 0.000 0.991 122 V HN 0.050 nan 8.190 nan 0.000 0.460 123 P HA 0.154 nan 4.420 nan 0.000 0.271 123 P C -0.630 176.762 177.300 0.153 0.000 1.226 123 P CA 0.112 63.203 63.100 -0.015 0.000 0.765 123 P CB 1.326 32.950 31.700 -0.128 0.000 0.835 124 V N 5.425 125.581 119.914 0.403 0.000 2.427 124 V HA 0.328 4.448 4.120 -0.000 0.000 0.286 124 V C 0.551 176.702 176.094 0.095 0.000 1.034 124 V CA -0.624 61.758 62.300 0.135 0.000 0.893 124 V CB 1.386 33.196 31.823 -0.023 0.000 0.982 124 V HN 0.381 nan 8.190 nan 0.000 0.452 125 L N 3.906 125.134 121.223 0.009 0.000 2.319 125 L HA 0.483 4.822 4.340 -0.000 0.000 0.281 125 L C -0.089 176.782 176.870 0.002 0.000 1.005 125 L CA -0.602 54.254 54.840 0.026 0.000 0.828 125 L CB 1.586 43.645 42.059 0.001 0.000 1.227 125 L HN 0.587 nan 8.230 nan 0.000 0.415 126 N N 2.582 121.314 118.700 0.053 0.000 2.402 126 N HA 0.170 4.910 4.740 -0.000 0.000 0.259 126 N C 0.653 176.224 175.510 0.102 0.000 1.167 126 N CA -0.017 53.057 53.050 0.040 0.000 0.949 126 N CB 1.488 40.003 38.487 0.047 0.000 1.212 126 N HN 0.701 nan 8.380 nan 0.000 0.493 127 A N 2.717 125.550 122.820 0.022 0.000 2.261 127 A HA 0.425 4.744 4.320 -0.000 0.000 0.208 127 A C 0.837 178.364 177.584 -0.095 0.000 1.223 127 A CA 0.340 52.429 52.037 0.086 0.000 0.833 127 A CB -0.941 18.011 19.000 -0.079 0.000 0.830 127 A HN 0.922 nan 8.150 nan 0.000 0.483 128 G N 0.779 109.532 108.800 -0.079 0.000 3.400 128 G HA2 0.240 4.200 3.960 -0.000 0.000 0.679 128 G HA3 0.240 4.200 3.960 -0.000 0.000 0.679 128 G C -1.300 173.578 174.900 -0.038 0.000 1.239 128 G CA -0.302 44.718 45.100 -0.133 0.000 1.049 128 G HN 0.571 nan 8.290 nan 0.000 0.539 129 D N 1.977 122.386 120.400 0.014 0.000 2.460 129 D HA 0.602 5.241 4.640 -0.000 0.000 0.232 129 D C 1.286 177.628 176.300 0.070 0.000 1.079 129 D CA 0.555 54.578 54.000 0.039 0.000 0.864 129 D CB 0.761 41.566 40.800 0.008 0.000 1.048 129 D HN 1.824 nan 8.370 nan 0.000 0.523 130 G N 3.211 112.063 108.800 0.087 0.000 2.611 130 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.301 130 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.301 130 G C 0.679 175.651 174.900 0.119 0.000 1.233 130 G CA 0.893 46.053 45.100 0.100 0.000 0.993 130 G HN 1.172 nan 8.290 nan 0.000 0.553 131 S N 0.524 116.330 115.700 0.177 0.000 2.575 131 S HA 0.305 4.775 4.470 -0.000 0.000 0.237 131 S C 1.169 175.948 174.600 0.298 0.000 0.975 131 S CA 0.916 59.259 58.200 0.238 0.000 0.960 131 S CB 0.594 64.035 63.200 0.402 0.000 0.822 131 S HN 0.810 nan 8.310 nan 0.000 0.472 132 N N 1.872 120.707 118.700 0.225 0.000 2.143 132 N HA 0.045 4.785 4.740 -0.000 0.000 0.190 132 N C 0.253 175.924 175.510 0.268 0.000 1.058 132 N CA 1.221 54.411 53.050 0.234 0.000 0.860 132 N CB 0.062 38.608 38.487 0.098 0.000 1.044 132 N HN 0.265 nan 8.380 nan 0.000 0.445 133 Q N -0.785 119.119 119.800 0.172 0.000 2.387 133 Q HA 0.222 4.562 4.340 -0.000 0.000 0.273 133 Q C -1.216 174.911 176.000 0.211 0.000 1.089 133 Q CA -0.437 55.474 55.803 0.181 0.000 0.824 133 Q CB 1.823 30.637 28.738 0.127 0.000 1.367 133 Q HN 0.512 nan 8.270 nan 0.000 0.443 134 H N 2.318 121.454 119.070 0.110 0.000 2.695 134 H HA 0.199 4.755 4.556 -0.000 0.000 0.222 134 H C -2.037 173.361 175.328 0.117 0.000 1.412 134 H CA -1.963 54.155 56.048 0.116 0.000 1.347 134 H CB 0.618 30.448 29.762 0.114 0.000 1.858 134 H HN 0.299 nan 8.280 nan 0.000 0.519 135 P HA -0.197 nan 4.420 nan 0.000 0.215 135 P C 1.461 178.840 177.300 0.132 0.000 1.157 135 P CA 2.256 65.456 63.100 0.166 0.000 0.874 135 P CB 0.003 31.797 31.700 0.157 0.000 0.790 136 T N -3.397 111.266 114.554 0.182 0.000 3.007 136 T HA -0.159 4.191 4.350 -0.000 0.000 0.270 136 T C 2.068 176.748 174.700 -0.034 0.000 1.107 136 T CA 1.203 63.359 62.100 0.093 0.000 1.118 136 T CB -0.694 68.245 68.868 0.118 0.000 0.889 136 T HN 0.054 nan 8.240 nan 0.000 0.506 137 Q N 2.191 121.869 119.800 -0.203 0.000 2.049 137 Q HA -0.073 4.266 4.340 -0.000 0.000 0.198 137 Q C 2.488 178.425 176.000 -0.104 0.000 0.971 137 Q CA 2.532 58.102 55.803 -0.389 0.000 0.833 137 Q CB -1.044 27.036 28.738 -1.096 0.000 0.896 137 Q HN 0.696 nan 8.270 nan 0.000 0.434 138 T N -1.356 113.170 114.554 -0.048 0.000 2.867 138 T HA -0.069 4.281 4.350 -0.000 0.000 0.268 138 T C 1.883 176.632 174.700 0.082 0.000 1.057 138 T CA 1.062 63.183 62.100 0.035 0.000 1.136 138 T CB -0.373 68.524 68.868 0.048 0.000 0.874 138 T HN 0.298 nan 8.240 nan 0.000 0.466 139 L N 0.678 121.946 121.223 0.075 0.000 2.012 139 L HA -0.050 4.289 4.340 -0.000 0.000 0.210 139 L C 2.705 179.654 176.870 0.132 0.000 1.073 139 L CA 1.917 56.817 54.840 0.100 0.000 0.748 139 L CB -0.692 41.408 42.059 0.068 0.000 0.891 139 L HN 0.411 nan 8.230 nan 0.000 0.431 140 L N -2.972 118.312 121.223 0.102 0.000 2.156 140 L HA -0.065 4.274 4.340 -0.000 0.000 0.208 140 L C 1.914 178.931 176.870 0.244 0.000 1.095 140 L CA 1.553 56.496 54.840 0.171 0.000 0.770 140 L CB -0.836 41.278 42.059 0.090 0.000 0.914 140 L HN 0.054 nan 8.230 nan 0.000 0.439 141 D N 0.890 121.402 120.400 0.185 0.000 2.084 141 D HA -0.142 4.498 4.640 -0.000 0.000 0.194 141 D C 2.349 178.759 176.300 0.183 0.000 0.990 141 D CA 1.938 56.064 54.000 0.210 0.000 0.826 141 D CB -0.281 40.634 40.800 0.192 0.000 0.971 141 D HN 0.420 nan 8.370 nan 0.000 0.453 142 L N -0.053 121.265 121.223 0.157 0.000 2.079 142 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 142 L C 2.413 179.370 176.870 0.146 0.000 1.081 142 L CA 0.696 55.606 54.840 0.116 0.000 0.752 142 L CB -0.410 41.730 42.059 0.136 0.000 0.896 142 L HN -0.019 nan 8.230 nan 0.000 0.433 143 F N 0.853 120.847 119.950 0.073 0.000 2.146 143 F HA -0.204 4.323 4.527 -0.000 0.000 0.298 143 F C 2.482 178.342 175.800 0.099 0.000 1.096 143 F CA 1.948 59.998 58.000 0.083 0.000 1.275 143 F CB -0.538 38.529 39.000 0.111 0.000 1.008 143 F HN -0.082 nan 8.300 nan 0.000 0.480 144 T N 1.475 116.088 114.554 0.099 0.000 2.746 144 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 144 T C 2.158 176.850 174.700 -0.014 0.000 1.039 144 T CA 1.901 64.046 62.100 0.075 0.000 1.142 144 T CB -0.416 68.609 68.868 0.262 0.000 0.866 144 T HN 0.241 nan 8.240 nan 0.000 0.444 145 I N 0.805 121.374 120.570 -0.002 0.000 2.090 145 I HA -0.214 3.956 4.170 -0.000 0.000 0.236 145 I C 2.821 178.857 176.117 -0.135 0.000 1.064 145 I CA 1.311 62.576 61.300 -0.059 0.000 1.324 145 I CB -0.473 37.501 38.000 -0.042 0.000 1.044 145 I HN 0.160 nan 8.210 nan 0.000 0.399 146 Q N 1.232 120.945 119.800 -0.145 0.000 2.142 146 Q HA -0.305 4.035 4.340 -0.000 0.000 0.213 146 Q C 1.923 177.799 176.000 -0.207 0.000 1.004 146 Q CA 2.145 57.846 55.803 -0.170 0.000 0.883 146 