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 8atc_1_A DATA FIRST_RESID 1 DATA SEQUENCE ANPLYQKHII SINDLSRDDL NLVLATAAKL KANPQPELLK HKVIASCFFE DATA SEQUENCE ASTRTRLSFQ TSMHRLGASV VGFSDSANTS LGKKGETLAD TISVISTYVD DATA SEQUENCE AIVMRHPQEG AARLATEFSG NVPVLNAGDG SNQHPTQTLL DLFTIQQTEG DATA SEQUENCE RLDNLHVAMV GDLKYGRTVH SLTQALAKFD GNRFYFIAPD ALAMPEYILD DATA SEQUENCE MLDEKGIAWS LHSSIEEVMA EVDILYMTRV QKERLDPSEY 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 0.000 177.573 177.584 -0.019 0.000 1.274 1 A CA 0.000 51.968 52.037 -0.115 0.000 0.836 1 A CB 0.000 18.979 19.000 -0.035 0.000 0.831 2 N N 2.257 120.968 118.700 0.018 0.000 2.445 2 N HA 0.615 5.355 4.740 -0.000 0.000 0.264 2 N C -1.497 174.071 175.510 0.097 0.000 1.227 2 N CA -1.157 51.928 53.050 0.058 0.000 0.963 2 N CB 0.837 39.361 38.487 0.062 0.000 1.188 2 N HN 0.220 nan 8.380 nan 0.000 0.491 3 P HA -0.160 nan 4.420 nan 0.000 0.216 3 P C 0.947 178.288 177.300 0.069 0.000 1.150 3 P CA 1.305 64.442 63.100 0.062 0.000 0.837 3 P CB 0.131 31.858 31.700 0.045 0.000 0.786 4 L N -2.684 118.588 121.223 0.080 0.000 2.554 4 L HA 0.046 4.386 4.340 -0.000 0.000 0.226 4 L C 1.222 178.134 176.870 0.069 0.000 1.137 4 L CA -0.310 54.569 54.840 0.065 0.000 0.863 4 L CB -0.789 41.311 42.059 0.069 0.000 0.985 4 L HN -0.051 nan 8.230 nan 0.000 0.451 5 Y N 2.794 123.092 120.300 -0.003 0.000 2.770 5 Y HA -0.142 4.408 4.550 -0.000 0.000 0.342 5 Y C 0.913 176.795 175.900 -0.031 0.000 1.221 5 Y CA 0.367 58.461 58.100 -0.009 0.000 1.560 5 Y CB -0.096 38.361 38.460 -0.006 0.000 1.213 5 Y HN 0.212 nan 8.280 nan 0.000 0.525 6 Q N 2.229 121.658 119.800 -0.618 0.000 2.494 6 Q HA -0.274 4.066 4.340 -0.000 0.000 0.272 6 Q C -0.472 175.307 176.000 -0.368 0.000 1.145 6 Q CA 0.638 56.108 55.803 -0.555 0.000 0.943 6 Q CB -0.773 27.510 28.738 -0.759 0.000 1.338 6 Q HN 0.542 nan 8.270 nan 0.000 0.492 7 K N 0.798 121.052 120.400 -0.242 0.000 2.098 7 K HA 0.342 4.662 4.320 -0.000 0.000 0.261 7 K C -0.016 176.483 176.600 -0.169 0.000 0.987 7 K CA -0.411 55.756 56.287 -0.200 0.000 0.916 7 K CB 0.575 33.034 32.500 -0.068 0.000 1.039 7 K HN 0.111 nan 8.250 nan 0.000 0.455 8 H N 2.159 121.211 119.070 -0.031 0.000 2.620 8 H HA 0.216 4.772 4.556 -0.000 0.000 0.313 8 H C 0.099 175.428 175.328 0.003 0.000 1.075 8 H CA -0.287 55.748 56.048 -0.022 0.000 1.397 8 H CB 0.704 30.450 29.762 -0.028 0.000 1.446 8 H HN 0.221 nan 8.280 nan 0.000 0.493 9 I N 5.780 126.433 120.570 0.138 0.000 2.417 9 I HA -0.012 4.158 4.170 -0.000 0.000 0.283 9 I C 0.977 177.155 176.117 0.102 0.000 1.121 9 I CA -0.096 61.271 61.300 0.111 0.000 1.211 9 I CB -0.080 37.992 38.000 0.120 0.000 1.492 9 I HN 0.470 nan 8.210 nan 0.000 0.522 10 I N 1.248 121.868 120.570 0.084 0.000 2.556 10 I HA 0.060 4.230 4.170 -0.000 0.000 0.251 10 I C 1.165 177.320 176.117 0.064 0.000 1.105 10 I CA 0.952 62.284 61.300 0.054 0.000 1.436 10 I CB -0.216 37.795 38.000 0.018 0.000 1.139 10 I HN 0.372 nan 8.210 nan 0.000 0.438 11 S N 0.364 116.103 115.700 0.064 0.000 2.536 11 S HA 0.460 4.930 4.470 -0.000 0.000 0.287 11 S C 0.655 175.298 174.600 0.073 0.000 1.101 11 S CA -0.615 57.626 58.200 0.068 0.000 0.950 11 S CB 1.542 64.768 63.200 0.043 0.000 1.056 11 S HN 0.062 nan 8.310 nan 0.000 0.481 12 I N 3.703 124.323 120.570 0.083 0.000 3.001 12 I HA -0.031 4.139 4.170 -0.000 0.000 0.268 12 I C 1.787 177.939 176.117 0.058 0.000 1.267 12 I CA 0.843 62.190 61.300 0.078 0.000 1.472 12 I CB -1.171 36.881 38.000 0.087 0.000 1.089 12 I HN 0.672 nan 8.210 nan 0.000 0.468 13 N N 1.139 119.869 118.700 0.049 0.000 2.459 13 N HA -0.132 4.608 4.740 -0.000 0.000 0.181 13 N C 0.974 176.499 175.510 0.024 0.000 1.046 13 N CA 0.889 53.958 53.050 0.032 0.000 0.904 13 N CB 0.143 38.647 38.487 0.029 0.000 0.964 13 N HN 0.229 nan 8.380 nan 0.000 0.444 14 D N -0.715 119.704 120.400 0.031 0.000 2.349 14 D HA 0.128 4.768 4.640 -0.000 0.000 0.214 14 D C -0.109 176.209 176.300 0.029 0.000 1.063 14 D CA 0.220 54.236 54.000 0.027 0.000 0.847 14 D CB 0.627 41.447 40.800 0.033 0.000 0.933 14 D HN 0.274 nan 8.370 nan 0.000 0.513 15 L N 0.388 121.631 121.223 0.034 0.000 2.333 15 L HA 0.401 4.741 4.340 -0.000 0.000 0.269 15 L C 0.559 177.438 176.870 0.015 0.000 1.010 15 L CA -0.892 53.968 54.840 0.033 0.000 0.818 15 L CB 2.005 44.096 42.059 0.053 0.000 1.306 15 L HN -0.196 nan 8.230 nan 0.000 0.430 16 S N 0.439 116.140 115.700 0.002 0.000 2.713 16 S HA 0.383 4.853 4.470 -0.000 0.000 0.283 16 S C 0.856 175.420 174.600 -0.059 0.000 1.161 16 S CA -0.744 57.436 58.200 -0.034 0.000 0.999 16 S CB 1.742 64.923 63.200 -0.031 0.000 1.039 16 S HN 0.743 nan 8.310 nan 0.000 0.548 17 R N 0.399 120.808 120.500 -0.153 0.000 2.105 17 R HA -0.157 4.183 4.340 -0.000 0.000 0.239 17 R C 0.878 177.109 176.300 -0.116 0.000 1.135 17 R CA 2.112 58.029 56.100 -0.303 0.000 0.967 17 R CB -0.662 29.338 30.300 -0.500 0.000 0.861 17 R HN 0.772 nan 8.270 nan 0.000 0.442 18 D N 0.410 120.777 120.400 -0.055 0.000 2.123 18 D HA -0.129 4.511 4.640 -0.000 0.000 0.200 18 D C 1.345 177.669 176.300 0.041 0.000 0.976 18 D CA 1.027 55.031 54.000 0.006 0.000 0.831 18 D CB -0.232 40.570 40.800 0.003 0.000 0.974 18 D HN 0.268 nan 8.370 nan 0.000 0.469 19 D N 1.088 121.508 120.400 0.034 0.000 2.092 19 D HA -0.118 4.522 4.640 -0.000 0.000 0.193 19 D C 2.448 178.798 176.300 0.084 0.000 0.994 19 D CA 0.539 54.571 54.000 0.054 0.000 0.828 19 D CB -0.465 40.363 40.800 0.046 0.000 0.963 19 D HN 0.220 nan 8.370 nan 0.000 0.450 20 L N 0.415 121.700 121.223 0.104 0.000 2.042 20 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 20 L C 2.067 179.054 176.870 0.195 0.000 1.076 20 L CA 1.194 56.138 54.840 0.172 0.000 0.749 20 L CB -0.533 41.677 42.059 0.252 0.000 0.893 20 L HN 0.047 nan 8.230 nan 0.000 0.432 21 N N -0.237 118.578 118.700 0.192 0.000 2.188 21 N HA -0.188 4.552 4.740 -0.000 0.000 0.184 21 N C 1.753 177.341 175.510 0.130 0.000 1.018 21 N CA 0.584 53.746 53.050 0.187 0.000 0.858 21 N CB -0.026 38.568 38.487 0.179 0.000 0.989 21 N HN 0.133 nan 8.380 nan 0.000 0.426 22 L N 0.560 121.844 121.223 0.101 0.000 2.201 22 L HA -0.050 4.290 4.340 -0.000 0.000 0.212 22 L C 1.659 178.576 176.870 0.077 0.000 1.105 22 L CA 1.220 56.108 54.840 0.080 0.000 0.775 22 L CB -0.127 41.972 42.059 0.066 0.000 0.913 22 L HN -0.025 nan 8.230 nan 0.000 0.440 23 V N -0.533 119.432 119.914 0.085 0.000 2.407 23 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 23 V C 2.412 178.536 176.094 0.050 0.000 1.041 23 V CA 1.669 64.006 62.300 0.062 0.000 1.040 23 V CB -0.480 31.383 31.823 0.066 0.000 0.671 23 V HN 0.416 nan 8.190 nan 0.000 0.455 24 L N 0.461 121.752 121.223 0.114 0.000 2.056 24 L HA -0.082 4.257 4.340 -0.000 0.000 0.207 24 L C 2.793 179.760 176.870 0.161 0.000 1.078 24 L CA 1.514 56.469 54.840 0.192 0.000 0.749 24 L CB -1.096 41.135 42.059 0.287 0.000 0.901 24 L HN 0.324 nan 8.230 nan 0.000 0.433 25 A N 0.564 123.457 122.820 0.122 0.000 1.865 25 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 25 A C 2.421 180.044 177.584 0.066 0.000 1.191 25 A CA 2.569 54.664 52.037 0.096 0.000 0.623 25 A CB -1.103 17.944 19.000 0.077 0.000 0.826 25 A HN 0.417 nan 8.150 nan 0.000 0.444 26 T N 0.439 115.019 114.554 0.045 0.000 2.746 26 T HA -0.010 4.339 4.350 -0.000 0.000 0.267 26 T C 2.200 176.892 174.700 -0.014 0.000 1.039 26 T CA 1.606 63.719 62.100 0.022 0.000 1.142 26 T CB -0.535 68.347 68.868 0.024 0.000 0.866 26 T HN 0.615 nan 8.240 nan 0.000 0.444 27 A N 1.718 124.489 122.820 -0.081 0.000 1.883 27 A HA 0.099 4.419 4.320 -0.000 0.000 0.217 27 A C 2.706 180.172 177.584 -0.195 0.000 1.186 27 A CA 1.942 53.825 52.037 -0.257 0.000 0.624 27 A CB -1.249 17.341 19.000 -0.683 0.000 0.822 27 A HN 0.521 nan 8.150 nan 0.000 0.444 28 A N -0.433 122.395 122.820 0.013 0.000 1.908 28 A HA -0.213 4.106 4.320 -0.000 0.000 0.218 28 A C 2.144 179.752 177.584 0.040 0.000 1.181 28 A CA 2.053 54.198 52.037 0.181 0.000 0.627 28 A CB -0.430 18.707 19.000 0.229 0.000 0.818 28 A HN 0.566 nan 8.150 nan 0.000 0.445 29 K N -0.685 119.727 120.400 0.021 0.000 2.031 29 K HA 0.086 4.406 4.320 -0.000 0.000 0.205 29 K C 1.843 178.440 176.600 -0.005 0.000 1.049 29 K CA 1.176 57.469 56.287 0.009 0.000 0.939 29 K CB -0.296 32.215 32.500 0.020 0.000 0.717 29 K HN 0.444 nan 8.250 nan 0.000 0.438 30 L N 1.052 122.275 121.223 -0.000 0.000 2.201 30 L HA -0.154 4.186 4.340 -0.000 0.000 0.212 30 L C 2.445 179.319 176.870 0.006 0.000 1.105 30 L CA 1.027 55.887 54.840 0.033 0.000 0.775 30 L CB -0.231 41.873 42.059 0.074 0.000 0.913 30 L HN 0.151 nan 8.230 nan 0.000 0.440 31 K N 0.221 120.533 120.400 -0.145 0.000 2.147 31 K HA -0.161 4.159 4.320 -0.000 0.000 0.205 31 K C 1.975 178.424 176.600 -0.252 0.000 1.049 31 K CA 1.319 57.312 56.287 -0.489 0.000 0.936 31 K CB 0.047 32.111 32.500 -0.727 0.000 0.722 31 K HN 0.301 nan 8.250 nan 0.000 0.446 32 A N 0.409 123.158 122.820 -0.120 0.000 1.924 32 A HA 0.014 4.333 4.320 -0.000 0.000 0.211 32 A C 0.770 178.341 177.584 -0.023 0.000 1.198 32 A CA 0.562 52.561 52.037 -0.062 0.000 0.657 32 A CB 0.011 18.989 19.000 -0.037 0.000 0.852 32 A HN 0.418 nan 8.150 nan 0.000 0.454 33 N N 0.796 119.490 118.700 -0.009 0.000 2.664 33 N HA 0.274 5.014 4.740 -0.000 0.000 0.257 33 N C -3.308 172.216 175.510 0.024 0.000 1.108 33 N CA -1.381 51.674 53.050 0.009 0.000 0.822 33 N CB 1.633 40.125 38.487 0.008 0.000 1.199 33 N HN -0.021 nan 8.380 nan 0.000 0.529 34 P HA 0.085 nan 4.420 nan 0.000 0.269 34 P C -0.977 176.348 177.300 0.043 0.000 1.215 34 P CA 0.051 63.184 63.100 0.055 0.000 0.780 34 P CB 0.703 32.443 31.700 0.066 0.000 0.898 35 Q N 2.065 121.892 119.800 0.046 0.000 2.674 35 Q HA 0.218 4.558 4.340 -0.000 0.000 0.249 35 Q C -2.048 173.972 176.000 0.033 0.000 1.011 35 Q CA -1.513 54.310 55.803 0.034 0.000 0.734 35 Q CB 1.467 30.224 28.738 0.033 0.000 1.201 35 Q HN 0.323 nan 8.270 nan 0.000 0.498 36 P HA -0.091 nan 4.420 nan 0.000 0.236 36 P C -0.195 177.113 177.300 0.013 0.000 1.172 36 P CA 1.082 64.198 63.100 0.026 0.000 0.759 36 P CB 0.405 32.119 31.700 0.023 0.000 0.843 37 E N -1.829 118.375 120.200 0.006 0.000 3.254 37 E HA 0.168 4.518 4.350 -0.000 0.000 0.184 37 E C 0.860 177.454 176.600 -0.010 0.000 0.967 37 E CA -0.076 56.315 56.400 -0.014 0.000 1.311 37 E CB -0.166 29.514 29.700 -0.034 0.000 1.071 37 E HN 0.130 nan 8.360 nan 0.000 0.456 38 L N 0.069 121.298 121.223 0.009 0.000 2.056 38 L HA -0.043 4.297 4.340 -0.000 0.000 0.207 38 L C 1.524 178.406 176.870 0.019 0.000 1.078 38 L CA 1.228 56.080 54.840 0.019 0.000 0.749 38 L CB -0.109 41.969 42.059 0.032 0.000 0.901 38 L HN 0.273 nan 8.230 nan 0.000 0.433 39 L N 0.031 121.263 121.223 0.016 0.000 2.851 39 L HA 0.150 4.490 4.340 -0.000 0.000 0.237 39 L C 0.555 177.421 176.870 -0.006 0.000 1.257 39 L CA -0.125 54.727 54.840 0.020 0.000 1.061 39 L CB -0.303 41.773 42.059 0.030 0.000 1.372 39 L HN 0.049 nan 8.230 nan 0.000 0.493 40 K N 0.905 