Q CB -0.243 28.414 28.738 -0.134 0.000 0.939 146 Q HN 0.454 nan 8.270 nan 0.000 0.413 147 E N -1.343 118.683 120.200 -0.289 0.000 2.007 147 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 147 E C 1.951 178.423 176.600 -0.214 0.000 0.999 147 E CA 1.967 58.199 56.400 -0.280 0.000 0.811 147 E CB -0.163 29.344 29.700 -0.321 0.000 0.762 147 E HN 0.727 nan 8.360 nan 0.000 0.450 148 T N -1.262 113.143 114.554 -0.249 0.000 2.867 148 T HA -0.130 4.220 4.350 -0.000 0.000 0.268 148 T C 1.824 176.374 174.700 -0.250 0.000 1.057 148 T CA 1.018 62.912 62.100 -0.344 0.000 1.136 148 T CB -0.026 68.515 68.868 -0.544 0.000 0.874 148 T HN -0.055 nan 8.240 nan 0.000 0.466 149 Q N 0.502 120.186 119.800 -0.194 0.000 2.378 149 Q HA 0.405 4.745 4.340 -0.000 0.000 0.216 149 Q C 1.668 177.593 176.000 -0.125 0.000 0.892 149 Q CA 0.738 56.452 55.803 -0.149 0.000 0.931 149 Q CB 0.082 28.740 28.738 -0.132 0.000 1.086 149 Q HN 0.716 nan 8.270 nan 0.000 0.528 150 G N 1.472 110.193 108.800 -0.131 0.000 2.179 150 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.257 150 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.257 150 G C -0.177 174.664 174.900 -0.098 0.000 1.010 150 G CA 0.721 45.758 45.100 -0.106 0.000 0.736 150 G HN 0.355 nan 8.290 nan 0.000 0.513 151 R N -2.112 118.314 120.500 -0.124 0.000 2.709 151 R HA 0.576 4.916 4.340 -0.000 0.000 0.270 151 R C -0.465 175.710 176.300 -0.209 0.000 1.038 151 R CA -1.082 54.937 56.100 -0.135 0.000 0.872 151 R CB 0.335 30.574 30.300 -0.102 0.000 1.259 151 R HN 0.230 nan 8.270 nan 0.000 0.473 152 L N 0.079 121.124 121.223 -0.297 0.000 3.135 152 L HA 0.345 4.684 4.340 -0.000 0.000 0.279 152 L C -0.550 176.102 176.870 -0.364 0.000 1.200 152 L CA -0.231 54.296 54.840 -0.521 0.000 1.016 152 L CB 0.581 41.936 42.059 -1.174 0.000 1.391 152 L HN 0.556 nan 8.230 nan 0.000 0.588 153 D N 0.570 120.873 120.400 -0.163 0.000 2.385 153 D HA 0.134 4.774 4.640 -0.000 0.000 0.254 153 D C 0.177 176.427 176.300 -0.083 0.000 1.053 153 D CA -0.422 53.552 54.000 -0.043 0.000 0.992 153 D CB 0.858 41.662 40.800 0.007 0.000 1.145 153 D HN 0.071 nan 8.370 nan 0.000 0.523 154 N N 0.069 118.726 118.700 -0.071 0.000 2.953 154 N HA -0.223 4.517 4.740 -0.000 0.000 0.293 154 N C -0.842 174.542 175.510 -0.210 0.000 1.029 154 N CA 0.558 53.523 53.050 -0.141 0.000 0.860 154 N CB -1.181 37.247 38.487 -0.099 0.000 0.940 154 N HN 0.287 nan 8.380 nan 0.000 0.610 155 L N 0.267 121.337 121.223 -0.254 0.000 2.334 155 L HA 0.372 4.712 4.340 -0.000 0.000 0.272 155 L C 0.581 177.241 176.870 -0.351 0.000 1.020 155 L CA -0.979 53.721 54.840 -0.233 0.000 0.812 155 L CB 1.118 43.069 42.059 -0.181 0.000 1.264 155 L HN 0.413 nan 8.230 nan 0.000 0.439 156 H N 2.189 121.222 119.070 -0.062 0.000 2.724 156 H HA 0.307 4.863 4.556 -0.000 0.000 0.278 156 H C -0.898 174.462 175.328 0.052 0.000 1.159 156 H CA -0.227 55.854 56.048 0.054 0.000 1.254 156 H CB 1.123 30.969 29.762 0.139 0.000 1.412 156 H HN 0.140 nan 8.280 nan 0.000 0.488 157 V N 2.596 122.517 119.914 0.011 0.000 2.435 157 V HA 0.533 4.653 4.120 -0.000 0.000 0.290 157 V C 0.308 176.555 176.094 0.255 0.000 1.030 157 V CA -0.799 61.520 62.300 0.031 0.000 0.881 157 V CB 1.525 33.227 31.823 -0.202 0.000 0.983 157 V HN 0.804 nan 8.190 nan 0.000 0.445 158 A N 5.887 128.873 122.820 0.275 0.000 2.331 158 A HA 0.919 5.238 4.320 -0.000 0.000 0.320 158 A C -0.700 177.066 177.584 0.304 0.000 1.138 158 A CA -0.620 51.617 52.037 0.333 0.000 0.790 158 A CB 1.152 20.264 19.000 0.186 0.000 1.206 158 A HN 0.805 nan 8.150 nan 0.000 0.470 159 M N 2.845 122.667 119.600 0.370 0.000 2.181 159 M HA 0.455 4.935 4.480 -0.000 0.000 0.323 159 M C -0.865 175.538 176.300 0.173 0.000 1.004 159 M CA -0.292 55.184 55.300 0.293 0.000 0.941 159 M CB 1.890 34.648 32.600 0.263 0.000 1.579 159 M HN 0.437 nan 8.290 nan 0.000 0.427 160 V N 2.319 122.286 119.914 0.088 0.000 2.881 160 V HA 0.989 5.108 4.120 -0.000 0.000 0.316 160 V C 0.626 176.726 176.094 0.010 0.000 1.070 160 V CA -0.051 62.227 62.300 -0.036 0.000 0.976 160 V CB 1.348 33.115 31.823 -0.093 0.000 1.038 160 V HN 1.074 nan 8.190 nan 0.000 0.446 161 G N 2.213 111.051 108.800 0.064 0.000 2.527 161 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.227 161 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.227 161 G C -0.340 174.641 174.900 0.135 0.000 1.291 161 G CA 0.112 45.315 45.100 0.171 0.000 0.904 161 G HN 0.920 nan 8.290 nan 0.000 0.577 162 D N 1.425 121.894 120.400 0.114 0.000 2.357 162 D HA 0.277 4.916 4.640 -0.000 0.000 0.265 162 D C 1.748 178.076 176.300 0.048 0.000 1.334 162 D CA 0.093 54.158 54.000 0.108 0.000 0.984 162 D CB -0.195 40.691 40.800 0.142 0.000 1.077 162 D HN 0.442 nan 8.370 nan 0.000 0.514 163 L N 3.202 124.425 121.223 -0.001 0.000 2.529 163 L HA 0.068 4.408 4.340 -0.000 0.000 0.223 163 L C 2.330 179.168 176.870 -0.053 0.000 1.113 163 L CA 0.060 54.850 54.840 -0.083 0.000 0.861 163 L CB -0.040 41.903 42.059 -0.194 0.000 1.012 163 L HN 0.301 nan 8.230 nan 0.000 0.461 164 K N 0.490 120.854 120.400 -0.061 0.000 2.031 164 K HA -0.139 4.181 4.320 -0.000 0.000 0.205 164 K C 1.593 178.125 176.600 -0.113 0.000 1.049 164 K CA 1.494 57.690 56.287 -0.151 0.000 0.939 164 K CB 0.004 32.278 32.500 -0.376 0.000 0.717 164 K HN 0.149 nan 8.250 nan 0.000 0.438 165 Y N 0.112 120.458 120.300 0.076 0.000 2.466 165 Y HA 0.246 4.797 4.550 0.000 0.000 0.272 165 Y C 0.914 176.752 175.900 -0.103 0.000 1.169 165 Y CA -0.006 58.123 58.100 0.049 0.000 1.285 165 Y CB 0.517 39.010 38.460 0.055 0.000 1.078 165 Y HN 0.046 nan 8.280 nan 0.000 0.523 166 G N 1.414 110.129 108.800 -0.142 0.000 2.605 166 G HA2 0.121 4.081 3.960 -0.000 0.000 0.301 166 G HA3 0.121 4.081 3.960 -0.000 0.000 0.301 166 G C 0.922 175.468 174.900 -0.590 0.000 0.881 166 G CA -0.576 44.385 45.100 -0.231 0.000 1.553 166 G HN 0.512 nan 8.290 nan 0.000 0.483 167 R N 1.364 121.702 120.500 -0.269 0.000 2.159 167 R HA -0.163 4.177 4.340 -0.000 0.000 0.237 167 R C 2.290 178.597 176.300 0.012 0.000 1.131 167 R CA 1.776 57.812 56.100 -0.107 0.000 0.982 167 R CB -1.098 29.272 30.300 0.118 0.000 0.868 167 R HN 0.502 nan 8.270 nan 0.000 0.453 168 T N 0.557 115.151 114.554 0.067 0.000 2.652 168 T HA -0.155 4.195 4.350 -0.000 0.000 0.267 168 T C 2.158 176.854 174.700 -0.006 0.000 1.039 168 T CA 1.748 63.913 62.100 0.109 0.000 1.153 168 T CB -0.781 68.219 68.868 0.220 0.000 0.863 168 T HN 0.281 nan 8.240 nan 0.000 0.428 169 V N -0.756 119.112 119.914 -0.078 0.000 3.041 169 V HA 0.054 4.174 4.120 -0.000 0.000 0.260 169 V C 2.262 178.329 176.094 -0.044 0.000 1.105 169 V CA 1.082 63.302 62.300 -0.134 0.000 1.125 169 V CB -1.421 30.322 31.823 -0.133 0.000 0.730 169 V HN 0.614 nan 8.190 nan 0.000 0.479 170 H N 1.079 120.117 119.070 -0.054 0.000 2.276 170 H HA -0.083 4.473 4.556 -0.000 0.000 0.301 170 H C 2.685 178.007 175.328 -0.010 0.000 1.073 170 H CA 1.558 57.579 56.048 -0.044 0.000 1.311 170 H CB -0.060 29.734 29.762 0.054 0.000 1.379 170 H HN 0.443 nan 8.280 nan 0.000 0.494 171 S N 0.689 116.489 115.700 0.167 0.000 2.382 171 S HA -0.124 4.346 4.470 -0.000 0.000 0.228 171 S C 2.078 176.717 174.600 0.066 0.000 1.027 171 S CA 0.820 59.088 58.200 0.115 0.000 0.991 171 S CB -0.210 63.066 63.200 0.127 0.000 0.823 171 S HN 0.168 nan 8.310 nan 0.000 0.469 172 L N 1.675 122.906 121.223 0.015 0.000 2.109 172 L HA -0.012 4.328 4.340 -0.000 0.000 0.207 172 L C 2.117 179.015 176.870 0.047 0.000 1.086 172 L CA 1.763 56.598 54.840 -0.008 0.000 0.760 172 L CB -1.210 40.746 42.059 -0.171 0.000 0.910 172 L HN 0.180 nan 8.230 nan 0.000 0.437 173 T N -0.730 113.824 114.554 -0.001 0.000 2.904 173 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 173 T C 1.759 176.425 174.700 -0.056 0.000 1.059 173 T CA 1.397 63.461 62.100 -0.061 0.000 1.137 173 T CB -0.105 68.617 68.868 -0.243 0.000 0.879 173 T HN 0.499 nan 8.240 nan 0.000 0.467 174 Q N 0.874 120.670 119.800 -0.008 0.000 2.079 174 Q HA 0.037 4.377 4.340 -0.000 0.000 0.200 174 Q C 2.747 178.786 176.000 0.065 0.000 0.974 174 Q CA 1.341 57.153 55.803 0.014 0.000 0.840 174 Q CB -0.307 28.453 28.738 0.038 0.000 0.898 174 Q HN 0.547 nan 8.270 nan 0.000 0.430 175 A N 1.008 123.896 122.820 0.112 0.000 1.873 175 A HA -0.141 4.179 4.320 -0.000 0.000 0.215 175 A C 1.997 179.770 177.584 0.314 0.000 1.186 175 A CA 0.975 53.118 52.037 0.178 0.000 0.616 175 A CB -0.480 18.638 19.000 0.196 0.000 0.823 175 A HN 0.225 nan 8.150 nan 0.000 0.442 176 L N -0.329 121.105 121.223 0.352 0.000 2.187 176 L HA -0.090 4.250 4.340 -0.000 0.000 0.213 176 L C 2.656 179.825 176.870 0.498 0.000 1.100 176 L CA 1.602 56.733 54.840 0.486 0.000 0.765 176 L CB -1.144 41.230 42.059 0.524 0.000 0.904 176 L HN 0.428 nan 8.230 nan 0.000 0.437 177 A N -1.614 121.401 122.820 0.325 0.000 2.238 177 A HA -0.071 4.249 4.320 -0.000 0.000 0.208 177 A C 2.029 179.670 177.584 0.095 0.000 1.177 177 A CA 0.489 52.650 52.037 0.206 0.000 0.804 177 A CB -0.350 18.687 19.000 0.062 0.000 0.823 177 A HN 0.367 nan 8.150 nan 0.000 0.482 178 K N -1.208 119.204 120.400 0.020 0.000 2.404 178 K HA 0.216 4.536 4.320 -0.000 0.000 0.194 178 K C -0.756 175.607 176.600 -0.395 0.000 1.023 178 K CA 0.017 56.176 56.287 -0.214 0.000 1.094 178 K CB 0.180 32.475 32.500 -0.342 0.000 0.841 178 K HN 0.450 nan 8.250 nan 0.000 0.523 179 F N 1.171 121.160 119.950 0.064 0.000 2.457 179 F HA 0.212 4.738 4.527 -0.000 0.000 0.330 179 F C 0.600 176.425 175.800 0.040 0.000 1.069 179 F CA -1.105 56.923 58.000 0.046 0.000 1.009 179 F CB 0.773 39.797 39.000 0.040 0.000 1.276 179 F HN -0.147 nan 8.300 nan 0.000 0.492 180 D N -0.230 120.305 120.400 0.225 0.000 2.193 180 D HA 0.361 5.001 4.640 -0.000 0.000 0.249 180 D C 0.959 177.304 176.300 0.074 0.000 1.034 180 D CA 0.291 54.361 54.000 0.116 0.000 0.902 180 D CB 1.428 42.276 40.800 0.080 0.000 1.182 180 D HN 0.773 nan 8.370 nan 0.000 0.436 181 G N 1.786 110.610 108.800 0.039 0.000 2.186 181 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.266 181 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.266 181 G C 0.121 174.970 174.900 -0.085 0.000 0.982 181 G CA 0.180 45.270 45.100 -0.016 0.000 0.670 181 G HN 0.617 nan 8.290 nan 0.000 0.533 182 N N 0.219 118.882 118.700 -0.062 0.000 2.513 182 N HA 0.411 5.151 4.740 -0.000 0.000 0.268 182 N C 0.388 175.723 175.510 -0.292 0.000 1.180 182 N CA -0.158 52.751 53.050 -0.236 0.000 0.948 182 N CB 0.473 38.810 38.487 -0.251 0.000 1.083 182 N HN 0.144 nan 8.380 nan 0.000 0.455 183 R N 2.167 122.375 120.500 -0.488 0.000 2.393 183 R HA 0.369 4.709 4.340 -0.000 0.000 0.310 183 R C -1.244 174.681 176.300 -0.625 0.000 0.968 183 R CA -0.521 55.327 56.100 -0.421 0.000 0.867 183 R CB 0.763 30.830 30.300 -0.388 0.000 1.124 183 R HN 0.446 nan 8.270 nan 0.000 0.450 184 F N 2.806 122.509 119.950 -0.411 0.000 2.469 184 F HA 0.397 4.923 4.527 -0.001 0.000 0.332 184 F C -0.419 174.936 175.800 -0.742 0.000 1.103 184 F CA -0.615 57.123 58.000 -0.437 0.000 0.979 184 F CB 1.226 39.991 39.000 -0.392 0.000 1.137 184 F HN 0.356 nan 8.300 nan 0.000 0.463 185 Y N 2.700 123.026 120.300 0.043 0.000 2.326 185 Y HA 0.446 4.996 4.550 0.000 0.000 0.331 185 Y C -0.803 175.252 175.900 0.258 0.000 0.962 185 Y CA -1.071 57.097 58.100 0.112 0.000 1.167 185 Y CB 1.127 39.685 38.460 0.164 0.000 1.148 185 Y HN 0.424 nan 8.280 nan 0.000 0.463 186 F N 4.985 125.126 119.950 0.318 0.000 2.361 186 F HA 0.519 5.046 4.527 0.000 0.000 0.364 186 F C -0.102 175.762 175.800 0.108 0.000 1.120 186 F CA -0.838 57.261 58.000 0.164 0.000 1.102 186 F CB 0.876 39.933 39.000 0.094 0.000 1.183 186 F HN 0.268 nan 8.300 nan 0.000 0.476 187 I N 4.213 124.895 120.570 0.187 0.000 2.428 187 I HA 0.625 4.795 4.170 -0.000 0.000 0.279 187 I C -0.345 175.642 176.117 -0.216 0.000 1.040 187 I CA -0.288 60.941 61.300 -0.118 0.000 1.171 187 I CB 1.036 38.800 38.000 -0.393 0.000 1.312 187 I HN 0.612 nan 8.210 nan 0.000 0.470 188 A N 6.750 129.604 122.820 0.057 0.000 2.606 188 A HA 0.880 5.200 4.320 -0.000 0.000 0.293 188 A C -2.970 174.817 177.584 0.339 0.000 1.082 188 A CA -1.419 50.765 52.037 0.244 0.000 0.685 188 A CB 1.502 20.570 19.000 0.112 0.000 1.284 188 A HN 0.325 nan 8.150 nan 0.000 0.408 189 P HA 0.190 nan 4.420 nan 0.000 0.271 189 P C -0.086 177.294 177.300 0.133 0.000 1.218 189 P CA -0.129 63.088 63.100 0.196 0.000 0.780 189 P CB 0.604 32.384 31.700 0.133 0.000 0.901 190 D N 1.847 122.311 120.400 0.106 0.000 2.182 190 D HA -0.170 4.470 4.640 -0.000 0.000 0.201 190 D C 1.656 177.986 176.300 0.051 0.000 0.986 190 D CA 1.544 55.589 54.000 0.074 0.000 0.847 190 D CB -0.232 40.608 40.800 0.066 0.000 0.942 190 D HN 0.387 nan 8.370 nan 0.000 0.467 191 A N 0.318 123.173 122.820 0.059 0.000 2.066 191 A HA -0.007 4.313 4.320 -0.000 0.000 0.218 191 A C 1.749 179.360 177.584 0.045 0.000 1.157 191 A CA 0.612 52.681 52.037 0.053 0.000 0.670 191 A CB -0.132 18.911 19.000 0.071 0.000 0.804 191 A HN 0.210 nan 8.150 nan 0.000 0.453 192 L N -1.280 119.974 121.223 0.052 0.000 3.186 192 L HA 0.313 4.652 4.340 -0.000 0.000 0.292 192 L C 1.674 178.541 176.870 -0.006 0.000 1.303 192 L CA 0.106 54.961 54.840 0.025 0.000 0.940 192 L CB 0.427 42.547 42.059 0.102 0.000 1.358 192 L HN 0.253 nan 8.230 nan 0.000 0.581 193 A N 1.000 123.806 122.820 -0.023 0.000 2.024 193 A HA -0.040 4.280 4.320 -0.000 0.000 0.220 193 A C 1.088 178.588 177.584 -0.140 0.000 1.164 193 A CA 1.351 53.365 52.037 -0.038 0.000 0.643 193 A CB -0.208 18.781 19.000 -0.018 0.000 0.806 193 A HN 0.660 nan 8.150 nan 0.000 0.451 194 M N -1.878 117.596 119.600 -0.210 0.000 4.044 194 M HA -0.043 4.437 4.480 -0.000 0.000 0.157 194 M C -2.948 173.112 176.300 -0.400 0.000 1.531 194 M CA -0.096 54.992 55.300 -0.354 0.000 1.096 194 M CB -1.228 31.020 32.600 -0.587 0.000 1.346 194 M HN 0.153 nan 8.290 nan 0.000 0.194 195 P HA -0.100 nan 4.420 nan 0.000 0.267 195 P C -0.030 176.941 177.300 -0.549 0.000 1.175 195 P CA 0.330 63.122 63.100 -0.514 0.000 0.763 195 P CB 0.488 31.735 31.700 -0.754 0.000 0.795 196 Q N 1.929 121.530 119.800 -0.333 0.000 2.020 196 Q HA -0.187 4.153 4.340 -0.000 0.000 0.202 196 Q C 2.221 178.072 176.000 -0.248 0.000 0.982 196 Q CA 2.100 57.763 55.803 -0.233 0.000 0.838 196 Q CB -1.117 27.567 28.738 -0.090 0.000 0.899 196 Q HN 0.729 nan 8.270 nan 0.000 0.423 197 Y N -0.401 119.802 120.300 -0.163 0.000 2.283 197 Y HA -0.200 4.350 4.550 -0.001 0.000 0.285 197 Y C 1.822 177.614 175.900 -0.179 0.000 1.176 197 Y CA 0.743 58.753 58.100 -0.151 0.000 1.229 197 Y CB -0.620 37.752 38.460 -0.147 0.000 0.975 197 Y HN -0.012 nan 8.280 nan 0.000 0.537 198 I N 0.625 120.769 120.570 -0.710 0.000 2.235 198 I HA -0.197 3.973 4.170 -0.000 0.000 0.241 198 I C 2.497 178.370 176.117 -0.406 0.000 1.085 198 I CA 1.056 62.020 61.300 -0.559 0.000 1.378 198 I CB -1.114 36.439 38.000 -0.746 0.000 1.076 198 I HN 0.371 nan 8.210 nan 0.000 0.415 199 L N 0.445 121.385 121.223 -0.472 0.000 2.042 199 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 199 L C 2.221 178.964 176.870 -0.212 0.000 1.076 199 L CA 1.323 55.860 54.840 -0.504 0.000 0.749 199 L CB -0.731 40.973 42.059 -0.592 0.000 0.893 199 L HN 0.219 nan 8.230 nan 0.000 0.432 200 D N -0.266 120.058 120.400 -0.125 0.000 2.123 200 D HA -0.236 4.404 4.640 -0.000 0.000 0.196 200 D C 2.135 178.425 176.300 -0.017 0.000 0.992 200 D CA 1.196 55.180 54.000 -0.026 0.000 0.833 200 D CB -0.203 40.592 40.800 -0.008 0.000 0.954 200 D HN 0.217 nan 8.370 nan 0.000 0.455 201 M N 0.421 119.992 119.600 -0.048 0.000 2.117 201 M HA -0.139 4.341 4.480 -0.000 0.000 0.262 201 M C 1.910 178.192 176.300 -0.030 0.000 1.065 201 M CA 1.219 56.499 55.300 -0.032 0.000 1.114 201 M CB -0.426 32.150 32.600 -0.040 0.000 1.361 201 M HN 0.027 nan 8.290 nan 0.000 0.408 202 L N 0.035 121.216 121.223 -0.070 0.000 2.131 202 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 202 L C 2.010 178.946 176.870 0.110 0.000 1.092 202 L CA 1.100 55.932 54.840 -0.014 0.000 0.759 202 L CB -0.917 41.068 42.059 -0.123 0.000 0.903 202 L HN 0.276 nan 8.230 nan 0.000 0.435 203 D N -0.150 120.325 120.400 0.125 0.000 2.123 203 D HA -0.149 4.491 4.640 -0.000 0.000 0.200 203 D C 2.073 178.417 176.300 0.073 0.000 0.976 203 D CA 0.849 54.932 54.000 0.139 0.000 0.831 203 D CB 0.015 40.902 40.800 0.145 0.000 0.974 203 D HN 0.181 nan 8.370 nan 0.000 0.469 204 E N 0.896 121.124 120.200 0.047 0.000 2.097 204 E HA -0.159 4.191 4.350 -0.000 0.000 0.196 204 E C 1.538 178.155 176.600 0.029 0.000 1.000 204 E CA 1.221 57.639 56.400 0.030 0.000 0.804 204 E CB 0.006 29.716 29.700 0.017 0.000 0.740 204 E HN 0.308 nan 8.360 nan 0.000 0.454 205 K N -0.706 119.715 120.400 0.035 0.000 2.417 205 K HA 0.222 4.542 4.320 -0.000 0.000 0.196 205 K C 0.616 177.246 176.600 0.049 0.000 1.023 205 K CA 0.575 56.883 56.287 0.036 0.000 1.122 205 K CB 0.243 32.764 32.500 0.036 0.000 0.850 205 K HN 0.142 nan 8.250 nan 0.000 0.521 206 G N 2.760 111.595 108.800 0.058 0.000 2.334 206 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.279 206 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.279 206 G C -0.370 174.568 174.900 0.064 0.000 0.918 206 G CA 0.240 45.375 45.100 0.058 0.000 1.314 206 G HN 0.424 nan 8.290 nan 0.000 0.463 207 I N 0.642 121.277 120.570 0.109 0.000 2.740 207 I HA 0.832 5.002 4.170 -0.000 0.000 0.303 207 I C 0.474 176.678 176.117 0.145 0.000 1.044 207 I CA -1.251 60.121 61.300 0.120 0.000 1.064 207 I CB 1.813 39.914 38.000 0.168 0.000 1.249 207 I HN 0.752 nan 8.210 nan 0.000 0.433 208 A N 7.216 130.076 122.820 0.067 0.000 2.477 208 A HA 0.552 4.872 4.320 -0.000 0.000 0.246 208 A C -0.803 176.822 177.584 0.068 0.000 1.078 208 A CA 0.026 52.045 52.037 -0.030 0.000 0.770 208 A CB -0.102 18.844 19.000 -0.089 0.000 1.011 208 A HN 0.839 nan 8.150 nan 0.000 0.494 209 W N 0.264 121.441 121.300 -0.205 0.000 3.153 209 W HA 0.598 5.258 4.660 -0.000 0.000 0.316 209 W C -1.183 175.132 176.519 -0.339 0.000 1.255 209 W CA -0.200 56.915 57.345 -0.384 0.000 1.192 209 W CB 0.629 29.810 29.460 -0.465 0.000 1.400 209 W HN 1.392 nan 8.180 nan 0.000 0.568 210 S N 1.462 117.120 115.700 -0.071 0.000 2.558 210 S HA 0.553 5.023 4.470 -0.000 0.000 0.277 210 S C -1.458 173.094 174.600 -0.081 0.000 1.143 210 S CA -0.999 57.103 58.200 -0.164 0.000 0.865 210 S CB 1.416 64.459 63.200 -0.262 0.000 1.102 210 S HN 0.508 nan 8.310 nan 0.000 0.454 211 L N 3.274 124.458 121.223 -0.064 0.000 2.395 211 L HA 0.622 4.962 4.340 -0.000 0.000 0.269 211 L C 0.407 177.054 176.870 -0.372 0.000 1.133 211 L CA 0.406 55.242 54.840 -0.007 0.000 0.812 211 L CB -0.350 41.787 42.059 0.131 0.000 1.125 211 L HN 0.829 nan 8.230 nan 0.000 0.452 212 H N 0.124 119.292 119.070 0.163 0.000 2.961 212 H HA 0.187 4.743 4.556 -0.000 0.000 0.371 212 H C 0.249 175.643 175.328 0.110 0.000 1.190 212 H CA -0.430 55.686 56.048 0.115 0.000 1.138 212 H CB 2.247 32.064 29.762 0.093 0.000 1.816 212 H HN 0.562 nan 8.280 nan 0.000 0.551 213 S N 1.087 116.944 115.700 0.262 0.000 2.478 213 S HA 0.049 4.519 4.470 -0.000 0.000 0.222 213 S C 0.677 175.485 174.600 0.346 0.000 1.008 213 S CA 0.672 59.039 58.200 0.278 0.000 0.928 213 S CB 0.312 63.638 63.200 0.209 0.000 0.781 213 S HN 0.557 nan 8.310 nan 0.000 0.518 214 S N -0.848 114.978 115.700 0.210 0.000 2.651 214 S HA 0.536 5.005 4.470 -0.000 0.000 0.279 214 S C 0.594 175.202 174.600 0.014 0.000 1.148 214 S CA -0.773 57.531 58.200 0.173 0.000 0.837 214 S CB 0.557 63.846 63.200 0.148 0.000 1.138 214 S HN 0.096 nan 8.310 nan 0.000 0.478 215 I N 2.184 122.756 120.570 0.003 0.000 2.400 215 I HA -0.011 4.159 4.170 -0.000 0.000 0.248 215 I C 2.452 178.501 176.117 -0.114 0.000 1.109 215 I CA 1.248 62.501 61.300 -0.077 0.000 1.425 215 I CB -1.672 36.303 38.000 -0.042 0.000 1.094 215 I HN 0.930 nan 8.210 nan 0.000 0.425 216 E N 2.447 122.604 120.200 -0.072 0.000 2.209 216 E HA -0.255 4.095 4.350 -0.000 0.000 0.196 216 E C 1.413 177.933 176.600 -0.134 0.000 0.993 216 E CA 1.366 57.706 56.400 -0.101 0.000 0.819 216 