121.270 120.400 -0.058 0.000 2.412 40 K HA 0.037 4.357 4.320 -0.000 0.000 0.284 40 K C -0.034 176.454 176.600 -0.186 0.000 1.046 40 K CA 0.352 56.522 56.287 -0.196 0.000 0.999 40 K CB -0.013 32.308 32.500 -0.298 0.000 0.941 40 K HN 0.367 nan 8.250 nan 0.000 0.474 41 H N 0.769 119.860 119.070 0.036 0.000 3.164 41 H HA -0.120 4.436 4.556 -0.000 0.000 0.223 41 H C -0.715 174.633 175.328 0.034 0.000 1.177 41 H CA 0.379 56.447 56.048 0.034 0.000 1.120 41 H CB -0.477 29.304 29.762 0.032 0.000 1.192 41 H HN 0.436 nan 8.280 nan 0.000 0.313 42 K N 1.322 121.795 120.400 0.122 0.000 2.164 42 K HA 0.624 4.944 4.320 -0.000 0.000 0.258 42 K C -0.144 176.493 176.600 0.061 0.000 0.951 42 K CA -0.769 55.568 56.287 0.083 0.000 0.844 42 K CB 2.785 35.320 32.500 0.059 0.000 1.099 42 K HN -0.037 nan 8.250 nan 0.000 0.435 43 V N 4.366 124.313 119.914 0.055 0.000 2.409 43 V HA 0.457 4.577 4.120 -0.000 0.000 0.291 43 V C 0.042 176.152 176.094 0.026 0.000 1.020 43 V CA -0.796 61.529 62.300 0.042 0.000 0.848 43 V CB 1.203 33.059 31.823 0.056 0.000 0.990 43 V HN 0.587 nan 8.190 nan 0.000 0.430 44 I N 3.691 124.261 120.570 -0.001 0.000 2.441 44 I HA 0.724 4.894 4.170 -0.000 0.000 0.295 44 I C 0.437 176.534 176.117 -0.033 0.000 0.994 44 I CA -0.612 60.674 61.300 -0.023 0.000 1.144 44 I CB 1.971 39.945 38.000 -0.044 0.000 1.314 44 I HN 0.661 nan 8.210 nan 0.000 0.445 45 A N 3.963 126.759 122.820 -0.040 0.000 2.309 45 A HA 0.557 4.877 4.320 -0.000 0.000 0.298 45 A C -0.132 177.379 177.584 -0.121 0.000 1.165 45 A CA -0.319 51.682 52.037 -0.060 0.000 0.821 45 A CB 0.984 19.962 19.000 -0.037 0.000 1.102 45 A HN 0.597 nan 8.150 nan 0.000 0.500 46 S N 1.573 117.193 115.700 -0.133 0.000 2.577 46 S HA 0.396 4.866 4.470 -0.000 0.000 0.294 46 S C -0.876 173.594 174.600 -0.217 0.000 1.161 46 S CA -0.463 57.693 58.200 -0.073 0.000 1.143 46 S CB -0.408 62.806 63.200 0.024 0.000 0.991 46 S HN 0.715 nan 8.310 nan 0.000 0.475 47 C N 6.202 125.261 119.300 -0.402 0.000 2.184 47 C HA 0.496 4.956 4.460 -0.000 0.000 0.328 47 C C -0.483 174.125 174.990 -0.636 0.000 1.081 47 C CA -0.849 57.636 59.018 -0.888 0.000 1.533 47 C CB -1.847 25.486 27.740 -0.677 0.000 1.905 47 C HN 0.789 nan 8.230 nan 0.000 0.439 48 F N 2.589 122.254 119.950 -0.475 0.000 2.371 48 F HA 0.377 4.903 4.527 -0.000 0.000 0.363 48 F C 0.674 176.437 175.800 -0.061 0.000 1.122 48 F CA -0.759 57.165 58.000 -0.126 0.000 1.129 48 F CB 0.416 39.379 39.000 -0.061 0.000 1.173 48 F HN 0.525 nan 8.300 nan 0.000 0.489 49 F N 0.424 120.450 119.950 0.127 0.000 2.765 49 F HA 0.186 4.713 4.527 -0.000 0.000 0.302 49 F C 0.893 176.705 175.800 0.020 0.000 1.111 49 F CA 0.067 58.126 58.000 0.099 0.000 1.359 49 F CB 0.062 39.042 39.000 -0.032 0.000 1.097 49 F HN 0.343 nan 8.300 nan 0.000 0.577 50 E N 0.024 120.354 120.200 0.216 0.000 2.343 50 E HA 0.654 5.004 4.350 -0.000 0.000 0.270 50 E C -0.743 175.976 176.600 0.197 0.000 0.895 50 E CA -1.087 55.404 56.400 0.152 0.000 0.767 50 E CB 2.171 31.935 29.700 0.107 0.000 1.248 50 E HN -0.020 nan 8.360 nan 0.000 0.440 51 A N 1.662 124.563 122.820 0.134 0.000 2.520 51 A HA 0.332 4.652 4.320 -0.000 0.000 0.235 51 A C -0.148 177.521 177.584 0.142 0.000 1.065 51 A CA 0.560 52.667 52.037 0.115 0.000 0.764 51 A CB 0.475 19.518 19.000 0.073 0.000 1.002 51 A HN 0.317 nan 8.150 nan 0.000 0.502 52 S N 0.236 115.984 115.700 0.080 0.000 2.543 52 S HA 0.577 5.047 4.470 -0.000 0.000 0.273 52 S C 0.382 174.954 174.600 -0.045 0.000 1.152 52 S CA 0.090 58.315 58.200 0.043 0.000 0.910 52 S CB 1.398 64.602 63.200 0.005 0.000 1.105 52 S HN 0.782 nan 8.310 nan 0.000 0.465 53 T N 3.723 118.273 114.554 -0.006 0.000 3.286 53 T HA 0.209 4.559 4.350 -0.000 0.000 0.237 53 T C 1.751 176.440 174.700 -0.020 0.000 0.969 53 T CA 0.156 62.244 62.100 -0.021 0.000 1.298 53 T CB -0.241 68.630 68.868 0.005 0.000 1.053 53 T HN 0.528 nan 8.240 nan 0.000 0.402 54 R N 0.979 121.497 120.500 0.030 0.000 2.062 54 R HA 0.006 4.345 4.340 -0.000 0.000 0.231 54 R C 2.707 179.043 176.300 0.059 0.000 1.136 54 R CA 1.819 57.946 56.100 0.044 0.000 0.948 54 R CB -0.751 29.599 30.300 0.083 0.000 0.845 54 R HN 0.256 nan 8.270 nan 0.000 0.430 55 T N 0.568 115.206 114.554 0.140 0.000 2.720 55 T HA -0.206 4.144 4.350 -0.000 0.000 0.268 55 T C 1.778 176.614 174.700 0.226 0.000 1.037 55 T CA 1.659 63.918 62.100 0.264 0.000 1.144 55 T CB -0.182 68.982 68.868 0.492 0.000 0.864 55 T HN 0.280 nan 8.240 nan 0.000 0.444 56 R N 0.576 120.990 120.500 -0.144 0.000 2.062 56 R HA 0.092 4.432 4.340 -0.000 0.000 0.229 56 R C 2.402 178.618 176.300 -0.140 0.000 1.128 56 R CA 0.922 56.741 56.100 -0.468 0.000 0.960 56 R CB -0.337 29.185 30.300 -1.298 0.000 0.855 56 R HN 0.334 nan 8.270 nan 0.000 0.432 57 L N 1.019 122.177 121.223 -0.108 0.000 2.093 57 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 57 L C 2.683 179.552 176.870 -0.002 0.000 1.085 57 L CA 1.520 56.334 54.840 -0.043 0.000 0.755 57 L CB -0.614 41.417 42.059 -0.047 0.000 0.904 57 L HN 0.386 nan 8.230 nan 0.000 0.435 58 S N -0.329 115.367 115.700 -0.007 0.000 2.368 58 S HA -0.161 4.309 4.470 -0.000 0.000 0.224 58 S C 1.972 176.556 174.600 -0.027 0.000 1.029 58 S CA 0.785 58.953 58.200 -0.053 0.000 0.988 58 S CB -0.783 62.354 63.200 -0.104 0.000 0.838 58 S HN 0.314 nan 8.310 nan 0.000 0.462 59 F N 2.155 122.102 119.950 -0.005 0.000 2.113 59 F HA -0.043 4.484 4.527 -0.000 0.000 0.297 59 F C 3.081 178.864 175.800 -0.027 0.000 1.103 59 F CA 1.533 59.541 58.000 0.013 0.000 1.248 59 F CB -0.200 38.851 39.000 0.085 0.000 0.999 59 F HN 0.243 nan 8.300 nan 0.000 0.475 60 Q N -0.797 119.104 119.800 0.168 0.000 2.167 60 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 60 Q C 2.012 178.044 176.000 0.054 0.000 0.970 60 Q CA 1.883 57.713 55.803 0.045 0.000 0.855 60 Q CB -0.387 28.373 28.738 0.038 0.000 0.911 60 Q HN 0.352 nan 8.270 nan 0.000 0.438 61 T N 0.446 115.048 114.554 0.080 0.000 2.737 61 T HA -0.116 4.234 4.350 -0.000 0.000 0.265 61 T C 2.122 176.853 174.700 0.052 0.000 1.038 61 T CA 1.350 63.503 62.100 0.089 0.000 1.144 61 T CB -0.209 68.668 68.868 0.015 0.000 0.866 61 T HN 0.169 nan 8.240 nan 0.000 0.434 62 S N 1.271 116.977 115.700 0.009 0.000 2.374 62 S HA -0.097 4.373 4.470 -0.000 0.000 0.227 62 S C 2.103 176.718 174.600 0.025 0.000 1.037 62 S CA 1.301 59.500 58.200 -0.003 0.000 1.024 62 S CB -0.417 62.769 63.200 -0.023 0.000 0.861 62 S HN 0.426 nan 8.310 nan 0.000 0.456 63 M N 0.045 119.647 119.600 0.003 0.000 2.117 63 M HA -0.139 4.341 4.480 -0.000 0.000 0.262 63 M C 1.956 178.197 176.300 -0.098 0.000 1.065 63 M CA 1.630 56.886 55.300 -0.072 0.000 1.114 63 M CB -0.521 31.972 32.600 -0.178 0.000 1.361 63 M HN 0.407 nan 8.290 nan 0.000 0.408 64 H N -0.913 118.175 119.070 0.031 0.000 2.436 64 H HA 0.076 4.632 4.556 -0.000 0.000 0.294 64 H C 2.112 177.448 175.328 0.013 0.000 1.048 64 H CA 0.568 56.627 56.048 0.018 0.000 1.353 64 H CB 0.157 29.925 29.762 0.010 0.000 1.414 64 H HN 0.118 nan 8.280 nan 0.000 0.536 65 R N 0.626 121.198 120.500 0.119 0.000 2.152 65 R HA -0.038 4.302 4.340 -0.000 0.000 0.232 65 R C 1.360 177.696 176.300 0.060 0.000 1.117 65 R CA 0.772 56.917 56.100 0.075 0.000 0.981 65 R CB -0.319 30.012 30.300 0.052 0.000 0.870 65 R HN 0.385 nan 8.270 nan 0.000 0.451 66 L N -0.278 120.976 121.223 0.053 0.000 2.653 66 L HA 0.208 4.548 4.340 -0.000 0.000 0.231 66 L C 0.941 177.828 176.870 0.029 0.000 1.153 66 L CA 0.256 55.120 54.840 0.039 0.000 0.933 66 L CB 0.155 42.237 42.059 0.038 0.000 1.175 66 L HN 0.314 nan 8.230 nan 0.000 0.473 67 G N 0.419 109.243 108.800 0.039 0.000 2.175 67 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.265 67 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.265 67 G C 0.464 175.376 174.900 0.020 0.000 0.979 67 G CA 0.320 45.436 45.100 0.027 0.000 0.663 67 G HN 0.525 nan 8.290 nan 0.000 0.533 68 A N -0.479 122.350 122.820 0.014 0.000 2.272 68 A HA 0.847 5.167 4.320 -0.000 0.000 0.275 68 A C 0.732 178.318 177.584 0.003 0.000 1.096 68 A CA 0.782 52.822 52.037 0.004 0.000 0.822 68 A CB 0.784 19.776 19.000 -0.015 0.000 1.088 68 A HN 1.004 nan 8.150 nan 0.000 0.495 69 S N -1.376 114.332 115.700 0.014 0.000 2.681 69 S HA 0.687 5.157 4.470 -0.000 0.000 0.299 69 S C -0.656 173.928 174.600 -0.027 0.000 1.113 69 S CA -0.554 57.667 58.200 0.035 0.000 1.013 69 S CB 1.634 64.876 63.200 0.070 0.000 1.076 69 S HN 0.668 nan 8.310 nan 0.000 0.534 70 V N 1.600 121.511 119.914 -0.006 0.000 2.789 70 V HA 0.760 4.880 4.120 -0.000 0.000 0.311 70 V C -0.502 175.604 176.094 0.020 0.000 1.073 70 V CA -0.757 61.528 62.300 -0.026 0.000 0.921 70 V CB 1.622 33.394 31.823 -0.084 0.000 1.009 70 V HN 0.819 nan 8.190 nan 0.000 0.426 71 V N 0.568 120.487 119.914 0.008 0.000 3.040 71 V HA 1.164 5.284 4.120 -0.000 0.000 0.312 71 V C 0.027 176.119 176.094 -0.004 0.000 1.115 71 V CA 0.143 62.458 62.300 0.024 0.000 0.998 71 V CB 1.502 33.349 31.823 0.041 0.000 1.042 71 V HN 1.653 nan 8.190 nan 0.000 0.433 72 G N 1.202 110.008 108.800 0.010 0.000 2.351 72 G HA2 0.549 4.509 3.960 -0.000 0.000 0.279 72 G HA3 0.549 4.509 3.960 -0.000 0.000 0.279 72 G C -1.565 173.344 174.900 0.016 0.000 1.297 72 G CA -0.092 44.945 45.100 -0.105 0.000 0.886 72 G HN 2.117 nan 8.290 nan 0.000 0.493 73 F N -1.519 118.418 119.950 -0.021 0.000 2.626 73 F HA 0.774 5.301 4.527 -0.000 0.000 0.311 73 F C 0.644 176.432 175.800 -0.020 0.000 1.088 73 F CA -0.399 57.571 58.000 -0.050 0.000 0.949 73 F CB 1.863 40.796 39.000 -0.112 0.000 1.322 73 F HN 0.695 nan 8.300 nan 0.000 0.461 74 S N -1.422 114.397 115.700 0.198 0.000 2.603 74 S HA 0.293 4.763 4.470 -0.000 0.000 0.232 74 S C -0.720 173.975 174.600 0.159 0.000 1.016 74 S CA -0.001 58.278 58.200 0.132 0.000 0.976 74 S CB -0.089 63.123 63.200 0.021 0.000 0.921 74 S HN 0.699 nan 8.310 nan 0.000 0.516 75 D N 1.568 122.081 120.400 0.189 0.000 2.470 75 D HA 0.268 4.907 4.640 -0.000 0.000 0.233 75 D C 0.686 176.965 176.300 -0.034 0.000 1.372 75 D CA -0.155 53.895 54.000 0.084 0.000 0.994 75 D CB 1.765 42.591 40.800 0.043 0.000 1.377 75 D HN 0.029 nan 8.370 nan 0.000 0.586 76 S N 2.011 117.663 115.700 -0.081 0.000 2.547 76 S HA -0.062 4.408 4.470 -0.000 0.000 0.235 76 S C 1.888 176.382 174.600 -0.176 0.000 0.980 76 S CA 0.719 58.759 58.200 -0.267 0.000 0.941 76 S CB -0.050 63.184 63.200 0.058 0.000 0.763 76 S HN 0.435 nan 8.310 nan 0.000 0.532 77 A N 2.225 124.987 122.820 -0.096 0.000 2.019 77 A HA -0.001 4.319 4.320 -0.000 0.000 0.219 77 A C 1.832 179.366 177.584 -0.082 0.000 1.164 77 A CA 1.423 53.422 52.037 -0.064 0.000 0.644 77 A CB -0.664 18.317 19.000 -0.032 0.000 0.805 77 A HN 0.718 nan 8.150 nan 0.000 0.449 78 N N -0.951 117.677 118.700 -0.119 0.000 2.203 78 N HA 0.075 4.815 4.740 -0.000 0.000 0.207 78 N C 0.346 175.765 175.510 -0.152 0.000 1.130 78 N CA 0.467 53.454 53.050 -0.106 0.000 0.861 78 N CB 0.518 38.962 38.487 -0.072 0.000 1.005 78 N HN 0.560 nan 8.380 nan 0.000 