E CB -0.537 29.139 29.700 -0.041 0.000 0.745 216 E HN 0.752 nan 8.360 nan 0.000 0.477 217 E N 1.406 121.523 120.200 -0.139 0.000 2.511 217 E HA -0.047 4.303 4.350 -0.000 0.000 0.196 217 E C 1.643 178.043 176.600 -0.334 0.000 1.066 217 E CA 0.962 57.252 56.400 -0.184 0.000 0.871 217 E CB 0.469 30.089 29.700 -0.133 0.000 0.863 217 E HN 0.368 nan 8.360 nan 0.000 0.520 218 V N -3.695 115.990 119.914 -0.380 0.000 3.392 218 V HA 0.203 4.323 4.120 -0.000 0.000 0.294 218 V C 1.674 177.506 176.094 -0.437 0.000 1.561 218 V CA 0.030 61.999 62.300 -0.553 0.000 1.056 218 V CB 0.516 31.866 31.823 -0.789 0.000 0.882 218 V HN 0.063 nan 8.190 nan 0.000 0.440 219 M N 3.320 122.735 119.600 -0.309 0.000 2.082 219 M HA 0.045 4.525 4.480 -0.000 0.000 0.258 219 M C 1.984 178.127 176.300 -0.262 0.000 1.069 219 M CA 2.844 57.983 55.300 -0.269 0.000 1.102 219 M CB -0.761 31.687 32.600 -0.255 0.000 1.336 219 M HN 0.485 nan 8.290 nan 0.000 0.404 220 A N -1.279 121.394 122.820 -0.245 0.000 2.119 220 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 220 A C 1.928 179.374 177.584 -0.229 0.000 1.153 220 A CA 1.516 53.430 52.037 -0.205 0.000 0.692 220 A CB -0.684 18.220 19.000 -0.160 0.000 0.799 220 A HN 0.706 nan 8.150 nan 0.000 0.458 221 E N -0.424 119.588 120.200 -0.314 0.000 2.364 221 E HA 0.092 4.442 4.350 -0.000 0.000 0.196 221 E C 0.367 176.773 176.600 -0.323 0.000 0.990 221 E CA 0.248 56.412 56.400 -0.393 0.000 0.886 221 E CB 0.488 29.883 29.700 -0.508 0.000 0.866 221 E HN 0.530 nan 8.360 nan 0.000 0.493 222 V N -0.237 119.526 119.914 -0.251 0.000 2.649 222 V HA 0.144 4.264 4.120 -0.000 0.000 0.292 222 V C 0.365 176.437 176.094 -0.037 0.000 1.055 222 V CA -0.324 61.923 62.300 -0.089 0.000 1.023 222 V CB 1.552 33.304 31.823 -0.117 0.000 0.992 222 V HN -0.065 nan 8.190 nan 0.000 0.480 223 D N 2.598 123.017 120.400 0.032 0.000 2.324 223 D HA 0.242 4.882 4.640 -0.000 0.000 0.212 223 D C 0.237 176.531 176.300 -0.009 0.000 0.984 223 D CA 0.932 54.932 54.000 0.000 0.000 0.885 223 D CB 0.795 41.598 40.800 0.004 0.000 0.996 223 D HN 0.416 nan 8.370 nan 0.000 0.505 224 I N 1.776 122.359 120.570 0.021 0.000 2.478 224 I HA 0.200 4.370 4.170 -0.000 0.000 0.287 224 I C -0.877 175.295 176.117 0.092 0.000 1.042 224 I CA -0.860 60.472 61.300 0.054 0.000 1.067 224 I CB 2.326 40.366 38.000 0.068 0.000 1.233 224 I HN -0.177 nan 8.210 nan 0.000 0.431 225 L N 8.427 129.707 121.223 0.095 0.000 2.313 225 L HA 0.399 4.738 4.340 -0.000 0.000 0.273 225 L C -1.325 175.636 176.870 0.152 0.000 1.028 225 L CA -0.390 54.508 54.840 0.096 0.000 0.871 225 L CB 0.654 42.727 42.059 0.024 0.000 1.242 225 L HN 0.412 nan 8.230 nan 0.000 0.434 226 Y N 5.802 126.136 120.300 0.057 0.000 2.477 226 Y HA 0.462 5.012 4.550 0.000 0.000 0.349 226 Y C -0.041 175.843 175.900 -0.027 0.000 0.977 226 Y CA -0.455 57.671 58.100 0.043 0.000 1.214 226 Y CB 0.567 39.068 38.460 0.069 0.000 1.124 226 Y HN 0.487 nan 8.280 nan 0.000 0.521 227 M N 4.141 123.592 119.600 -0.248 0.000 2.288 227 M HA 0.316 4.796 4.480 -0.000 0.000 0.334 227 M C -0.145 175.721 176.300 -0.723 0.000 1.150 227 M CA 0.048 55.152 55.300 -0.327 0.000 1.118 227 M CB 1.439 33.898 32.600 -0.234 0.000 1.501 227 M HN 0.546 nan 8.290 nan 0.000 0.462 228 T N 1.519 115.776 114.554 -0.495 0.000 2.903 228 T HA 0.475 4.825 4.350 -0.000 0.000 0.299 228 T C -0.640 173.946 174.700 -0.191 0.000 1.093 228 T CA -0.756 61.082 62.100 -0.436 0.000 1.002 228 T CB 2.691 71.503 68.868 -0.094 0.000 1.127 228 T HN 0.625 nan 8.240 nan 0.000 0.488 229 R N 1.562 122.047 120.500 -0.024 0.000 2.486 229 R HA 0.617 4.957 4.340 -0.000 0.000 0.286 229 R C -0.833 175.516 176.300 0.082 0.000 0.999 229 R CA -0.513 55.648 56.100 0.102 0.000 0.993 229 R CB 0.733 31.136 30.300 0.172 0.000 1.084 229 R HN 0.433 nan 8.270 nan 0.000 0.487 230 V N 5.139 125.101 119.914 0.079 0.000 2.446 230 V HA 0.010 4.130 4.120 -0.000 0.000 0.276 230 V C 0.365 176.494 176.094 0.058 0.000 1.030 230 V CA -0.159 62.189 62.300 0.080 0.000 1.033 230 V CB 1.108 32.972 31.823 0.067 0.000 0.993 230 V HN 0.707 nan 8.190 nan 0.000 0.477 231 Q N 5.178 125.019 119.800 0.068 0.000 2.903 231 Q HA 0.009 4.349 4.340 -0.000 0.000 0.243 231 Q C 0.966 176.923 176.000 -0.072 0.000 1.366 231 Q CA -0.119 55.690 55.803 0.009 0.000 0.898 231 Q CB -0.139 28.615 28.738 0.026 0.000 1.718 231 Q HN 0.746 nan 8.270 nan 0.000 0.557 232 K N 1.230 121.600 120.400 -0.050 0.000 3.233 232 K HA -0.056 4.264 4.320 -0.000 0.000 0.283 232 K C 0.417 176.955 176.600 -0.103 0.000 1.209 232 K CA 0.208 56.443 56.287 -0.086 0.000 1.197 232 K CB -0.172 32.280 32.500 -0.080 0.000 1.431 232 K HN 0.486 nan 8.250 nan 0.000 0.326 233 E N -0.153 119.980 120.200 -0.113 0.000 2.581 233 E HA 0.091 4.441 4.350 -0.000 0.000 0.195 233 E C 0.729 177.258 176.600 -0.118 0.000 0.936 233 E CA -0.351 55.994 56.400 -0.091 0.000 1.387 233 E CB 0.133 29.800 29.700 -0.054 0.000 1.424 233 E HN 0.254 nan 8.360 nan 0.000 0.742 234 R N 1.247 121.612 120.500 -0.224 0.000 2.487 234 R HA 0.353 4.693 4.340 -0.000 0.000 0.272 234 R C 0.976 176.902 176.300 -0.623 0.000 0.928 234 R CA -0.088 55.792 56.100 -0.366 0.000 1.077 234 R CB 0.925 30.973 30.300 -0.421 0.000 1.265 234 R HN 0.163 nan 8.270 nan 0.000 0.537 235 L N -0.683 120.254 121.223 -0.477 0.000 2.379 235 L HA 0.719 5.059 4.340 -0.000 0.000 0.269 235 L C -0.108 176.799 176.870 0.063 0.000 1.084 235 L CA -0.623 54.041 54.840 -0.294 0.000 0.802 235 L CB 0.987 43.001 42.059 -0.075 0.000 1.175 235 L HN -0.142 nan 8.230 nan 0.000 0.448 236 A N 3.166 126.057 122.820 0.118 0.000 2.386 236 A HA 0.452 4.771 4.320 -0.000 0.000 0.248 236 A C -1.656 175.863 177.584 -0.108 0.000 1.082 236 A CA -1.261 50.814 52.037 0.063 0.000 0.789 236 A CB -0.020 19.010 19.000 0.051 0.000 1.025 236 A HN 0.791 nan 8.150 nan 0.000 0.490 237 P HA -0.142 nan 4.420 nan 0.000 0.216 237 P C 1.118 177.942 177.300 -0.793 0.000 1.150 237 P CA 1.904 64.195 63.100 -1.348 0.000 0.837 237 P CB 0.026 31.311 31.700 -0.692 0.000 0.786 238 S N -1.150 114.352 115.700 -0.331 0.000 2.881 238 S HA 0.017 4.487 4.470 -0.000 0.000 0.228 238 S C 0.748 175.303 174.600 -0.076 0.000 0.965 238 S CA 0.468 58.570 58.200 -0.164 0.000 0.998 238 S CB -0.993 62.158 63.200 -0.083 0.000 0.795 238 S HN 0.303 nan 8.310 nan 0.000 0.518 239 E N -0.975 119.185 120.200 -0.067 0.000 2.794 239 E HA 0.144 4.494 4.350 -0.000 0.000 0.203 239 E C -0.106 176.626 176.600 0.220 0.000 0.953 239 E CA -0.210 56.244 56.400 0.091 0.000 1.284 239 E CB 0.122 29.915 29.700 0.156 0.000 1.077 239 E HN 0.630 nan 8.360 nan 0.000 0.508 240 Y N 0.360 120.676 120.300 0.027 0.000 2.651 240 Y HA -0.082 4.468 4.550 -0.000 0.000 0.296 240 Y C 2.262 178.171 175.900 0.016 0.000 1.150 240 Y CA 0.174 58.283 58.100 0.016 0.000 1.348 240 Y CB 0.099 38.564 38.460 0.009 0.000 0.983 240 Y HN 0.160 nan 8.280 nan 0.000 0.555 241 A N 0.054 122.975 122.820 0.168 0.000 2.206 241 A HA -0.084 4.236 4.320 -0.000 0.000 0.211 241 A C 1.490 179.120 177.584 0.076 0.000 1.158 241 A CA 0.686 52.781 52.037 0.097 0.000 0.761 241 A CB -0.271 18.768 19.000 0.065 0.000 0.801 241 A HN 0.402 nan 8.150 nan 0.000 0.473 242 N N 0.005 118.764 118.700 0.098 0.000 2.205 242 N HA 0.017 4.757 4.740 -0.000 0.000 0.201 242 N C 1.615 177.163 175.510 0.064 0.000 1.128 242 N CA 1.004 54.102 53.050 0.079 0.000 0.867 242 N CB 0.581 39.133 38.487 0.108 0.000 0.996 242 N HN 0.415 nan 8.380 nan 0.000 0.503 243 V N -0.754 119.190 119.914 0.051 0.000 2.324 243 V HA -0.131 3.989 4.120 -0.000 0.000 0.250 243 V C 1.124 177.224 176.094 0.010 0.000 1.060 243 V CA 1.269 63.577 62.300 0.012 0.000 1.042 243 V CB -0.718 31.085 31.823 -0.033 0.000 0.650 243 V HN 0.039 nan 8.190 nan 0.000 0.450 244 K N 0.043 120.447 120.400 0.007 0.000 2.326 244 K HA 0.500 4.820 4.320 -0.000 0.000 0.275 244 K C 1.440 178.039 176.600 -0.001 0.000 1.018 244 K CA 0.284 56.570 56.287 -0.001 0.000 0.962 244 K CB 1.270 33.763 32.500 -0.010 0.000 0.953 244 K HN 0.346 nan 8.250 nan 0.000 0.475 245 A N 3.152 125.976 122.820 0.005 0.000 1.877 245 A HA -0.332 3.987 4.320 -0.000 0.000 0.218 245 A C 1.478 179.035 177.584 -0.045 0.000 1.301 245 A CA 2.655 54.703 52.037 0.018 0.000 0.699 245 A CB -0.684 18.337 19.000 0.035 0.000 0.844 245 A HN 1.068 nan 8.150 nan 0.000 0.464 246 Q N -4.786 114.933 119.800 -0.136 0.000 7.827 246 Q HA -0.152 4.188 4.340 -0.000 0.000 0.364 246 Q C -0.891 174.825 176.000 -0.473 0.000 1.070 246 Q CA 0.854 56.423 55.803 -0.390 0.000 0.532 246 Q CB -1.087 27.259 28.738 -0.652 0.000 0.158 246 Q HN 0.566 nan 8.270 nan 0.000 0.886 247 F N 2.386 122.357 119.950 0.035 0.000 2.385 247 F HA 0.630 5.157 4.527 0.000 0.000 0.360 247 F C -0.262 175.552 175.800 0.023 0.000 1.122 247 F CA -0.772 57.247 58.000 0.032 0.000 1.090 247 F CB 1.838 40.860 39.000 0.038 0.000 1.150 247 F HN -0.070 nan 8.300 nan 0.000 0.472 248 V N 5.334 125.343 119.914 0.158 0.000 2.407 248 V HA 0.266 4.386 4.120 -0.000 0.000 0.291 248 V C -0.459 175.689 176.094 0.090 0.000 1.018 248 V CA -0.773 61.587 62.300 0.100 0.000 0.842 248 V CB 1.888 33.745 31.823 0.056 0.000 0.996 248 V HN 0.571 nan 8.190 nan 0.000 0.426 249 L N 7.258 128.526 121.223 0.075 0.000 2.265 249 L HA 0.599 4.939 4.340 -0.000 0.000 0.288 249 L C 0.025 176.929 176.870 0.058 0.000 1.058 249 L CA 0.192 55.068 54.840 0.060 0.000 0.809 249 L CB 0.809 42.897 42.059 0.048 0.000 1.179 249 L HN 0.712 nan 8.230 nan 0.000 0.429 250 R N 3.497 124.032 120.500 0.058 0.000 2.873 250 R HA 0.584 4.924 4.340 -0.000 0.000 0.264 250 R C 0.726 177.071 176.300 0.073 0.000 1.026 250 R CA -0.320 55.819 56.100 0.066 0.000 1.002 250 R CB 1.028 31.364 30.300 0.061 0.000 1.174 250 R HN 0.646 nan 8.270 nan 0.000 0.488 251 A N 1.070 123.941 122.820 0.085 0.000 1.883 251 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 251 A C 2.209 179.851 177.584 0.098 0.000 1.186 251 A CA 2.320 54.416 52.037 0.098 0.000 0.624 251 A CB -0.938 18.120 19.000 0.096 0.000 0.822 251 A HN 0.879 nan 8.150 nan 0.000 0.444 252 S N 1.504 117.261 115.700 0.095 0.000 2.369 252 S HA -0.238 4.232 4.470 -0.000 0.000 0.225 252 S C 1.093 175.802 174.600 0.182 0.000 1.043 252 S CA 1.442 59.714 58.200 0.119 0.000 1.074 252 S CB -0.917 62.339 63.200 0.093 0.000 0.962 252 S HN 0.732 nan 8.310 nan 0.000 0.433 253 D N 1.169 121.644 120.400 0.124 0.000 2.934 253 D HA 0.222 4.862 4.640 -0.000 0.000 0.237 253 D C 0.194 176.446 176.300 -0.080 0.000 1.158 253 D CA -0.294 53.751 54.000 0.075 0.000 0.971 253 D CB 0.455 41.290 40.800 0.057 0.000 1.123 253 D HN 0.435 nan 8.370 nan 0.000 0.467 254 L N 0.509 121.674 121.223 -0.098 0.000 3.635 254 L HA 0.145 4.485 4.340 -0.000 0.000 0.338 254 L C 1.086 177.861 176.870 -0.157 0.000 1.275 254 L CA -0.101 54.643 54.840 -0.161 0.000 1.092 254 L CB -0.063 41.974 42.059 -0.036 0.000 1.465 254 L HN 0.202 nan 8.230 nan 0.000 0.625 255 H N -1.112 117.952 119.070 -0.010 0.000 2.357 255 H HA 0.024 4.580 4.556 -0.000 0.000 0.301 255 H C 1.238 176.558 175.328 -0.013 0.000 1.082 255 H CA 1.682 57.733 56.048 0.005 0.000 1.342 255 H CB -0.565 29.201 29.762 0.006 0.000 1.389 255 H HN 0.397 nan 8.280 nan 0.000 0.511 256 N N 1.413 119.921 118.700 -0.320 0.000 2.362 256 N HA 0.186 4.926 4.740 -0.000 0.000 0.204 256 N C 0.045 175.458 175.510 -0.161 0.000 1.166 256 N CA 0.369 53.345 53.050 -0.124 0.000 0.831 256 N CB -0.145 38.274 38.487 -0.114 0.000 1.008 256 N HN 0.590 nan 8.380 nan 0.000 0.472 257 A N 0.618 123.322 122.820 -0.193 0.000 2.287 257 A HA 0.386 4.706 4.320 -0.000 0.000 0.273 257 A C 0.225 177.748 177.584 -0.103 0.000 1.091 257 A CA -0.548 51.358 52.037 -0.217 0.000 0.817 257 A CB 0.590 19.338 19.000 -0.421 0.000 1.069 257 A HN 0.266 nan 8.150 nan 0.000 0.492 258 K N 0.302 120.648 120.400 -0.091 0.000 2.237 258 K HA 0.381 4.701 4.320 -0.000 0.000 0.270 258 K C 1.269 177.912 176.600 0.072 0.000 1.015 258 K CA 0.390 56.662 56.287 -0.025 0.000 0.949 258 K CB 0.932 33.405 32.500 -0.045 0.000 0.976 258 K HN 0.709 nan 8.250 nan 0.000 0.472 259 A N 2.813 125.669 122.820 0.061 0.000 1.908 259 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 259 A C 1.640 179.248 177.584 0.041 0.000 1.181 259 A CA 2.243 54.322 52.037 0.071 0.000 0.627 259 A CB -0.914 18.088 19.000 0.004 0.000 0.818 259 A HN 0.981 nan 8.150 nan 0.000 0.445 260 N N -1.405 117.293 118.700 -0.004 0.000 2.515 260 N HA 0.007 4.747 4.740 -0.000 0.000 0.185 260 N C 0.829 176.314 175.510 -0.041 0.000 1.109 260 N CA 0.286 53.301 53.050 -0.058 0.000 0.903 260 N CB -0.246 38.198 38.487 -0.071 0.000 0.969 260 N HN 0.380 nan 8.380 nan 0.000 0.450 261 M N 1.096 120.722 119.600 0.044 0.000 2.251 261 M HA 0.084 4.564 4.480 -0.000 0.000 0.343 261 M C -0.791 175.572 176.300 0.106 0.000 1.245 261 M CA 0.669 55.992 55.300 0.038 0.000 1.061 261 M CB 0.408 32.974 32.600 -0.056 0.000 1.723 261 M HN 0.037 nan 8.290 nan 0.000 0.449 262 K N 3.317 123.727 120.400 0.016 0.000 2.426 262 K HA 0.497 4.817 4.320 -0.000 0.000 0.254 262 K C -1.473 175.190 176.600 0.105 0.000 0.936 262 K CA -0.478 55.820 56.287 0.017 0.000 0.801 262 K CB 1.943 34.339 32.500 -0.174 0.000 1.139 262 K HN 0.478 nan 8.250 nan 0.000 0.424 263 V N 5.388 125.416 119.914 0.190 0.000 2.408 263 V HA 0.336 4.456 4.120 -0.000 0.000 0.267 263 V C -0.375 175.898 176.094 0.298 0.000 1.047 263 V CA -0.664 61.769 62.300 0.221 0.000 0.937 263 V CB 0.492 32.485 31.823 0.284 0.000 0.999 263 V HN 0.486 nan 8.190 nan 0.000 0.472 264 L N 4.393 125.737 121.223 0.201 0.000 2.322 264 L HA 0.674 5.014 4.340 -0.000 0.000 0.269 264 L C -0.388 176.409 176.870 -0.123 0.000 1.012 264 L CA -0.562 54.361 54.840 0.138 0.000 0.815 264 L CB 1.588 43.755 42.059 0.179 0.000 1.295 264 L HN 0.781 nan 8.230 nan 0.000 0.438 265 H N 2.139 121.020 119.070 -0.314 0.000 3.154 265 H HA 0.238 4.794 4.556 -0.000 0.000 0.330 265 H C -2.172 172.966 175.328 -0.316 0.000 1.033 265 H CA -1.027 54.731 56.048 -0.483 0.000 1.393 265 H CB 2.519 32.039 29.762 -0.405 0.000 1.951 265 H HN 0.388 nan 8.280 nan 0.000 0.466 266 P HA -0.120 nan 4.420 nan 0.000 0.219 266 P C -0.280 177.117 177.300 0.161 0.000 1.146 266 P CA 0.570 63.755 63.100 0.141 0.000 0.808 266 P CB 0.634 32.455 31.700 0.202 0.000 0.779 267 L N -1.999 119.370 121.223 0.243 0.000 0.584 267 L HA -0.096 4.243 4.340 -0.000 0.000 0.356 267 L C -2.291 174.606 176.870 0.045 0.000 0.992 267 L CA -0.160 54.606 54.840 -0.123 0.000 1.223 267 L CB -2.284 39.685 42.059 -0.150 0.000 0.009 267 L HN 0.125 nan 8.230 nan 0.000 0.091 268 P HA 0.282 nan 4.420 nan 0.000 0.277 268 P C -0.976 176.204 177.300 -0.201 0.000 1.240 268 P CA -0.527 62.507 63.100 -0.110 0.000 0.798 268 P CB 0.960 32.643 31.700 -0.029 0.000 0.979 269 R N 2.009 122.282 120.500 -0.378 0.000 2.540 269 R HA 0.397 4.737 4.340 -0.000 0.000 0.287 269 R C -0.245 175.992 176.300 -0.106 0.000 0.980 269 R CA -0.575 55.331 56.100 -0.324 0.000 0.966 269 R CB 1.416 31.357 30.300 -0.598 0.000 1.106 269 R HN 0.375 nan 8.270 nan 0.000 0.480 270 V N 2.123 122.026 119.914 -0.017 0.000 3.355 270 V HA 0.101 4.221 4.120 -0.000 0.000 0.210 270 V C 1.087 177.179 176.094 -0.005 0.000 1.157 270 V CA 1.257 63.552 62.300 -0.008 0.000 1.336 270 V CB 0.297 32.124 31.823 0.008 0.000 1.317 270 V HN 0.947 nan 8.190 nan 0.000 0.503 271 D N -0.654 119.754 120.400 0.013 0.000 2.423 271 D HA -0.066 4.574 4.640 -0.000 0.000 0.208 271 D C 1.689 178.005 176.300 0.026 0.000 1.068 271 D CA 0.743 54.752 54.000 0.014 0.000 0.860 271 D CB -0.367 40.441 40.800 0.014 0.000 0.992 271 D HN 0.713 nan 8.370 nan 0.000 0.504 272 E N 1.697 121.924 120.200 0.045 0.000 2.273 272 E HA -0.163 4.187 4.350 -0.000 0.000 0.198 272 E C 0.773 177.399 176.600 0.044 0.000 1.002 272 E CA 0.662 57.101 56.400 0.065 0.000 0.828 272 E CB -0.144 29.610 29.700 0.091 0.000 0.747 272 E HN 0.442 nan 8.360 nan 0.000 0.491 273 I N 1.421 121.993 120.570 0.002 0.000 2.476 273 I HA 0.325 4.494 4.170 -0.000 0.000 0.281 273 I C -0.167 175.939 176.117 -0.019 0.000 1.040 273 I CA -0.945 60.335 61.300 -0.034 0.000 1.094 273 I CB 1.696 39.594 38.000 -0.171 0.000 1.219 273 I HN -0.024 nan 8.210 nan 0.000 0.450 274 A N 3.615 126.450 122.820 0.025 0.000 2.531 274 A HA 0.183 4.503 4.320 -0.000 0.000 0.236 274 A C 1.518 179.141 177.584 0.064 0.000 1.062 274 A CA 0.368 52.430 52.037 0.042 0.000 0.760 274 A CB 0.145 19.176 19.000 0.052 0.000 0.995 274 A HN 0.872 nan 8.150 nan 0.000 0.501 275 T N -0.977 113.619 114.554 0.069 0.000 3.098 275 T HA -0.119 4.231 4.350 -0.000 0.000 0.266 275 T C 0.756 175.525 174.700 0.116 0.000 1.145 275 T CA 1.316 63.479 62.100 0.105 0.000 1.092 275 T CB -0.418 68.503 68.868 0.089 0.000 0.908 275 T HN 0.772 nan 8.240 nan 0.000 0.526 276 D N 0.917 121.374 120.400 0.096 0.000 2.355 276 D HA 0.007 4.647 4.640 -0.000 0.000 0.218 276 D C 1.631 177.999 176.300 0.114 0.000 1.004 276 D CA -0.017 54.039 54.000 0.093 0.000 0.880 276 D CB -0.499 40.344 40.800 0.073 0.000 0.911 276 D HN 0.429 nan 8.370 nan 0.000 0.528 277 V N 0.794 120.794 119.914 0.144 0.000 2.951 277 V HA -0.101 4.019 4.120 -0.000 0.000 0.255 277 V C 1.419 177.640 176.094 0.212 0.000 1.088 277 V CA 1.110 63.518 62.300 0.180 0.000 1.109 277 V CB -0.218 31.728 31.823 0.204 0.000 0.724 277 V HN 0.029 nan 8.190 nan 0.000 0.471 278 D N 1.548 122.084 120.400 0.227 0.000 2.144 278 D HA -0.186 4.454 4.640 -0.000 0.000 0.199 278 D C 2.026 178.394 176.300 0.112 0.000 0.984 278 D CA 1.357 55.480 54.000 0.204 0.000 0.834 278 D CB -0.220 40.741 40.800 0.269 0.000 0.955 278 D HN 0.613 nan 8.370 nan 0.000 0.465 279 K N 0.727 121.187 120.400 0.100 0.000 2.487 279 K HA 0.031 4.351 4.320 -0.000 0.000 0.192 279 K C 0.474 177.109 176.600 0.058 0.000 1.027 279 K CA 0.125 56.452 56.287 0.067 0.000 1.054 279 K CB -0.060 32.474 32.500 0.057 0.000 0.824 279 K HN 0.103 nan 8.250 nan 0.000 0.510 280 T N -1.464 113.135 114.554 0.075 0.000 2.918 280 T HA 0.285 4.635 4.350 -0.000 0.000 0.283 280 T C -1.960 172.754 174.700 0.022 0.000 1.001 280 T CA -1.936 60.200 62.100 0.059 0.000 1.041 280 T CB 1.406 70.348 68.868 0.124 0.000 1.028 280 T HN -0.175 nan 8.240 nan 0.000 0.511 281 P HA -0.000 nan 4.420 nan 0.000 0.230 281 P C 1.108 178.316 177.300 -0.153 0.000 1.158 281 P CA 0.734 63.758 63.100 -0.127 0.000 0.769 281 P CB -0.017 31.539 31.700 -0.240 0.000 0.807 282 H N -0.369 118.741 119.070 0.067 0.000 2.448 282 H HA 0.244 4.800 4.556 -0.000 0.000 0.292 282 H C 0.973 176.372 175.328 0.118 0.000 1.035 282 H CA 0.319 56.401 56.048 0.058 0.000 1.349 282 H CB -0.597 29.191 29.762 0.043 0.000 1.425 282 H HN 0.035 nan 8.280 nan 0.000 0.539 283 A N 0.894 123.829 122.820 0.192 0.000 2.566 283 A HA -0.063 4.257 4.320 -0.000 0.000 0.245 283 A C 0.318 177.898 177.584 -0.007 0.000 1.056 283 A CA 0.316 52.339 52.037 -0.023 0.000 0.757 283 A CB -0.330 18.567 19.000 -0.173 0.000 0.979 283 A HN 0.737 nan 8.150 nan 0.000 0.508 284 W N 3.583 124.614 121.300 -0.449 0.000 1.197 284 W HA 0.076 4.736 4.660 0.000 0.000 0.197 284 W C -0.002 176.377 176.519 -0.233 0.000 0.758 284 W CA -0.025 57.159 57.345 -0.268 0.000 1.092 284 W CB 0.108 29.521 29.460 -0.078 0.000 0.854 284 W HN 1.061 nan 8.180 nan 0.000 0.413 285 Y N -1.663 118.557 120.300 -0.133 0.000 2.314 285 Y HA -0.065 4.484 4.550 -0.000 0.000 0.293 285 Y C 1.826 177.530 175.900 -0.327 0.000 1.129 285 Y CA 1.084 59.023 58.100 -0.268 0.000 1.201 285 Y CB -1.383 36.820 38.460 -0.429 0.000 0.999 285 Y HN -0.237 nan 8.280 nan 0.000 0.541 286 F N 0.824 120.666 119.950 -0.180 0.000 2.149 286 F HA -0.081 4.446 4.527 0.000 0.000 0.294 286 F C 2.316 177.966 175.800 -0.249 0.000 1.095 286 F CA 0.840 58.743 58.000 -0.161 0.000 1.276 286 F CB -1.068 37.822 39.000 -0.184 0.000 1.023 286 F HN -0.021 nan 8.300 nan 0.000 0.480 287 Q N 0.299 119.894 119.800 -0.341 0.000 2.152 287 Q HA -0.252 4.088 4.340 -0.000 0.000 0.206 287 Q C 2.205 178.084 176.000 -0.202 0.000 0.985 287 Q CA 1.842 57.350 55.803 -0.491 0.000 0.863 287 Q CB -0.609 27.293 28.738 -1.393 0.000 0.904 287 