0.507 79 T N -3.047 111.358 114.554 -0.248 0.000 2.788 79 T HA 0.220 4.570 4.350 -0.000 0.000 0.280 79 T C 1.190 175.808 174.700 -0.136 0.000 0.984 79 T CA -0.532 61.400 62.100 -0.280 0.000 0.972 79 T CB 1.388 69.930 68.868 -0.543 0.000 1.039 79 T HN -0.231 nan 8.240 nan 0.000 0.530 80 S N -0.188 115.458 115.700 -0.091 0.000 2.527 80 S HA 0.089 4.559 4.470 -0.000 0.000 0.222 80 S C 1.681 176.260 174.600 -0.036 0.000 0.985 80 S CA -0.037 58.136 58.200 -0.045 0.000 0.921 80 S CB -0.642 62.546 63.200 -0.020 0.000 0.772 80 S HN 0.621 nan 8.310 nan 0.000 0.529 81 L N 1.187 122.387 121.223 -0.039 0.000 2.109 81 L HA 0.090 4.430 4.340 -0.000 0.000 0.207 81 L C 2.156 179.023 176.870 -0.005 0.000 1.086 81 L CA 1.339 56.179 54.840 -0.000 0.000 0.760 81 L CB -0.695 41.407 42.059 0.072 0.000 0.910 81 L HN 0.360 nan 8.230 nan 0.000 0.437 82 G N -0.536 108.244 108.800 -0.034 0.000 2.394 82 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.215 82 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.215 82 G C 1.532 176.416 174.900 -0.027 0.000 1.165 82 G CA 0.366 45.449 45.100 -0.029 0.000 0.784 82 G HN 0.183 nan 8.290 nan 0.000 0.535 83 K N 0.092 120.471 120.400 -0.035 0.000 2.365 83 K HA 0.159 4.479 4.320 -0.000 0.000 0.195 83 K C 1.708 178.296 176.600 -0.020 0.000 1.079 83 K CA 0.370 56.642 56.287 -0.026 0.000 0.979 83 K CB 0.498 32.980 32.500 -0.029 0.000 0.929 83 K HN 0.276 nan 8.250 nan 0.000 0.523 84 K N -0.001 120.386 120.400 -0.021 0.000 2.358 84 K HA 0.191 4.511 4.320 -0.000 0.000 0.200 84 K C 0.419 177.009 176.600 -0.016 0.000 1.030 84 K CA 0.430 56.708 56.287 -0.016 0.000 1.097 84 K CB 0.945 33.437 32.500 -0.014 0.000 0.862 84 K HN 0.161 nan 8.250 nan 0.000 0.534 85 G N 2.722 111.513 108.800 -0.016 0.000 2.182 85 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.248 85 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.248 85 G C -0.367 174.520 174.900 -0.022 0.000 1.042 85 G CA 0.080 45.170 45.100 -0.017 0.000 0.775 85 G HN 0.454 nan 8.290 nan 0.000 0.501 86 E N 0.996 121.183 120.200 -0.022 0.000 2.331 86 E HA 0.534 4.884 4.350 -0.000 0.000 0.272 86 E C 1.401 177.976 176.600 -0.042 0.000 1.036 86 E CA 0.127 56.508 56.400 -0.031 0.000 0.864 86 E CB 0.540 30.228 29.700 -0.020 0.000 1.035 86 E HN 0.434 nan 8.360 nan 0.000 0.408 87 T N 1.390 115.899 114.554 -0.074 0.000 2.754 87 T HA 0.058 4.408 4.350 -0.000 0.000 0.286 87 T C 1.056 175.677 174.700 -0.131 0.000 0.997 87 T CA -0.687 61.347 62.100 -0.110 0.000 0.982 87 T CB 0.790 69.568 68.868 -0.149 0.000 1.027 87 T HN 0.520 nan 8.240 nan 0.000 0.529 88 L N 1.225 122.341 121.223 -0.179 0.000 2.072 88 L HA 0.216 4.555 4.340 -0.000 0.000 0.205 88 L C 2.765 179.466 176.870 -0.282 0.000 1.079 88 L CA 2.050 56.765 54.840 -0.209 0.000 0.752 88 L CB -1.470 40.404 42.059 -0.309 0.000 0.906 88 L HN 0.921 nan 8.230 nan 0.000 0.436 89 A N -0.191 122.347 122.820 -0.470 0.000 1.884 89 A HA -0.299 4.021 4.320 -0.000 0.000 0.219 89 A C 1.998 179.232 177.584 -0.583 0.000 1.197 89 A CA 2.324 53.787 52.037 -0.957 0.000 0.637 89 A CB -1.113 17.071 19.000 -1.360 0.000 0.827 89 A HN 0.546 nan 8.150 nan 0.000 0.450 90 D N -0.935 119.255 120.400 -0.350 0.000 2.144 90 D HA -0.066 4.574 4.640 -0.000 0.000 0.199 90 D C 2.067 178.308 176.300 -0.098 0.000 0.984 90 D CA 1.675 55.570 54.000 -0.176 0.000 0.834 90 D CB -0.689 40.040 40.800 -0.118 0.000 0.955 90 D HN 0.456 nan 8.370 nan 0.000 0.465 91 T N 1.220 115.733 114.554 -0.068 0.000 2.674 91 T HA -0.097 4.252 4.350 -0.000 0.000 0.265 91 T C 1.924 176.643 174.700 0.031 0.000 1.039 91 T CA 0.557 62.674 62.100 0.029 0.000 1.150 91 T CB -0.035 68.915 68.868 0.136 0.000 0.864 91 T HN 0.082 nan 8.240 nan 0.000 0.427 92 I N 1.665 122.238 120.570 0.005 0.000 2.315 92 I HA -0.084 4.086 4.170 -0.000 0.000 0.248 92 I C 2.595 178.716 176.117 0.007 0.000 1.117 92 I CA 1.061 62.375 61.300 0.024 0.000 1.404 92 I CB -1.511 36.510 38.000 0.035 0.000 1.071 92 I HN 0.179 nan 8.210 nan 0.000 0.419 93 S N 1.125 116.823 115.700 -0.004 0.000 2.359 93 S HA -0.139 4.331 4.470 -0.000 0.000 0.224 93 S C 2.175 176.730 174.600 -0.074 0.000 1.035 93 S CA 1.787 59.996 58.200 0.014 0.000 1.018 93 S CB -0.534 62.689 63.200 0.038 0.000 0.876 93 S HN 0.505 nan 8.310 nan 0.000 0.448 94 V N 0.188 120.028 119.914 -0.124 0.000 2.407 94 V HA 0.066 4.186 4.120 -0.000 0.000 0.245 94 V C 1.890 177.658 176.094 -0.544 0.000 1.041 94 V CA 1.178 63.310 62.300 -0.279 0.000 1.040 94 V CB -0.897 30.821 31.823 -0.175 0.000 0.671 94 V HN 0.427 nan 8.190 nan 0.000 0.455 95 I N 2.562 122.949 120.570 -0.304 0.000 2.454 95 I HA -0.191 3.979 4.170 -0.000 0.000 0.254 95 I C 2.746 178.721 176.117 -0.236 0.000 1.156 95 I CA 1.883 63.019 61.300 -0.273 0.000 1.433 95 I CB -0.346 37.669 38.000 0.025 0.000 1.082 95 I HN 0.589 nan 8.210 nan 0.000 0.432 96 S N -0.511 115.092 115.700 -0.162 0.000 2.555 96 S HA -0.112 4.358 4.470 -0.000 0.000 0.230 96 S C 1.878 176.419 174.600 -0.098 0.000 0.978 96 S CA 1.078 59.230 58.200 -0.080 0.000 0.934 96 S CB -0.799 62.387 63.200 -0.025 0.000 0.766 96 S HN 0.581 nan 8.310 nan 0.000 0.533 97 T N -2.383 112.044 114.554 -0.212 0.000 3.081 97 T HA 0.193 4.542 4.350 -0.000 0.000 0.255 97 T C 1.179 175.896 174.700 0.029 0.000 1.113 97 T CA 0.003 62.031 62.100 -0.120 0.000 1.082 97 T CB -0.406 68.393 68.868 -0.114 0.000 0.939 97 T HN 0.432 nan 8.240 nan 0.000 0.506 98 Y N 1.937 122.256 120.300 0.032 0.000 2.464 98 Y HA 0.458 5.008 4.550 -0.000 0.000 0.288 98 Y C 1.430 177.345 175.900 0.025 0.000 1.133 98 Y CA -1.046 57.072 58.100 0.030 0.000 1.223 98 Y CB -0.484 37.996 38.460 0.034 0.000 1.187 98 Y HN 0.287 nan 8.280 nan 0.000 0.539 99 V N -2.305 117.705 119.914 0.160 0.000 3.177 99 V HA 0.491 4.611 4.120 -0.000 0.000 0.319 99 V C 0.349 176.475 176.094 0.054 0.000 1.125 99 V CA -0.736 61.622 62.300 0.097 0.000 1.029 99 V CB 2.088 33.959 31.823 0.079 0.000 1.119 99 V HN 0.015 nan 8.190 nan 0.000 0.452 100 D N 0.891 121.315 120.400 0.040 0.000 2.301 100 D HA 0.443 5.083 4.640 -0.000 0.000 0.206 100 D C 0.639 176.940 176.300 0.003 0.000 0.979 100 D CA 1.512 55.526 54.000 0.024 0.000 0.874 100 D CB 1.094 41.915 40.800 0.035 0.000 0.968 100 D HN 0.960 nan 8.370 nan 0.000 0.510 101 A N 0.216 123.033 122.820 -0.004 0.000 2.606 101 A HA 0.682 5.002 4.320 -0.000 0.000 0.293 101 A C -1.580 175.983 177.584 -0.035 0.000 1.082 101 A CA -0.587 51.438 52.037 -0.020 0.000 0.685 101 A CB 1.435 20.418 19.000 -0.027 0.000 1.284 101 A HN 0.012 nan 8.150 nan 0.000 0.408 102 I N 1.276 121.816 120.570 -0.050 0.000 2.468 102 I HA 0.395 4.565 4.170 -0.000 0.000 0.285 102 I C -0.947 175.085 176.117 -0.142 0.000 1.039 102 I CA -0.808 60.446 61.300 -0.077 0.000 1.074 102 I CB 2.091 40.068 38.000 -0.039 0.000 1.228 102 I HN 0.335 nan 8.210 nan 0.000 0.436 103 V N 7.131 126.909 119.914 -0.228 0.000 2.394 103 V HA 0.504 4.624 4.120 -0.000 0.000 0.282 103 V C -0.023 175.862 176.094 -0.349 0.000 1.031 103 V CA -0.307 61.775 62.300 -0.365 0.000 0.881 103 V CB 1.569 33.036 31.823 -0.593 0.000 0.982 103 V HN 0.679 nan 8.190 nan 0.000 0.451 104 M N 5.523 124.926 119.600 -0.328 0.000 2.446 104 M HA 0.598 5.078 4.480 -0.000 0.000 0.294 104 M C -1.044 175.027 176.300 -0.382 0.000 1.158 104 M CA -0.740 54.363 55.300 -0.329 0.000 0.899 104 M CB 2.527 35.075 32.600 -0.087 0.000 1.687 104 M HN 0.709 nan 8.290 nan 0.000 0.455 105 R N 3.290 123.483 120.500 -0.512 0.000 2.513 105 R HA 0.508 4.847 4.340 -0.000 0.000 0.301 105 R C -1.893 174.438 176.300 0.052 0.000 0.968 105 R CA -0.420 55.495 56.100 -0.308 0.000 0.872 105 R CB 1.381 31.413 30.300 -0.447 0.000 1.177 105 R HN 0.851 nan 8.270 nan 0.000 0.444 106 H N 4.320 123.378 119.070 -0.020 0.000 2.895 106 H HA 0.319 4.875 4.556 -0.000 0.000 0.373 106 H C -2.225 173.102 175.328 -0.001 0.000 1.174 106 H CA -2.154 53.898 56.048 0.006 0.000 1.144 106 H CB 2.970 32.642 29.762 -0.149 0.000 1.793 106 H HN 0.426 nan 8.280 nan 0.000 0.551 107 P HA 0.028 nan 4.420 nan 0.000 0.231 107 P C -0.355 177.003 177.300 0.096 0.000 1.168 107 P CA 0.758 63.828 63.100 -0.049 0.000 0.779 107 P CB 0.773 32.394 31.700 -0.132 0.000 0.844 108 Q N 0.154 120.161 119.800 0.346 0.000 2.282 108 Q HA 0.278 4.618 4.340 -0.000 0.000 0.260 108 Q C -0.467 175.590 176.000 0.094 0.000 0.964 108 Q CA -0.723 55.191 55.803 0.185 0.000 0.880 108 Q CB 1.119 29.949 28.738 0.154 0.000 1.286 108 Q HN -0.030 nan 8.270 nan 0.000 0.445 109 E N 0.574 120.806 120.200 0.054 0.000 2.465 109 E HA 0.211 4.561 4.350 -0.000 0.000 0.260 109 E C 0.832 177.418 176.600 -0.023 0.000 0.980 109 E CA 1.372 57.788 56.400 0.026 0.000 0.927 109 E CB 0.290 30.008 29.700 0.030 0.000 0.934 109 E HN 0.836 nan 8.360 nan 0.000 0.459 110 G N 2.112 110.890 108.800 -0.038 0.000 2.176 110 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.253 110 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.253 110 G C 1.128 175.955 174.900 -0.122 0.000 0.979 110 G CA 0.580 45.638 45.100 -0.070 0.000 0.641 110 G HN 0.688 nan 8.290 nan 0.000 0.530 111 A N 0.252 122.968 122.820 -0.172 0.000 1.940 111 A HA 0.309 4.629 4.320 -0.000 0.000 0.219 111 A C 2.806 180.236 177.584 -0.257 0.000 1.176 111 A CA 2.826 54.650 52.037 -0.355 0.000 0.631 111 A CB -0.789 17.828 19.000 -0.638 0.000 0.814 111 A HN 1.815 nan 8.150 nan 0.000 0.446 112 A N -0.567 122.157 122.820 -0.159 0.000 1.929 112 A HA -0.032 4.288 4.320 -0.000 0.000 0.216 112 A C 2.151 179.659 177.584 -0.127 0.000 1.176 112 A CA 1.798 53.762 52.037 -0.122 0.000 0.628 112 A CB -0.370 18.585 19.000 -0.075 0.000 0.816 112 A HN 0.484 nan 8.150 nan 0.000 0.444 113 R N -0.092 120.342 120.500 -0.110 0.000 2.075 113 R HA -0.056 4.284 4.340 -0.000 0.000 0.232 113 R C 2.009 178.240 176.300 -0.115 0.000 1.126 113 R CA 1.470 57.503 56.100 -0.111 0.000 0.963 113 R CB -0.620 29.631 30.300 -0.081 0.000 0.858 113 R HN 0.407 nan 8.270 nan 0.000 0.435 114 L N 0.350 121.522 121.223 -0.085 0.000 2.042 114 L HA -0.087 4.253 4.340 -0.000 0.000 0.210 114 L C 1.967 178.871 176.870 0.057 0.000 1.076 114 L CA 2.484 57.321 54.840 -0.005 0.000 0.749 114 L CB -1.450 40.592 42.059 -0.028 0.000 0.893 114 L HN 0.370 nan 8.230 nan 0.000 0.432 115 A N -0.261 122.536 122.820 -0.038 0.000 1.940 115 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 115 A C 2.310 179.844 177.584 -0.083 0.000 1.176 115 A CA 2.471 54.498 52.037 -0.016 0.000 0.631 115 A CB -1.152 17.802 19.000 -0.077 0.000 0.814 115 A HN 0.685 nan 8.150 nan 0.000 0.446 116 T N -1.683 112.722 114.554 -0.248 0.000 2.881 116 T HA -0.148 4.202 4.350 -0.000 0.000 0.270 116 T C 1.355 175.893 174.700 -0.271 0.000 1.068 116 T CA 1.646 63.454 62.100 -0.485 0.000 1.131 116 T CB -0.463 67.913 68.868 -0.820 0.000 0.871 116 T HN 0.660 nan 8.240 nan 0.000 0.479 117 E N -0.360 119.696 120.200 -0.241 0.000 2.481 117 E HA 0.146 4.495 4.350 -0.000 0.000 0.195 117 E C 0.698 176.867 176.600 -0.718 0.000 1.047 117 E CA 0.453 56.589 56.400 -0.441 0.000 0.867 117 E CB -0.042 29.343 29.700 -0.526 0.000 0.858 117 E HN 0.656 nan 8.360 nan 0.000 0.513 118 F N -0.828 119.072 119.950 -0.084 0.000 2.728 118 F HA 0.066 4.593 4.527 -0.000 0.000 0.314 118 F C 2.161 177.929 175.800 -0.054 0.000 1.094 118 F CA 0.004 57.965 58.000 -0.064 0.000 1.217 118 F CB 0.706 39.664 39.000 -0.070 0.000 1.056 118 F HN -0.049 nan 8.300 nan 0.000 0.577 119 S N -0.777 114.954 115.700 0.052 0.000 2.528 119 S HA 0.402 4.871 4.470 -0.000 0.000 0.219 119 S C 1.630 176.251 174.600 0.035 0.000 0.985 119 S CA 0.503 58.729 58.200 0.044 0.000 0.914 119 S CB -0.412 62.813 63.200 0.041 0.000 0.776 119 S HN 0.524 nan 8.310 nan 0.000 0.526 120 G N 3.658 112.469 108.800 0.017 0.000 2.561 120 G HA2 -0.430 3.530 3.960 -0.000 0.000 0.289 120 G HA3 -0.430 3.530 3.960 -0.000 0.000 0.289 120 G C 0.550 175.469 174.900 0.032 0.000 1.169 120 G CA 0.258 45.364 45.100 0.010 0.000 0.980 120 G HN 0.656 nan 8.290 nan 0.000 0.550 121 N N 0.684 119.388 118.700 0.006 0.000 2.512 121 N HA 0.034 4.774 4.740 -0.000 0.000 0.183 121 N C 0.956 176.446 175.510 -0.033 0.000 1.073 121 N CA 1.318 54.354 53.050 -0.023 0.000 0.911 121 N CB -0.014 38.459 38.487 -0.023 0.000 0.964 121 N HN 0.624 nan 8.380 nan 0.000 0.447 122 V N 2.990 122.915 119.914 0.019 0.000 2.408 122 V HA 0.218 4.338 4.120 -0.000 0.000 0.267 122 V C -2.131 174.020 176.094 0.094 0.000 1.047 122 V CA -1.535 60.780 62.300 0.024 0.000 0.937 122 V CB 0.859 32.695 31.823 0.022 0.000 0.999 122 V HN 0.022 nan 8.190 nan 0.000 0.472 123 P HA 0.120 nan 4.420 nan 0.000 0.267 123 P C -0.541 176.860 177.300 0.168 0.000 1.205 123 P CA 0.146 63.277 63.100 0.051 0.000 0.765 123 P CB 0.586 32.243 31.700 -0.072 0.000 0.828 124 V N 5.337 125.454 119.914 0.339 0.000 2.435 124 V HA 0.307 4.427 4.120 -0.000 0.000 0.290 124 V C 0.108 176.240 176.094 0.064 0.000 1.030 124 V CA -0.483 61.867 62.300 0.083 0.000 0.881 124 V CB 1.362 33.150 31.823 -0.059 0.000 0.983 124 V HN 0.306 nan 8.190 nan 0.000 0.445 125 L N 4.299 125.515 121.223 -0.012 0.000 2.313 125 L HA 0.488 4.828 4.340 -0.000 0.000 0.283 125 L C 0.124 176.984 176.870 -0.016 0.000 1.013 125 L CA -0.212 54.632 54.840 0.008 0.000 0.816 125 L CB 1.471 43.518 42.059 -0.020 0.000 1.236 125 L HN 0.568 nan 8.230 nan 0.000 0.419 126 N N 2.297 121.026 118.700 0.049 0.000 2.415 126 N HA 0.295 5.035 4.740 -0.000 0.000 0.246 126 N C 0.417 175.992 175.510 0.108 0.000 1.078 126 N CA -0.046 53.026 53.050 0.037 0.000 0.942 126 N CB 1.538 40.056 38.487 0.052 0.000 1.140 126 N HN 0.696 nan 8.380 nan 0.000 0.501 127 A N 2.490 125.328 122.820 0.030 0.000 2.302 127 A HA 0.497 4.817 4.320 -0.000 0.000 0.219 127 A C 0.780 178.330 177.584 -0.057 0.000 1.243 127 A CA 0.314 52.432 52.037 0.135 0.000 0.856 127 A CB -0.880 18.157 19.000 0.062 0.000 0.893 127 A HN 0.939 nan 8.150 nan 0.000 0.491 128 G N 0.489 109.236 108.800 -0.088 0.000 2.931 128 G HA2 0.313 4.273 3.960 -0.000 0.000 0.675 128 G HA3 0.313 4.273 3.960 -0.000 0.000 0.675 128 G C -1.438 173.433 174.900 -0.048 0.000 1.339 128 G CA -0.275 44.728 45.100 -0.162 0.000 0.866 128 G HN 0.653 nan 8.290 nan 0.000 0.616 129 D N 1.531 121.933 120.400 0.003 0.000 2.389 129 D HA 0.603 5.243 4.640 -0.000 0.000 0.256 129 D C 1.141 177.480 176.300 0.065 0.000 1.239 129 D CA 0.676 54.700 54.000 0.042 0.000 0.925 129 D CB 0.696 41.506 40.800 0.017 0.000 1.145 129 D HN 1.994 nan 8.370 nan 0.000 0.542 130 G N 2.990 111.835 108.800 0.075 0.000 2.596 130 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.295 130 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.295 130 G C 0.654 175.619 174.900 0.108 0.000 1.240 130 G CA 0.786 45.937 45.100 0.085 0.000 0.985 130 G HN 1.241 nan 8.290 nan 0.000 0.555 131 S N 0.406 116.205 115.700 0.164 0.000 2.574 131 S HA 0.258 4.728 4.470 -0.000 0.000 0.242 131 S C 1.103 175.892 174.600 0.315 0.000 0.982 131 S CA 0.851 59.191 58.200 0.233 0.000 0.977 131 S CB 0.174 63.592 63.200 0.363 0.000 0.814 131 S HN 0.848 nan 8.310 nan 0.000 0.464 132 N N 1.167 120.006 118.700 0.232 0.000 2.187 132 N HA 0.012 4.751 4.740 -0.000 0.000 0.191 132 N C -0.075 175.598 175.510 0.272 0.000 1.057 132 N CA 0.529 53.720 53.050 0.235 0.000 0.913 132 N CB 0.263 38.816 38.487 0.111 0.000 1.089 132 N HN 0.281 nan 8.380 nan 0.000 0.472 133 Q N -0.501 119.407 119.800 0.180 0.000 2.399 133 Q HA 0.223 4.563 4.340 -0.000 0.000 0.276 133 Q C -1.291 174.833 176.000 0.207 0.000 1.098 133 Q CA -0.388 55.526 55.803 0.185 0.000 0.827 133 Q CB 1.886 30.708 28.738 0.141 0.000 1.386 133 Q HN 0.510 nan 8.270 nan 0.000 0.443 134 H N 2.043 121.180 119.070 0.112 0.000 2.562 134 H HA 0.200 4.756 4.556 -0.000 0.000 0.230 134 H C -2.089 173.312 175.328 0.122 0.000 1.415 134 H CA -1.875 54.246 56.048 0.121 0.000 1.454 134 H CB 0.750 30.585 29.762 0.121 0.000 1.716 134 H HN 0.311 nan 8.280 nan 0.000 0.538 135 P HA -0.156 nan 4.420 nan 0.000 0.216 135 P C 1.481 178.869 177.300 0.148 0.000 1.153 135 P CA 1.647 64.849 63.100 0.170 0.000 0.848 135 P CB 0.223 32.016 31.700 0.155 0.000 0.787 136 T N -2.868 111.807 114.554 0.201 0.000 2.962 136 T HA -0.156 4.194 4.350 -0.000 0.000 0.270 136 T C 2.118 176.811 174.700 -0.011 0.000 1.088 136 T CA 1.211 63.386 62.100 0.125 0.000 1.127 136 T CB -0.648 68.337 68.868 0.195 0.000 0.883 136 T HN -0.023 nan 8.240 nan 0.000 0.493 137 Q N 1.235 120.936 119.800 -0.166 0.000 2.049 137 Q HA 0.006 4.346 4.340 -0.000 0.000 0.198 137 Q C 2.401 178.369 176.000 -0.053 0.000 0.971 137 Q CA 2.165 57.797 55.803 -0.285 0.000 0.833 137 Q CB -1.017 27.283 28.738 -0.729 0.000 0.896 137 Q HN 0.548 nan 8.270 nan 0.000 0.434 138 T N 1.271 115.818 114.554 -0.011 0.000 2.684 138 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 138 T C 1.720 176.473 174.700 0.088 0.000 1.036 138 T CA 1.531 63.664 62.100 0.056 0.000 1.148 138 T CB -0.352 68.559 68.868 0.071 0.000 0.863 138 T HN 0.224 nan 8.240 nan 0.000 0.436 139 L N 0.775 122.048 121.223 0.084 0.000 2.012 139 L HA -0.120 4.219 4.340 -0.000 0.000 0.210 139 L C 2.486 179.433 176.870 0.128 0.000 1.073 139 L CA 1.285 56.185 54.840 0.101 0.000 0.748 139 L CB -0.780 41.320 42.059 0.069 0.000 0.891 139 L HN 0.340 nan 8.230 nan 0.000 0.431 140 L N -2.861 118.422 121.223 0.100 0.000 2.275 140 L HA -0.056 4.284 4.340 -0.000 0.000 0.215 140 L C 1.748 178.758 176.870 0.233 0.000 1.119 140 L CA 1.537 56.479 54.840 0.170 0.000 0.790 140 L CB -0.798 41.316 42.059 0.092 0.000 0.919 140 L HN 0.049 nan 8.230 nan 0.000 0.443 141 D N 0.707 121.218 120.400 0.184 0.000 2.103 141 D HA -0.082 4.558 4.640 -0.000 0.000 0.199 141 D C 2.361 178.767 176.300 0.176 0.000 0.978 141 D CA 1.636 55.762 54.000 0.210 0.000 0.829 141 D CB -0.269 40.671 40.800 0.234 0.000 0.981 141 D HN 0.390 nan 8.370 nan 0.000 0.464 142 L N -0.120 121.190 121.223 0.147 0.000 2.042 142 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 142 L C 2.429 179.370 176.870 0.118 0.000 1.076 142 L CA 0.921 55.815 54.840 0.089 0.000 0.749 142 L CB -0.476 41.637 42.059 0.090 0.000 0.893 142 L HN -0.005 nan 8.230 nan 0.000 0.432 143 F N 0.767 120.749 119.950 0.054 0.000 2.126 143 F HA -0.270 4.257 4.527 -0.000 0.000 0.299 143 F C 2.463 178.316 175.800 0.088 0.000 1.096 143 F CA 2.054 60.096 58.000 0.070 0.000 1.255 143 F CB -0.130 38.929 39.000 0.099 0.000 0.997 143 F HN -0.040 nan 8.300 nan 0.000 0.479 144 T N 1.067 115.661 114.554 0.066 0.000 2.812 144 T HA -0.113 4.237 4.350 -0.000 0.000 0.264 144 T C 1.954 176.640 174.700 -0.023 0.000 1.042 144 T CA 1.634 63.769 62.100 0.057 0.000 1.140 144 T CB -0.332 68.689 68.868 0.254 0.000 0.870 144 T HN 0.214 nan 8.240 nan 0.000 0.445 145 I N 1.075 121.635 120.570 -0.017 0.000 2.090 145 I HA -0.241 3.929 4.170 -0.000 0.000 0.236 145 I C 2.860 178.896 176.117 -0.136 0.000 1.064 145 I CA 1.544 62.804 61.300 -0.067 0.000 1.324 145 I CB -0.450 37.524 38.000 -0.043 0.000 1.044 145 I HN 0.257 nan 8.210 nan 0.000 0.399 146 Q N 0.886 120.601 119.800 -0.142 0.000 2.062 146 Q HA -0.361 3.979 4.340 -0.000 0.000 0.209 146 Q C 2.260 178.145 176.000 -0.192 0.000 0.996 146 Q CA 2.609 58.314 55.803 -0.162 0.000 0.859 146 Q CB -0.345 28.310 28.738 -0.138 0.000 0.920 146 Q HN 0.584 nan 8.270 nan 0.000 0.415 147 Q N -0.332 119.307 119.800 -0.268 0.000 2.124 147 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 147 Q C 1.728 177.597 176.000 -0.219 0.000 0.977 147 Q CA 2.129 57.768 55.803 -0.273 0.000 0.850 147 Q CB -0.171 28.310 28.738 -0.427 0.000 0.901 147 Q HN 0.585 nan 8.270 nan 0.000 0.429 148 T N -2.688 111.711 114.554 -0.258 0.000 3.067 148 T HA 0.088 4.438 4.350 -0.000 0.000 0.257 148 T C 1.213 175.752 174.700 -0.267 0.000 1.105 148 T CA 0.503 62.387 62.100 -0.360 0.000 1.104 148 T CB 0.272 68.764 68.868 -0.626 0.000 0.925 148 T HN 0.208 nan 8.240 nan 0.000 0.498 149 E N 0.705 120.786 120.200 -0.198 0.000 2.434 149 E HA 0.295 4.645 4.350 -0.000 0.000 0.207 149 E C 1.758 178.286 176.600 -0.119 0.000 0.929 149 E CA 0.700 57.011 56.400 -0.148 0.000 1.001 149 E CB 0.147 29.772 29.700 -0.126 0.000 1.016 149 E HN 0.591 nan 8.360 nan 0.000 0.502 150 G N 2.492 111.219 108.800 -0.123 0.000 2.179 150 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.260 150 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.260 150 G C 0.408 175.258 174.900 -0.084 0.000 0.977 150 G CA 0.753 45.795 45.100 -0.096 0.000 0.641 150 G HN 0.348 nan 8.290 nan 0.000 0.533 151 R N -1.442 118.997 120.500 -0.101 0.000 2.733 151 R HA 0.706 5.046 4.340 -0.000 0.000 0.272 151 R C -0.545 175.655 176.300 -0.166 0.000 1.029 151 R CA -0.907 55.131 56.100 -0.103 0.000 0.888 151 R CB 0.144 30.402 30.300 -0.070 0.000 1.251 151 R HN 0.279 nan 8.270 nan 0.000 0.464 152 L N 0.131 121.214 121.223 -0.233 0.000 3.016 152 L HA 0.365 4.705 4.340 -0.000 0.000 0.267 152 L C -0.684 176.025 176.870 -0.268 0.000 1.182 152 L CA -0.143 54.444 54.840 -0.421 0.000 0.997 152 L CB 0.551 42.037 42.059 -0.955 0.000 1.354 152 L HN 0.555 nan 8.230 nan 0.000 0.569 153 D N -0.080 120.256 120.400 -0.107 0.000 2.340 153 D HA 0.258 4.898 4.640 -0.000 0.000 0.240 153 D C -0.187 176.080 176.300 -0.056 0.000 1.001 153 D CA -0.586 53.403 54.000 -0.017 0.000 0.888 153 D CB 1.466 42.295 40.800 0.048 0.000 1.310 153 D HN -0.037 nan 8.370 nan 0.000 0.474 154 N N -0.301 118.358 118.700 -0.068 0.000 2.708 154 N HA -0.193 4.546 4.740 -0.000 0.000 0.249 154 N C -0.534 174.908 175.510 -0.112 0.000 1.097 154 N CA 0.262 53.255 53.050 -0.095 0.000 0.710 154 N CB -1.125 37.338 38.487 -0.040 0.000 1.032 154 N HN 0.359 nan 8.380 nan 0.000 0.551 155 L N 0.137 121.263 121.223 -0.162 0.000 2.416 155 L HA 0.345 4.685 4.340 -0.000 0.000 0.262 155 L C 0.779 177.503 176.870 -0.242 0.000 1.093 155 L CA -0.616 54.153 54.840 -0.118 0.000 0.801 155 L CB 0.679 42.656 42.059 -0.137 0.000 1.191 155 L HN 0.278 nan 8.230 nan 0.000 0.459 156 H N 1.244 120.241 119.070 -0.122 0.000 