Q HN 0.520 nan 8.270 nan 0.000 0.422 288 Q N -0.174 119.536 119.800 -0.150 0.000 2.002 288 Q HA -0.238 4.102 4.340 -0.000 0.000 0.204 288 Q C 1.975 178.039 176.000 0.107 0.000 0.988 288 Q CA 1.776 57.635 55.803 0.094 0.000 0.843 288 Q CB -0.293 28.531 28.738 0.144 0.000 0.908 288 Q HN 0.437 nan 8.270 nan 0.000 0.420 289 A N 0.415 123.280 122.820 0.076 0.000 1.940 289 A HA -0.144 4.175 4.320 -0.000 0.000 0.219 289 A C 2.279 179.885 177.584 0.035 0.000 1.176 289 A CA 1.718 53.798 52.037 0.072 0.000 0.631 289 A CB -1.383 17.678 19.000 0.102 0.000 0.814 289 A HN 0.650 nan 8.150 nan 0.000 0.446 290 G N -0.357 108.463 108.800 0.034 0.000 2.450 290 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.220 290 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.220 290 G C 1.320 176.215 174.900 -0.008 0.000 1.130 290 G CA 1.060 46.159 45.100 -0.002 0.000 0.760 290 G HN 0.736 nan 8.290 nan 0.000 0.557 291 N N 0.329 119.122 118.700 0.155 0.000 2.512 291 N HA 0.009 4.749 4.740 -0.000 0.000 0.183 291 N C 2.274 177.839 175.510 0.091 0.000 1.073 291 N CA 0.251 53.504 53.050 0.338 0.000 0.911 291 N CB -0.007 38.830 38.487 0.583 0.000 0.964 291 N HN 0.334 nan 8.380 nan 0.000 0.447 292 G N 1.203 109.988 108.800 -0.025 0.000 2.432 292 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.219 292 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.219 292 G C 1.430 176.187 174.900 -0.238 0.000 1.135 292 G CA 0.331 45.365 45.100 -0.110 0.000 0.767 292 G HN 0.226 nan 8.290 nan 0.000 0.550 293 I N -0.156 120.199 120.570 -0.359 0.000 2.226 293 I HA -0.127 4.043 4.170 -0.000 0.000 0.245 293 I C 2.273 178.086 176.117 -0.506 0.000 1.100 293 I CA 0.946 61.947 61.300 -0.497 0.000 1.374 293 I CB -0.169 37.411 38.000 -0.700 0.000 1.057 293 I HN 0.108 nan 8.210 nan 0.000 0.413 294 F N 0.493 120.373 119.950 -0.116 0.000 2.234 294 F HA 0.027 4.553 4.527 -0.000 0.000 0.296 294 F C 2.533 178.153 175.800 -0.299 0.000 1.089 294 F CA 0.813 58.690 58.000 -0.206 0.000 1.343 294 F CB -1.175 37.665 39.000 -0.265 0.000 1.040 294 F HN -0.052 nan 8.300 nan 0.000 0.498 295 A N 0.596 123.302 122.820 -0.191 0.000 1.873 295 A HA -0.135 4.185 4.320 -0.000 0.000 0.215 295 A C 2.313 179.821 177.584 -0.127 0.000 1.186 295 A CA 1.335 53.258 52.037 -0.190 0.000 0.616 295 A CB -0.609 18.319 19.000 -0.120 0.000 0.823 295 A HN 0.284 nan 8.150 nan 0.000 0.442 296 R N -0.862 119.526 120.500 -0.186 0.000 2.148 296 R HA -0.043 4.297 4.340 -0.000 0.000 0.223 296 R C 2.376 178.658 176.300 -0.029 0.000 1.088 296 R CA 1.083 57.066 56.100 -0.196 0.000 0.985 296 R CB -0.206 29.727 30.300 -0.612 0.000 0.880 296 R HN 0.660 nan 8.270 nan 0.000 0.451 297 Q N 0.176 119.948 119.800 -0.046 0.000 2.079 297 Q HA -0.098 4.242 4.340 -0.000 0.000 0.200 297 Q C 2.157 178.177 176.000 0.034 0.000 0.974 297 Q CA 1.527 57.339 55.803 0.015 0.000 0.840 297 Q CB -0.031 28.719 28.738 0.020 0.000 0.898 297 Q HN 0.352 nan 8.270 nan 0.000 0.430 298 A N 0.564 123.387 122.820 0.006 0.000 1.902 298 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 298 A C 1.960 179.569 177.584 0.041 0.000 1.181 298 A CA 1.161 53.204 52.037 0.011 0.000 0.623 298 A CB -0.594 18.384 19.000 -0.035 0.000 0.818 298 A HN 0.379 nan 8.150 nan 0.000 0.443 299 L N -0.308 120.947 121.223 0.053 0.000 2.027 299 L HA -0.046 4.293 4.340 -0.000 0.000 0.206 299 L C 2.291 179.227 176.870 0.110 0.000 1.074 299 L CA 1.562 56.456 54.840 0.091 0.000 0.745 299 L CB -0.501 41.632 42.059 0.124 0.000 0.898 299 L HN 0.396 nan 8.230 nan 0.000 0.433 300 L N -0.731 120.570 121.223 0.130 0.000 2.079 300 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 300 L C 2.586 179.509 176.870 0.088 0.000 1.081 300 L CA 1.199 56.110 54.840 0.119 0.000 0.752 300 L CB -0.847 41.292 42.059 0.134 0.000 0.896 300 L HN 0.391 nan 8.230 nan 0.000 0.433 301 A N -0.060 122.809 122.820 0.081 0.000 1.872 301 A HA -0.085 4.235 4.320 -0.000 0.000 0.214 301 A C 2.208 179.849 177.584 0.095 0.000 1.187 301 A CA 0.985 53.068 52.037 0.077 0.000 0.614 301 A CB -0.590 18.447 19.000 0.061 0.000 0.826 301 A HN 0.321 nan 8.150 nan 0.000 0.442 302 L N -0.265 121.012 121.223 0.090 0.000 2.131 302 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 302 L C 2.374 179.328 176.870 0.141 0.000 1.092 302 L CA 0.989 55.893 54.840 0.106 0.000 0.759 302 L CB -0.443 41.668 42.059 0.086 0.000 0.903 302 L HN 0.252 nan 8.230 nan 0.000 0.435 303 V N -0.509 119.467 119.914 0.103 0.000 2.591 303 V HA -0.153 3.967 4.120 -0.000 0.000 0.249 303 V C 1.923 178.045 176.094 0.046 0.000 1.053 303 V CA 1.153 63.484 62.300 0.051 0.000 1.068 303 V CB -0.087 31.747 31.823 0.018 0.000 0.689 303 V HN 0.365 nan 8.190 nan 0.000 0.462 304 L N -0.440 120.849 121.223 0.110 0.000 2.640 304 L HA 0.283 4.623 4.340 -0.000 0.000 0.230 304 L C 0.312 177.333 176.870 0.252 0.000 1.123 304 L CA 0.237 55.158 54.840 0.135 0.000 0.900 304 L CB -0.029 42.078 42.059 0.080 0.000 1.146 304 L HN 0.323 nan 8.230 nan 0.000 0.484 305 N N 0.417 119.284 118.700 0.278 0.000 2.354 305 N HA 0.205 4.945 4.740 -0.000 0.000 0.287 305 N C 0.539 176.069 175.510 0.033 0.000 1.016 305 N CA -0.348 52.797 53.050 0.158 0.000 0.871 305 N CB 1.896 40.430 38.487 0.079 0.000 1.299 305 N HN 0.135 nan 8.380 nan 0.000 0.482 306 R N 0.726 121.025 120.500 -0.334 0.000 2.091 306 R HA 0.035 4.375 4.340 -0.000 0.000 0.238 306 R C -0.134 175.991 176.300 -0.292 0.000 1.136 306 R CA 0.952 56.604 56.100 -0.746 0.000 0.959 306 R CB 0.042 29.945 30.300 -0.662 0.000 0.856 306 R HN 0.467 nan 8.270 nan 0.000 0.437 307 D N -0.105 120.205 120.400 -0.149 0.000 2.583 307 D HA 0.476 5.116 4.640 -0.000 0.000 0.248 307 D C -1.239 175.045 176.300 -0.028 0.000 1.209 307 D CA -0.559 53.399 54.000 -0.070 0.000 0.848 307 D CB 2.627 43.386 40.800 -0.068 0.000 1.431 307 D HN 0.104 nan 8.370 nan 0.000 0.436 308 L N -1.432 119.786 121.223 -0.008 0.000 2.676 308 L HA 0.551 4.891 4.340 -0.000 0.000 0.262 308 L C -1.544 175.331 176.870 0.008 0.000 0.932 308 L CA -0.964 53.879 54.840 0.006 0.000 0.932 308 L CB 1.230 43.300 42.059 0.020 0.000 1.355 308 L HN -0.007 nan 8.230 nan 0.000 0.421 309 V N 4.646 124.564 119.914 0.007 0.000 2.370 309 V HA 0.758 4.878 4.120 -0.000 0.000 0.283 309 V C 0.003 176.104 176.094 0.012 0.000 1.023 309 V CA -0.252 62.053 62.300 0.009 0.000 0.857 309 V CB 1.188 33.014 31.823 0.005 0.000 0.985 309 V HN 0.712 nan 8.190 nan 0.000 0.443 310 L N 0.000 121.232 121.223 0.015 0.000 2.949 310 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 310 L CA 0.000 54.849 54.840 0.016 0.000 0.813 310 L CB 0.000 42.070 42.059 0.018 0.000 0.961 310 L HN 0.000 nan 8.230 nan 0.000 0.502