2.718 156 H HA 0.330 4.886 4.556 -0.000 0.000 0.295 156 H C -1.095 174.218 175.328 -0.025 0.000 1.051 156 H CA -0.470 55.539 56.048 -0.064 0.000 1.260 156 H CB 1.520 31.349 29.762 0.112 0.000 1.403 156 H HN 0.169 nan 8.280 nan 0.000 0.488 157 V N 2.456 122.326 119.914 -0.073 0.000 2.435 157 V HA 0.519 4.639 4.120 -0.000 0.000 0.290 157 V C 0.355 176.543 176.094 0.156 0.000 1.030 157 V CA -0.807 61.494 62.300 0.002 0.000 0.881 157 V CB 1.388 33.130 31.823 -0.134 0.000 0.983 157 V HN 0.801 nan 8.190 nan 0.000 0.445 158 A N 6.368 129.318 122.820 0.217 0.000 2.318 158 A HA 0.902 5.221 4.320 -0.000 0.000 0.324 158 A C -0.503 177.233 177.584 0.254 0.000 1.170 158 A CA -0.622 51.553 52.037 0.230 0.000 0.810 158 A CB 0.987 20.057 19.000 0.116 0.000 1.198 158 A HN 0.826 nan 8.150 nan 0.000 0.484 159 M N 3.156 122.946 119.600 0.317 0.000 2.181 159 M HA 0.449 4.929 4.480 -0.000 0.000 0.323 159 M C -1.164 175.287 176.300 0.252 0.000 1.004 159 M CA -0.540 54.965 55.300 0.341 0.000 0.941 159 M CB 1.822 34.661 32.600 0.400 0.000 1.579 159 M HN 0.372 nan 8.290 nan 0.000 0.427 160 V N 2.132 122.148 119.914 0.170 0.000 2.680 160 V HA 0.979 5.099 4.120 -0.000 0.000 0.309 160 V C 0.482 176.648 176.094 0.120 0.000 1.052 160 V CA 0.001 62.345 62.300 0.073 0.000 0.908 160 V CB 1.467 33.293 31.823 0.006 0.000 1.001 160 V HN 1.136 nan 8.190 nan 0.000 0.431 161 G N 3.505 112.419 108.800 0.189 0.000 2.456 161 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.204 161 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.204 161 G C -0.758 174.256 174.900 0.189 0.000 1.193 161 G CA 0.056 45.294 45.100 0.230 0.000 1.220 161 G HN 0.768 nan 8.290 nan 0.000 0.565 162 D N 1.862 122.344 120.400 0.138 0.000 2.441 162 D HA 0.497 5.136 4.640 -0.000 0.000 0.221 162 D C 1.711 178.041 176.300 0.050 0.000 1.156 162 D CA -0.325 53.747 54.000 0.120 0.000 0.896 162 D CB 0.296 41.197 40.800 0.168 0.000 1.028 162 D HN 0.359 nan 8.370 nan 0.000 0.509 163 L N 3.108 124.331 121.223 0.000 0.000 2.341 163 L HA 0.035 4.375 4.340 -0.000 0.000 0.214 163 L C 2.306 179.141 176.870 -0.058 0.000 1.115 163 L CA 0.268 55.060 54.840 -0.080 0.000 0.820 163 L CB -0.028 41.945 42.059 -0.143 0.000 0.944 163 L HN 0.336 nan 8.230 nan 0.000 0.452 164 K N 0.412 120.754 120.400 -0.097 0.000 2.007 164 K HA -0.163 4.157 4.320 -0.000 0.000 0.206 164 K C 1.782 178.289 176.600 -0.154 0.000 1.047 164 K CA 1.583 57.749 56.287 -0.201 0.000 0.937 164 K CB -0.040 32.167 32.500 -0.487 0.000 0.718 164 K HN 0.127 nan 8.250 nan 0.000 0.438 165 Y N 0.120 120.470 120.300 0.083 0.000 2.482 165 Y HA 0.243 4.793 4.550 -0.000 0.000 0.270 165 Y C 1.010 176.874 175.900 -0.060 0.000 1.152 165 Y CA 0.030 58.168 58.100 0.064 0.000 1.292 165 Y CB 0.163 38.649 38.460 0.044 0.000 1.070 165 Y HN 0.051 nan 8.280 nan 0.000 0.528 166 G N 1.742 110.474 108.800 -0.113 0.000 2.588 166 G HA2 0.089 4.049 3.960 -0.000 0.000 0.297 166 G HA3 0.089 4.049 3.960 -0.000 0.000 0.297 166 G C 0.987 175.529 174.900 -0.596 0.000 0.874 166 G CA -0.518 44.441 45.100 -0.234 0.000 1.607 166 G HN 0.532 nan 8.290 nan 0.000 0.486 167 R N 1.282 121.658 120.500 -0.207 0.000 2.152 167 R HA -0.130 4.210 4.340 -0.000 0.000 0.232 167 R C 2.263 178.559 176.300 -0.006 0.000 1.117 167 R CA 1.672 57.729 56.100 -0.072 0.000 0.981 167 R CB -0.899 29.469 30.300 0.114 0.000 0.870 167 R HN 0.497 nan 8.270 nan 0.000 0.451 168 T N 0.094 114.677 114.554 0.049 0.000 2.746 168 T HA -0.111 4.239 4.350 -0.000 0.000 0.267 168 T C 2.110 176.800 174.700 -0.017 0.000 1.039 168 T CA 1.380 63.542 62.100 0.104 0.000 1.142 168 T CB -0.516 68.479 68.868 0.212 0.000 0.866 168 T HN 0.264 nan 8.240 nan 0.000 0.444 169 V N -0.924 118.922 119.914 -0.113 0.000 3.129 169 V HA 0.140 4.260 4.120 -0.000 0.000 0.259 169 V C 2.143 178.167 176.094 -0.117 0.000 1.116 169 V CA 0.942 63.136 62.300 -0.176 0.000 1.127 169 V CB -1.303 30.433 31.823 -0.145 0.000 0.742 169 V HN 0.630 nan 8.190 nan 0.000 0.474 170 H N 0.636 119.648 119.070 -0.097 0.000 2.333 170 H HA -0.011 4.545 4.556 -0.000 0.000 0.302 170 H C 2.610 177.898 175.328 -0.067 0.000 1.075 170 H CA 1.382 57.361 56.048 -0.115 0.000 1.348 170 H CB 0.090 29.834 29.762 -0.031 0.000 1.393 170 H HN 0.457 nan 8.280 nan 0.000 0.509 171 S N 0.703 116.467 115.700 0.107 0.000 2.371 171 S HA -0.105 4.365 4.470 -0.000 0.000 0.224 171 S C 2.063 176.683 174.600 0.034 0.000 1.029 171 S CA 0.658 58.907 58.200 0.081 0.000 0.978 171 S CB -0.174 63.090 63.200 0.108 0.000 0.833 171 S HN 0.146 nan 8.310 nan 0.000 0.466 172 L N 1.796 123.006 121.223 -0.022 0.000 2.093 172 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 172 L C 2.253 179.117 176.870 -0.009 0.000 1.085 172 L CA 1.798 56.612 54.840 -0.043 0.000 0.755 172 L CB -1.290 40.644 42.059 -0.209 0.000 0.904 172 L HN 0.215 nan 8.230 nan 0.000 0.435 173 T N -0.775 113.729 114.554 -0.084 0.000 2.746 173 T HA -0.216 4.133 4.350 -0.000 0.000 0.267 173 T C 1.783 176.414 174.700 -0.116 0.000 1.039 173 T CA 1.767 63.751 62.100 -0.193 0.000 1.142 173 T CB -0.166 68.473 68.868 -0.380 0.000 0.866 173 T HN 0.485 nan 8.240 nan 0.000 0.444 174 Q N 0.498 120.263 119.800 -0.057 0.000 2.167 174 Q HA 0.104 4.443 4.340 -0.000 0.000 0.202 174 Q C 2.658 178.698 176.000 0.066 0.000 0.970 174 Q CA 1.135 56.933 55.803 -0.008 0.000 0.855 174 Q CB -0.240 28.504 28.738 0.009 0.000 0.911 174 Q HN 0.538 nan 8.270 nan 0.000 0.438 175 A N 0.916 123.798 122.820 0.103 0.000 1.872 175 A HA -0.102 4.218 4.320 -0.000 0.000 0.214 175 A C 1.988 179.761 177.584 0.314 0.000 1.187 175 A CA 0.943 53.092 52.037 0.187 0.000 0.614 175 A CB -0.522 18.585 19.000 0.179 0.000 0.826 175 A HN 0.281 nan 8.150 nan 0.000 0.442 176 L N -0.718 120.693 121.223 0.313 0.000 2.376 176 L HA -0.048 4.292 4.340 -0.000 0.000 0.219 176 L C 2.560 179.683 176.870 0.423 0.000 1.133 176 L CA 0.627 55.710 54.840 0.405 0.000 0.816 176 L CB -0.204 42.089 42.059 0.391 0.000 0.933 176 L HN 0.416 nan 8.230 nan 0.000 0.449 177 A N -0.688 122.322 122.820 0.317 0.000 2.238 177 A HA -0.024 4.296 4.320 -0.000 0.000 0.208 177 A C 2.033 179.699 177.584 0.136 0.000 1.177 177 A CA 0.479 52.659 52.037 0.238 0.000 0.804 177 A CB -0.170 18.908 19.000 0.129 0.000 0.823 177 A HN 0.268 nan 8.150 nan 0.000 0.482 178 K N -1.299 119.175 120.400 0.122 0.000 2.379 178 K HA 0.209 4.528 4.320 -0.000 0.000 0.194 178 K C -0.681 175.785 176.600 -0.224 0.000 1.031 178 K CA 0.153 56.391 56.287 -0.082 0.000 1.037 178 K CB 0.175 32.566 32.500 -0.181 0.000 0.824 178 K HN 0.481 nan 8.250 nan 0.000 0.516 179 F N 1.108 121.089 119.950 0.053 0.000 2.457 179 F HA 0.205 4.732 4.527 -0.000 0.000 0.330 179 F C 0.552 176.365 175.800 0.021 0.000 1.069 179 F CA -1.108 56.910 58.000 0.031 0.000 1.009 179 F CB 0.837 39.853 39.000 0.027 0.000 1.276 179 F HN -0.169 nan 8.300 nan 0.000 0.492 180 D N -0.068 120.442 120.400 0.184 0.000 2.193 180 D HA 0.350 4.990 4.640 -0.000 0.000 0.249 180 D C 0.898 177.224 176.300 0.044 0.000 1.034 180 D CA 0.371 54.422 54.000 0.085 0.000 0.902 180 D CB 1.471 42.304 40.800 0.056 0.000 1.182 180 D HN 0.790 nan 8.370 nan 0.000 0.436 181 G N 1.720 110.523 108.800 0.004 0.000 2.187 181 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.261 181 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.261 181 G C 0.224 175.036 174.900 -0.146 0.000 1.000 181 G CA -0.135 44.931 45.100 -0.056 0.000 0.718 181 G HN 0.486 nan 8.290 nan 0.000 0.519 182 N N 0.034 118.642 118.700 -0.153 0.000 2.513 182 N HA 0.435 5.175 4.740 -0.000 0.000 0.268 182 N C 0.396 175.598 175.510 -0.513 0.000 1.180 182 N CA 0.047 52.877 53.050 -0.368 0.000 0.948 182 N CB 1.147 39.425 38.487 -0.349 0.000 1.083 182 N HN 0.616 nan 8.380 nan 0.000 0.455 183 R N 2.120 122.175 120.500 -0.741 0.000 2.439 183 R HA 0.402 4.742 4.340 -0.000 0.000 0.310 183 R C -1.442 174.264 176.300 -0.991 0.000 0.955 183 R CA -0.406 55.258 56.100 -0.726 0.000 0.853 183 R CB 0.278 30.143 30.300 -0.725 0.000 1.171 183 R HN 0.301 nan 8.270 nan 0.000 0.449 184 F N 4.140 123.766 119.950 -0.539 0.000 2.399 184 F HA 0.440 4.967 4.527 -0.000 0.000 0.334 184 F C -0.556 174.703 175.800 -0.902 0.000 1.097 184 F CA -0.402 57.198 58.000 -0.667 0.000 1.076 184 F CB 1.322 39.943 39.000 -0.632 0.000 1.162 184 F HN 0.418 nan 8.300 nan 0.000 0.495 185 Y N 2.423 122.522 120.300 -0.334 0.000 2.327 185 Y HA 0.423 4.973 4.550 -0.000 0.000 0.325 185 Y C -1.037 174.752 175.900 -0.185 0.000 0.999 185 Y CA -1.171 56.830 58.100 -0.165 0.000 1.195 185 Y CB 0.951 39.344 38.460 -0.113 0.000 1.132 185 Y HN 0.395 nan 8.280 nan 0.000 0.455 186 F N 4.585 124.762 119.950 0.378 0.000 2.385 186 F HA 0.570 5.097 4.527 -0.000 0.000 0.360 186 F C -0.050 175.831 175.800 0.136 0.000 1.122 186 F CA -0.805 57.315 58.000 0.200 0.000 1.090 186 F CB 0.915 39.992 39.000 0.128 0.000 1.150 186 F HN 0.260 nan 8.300 nan 0.000 0.472 187 I N 3.973 124.663 120.570 0.199 0.000 2.382 187 I HA 0.714 4.884 4.170 -0.000 0.000 0.285 187 I C -0.383 175.658 176.117 -0.125 0.000 1.007 187 I CA -0.415 60.819 61.300 -0.110 0.000 1.142 187 I CB 1.392 39.153 38.000 -0.398 0.000 1.289 187 I HN 0.669 nan 8.210 nan 0.000 0.453 188 A N 6.906 129.793 122.820 0.112 0.000 2.604 188 A HA 0.813 5.133 4.320 -0.000 0.000 0.295 188 A C -2.961 174.874 177.584 0.419 0.000 1.067 188 A CA -1.369 50.876 52.037 0.347 0.000 0.683 188 A CB 1.353 20.451 19.000 0.164 0.000 1.281 188 A HN 0.379 nan 8.150 nan 0.000 0.407 189 P HA 0.201 nan 4.420 nan 0.000 0.267 189 P C -0.134 177.250 177.300 0.140 0.000 1.200 189 P CA 0.256 63.471 63.100 0.192 0.000 0.772 189 P CB 0.516 32.276 31.700 0.101 0.000 0.855 190 D N 2.006 122.471 120.400 0.108 0.000 2.133 190 D HA -0.224 4.416 4.640 -0.000 0.000 0.195 190 D C 1.943 178.268 176.300 0.041 0.000 0.997 190 D CA 2.067 56.111 54.000 0.073 0.000 0.840 190 D CB -0.414 40.423 40.800 0.061 0.000 0.947 190 D HN 0.399 nan 8.370 nan 0.000 0.452 191 A N -0.031 122.815 122.820 0.042 0.000 2.019 191 A HA -0.068 4.252 4.320 -0.000 0.000 0.219 191 A C 1.662 179.248 177.584 0.003 0.000 1.164 191 A CA 0.922 52.975 52.037 0.027 0.000 0.644 191 A CB -0.321 18.707 19.000 0.046 0.000 0.805 191 A HN 0.270 nan 8.150 nan 0.000 0.449 192 L N -0.443 120.793 121.223 0.021 0.000 3.017 192 L HA 0.350 4.690 4.340 -0.000 0.000 0.255 192 L C 0.905 177.752 176.870 -0.038 0.000 1.247 192 L CA -0.439 54.394 54.840 -0.011 0.000 1.038 192 L CB -0.186 41.919 42.059 0.077 0.000 1.380 192 L HN 0.343 nan 8.230 nan 0.000 0.548 193 A N 0.500 123.290 122.820 -0.050 0.000 2.386 193 A HA 0.259 4.579 4.320 -0.000 0.000 0.246 193 A C 0.179 177.653 177.584 -0.184 0.000 1.089 193 A CA -0.320 51.668 52.037 -0.081 0.000 0.790 193 A CB 0.223 19.189 19.000 -0.058 0.000 1.042 193 A HN 0.285 nan 8.150 nan 0.000 0.497 194 M N 1.350 120.777 119.600 -0.289 0.000 2.238 194 M HA 0.302 4.782 4.480 -0.000 0.000 0.350 194 M C -2.224 173.814 176.300 -0.436 0.000 1.321 194 M CA -1.573 53.458 55.300 -0.449 0.000 1.097 194 M CB -0.138 31.985 32.600 -0.795 0.000 1.713 194 M HN 0.316 nan 8.290 nan 0.000 0.455 195 P HA -0.008 nan 4.420 nan 0.000 0.266 195 P C -0.168 176.814 177.300 -0.530 0.000 1.193 195 P CA 0.125 62.919 63.100 -0.510 0.000 0.770 195 P CB 0.524 31.713 31.700 -0.852 0.000 0.836 196 E N 1.806 121.823 120.200 -0.305 0.000 2.150 196 E HA -0.203 4.146 4.350 -0.000 0.000 0.193 196 E C 1.626 178.099 176.600 -0.212 0.000 0.985 196 E CA 1.438 57.708 56.400 -0.216 0.000 0.814 196 E CB -0.879 28.776 29.700 -0.076 0.000 0.752 196 E HN 0.605 nan 8.360 nan 0.000 0.466 197 Y N -0.667 119.523 120.300 -0.185 0.000 2.241 197 Y HA -0.163 4.387 4.550 -0.000 0.000 0.286 197 Y C 1.841 177.625 175.900 -0.193 0.000 1.166 197 Y CA 1.122 59.123 58.100 -0.166 0.000 1.203 197 Y CB -0.546 37.821 38.460 -0.155 0.000 0.977 197 Y HN 0.003 nan 8.280 nan 0.000 0.529 198 I N 0.463 120.665 120.570 -0.614 0.000 2.277 198 I HA -0.194 3.976 4.170 -0.000 0.000 0.243 198 I C 2.480 178.330 176.117 -0.444 0.000 1.094 198 I CA 1.036 62.025 61.300 -0.518 0.000 1.393 198 I CB -0.767 36.822 38.000 -0.686 0.000 1.078 198 I HN 0.344 nan 8.210 nan 0.000 0.417 199 L N 0.696 121.597 121.223 -0.536 0.000 1.989 199 L HA -0.267 4.073 4.340 -0.000 0.000 0.211 199 L C 2.293 179.033 176.870 -0.217 0.000 1.071 199 L CA 1.548 56.040 54.840 -0.580 0.000 0.749 199 L CB -0.974 40.703 42.059 -0.637 0.000 0.890 199 L HN 0.224 nan 8.230 nan 0.000 0.431 200 D N -0.320 120.010 120.400 -0.117 0.000 2.172 200 D HA -0.261 4.379 4.640 -0.000 0.000 0.196 200 D C 2.096 178.394 176.300 -0.003 0.000 0.999 200 D CA 1.419 55.413 54.000 -0.010 0.000 0.856 200 D CB -0.157 40.645 40.800 0.003 0.000 0.934 200 D HN 0.311 nan 8.370 nan 0.000 0.453 201 M N 0.035 119.601 119.600 -0.058 0.000 2.098 201 M HA -0.117 4.363 4.480 -0.000 0.000 0.262 201 M C 2.066 178.362 176.300 -0.006 0.000 1.072 201 M CA 1.087 56.367 55.300 -0.034 0.000 1.133 201 M CB -0.179 32.388 32.600 -0.055 0.000 1.344 201 M HN -0.015 nan 8.290 nan 0.000 0.414 202 L N 0.387 121.584 121.223 -0.043 0.000 2.043 202 L HA -0.287 4.053 4.340 -0.000 0.000 0.212 202 L C 2.099 179.092 176.870 0.205 0.000 1.075 202 L CA 1.404 56.291 54.840 0.078 0.000 0.752 202 L CB -1.194 40.866 42.059 0.002 0.000 0.891 202 L HN 0.304 nan 8.230 nan 0.000 0.432 203 D N 0.008 120.553 120.400 0.241 0.000 2.078 203 D HA -0.178 4.462 4.640 -0.000 0.000 0.193 203 D C 2.168 178.542 176.300 0.122 0.000 0.990 203 D CA 1.151 55.290 54.000 0.232 0.000 0.827 203 D CB -0.140 40.805 40.800 0.241 0.000 0.975 203 D HN 0.328 nan 8.370 nan 0.000 0.451 204 E N 0.514 120.764 120.200 0.085 0.000 2.049 204 E HA -0.173 4.177 4.350 -0.000 0.000 0.198 204 E C 1.682 178.313 176.600 0.052 0.000 1.007 204 E CA 0.957 57.389 56.400 0.054 0.000 0.809 204 E CB -0.036 29.686 29.700 0.037 0.000 0.749 204 E HN 0.285 nan 8.360 nan 0.000 0.450 205 K N -0.044 120.391 120.400 0.058 0.000 2.589 205 K HA 0.009 4.329 4.320 -0.000 0.000 0.192 205 K C 0.754 177.395 176.600 0.068 0.000 1.029 205 K CA 0.544 56.864 56.287 0.055 0.000 1.031 205 K CB 0.045 32.578 32.500 0.055 0.000 0.821 205 K HN 0.241 nan 8.250 nan 0.000 0.502 206 G N 2.728 111.576 108.800 0.080 0.000 2.386 206 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.295 206 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.295 206 G C 0.002 174.956 174.900 0.089 0.000 0.979 206 G CA 0.095 45.240 45.100 0.075 0.000 1.193 206 G HN 0.301 nan 8.290 nan 0.000 0.508 207 I N 0.267 120.929 120.570 0.155 0.000 2.428 207 I HA 0.540 4.710 4.170 -0.000 0.000 0.296 207 I C 0.903 177.153 176.117 0.220 0.000 0.985 207 I CA -0.773 60.641 61.300 0.190 0.000 1.260 207 I CB 1.837 39.991 38.000 0.257 0.000 1.389 207 I HN 0.346 nan 8.210 nan 0.000 0.484 208 A N 8.155 131.041 122.820 0.110 0.000 2.354 208 A HA 0.481 4.801 4.320 -0.000 0.000 0.281 208 A C -0.697 176.938 177.584 0.086 0.000 1.174 208 A CA -0.362 51.677 52.037 0.003 0.000 0.828 208 A CB 0.165 19.113 19.000 -0.088 0.000 1.099 208 A HN 0.812 nan 8.150 nan 0.000 0.516 209 W N 1.357 122.624 121.300 -0.054 0.000 3.083 209 W HA 0.743 5.403 4.660 -0.000 0.000 0.333 209 W C -0.880 175.602 176.519 -0.062 0.000 1.217 209 W CA -0.565 56.716 57.345 -0.107 0.000 1.170 209 W CB 0.993 30.456 29.460 0.005 0.000 1.437 209 W HN 0.981 nan 8.180 nan 0.000 0.557 210 S N 1.038 116.838 115.700 0.168 0.000 2.550 210 S HA 0.757 5.227 4.470 -0.000 0.000 0.270 210 S C -1.255 173.503 174.600 0.264 0.000 1.145 210 S CA -1.058 57.208 58.200 0.110 0.000 0.852 210 S CB 1.968 65.265 63.200 0.163 0.000 1.119 210 S HN 0.518 nan 8.310 nan 0.000 0.465 211 L N 2.493 123.762 121.223 0.076 0.000 2.317 211 L HA 0.661 5.001 4.340 -0.000 0.000 0.281 211 L C -0.236 176.417 176.870 -0.361 0.000 1.024 211 L CA -0.718 54.183 54.840 0.103 0.000 0.810 211 L CB 0.955 43.133 42.059 0.199 0.000 1.240 211 L HN 0.681 nan 8.230 nan 0.000 0.427 212 H N 0.914 120.059 119.070 0.126 0.000 2.768 212 H HA 0.277 4.833 4.556 -0.000 0.000 0.371 212 H C -0.228 175.127 175.328 0.045 0.000 1.151 212 H CA -0.653 55.432 56.048 0.062 0.000 1.165 212 H CB 2.405 32.174 29.762 0.012 0.000 1.722 212 H HN 0.559 nan 8.280 nan 0.000 0.543 213 S N 0.943 116.742 115.700 0.165 0.000 2.524 213 S HA 0.028 4.498 4.470 -0.000 0.000 0.216 213 S C 0.692 175.442 174.600 0.250 0.000 0.987 213 S CA 0.151 58.474 58.200 0.205 0.000 0.909 213 S CB 0.222 63.522 63.200 0.167 0.000 0.781 213 S HN 0.692 nan 8.310 nan 0.000 0.521 214 S N -0.665 115.114 115.700 0.132 0.000 2.570 214 S HA 0.569 5.039 4.470 -0.000 0.000 0.270 214 S C 0.483 175.060 174.600 -0.039 0.000 1.149 214 S CA -0.822 57.434 58.200 0.093 0.000 0.837 214 S CB 0.541 63.816 63.200 0.126 0.000 1.124 214 S HN 0.039 nan 8.310 nan 0.000 0.465 215 I N 1.261 121.801 120.570 -0.050 0.000 2.163 215 I HA -0.104 4.065 4.170 -0.000 0.000 0.240 215 I C 2.819 178.872 176.117 -0.107 0.000 1.081 215 I CA 1.591 62.835 61.300 -0.095 0.000 1.353 215 I CB -0.313 37.672 38.000 -0.025 0.000 1.054 215 I HN 0.978 nan 8.210 nan 0.000 0.407 216 E N 1.280 121.450 120.200 -0.050 0.000 2.187 216 E HA -0.305 4.045 4.350 -0.000 0.000 0.199 216 E C 1.836 178.377 176.600 -0.097 0.000 1.004 216 E CA 1.874 58.240 56.400 -0.057 0.000 0.813 216 E CB -0.017 29.686 29.700 0.005 0.000 0.736 216 E HN 0.656 nan 8.360 nan 0.000 0.468 217 E N -0.216 119.927 120.200 -0.094 0.000 2.347 217 E HA -0.112 4.238 4.350 -0.000 0.000 0.196 217 E C 1.834 178.277 176.600 -0.262 0.000 1.008 217 E CA 1.183 57.516 56.400 -0.113 0.000 0.852 217 E CB 0.269 29.962 29.700 -0.011 0.000 0.783 217 E HN 0.319 nan 8.360 nan 0.000 0.505 218 V N -2.777 116.916 119.914 -0.369 0.000 3.556 218 V HA 0.192 4.312 4.120 -0.000 0.000 0.287 218 V C 1.880 177.724 176.094 -0.416 0.000 1.422 218 V CA 0.218 62.177 62.300 -0.568 0.000 1.038 218 V CB 0.525 31.799 31.823 -0.916 0.000 0.850 218 V HN 0.083 nan 8.190 nan 0.000 0.437 219 M N 3.229 122.657 119.600 -0.287 0.000 2.103 219 M HA -0.094 4.386 4.480 -0.000 0.000 0.255 219 M C 1.944 178.095 176.300 -0.248 0.000 1.074 219 M CA 2.818 57.974 55.300 -0.239 0.000 1.090 219 M CB -0.841 31.640 32.600 -0.199 0.000 1.325 219 M HN 0.499 nan 8.290 nan 0.000 0.403 220 A N -0.577 122.094 122.820 -0.247 0.000 2.239 220 A HA -0.050 4.270 4.320 -0.000 0.000 0.209 220 A C 1.560 179.008 177.584 -0.227 0.000 1.171 220 A CA 1.351 53.254 52.037 -0.223 0.000 0.768 220 A CB -0.943 17.939 19.000 -0.196 0.000 0.790 220 A HN 0.793 nan 8.150 nan 0.000 0.478 221 E N -0.385 119.650 120.200 -0.275 0.000 2.715 221 E HA 0.232 4.582 4.350 -0.000 0.000 0.224 221 E C -0.046 176.395 176.600 -0.264 0.000 0.962 221 E CA 0.068 56.286 56.400 -0.303 0.000 1.145 221 E CB -0.286 29.213 29.700 -0.335 0.000 1.083 221 E HN 0.332 nan 8.360 nan 0.000 0.506 222 V N -1.189 118.609 119.914 -0.195 0.000 2.743 222 V HA 0.331 4.451 4.120 -0.000 0.000 0.301 222 V C 0.313 176.377 176.094 -0.050 0.000 1.057 222 V CA -0.465 61.805 62.300 -0.051 0.000 1.006 222 V CB 1.898 33.688 31.823 -0.054 0.000 1.024 222 V HN -0.068 nan 8.190 nan 0.000 0.473 223 D N 1.483 121.892 120.400 0.014 0.000 2.323 223 D HA 0.267 4.907 4.640 -0.000 0.000 0.218 223 D C 0.312 176.608 176.300 -0.007 0.000 0.973 223 D CA 1.137 55.131 54.000 -0.010 0.000 0.890 223 D CB 0.663 41.468 40.800 0.009 0.000 1.011 223 D HN 0.431 nan 8.370 nan 0.000 0.499 224 I N 1.625 122.214 120.570 0.031 0.000 2.533 224 I HA 0.225 4.394 4.170 -0.000 0.000 0.290 224 I C -0.797 175.380 176.117 0.100 0.000 1.056 224 I CA -0.849 60.492 61.300 0.068 0.000 1.057 224 I CB 2.442 40.495 38.000 0.088 0.000 1.240 224 I HN -0.184 nan 8.210 nan 0.000 0.423 225 L N 8.012 129.297 121.223 0.104 0.000 2.337 225 L HA 0.408 4.748 4.340 -0.000 0.000 0.269 225 L C -1.390 175.577 176.870 0.162 0.000 1.018 225 L CA -0.346 54.556 54.840 0.104 0.000 0.876 225 L CB 0.764 42.846 42.059 0.039 0.000 1.236 225 L HN 0.428 nan 8.230 nan 0.000 0.436 226 Y N 6.155 126.496 120.300 0.068 0.000 2.535 226 Y HA 0.498 5.048 4.550 -0.000 0.000 0.349 226 Y C -0.223 175.681 175.900 0.006 0.000 0.992 226 Y CA -0.669 57.465 58.100 0.057 0.000 1.248 226 Y CB 0.483 38.993 38.460 0.083 0.000 1.124 226 Y HN 0.501 nan 8.280 nan 0.000 0.520 227 M N 4.798 124.299 119.600 -0.165 0.000 2.274 227 M HA 0.333 4.813 4.480 -0.000 0.000 0.344 227 M C 0.164 176.120 176.300 -0.574 0.000 1.161 227 M CA -0.203 54.968 55.300 -0.216 0.000 1.126 227 M CB 1.145 33.668 32.600 -0.127 0.000 1.522 227 M HN 0.652 nan 8.290 nan 0.000 0.461 228 T N -0.313 114.043 114.554 -0.330 0.000 2.906 228 T HA 0.640 4.990 4.350 -0.000 0.000 0.295 228 T C -0.494 174.153 174.700 -0.089 0.000 1.075 228 T CA -1.152 60.764 62.100 -0.307 0.000 1.005 228 T CB 2.715 71.573 68.868 -0.016 0.000 1.136 228 T HN 0.784 nan 8.240 nan 0.000 0.498 229 R N 1.297 121.823 120.500 0.044 0.000 2.457 229 R HA 0.564 4.903 4.340 -0.000 0.000 0.284 229 R C -0.830 175.543 176.300 0.122 0.000 1.024 229 R CA -0.655 55.538 56.100 0.154 0.000 1.025 229 R CB 1.009 31.434 30.300 0.208 0.000 1.063 229 R HN 0.576 nan 8.270 nan 0.000 0.493 230 V N 5.032 125.017 119.914 0.119 0.000 2.450 230 V HA -0.028 4.092 4.120 -0.000 0.000 0.281 230 V C 0.528 176.684 176.094 0.105 0.000 1.019 230 V CA 0.130 62.503 62.300 0.121 0.000 1.062 230 V CB 1.118 33.007 31.823 0.110 0.000 0.979 230 V HN 0.737 nan 8.190 nan 0.000 0.477 231 Q N 4.594 124.462 119.800 0.114 0.000 3.034 231 Q HA -0.014 4.326 4.340 -0.000 0.000 0.249 231 Q C 1.432 177.415 176.000 -0.027 0.000 1.282 231 Q CA 0.146 55.979 55.803 0.051 0.000 0.918 231 Q CB -0.476 28.293 28.738 0.051 0.000 1.772 231 Q HN 0.656 nan 8.270 nan 0.000 0.498 232 K N 1.638 122.051 120.400 0.023 0.000 2.097 232 K HA -0.249 4.071 4.320 -0.000 0.000 0.214 232 K C 1.675 178.279 176.600 0.006 0.000 1.052 232 K CA 1.967 58.278 56.287 0.039 0.000 0.932 232 K CB 0.240 32.776 32.500 0.061 0.000 0.716 232 K HN 0.454 nan 8.250 nan 0.000 0.455 233 E N 0.355 120.546 120.200 -0.015 0.000 2.409 233 E HA -0.200 4.150 4.350 -0.000 0.000 0.198 233 E C 1.314 177.850 176.600 -0.107 0.000 1.024 233 E CA 1.019 57.403 56.400 -0.028 0.000 0.861 233 E CB 0.049 29.746 29.700 -0.006 0.000 0.788 233 E HN 0.345 nan 8.360 nan 0.000 0.521 234 R N 0.388 120.745 120.500 -0.239 0.000 2.225 234 R HA 0.299 4.639 4.340 -0.000 0.000 0.194 234 R C 1.236 177.136 176.300 -0.666 0.000 0.957 234 R CA -0.185 55.648 56.100 -0.444 0.000 1.042 234 R CB 0.040 30.020 30.300 -0.533 0.000 1.004 234 R HN 0.149 nan 8.270 nan 0.000 0.509 235 L N 2.433 123.280 121.223 -0.625 0.000 2.536 235 L HA -0.123 4.217 4.340 -0.000 0.000 0.294 235 L C 0.391 177.041 176.870 -0.367 0.000 1.257 235 L CA 0.454 55.013 54.840 -0.468 0.000 0.850 235 L CB -0.101 41.786 42.059 -0.286 0.000 1.105 235 L HN 0.083 nan 8.230 nan 0.000 0.517 236 D N 1.902 122.131 120.400 -0.285 0.000 2.193 236 D HA 0.256 4.896 4.640 -0.000 0.000 0.249 236 D C -1.832 174.161 176.300 -0.511 0.000 1.034 236 D CA -1.833 52.013 54.000 -0.257 0.000 0.902 236 D CB 1.739 42.487 40.800 -0.086 0.000 1.182 236 D HN 0.112 nan 8.370 nan 0.000 0.436 237 P HA -0.155 nan 4.420 nan 0.000 0.218 237 P C 0.988 178.146 177.300 -0.236 0.000 1.146 237 P CA 1.223 63.996 63.100 -0.544 0.000 0.813 237 P CB -0.027 31.666 31.700 -0.013 0.000 0.778 238 S N -0.549 115.068 115.700 -0.139 0.000 2.447 238 S HA -0.129 4.341 4.470 -0.000 0.000 0.233 238 S C 1.519 176.097 174.600 -0.037 0.000 1.006 238 S CA 0.945 59.121 58.200 -0.040 0.000 0.957 238 S CB -0.980 62.210 63.200 -0.017 0.000 0.773 238 S HN 0.295 nan 8.310 nan 0.000 0.507 239 E N -0.131 119.998 120.200 -0.118 0.000 2.465 239 E HA 0.162 4.512 4.350 -0.000 0.000 0.191 239 E C 0.477 177.062 176.600 -0.025 0.000 1.053 239 E CA -0.147 56.220 56.400 -0.054 0.000 0.869 239 E CB -0.259 29.434 29.700 -0.012 0.000 0.977 239 E HN 0.688 nan 8.360 nan 0.000 0.483 240 Y N 0.454 120.773 120.300 0.031 0.000 2.569 240 Y HA -0.204 4.346 4.550 -0.000 0.000 0.293 240 Y C 2.369 178.280 175.900 0.018 0.000 1.144 240 Y CA 0.108 58.219 58.100 0.019 0.000 1.321 240 Y CB 0.037 38.504 38.460 0.011 0.000 0.982 240 Y HN 0.189 nan 8.280 nan 0.000 0.558 241 A N 0.540 123.453 122.820 0.155 0.000 1.933 241 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 241 A C 1.844 179.471 177.584 0.073 0.000 1.175 241 A CA 1.667 53.760 52.037 0.093 0.000 0.628 241 A CB -0.385 18.654 19.000 0.064 0.000 0.814 241 A HN 0.426 nan 8.150 nan 0.000 0.444 242 N N -0.054 118.695 118.700 0.082 0.000 2.398 242 N HA 0.016 4.756 4.740 -0.000 0.000 0.188 242 N C 1.467 177.029 175.510 0.086 0.000 1.122 242 N CA 0.691 53.784 53.050 0.071 0.000 0.866 242 N CB 0.116 38.652 38.487 0.081 0.000 0.970 242 N HN 0.253 nan 8.380 nan 0.000 0.462 243 V N 1.303 121.288 119.914 0.118 0.000 2.278 243 V HA -0.227 3.893 4.120 -0.000 0.000 0.251 243 V C 1.182 177.317 176.094 0.068 0.000 1.062 243 V CA 1.604 63.973 62.300 0.116 0.000 1.038 243 V CB -0.258 31.648 31.823 0.139 0.000 0.646 243 V HN 0.284 nan 8.190 nan 0.000 0.447 244 K N -0.003 120.423 120.400 0.043 0.000 2.202 244 K HA 0.508 4.828 4.320 -0.000 0.000 0.264 244 K C 0.068 176.673 176.600 0.007 0.000 1.010 244 K CA 0.013 56.313 56.287 0.021 0.000 0.940 244 K CB 0.982 33.487 32.500 0.008 0.000 0.983 244 K HN 0.365 nan 8.250 nan 0.000 0.475 245 A N 2.050 124.876 122.820 0.010 0.000 2.492 245 A HA -0.025 4.295 4.320 -0.000 0.000 0.254 245 A C 1.017 178.552 177.584 -0.083 0.000 1.091 245 A CA 0.006 52.045 52.037 0.003 0.000 0.768 245 A CB 0.512 19.542 19.000 0.049 0.000 1.028 245 A HN 0.944 nan 8.150 nan 0.000 0.498 246 Q N 1.831 121.500 119.800 -0.218 0.000 2.163 246 Q HA 0.076 4.416 4.340 -0.000 0.000 0.198 246 Q C -0.810 174.814 176.000 -0.627 0.000 0.954 246 Q CA 0.895 56.379 55.803 -0.533 0.000 0.851 246 Q CB 0.084 28.331 28.738 -0.818 0.000 0.928 246 Q HN 0.755 nan 8.270 nan 0.000 0.459 247 F N 0.859 120.842 119.950 0.055 0.000 2.402 247 F HA 0.463 4.990 4.527 -0.000 0.000 0.355 247 F C -0.801 175.027 175.800 0.047 0.000 1.123 247 F CA -1.147 56.885 58.000 0.053 0.000 1.021 247 F CB 1.625 40.662 39.000 0.062 0.000 1.160 247 F HN -0.293 nan 8.300 nan 0.000 0.451 248 V N 4.820 124.840 119.914 0.177 0.000 2.495 248 V HA 0.406 4.526 4.120 -0.000 0.000 0.298 248 V C -0.622 175.539 176.094 0.111 0.000 1.031 248 V CA -0.783 61.586 62.300 0.114 0.000 0.871 248 V CB 1.993 33.857 31.823 0.068 0.000 0.988 248 V HN 0.570 nan 8.190 nan 0.000 0.432 249 L N 6.396 127.675 121.223 0.094 0.000 2.307 249 L HA 0.695 5.035 4.340 -0.000 0.000 0.282 249 L C -0.037 176.878 176.870 0.074 0.000 1.051 249 L CA 0.257 55.147 54.840 0.083 0.000 0.804 249 L CB 0.982 43.089 42.059 0.080 0.000 1.197 249 L HN 0.646 nan 8.230 nan 0.000 0.431 250 R N 3.499 124.044 120.500 0.074 0.000 2.795 250 R HA 0.608 4.948 4.340 -0.000 0.000 0.275 250 R C 0.679 177.027 176.300 0.080 0.000 0.981 250 R CA -0.329 55.814 56.100 0.072 0.000 0.917 250 R CB 1.465 31.802 30.300 0.061 0.000 1.202 250 R HN 0.762 nan 8.270 nan 0.000 0.469 251 A N 1.295 124.166 122.820 0.085 0.000 1.915 251 A HA -0.290 4.029 4.320 -0.000 0.000 0.220 251 A C 2.107 179.745 177.584 0.090 0.000 1.198 251 A CA 2.703 54.797 52.037 0.095 0.000 0.647 251 A CB -0.889 18.164 19.000 0.087 0.000 0.825 251 A HN 0.866 nan 8.150 nan 0.000 0.456 252 S N 0.069 115.814 115.700 0.075 0.000 2.400 252 S HA -0.197 4.273 4.470 -0.000 0.000 0.232 252 S C 1.144 175.814 174.600 0.116 0.000 1.025 252 S CA 1.540 59.783 58.200 0.072 0.000 0.993 252 S CB -0.604 62.619 63.200 0.037 0.000 0.808 252 S HN 0.596 nan 8.310 nan 0.000 0.478 253 D N 1.235 121.697 120.400 0.102 0.000 2.363 253 D HA 0.124 4.764 4.640 -0.000 0.000 0.226 253 D C 1.227 177.556 176.300 0.048 0.000 1.020 253 D CA 0.390 54.453 54.000 0.105 0.000 0.892 253 D CB -0.082 40.757 40.800 0.065 0.000 0.900 253 D HN 0.466 nan 8.370 nan 0.000 0.531 254 L N 0.562 121.811 121.223 0.044 0.000 2.611 254 L HA 0.047 4.387 4.340 -0.000 0.000 0.229 254 L C 2.031 178.885 176.870 -0.026 0.000 1.137 254 L CA -0.042 54.761 54.840 -0.062 0.000 0.901 254 L CB -0.355 41.682 42.059 -0.037 0.000 1.098 254 L HN 0.100 nan 8.230 nan 0.000 0.456 255 H N -0.911 118.142 119.070 -0.029 0.000 2.319 255 H HA -0.180 4.376 4.556 -0.000 0.000 0.299 255 H C 1.699 177.011 175.328 -0.027 0.000 1.092 255 H CA 2.120 58.161 56.048 -0.011 0.000 1.302 255 H CB -0.245 29.515 29.762 -0.004 0.000 1.373 255 H HN 0.296 nan 8.280 nan 0.000 0.497 256 N N 0.613 118.986 118.700 -0.545 0.000 2.354 256 N HA 0.066 4.806 4.740 -0.000 0.000 0.179 256 N C 0.455 175.816 175.510 -0.248 0.000 1.021 256 N CA 0.134 52.915 53.050 -0.449 0.000 0.887 256 N CB -0.013 38.162 38.487 -0.519 0.000 0.974 256 N HN 0.499 nan 8.380 nan 0.000 0.437 257 A N 1.982 124.658 122.820 -0.240 0.000 2.609 257 A HA -0.074 4.246 4.320 -0.000 0.000 0.232 257 A C 0.310 177.809 177.584 -0.142 0.000 1.041 257 A CA 0.497 52.389 52.037 -0.242 0.000 0.753 257 A CB 0.206 18.943 19.000 -0.438 0.000 0.966 257 A HN 0.201 nan 8.150 nan 0.000 0.510 258 K N 1.061 121.387 120.400 -0.124 0.000 2.276 258 K HA 0.238 4.558 4.320 -0.000 0.000 0.259 258 K C 1.444 178.058 176.600 0.024 0.000 1.001 258 K CA 0.341 56.589 56.287 -0.065 0.000 0.927 258 K CB 0.499 32.951 32.500 -0.080 0.000 0.969 258 K HN 0.761 nan 8.250 nan 0.000 0.490 259 A N 2.224 125.061 122.820 0.028 0.000 1.969 259 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 259 A C 1.673 179.287 177.584 0.049 0.000 1.169 259 A CA 1.669 53.747 52.037 0.068 0.000 0.635 259 A CB -0.536 18.468 19.000 0.007 0.000 0.810 259 A HN 0.923 nan 8.150 nan 0.000 0.445 260 N N -0.910 117.786 118.700 -0.007 0.000 2.457 260 N HA -0.044 4.696 4.740 -0.000 0.000 0.180 260 N C 0.934 176.411 175.510 -0.055 0.000 1.050 260 N CA 0.249 53.261 53.050 -0.063 0.000 0.906 260 N CB -0.328 38.111 38.487 -0.081 0.000 0.968 260 N HN 0.397 nan 8.380 nan 0.000 0.445 261 M N 1.890 121.497 119.600 0.013 0.000 2.260 261 M HA 0.021 4.501 4.480 -0.000 0.000 0.348 261 M C -0.723 175.643 176.300 0.111 0.000 1.342 261 M CA 0.751 56.059 55.300 0.014 0.000 1.040 261 M CB 0.366 32.934 32.600 -0.054 0.000 1.810 261 M HN -0.028 nan 8.290 nan 0.000 0.453 262 K N 4.300 124.716 120.400 0.027 0.000 2.371 262 K HA 0.554 4.874 4.320 -0.000 0.000 0.251 262 K C -1.416 175.247 176.600 0.106 0.000 0.934 262 K CA -0.700 55.615 56.287 0.046 0.000 0.798 262 K CB 2.161 34.586 32.500 -0.126 0.000 1.204 262 K HN 0.538 nan 8.250 nan 0.000 0.427 263 V N 4.100 124.121 119.914 0.178 0.000 2.350 263 V HA 0.415 4.535 4.120 -0.000 0.000 0.276 263 V C 0.246 176.503 176.094 0.272 0.000 1.028 263 V CA -0.774 61.652 62.300 0.209 0.000 0.860 263 V CB 0.800 32.779 31.823 0.261 0.000 0.990 263 V HN 0.481 nan 8.190 nan 0.000 0.453 264 L N 4.320 125.653 121.223 0.183 0.000 2.322 264 L HA 0.741 5.081 4.340 -0.000 0.000 0.269 264 L C -0.583 176.218 176.870 -0.115 0.000 1.012 264 L CA -0.698 54.208 54.840 0.109 0.000 0.815 264 L CB 2.050 44.178 42.059 0.115 0.000 1.295 264 L HN 0.643 nan 8.230 nan 0.000 0.438 265 H N 2.714 121.618 119.070 -0.276 0.000 3.154 265 H HA 0.158 4.714 4.556 -0.000 0.000 0.330 265 H C -2.450 172.727 175.328 -0.251 0.000 1.033 265 H CA -1.092 54.720 56.048 -0.393 0.000 1.393 265 H CB 2.782 32.340 29.762 -0.341 0.000 1.951 265 H HN 0.237 nan 8.280 nan 0.000 0.466 266 P HA -0.085 nan 4.420 nan 0.000 0.221 266 P C 0.011 177.442 177.300 0.218 0.000 1.145 266 P CA 0.621 63.801 63.100 0.134 0.000 0.795 266 P CB 0.996 32.788 31.700 0.154 0.000 0.775 267 L N -2.796 118.647 121.223 0.366 0.000 0.585 267 L HA -0.088 4.252 4.340 -0.000 0.000 0.356 267 L C -2.339 174.601 176.870 0.117 0.000 1.004 267 L CA -0.831 54.029 54.840 0.033 0.000 1.223 267 L CB -1.696 40.356 42.059 -0.013 0.000 0.012 267 L HN 0.063 nan 8.230 nan 0.000 0.091 268 P HA 0.319 nan 4.420 nan 0.000 0.276 268 P C -1.394 175.804 177.300 -0.171 0.000 1.244 268 P CA -0.504 62.566 63.100 -0.049 0.000 0.801 268 P CB 0.934 32.641 31.700 0.012 0.000 1.006 269 R N 0.426 120.734 120.500 -0.320 0.000 2.589 269 R HA 0.588 4.927 4.340 -0.000 0.000 0.293 269 R C -0.222 176.008 176.300 -0.117 0.000 0.963 269 R CA -0.923 54.961 56.100 -0.360 0.000 0.905 269 R CB 1.002 30.944 30.300 -0.597 0.000 1.144 269 R HN 0.126 nan 8.270 nan 0.000 0.459 270 V N 0.759 120.652 119.914 -0.034 0.000 3.505 270 V HA -0.015 4.105 4.120 -0.000 0.000 0.200 270 V C 0.955 177.045 176.094 -0.007 0.000 1.192 270 V CA 0.942 63.240 62.300 -0.003 0.000 1.397 270 V CB 0.089 31.928 31.823 0.027 0.000 1.403 270 V HN 1.040 nan 8.190 nan 0.000 0.489 271 D N -0.156 120.253 120.400 0.014 0.000 2.469 271 D HA -0.048 4.592 4.640 -0.000 0.000 0.213 271 D C 1.422 177.739 176.300 0.027 0.000 1.135 271 D CA 0.314 54.323 54.000 0.015 0.000 0.834 271 D CB -0.087 40.724 40.800 0.019 0.000 1.009 271 D HN 0.583 nan 8.370 nan 0.000 0.507 272 E N 1.425 121.651 120.200 0.044 0.000 2.347 272 E HA -0.060 4.290 4.350 -0.000 0.000 0.196 272 E C 0.720 177.355 176.600 0.057 0.000 1.008 272 E CA 0.298 56.743 56.400 0.075 0.000 0.852 272 E CB 0.153 29.927 29.700 0.123 0.000 0.783 272 E HN 0.395 nan 8.360 nan 0.000 0.505 273 I N 1.759 122.329 120.570 0.000 0.000 2.448 273 I HA 0.357 4.527 4.170 -0.000 0.000 0.281 273 I C -0.136 175.970 176.117 -0.018 0.000 1.027 273 I CA -1.025 60.256 61.300 -0.031 0.000 1.111 273 I CB 1.627 39.523 38.000 -0.173 0.000 1.236 273 I HN -0.047 nan 8.210 nan 0.000 0.452 274 A N 3.620 126.457 122.820 0.028 0.000 2.483 274 A HA 0.188 4.508 4.320 -0.000 0.000 0.238 274 A C 1.520 179.137 177.584 0.055 0.000 1.070 274 A CA 0.346 52.406 52.037 0.038 0.000 0.770 274 A CB 0.201 19.230 19.000 0.049 0.000 1.008 274 A HN 0.864 nan 8.150 nan 0.000 0.497 275 T N -1.262 113.329 114.554 0.061 0.000 3.098 275 T HA -0.111 4.239 4.350 -0.000 0.000 0.266 275 T C 0.811 175.576 174.700 0.108 0.000 1.145 275 T CA 1.363 63.519 62.100 0.094 0.000 1.092 275 T CB -0.454 68.464 68.868 0.083 0.000 0.908 275 T HN 0.762 nan 8.240 nan 0.000 0.526 276 D N 1.147 121.601 120.400 0.090 0.000 2.317 276 D HA -0.027 4.613 4.640 -0.000 0.000 0.211 276 D C 1.844 178.211 176.300 0.112 0.000 0.966 276 D CA 0.196 54.249 54.000 0.088 0.000 0.876 276 D CB -0.742 40.099 40.800 0.069 0.000 0.927 276 D HN 0.418 nan 8.370 nan 0.000 0.519 277 V N 1.239 121.235 119.914 0.136 0.000 2.626 277 V HA -0.200 3.920 4.120 -0.000 0.000 0.252 277 V C 1.580 177.792 176.094 0.197 0.000 1.067 277 V CA 1.793 64.199 62.300 0.176 0.000 1.081 277 V CB -0.530 31.416 31.823 0.205 0.000 0.686 277 V HN 0.064 nan 8.190 nan 0.000 0.468 278 D N 0.397 120.926 120.400 0.215 0.000 2.182 278 D HA -0.171 4.469 4.640 -0.000 0.000 0.201 278 D C 2.104 178.468 176.300 0.107 0.000 0.986 278 D CA 1.227 55.347 54.000 0.200 0.000 0.847 278 D CB -0.192 40.767 40.800 0.265 0.000 0.942 278 D HN 0.404 nan 8.370 nan 0.000 0.467 279 K N 0.031 120.489 120.400 0.097 0.000 2.426 279 K HA 0.038 4.358 4.320 -0.000 0.000 0.193 279 K C 0.769 177.401 176.600 0.053 0.000 1.028 279 K CA 0.133 56.459 56.287 0.065 0.000 1.047 279 K CB 0.327 32.862 32.500 0.059 0.000 0.821 279 K HN 0.226 nan 8.250 nan 0.000 0.513 280 T N -1.076 113.520 114.554 0.070 0.000 2.882 280 T HA 0.198 4.548 4.350 -0.000 0.000 0.287 280 T C -2.116 172.585 174.700 0.003 0.000 1.014 280 T CA -1.802 60.334 62.100 0.060 0.000 1.049 280 T CB 1.234 70.197 68.868 0.158 0.000 1.001 280 T HN -0.193 nan 8.240 nan 0.000 0.525 281 P HA 0.126 nan 4.420 nan 0.000 0.245 281 P C 0.838 178.013 177.300 -0.209 0.000 1.212 281 P CA 0.368 63.384 63.100 -0.140 0.000 0.774 281 P CB -0.056 31.521 31.700 -0.204 0.000 0.999 282 H N -0.250 118.862 119.070 0.071 0.000 2.520 282 H HA 0.281 4.837 4.556 -0.000 0.000 0.279 282 H C 0.849 176.234 175.328 0.095 0.000 0.990 282 H CA 0.126 56.209 56.048 0.058 0.000 1.288 282 H CB -0.184 29.605 29.762 0.045 0.000 1.446 282 H HN 0.038 nan 8.280 nan 0.000 0.538 283 A N 1.102 124.004 122.820 0.136 0.000 2.515 283 A HA -0.047 4.273 4.320 -0.000 0.000 0.263 283 A C 0.266 177.769 177.584 -0.134 0.000 1.096 283 A CA 0.032 51.990 52.037 -0.132 0.000 0.769 283 A CB -0.554 18.291 19.000 -0.260 0.000 1.040 283 A HN 0.660 nan 8.150 nan 0.000 0.505 284 W N 4.001 125.028 121.300 -0.456 0.000 2.252 284 W HA 0.132 4.792 4.660 -0.000 0.000 0.338 284 W C -0.098 176.236 176.519 -0.309 0.000 0.914 284 W CA -0.113 57.056 57.345 -0.293 0.000 1.754 284 W CB 0.360 29.756 29.460 -0.105 0.000 1.135 284 W HN 1.068 nan 8.180 nan 0.000 0.531 285 Y N -2.219 117.993 120.300 -0.146 0.000 2.457 285 Y HA 0.009 4.559 4.550 -0.000 0.000 0.292 285 Y C 1.625 177.336 175.900 -0.316 0.000 1.125 285 Y CA 0.654 58.597 58.100 -0.262 0.000 1.254 285 Y CB -1.386 36.845 38.460 -0.381 0.000 1.012 285 Y HN -0.230 nan 8.280 nan 0.000 0.555 286 F N 0.726 120.576 119.950 -0.167 0.000 2.416 286 F HA -0.013 4.514 4.527 -0.000 0.000 0.296 286 F C 1.961 177.635 175.800 -0.210 0.000 1.099 286 F CA 0.474 58.399 58.000 -0.124 0.000 1.427 286 F CB -0.628 38.301 39.000 -0.117 0.000 1.079 286 F HN 0.039 nan 8.300 nan 0.000 0.536 287 Q N -0.040 119.590 119.800 -0.283 0.000 2.187 287 Q HA -0.145 4.195 4.340 -0.000 0.000 0.199 287 Q C 2.200 178.124 176.000 -0.126 0.000 0.957 287 Q CA 1.066 56.642 55.803 -0.378 0.000 0.857 287 Q CB -0.437 27.710 28.738 -0.986 0.000 0.929 287 Q HN 0.488 nan 8.270 nan 0.000 0.453 288 Q N 0.389 120.143 119.800 -0.077 0.000 2.020 288 Q HA -0.212 4.127 4.340 -0.000 0.000 0.202 288 Q C 1.953 178.021 176.000 0.112 0.000 0.982 288 Q CA 1.618 57.493 55.803 0.120 0.000 0.838 288 Q CB -0.254 28.583 28.738 0.165 0.000 0.899 288 Q HN 0.388 nan 8.270 nan 0.000 0.423 289 A N 0.793 123.669 122.820 0.093 0.000 1.873 289 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 289 A C 2.356 179.965 177.584 0.041 0.000 1.193 289 A CA 2.050 54.140 52.037 0.087 0.000 0.629 289 A CB -1.731 17.351 19.000 0.137 0.000 0.826 289 A HN 0.658 nan 8.150 nan 0.000 0.447 290 G N -0.445 108.377 108.800 0.037 0.000 2.469 290 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.220 290 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.220 290 G C 1.311 176.193 174.900 -0.031 0.000 1.136 290 G CA 1.158 46.255 45.100 -0.006 0.000 0.759 290 G HN 0.740 nan 8.290 nan 0.000 0.562 291 N N 0.493 119.273 118.700 0.132 0.000 2.609 291 N HA 0.027 4.767 4.740 -0.000 0.000 0.190 291 N C 2.156 177.709 175.510 0.072 0.000 1.157 291 N CA 0.241 53.469 53.050 0.296 0.000 0.918 291 N CB -0.002 38.804 38.487 0.532 0.000 0.978 291 N HN 0.346 nan 8.380 nan 0.000 0.448 292 G N 0.858 109.626 108.800 -0.053 0.000 2.448 292 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.218 292 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.218 292 G C 1.393 176.137 174.900 -0.260 0.000 1.135 292 G CA 0.143 45.165 45.100 -0.130 0.000 0.784 292 G HN 0.150 nan 8.290 nan 0.000 0.543 293 I N 0.704 121.046 120.570 -0.381 0.000 2.142 293 I HA -0.082 4.088 4.170 -0.000 0.000 0.240 293 I C 2.518 178.329 176.117 -0.509 0.000 1.078 293 I CA 1.171 62.155 61.300 -0.525 0.000 1.343 293 I CB -1.140 36.434 38.000 -0.710 0.000 1.046 293 I HN 0.121 nan 8.210 nan 0.000 0.405 294 F N 1.212 121.093 119.950 -0.115 0.000 2.146 294 F HA -0.049 4.478 4.527 -0.000 0.000 0.298 294 F C 2.649 178.269 175.800 -0.300 0.000 1.096 294 F CA 1.057 58.934 58.000 -0.205 0.000 1.275 294 F CB -1.445 37.404 39.000 -0.253 0.000 1.008 294 F HN 0.006 nan 8.300 nan 0.000 0.480 295 A N 0.423 123.126 122.820 -0.194 0.000 1.897 295 A HA -0.107 4.212 4.320 -0.000 0.000 0.215 295 A C 2.296 179.793 177.584 -0.145 0.000 1.181 295 A CA 1.199 53.117 52.037 -0.199 0.000 0.620 295 A CB -0.568 18.348 19.000 -0.140 0.000 0.821 295 A HN 0.313 nan 8.150 nan 0.000 0.443 296 R N -0.672 119.699 120.500 -0.215 0.000 2.119 296 R HA -0.038 4.302 4.340 -0.000 0.000 0.222 296 R C 2.391 178.642 176.300 -0.081 0.000 1.088 296 R CA 1.197 57.136 56.100 -0.269 0.000 0.984 296 R CB -0.261 29.613 30.300 -0.711 0.000 0.884 296 R HN 0.640 nan 8.270 nan 0.000 0.447 297 Q N 0.401 120.160 119.800 -0.069 0.000 2.050 297 Q HA -0.116 4.224 4.340 -0.000 0.000 0.202 297 Q C 2.253 178.268 176.000 0.025 0.000 0.980 297 Q CA 1.681 57.486 55.803 0.002 0.000 0.840 297 Q CB -0.147 28.604 28.738 0.021 0.000 0.898 297 Q HN 0.363 nan 8.270 nan 0.000 0.424 298 A N 0.581 123.402 122.820 0.002 0.000 1.972 298 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 298 A C 1.991 179.598 177.584 0.038 0.000 1.169 298 A CA 1.085 53.129 52.037 0.011 0.000 0.635 298 A CB -0.474 18.509 19.000 -0.028 0.000 0.810 298 A HN 0.342 nan 8.150 nan 0.000 0.446 299 L N -0.533 120.718 121.223 0.047 0.000 2.072 299 L HA 0.017 4.357 4.340 -0.000 0.000 0.205 299 L C 2.254 179.190 176.870 0.109 0.000 1.079 299 L CA 1.439 56.331 54.840 0.087 0.000 0.752 299 L CB -0.395 41.730 42.059 0.109 0.000 0.906 299 L HN 0.373 nan 8.230 nan 0.000 0.436 300 L N -0.554 120.747 121.223 0.129 0.000 2.083 300 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 300 L C 2.651 179.575 176.870 0.090 0.000 1.083 300 L CA 1.174 56.087 54.840 0.122 0.000 0.752 300 L CB -0.863 41.282 42.059 0.143 0.000 0.899 300 L HN 0.376 nan 8.230 nan 0.000 0.433 301 A N -0.080 122.789 122.820 0.082 0.000 1.933 301 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 301 A C 2.219 179.861 177.584 0.097 0.000 1.175 301 A CA 1.411 53.495 52.037 0.078 0.000 0.628 301 A CB -0.536 18.501 19.000 0.062 0.000 0.814 301 A HN 0.374 nan 8.150 nan 0.000 0.444 302 L N -0.999 120.282 121.223 0.096 0.000 2.095 302 L HA -0.075 4.265 4.340 -0.000 0.000 0.204 302 L C 2.449 179.409 176.870 0.149 0.000 1.080 302 L CA 0.626 55.537 54.840 0.117 0.000 0.759 302 L CB -0.444 41.670 42.059 0.091 0.000 0.914 302 L HN 0.203 nan 8.230 nan 0.000 0.439 303 V N 0.088 120.054 119.914 0.087 0.000 2.407 303 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 303 V C 2.090 178.155 176.094 -0.048 0.000 1.055 303 V CA 1.604 63.904 62.300 0.000 0.000 1.049 303 V CB -0.222 31.596 31.823 -0.008 0.000 0.662 303 V HN 0.360 nan 8.190 nan 0.000 0.455 304 L N -0.884 120.383 121.223 0.074 0.000 2.554 304 L HA 0.224 4.564 4.340 -0.000 0.000 0.225 304 L C 0.512 177.574 176.870 0.321 0.000 1.104 304 L CA 0.257 55.172 54.840 0.124 0.000 0.866 304 L CB 0.035 42.142 42.059 0.080 0.000 1.047 304 L HN 0.312 nan 8.230 nan 0.000 0.468 305 N N -0.087 118.817 118.700 0.340 0.000 2.314 305 N HA 0.192 4.931 4.740 -0.000 0.000 0.294 305 N C 0.386 175.941 175.510 0.074 0.000 1.029 305 N CA -0.279 52.891 53.050 0.199 0.000 0.845 305 N CB 2.347 40.888 38.487 0.089 0.000 1.321 305 N HN -0.010 nan 8.380 nan 0.000 0.481 306 R N 1.049 121.303 120.500 -0.409 0.000 2.075 306 R HA 0.002 4.342 4.340 -0.000 0.000 0.232 306 R C -0.612 175.503 176.300 -0.308 0.000 1.126 306 R CA 1.197 56.781 56.100 -0.860 0.000 0.963 306 R CB 0.318 30.070 30.300 -0.912 0.000 0.858 306 R HN 0.577 nan 8.270 nan 0.000 0.435 307 D N 0.406 120.706 120.400 -0.168 0.000 2.757 307 D HA 0.177 4.817 4.640 -0.000 0.000 0.249 307 D C -1.604 174.677 176.300 -0.032 0.000 1.168 307 D CA -0.524 53.429 54.000 -0.080 0.000 0.870 307 D CB 2.273 43.031 40.800 -0.071 0.000 1.411 307 D HN -0.033 nan 8.370 nan 0.000 0.525 308 L N 2.710 123.928 121.223 -0.007 0.000 2.294 308 L HA 0.303 4.643 4.340 -0.000 0.000 0.283 308 L C -0.900 175.975 176.870 0.008 0.000 1.015 308 L CA -0.661 54.185 54.840 0.010 0.000 0.831 308 L CB 1.600 43.675 42.059 0.027 0.000 1.217 308 L HN 0.151 nan 8.230 nan 0.000 0.420 309 V N 6.917 126.835 119.914 0.007 0.000 2.217 309 V HA 0.374 4.494 4.120 -0.000 0.000 0.264 309 V C -0.112 175.989 176.094 0.011 0.000 1.107 309 V CA -0.313 61.991 62.300 0.007 0.000 0.913 309 V CB 0.139 31.963 31.823 0.002 0.000 1.153 309 V HN 0.663 nan 8.190 nan 0.000 0.469 310 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 0.019 0.000 0.961 310 L HN 0.000 nan 8.230 nan 0.000 0.502