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 1i5o_1_C DATA FIRST_RESID 1 DATA SEQUENCE ANPLYQKHII SINDLSRDDL NLVLATAAKL KANPQPELLK HKVIASCFFE DATA SEQUENCE ASTRTRLSFE TSMHRLGASV VGFSDSANTS LGKKGETLAD TISVISTYVD DATA SEQUENCE AIVMAHPQEG AARLATEFSG NVPVLNAGDG SNQHPTQTLL DLFTIQETQG DATA SEQUENCE RLDNLHVAMV GDLKYGRTVH SLTQALAKFD GNRFYFIAPD ALAMPQYILD 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 0.000 177.557 177.584 -0.045 0.000 1.274 1 A CA 0.000 51.969 52.037 -0.114 0.000 0.836 1 A CB 0.000 18.969 19.000 -0.052 0.000 0.831 2 N N 3.063 121.743 118.700 -0.034 0.000 2.509 2 N HA 0.639 5.379 4.740 -0.000 0.000 0.287 2 N C -1.753 173.807 175.510 0.083 0.000 1.121 2 N CA -1.438 51.629 53.050 0.027 0.000 0.977 2 N CB 1.191 39.697 38.487 0.032 0.000 1.167 2 N HN 0.133 nan 8.380 nan 0.000 0.476 3 P HA -0.236 nan 4.420 nan 0.000 0.218 3 P C 0.669 178.017 177.300 0.081 0.000 1.165 3 P CA 1.587 64.726 63.100 0.065 0.000 0.922 3 P CB 0.085 31.814 31.700 0.049 0.000 0.794 4 L N -3.377 117.898 121.223 0.085 0.000 2.675 4 L HA 0.012 4.352 4.340 -0.000 0.000 0.239 4 L C 0.923 177.841 176.870 0.080 0.000 1.151 4 L CA -0.445 54.437 54.840 0.070 0.000 0.905 4 L CB -1.032 41.066 42.059 0.065 0.000 1.057 4 L HN 0.038 nan 8.230 nan 0.000 0.435 5 Y N 1.666 121.959 120.300 -0.012 0.000 2.442 5 Y HA -0.048 4.501 4.550 -0.000 0.000 0.330 5 Y C 1.032 176.904 175.900 -0.046 0.000 1.129 5 Y CA -0.240 57.848 58.100 -0.021 0.000 1.365 5 Y CB 0.440 38.891 38.460 -0.014 0.000 1.233 5 Y HN 0.169 nan 8.280 nan 0.000 0.529 6 Q N 1.987 121.280 119.800 -0.845 0.000 2.426 6 Q HA -0.267 4.073 4.340 -0.000 0.000 0.254 6 Q C -0.806 174.926 176.000 -0.446 0.000 1.017 6 Q CA 1.142 56.542 55.803 -0.672 0.000 1.083 6 Q CB -1.119 27.187 28.738 -0.721 0.000 1.552 6 Q HN 0.595 nan 8.270 nan 0.000 0.532 7 K N 0.900 121.111 120.400 -0.316 0.000 2.098 7 K HA 0.390 4.710 4.320 -0.000 0.000 0.258 7 K C 0.251 176.694 176.600 -0.262 0.000 0.973 7 K CA -0.517 55.606 56.287 -0.274 0.000 0.898 7 K CB 0.911 33.356 32.500 -0.092 0.000 1.057 7 K HN 0.163 nan 8.250 nan 0.000 0.447 8 H N 1.611 120.664 119.070 -0.029 0.000 2.517 8 H HA 0.272 4.827 4.556 -0.000 0.000 0.317 8 H C -0.127 175.204 175.328 0.006 0.000 1.080 8 H CA -0.767 55.270 56.048 -0.017 0.000 1.301 8 H CB 0.900 30.648 29.762 -0.024 0.000 1.425 8 H HN 0.230 nan 8.280 nan 0.000 0.471 9 I N 4.091 124.744 120.570 0.137 0.000 2.308 9 I HA -0.024 4.146 4.170 -0.000 0.000 0.293 9 I C 0.899 177.082 176.117 0.109 0.000 1.078 9 I CA 0.512 61.881 61.300 0.115 0.000 1.292 9 I CB 0.136 38.208 38.000 0.121 0.000 1.423 9 I HN 0.568 nan 8.210 nan 0.000 0.493 10 I N 2.738 123.362 120.570 0.091 0.000 3.673 10 I HA 0.161 4.331 4.170 -0.000 0.000 0.281 10 I C 0.844 177.004 176.117 0.071 0.000 1.182 10 I CA 0.467 61.805 61.300 0.063 0.000 1.391 10 I CB 0.309 38.325 38.000 0.026 0.000 1.383 10 I HN 0.487 nan 8.210 nan 0.000 0.456 11 S N -0.655 115.088 115.700 0.072 0.000 2.599 11 S HA 0.389 4.858 4.470 -0.000 0.000 0.294 11 S C 0.489 175.140 174.600 0.085 0.000 1.094 11 S CA -0.553 57.693 58.200 0.076 0.000 0.931 11 S CB 1.450 64.684 63.200 0.057 0.000 1.093 11 S HN 0.147 nan 8.310 nan 0.000 0.488 12 I N 2.974 123.600 120.570 0.094 0.000 2.546 12 I HA 0.101 4.271 4.170 -0.000 0.000 0.255 12 I C 1.341 177.507 176.117 0.082 0.000 1.163 12 I CA 1.271 62.630 61.300 0.098 0.000 1.457 12 I CB -0.214 37.851 38.000 0.108 0.000 1.092 12 I HN 0.587 nan 8.210 nan 0.000 0.434 13 N N 0.771 119.513 118.700 0.070 0.000 2.501 13 N HA -0.076 4.664 4.740 -0.000 0.000 0.195 13 N C 0.664 176.200 175.510 0.044 0.000 1.213 13 N CA 0.510 53.592 53.050 0.054 0.000 0.864 13 N CB -0.120 38.395 38.487 0.047 0.000 0.999 13 N HN 0.406 nan 8.380 nan 0.000 0.454 14 D N -0.561 119.870 120.400 0.051 0.000 2.380 14 D HA 0.165 4.805 4.640 -0.000 0.000 0.212 14 D C 0.408 176.735 176.300 0.045 0.000 1.021 14 D CA 0.189 54.216 54.000 0.045 0.000 0.884 14 D CB 0.733 41.564 40.800 0.052 0.000 1.001 14 D HN 0.154 nan 8.370 nan 0.000 0.506 15 L N 1.343 122.599 121.223 0.055 0.000 2.326 15 L HA 0.304 4.644 4.340 -0.000 0.000 0.278 15 L C 0.903 177.795 176.870 0.037 0.000 1.092 15 L CA -0.568 54.304 54.840 0.053 0.000 0.810 15 L CB 1.443 43.546 42.059 0.074 0.000 1.153 15 L HN -0.081 nan 8.230 nan 0.000 0.439 16 S N 2.523 118.235 115.700 0.020 0.000 2.681 16 S HA 0.273 4.743 4.470 -0.000 0.000 0.270 16 S C 1.044 175.617 174.600 -0.045 0.000 1.209 16 S CA -0.700 57.491 58.200 -0.015 0.000 0.988 16 S CB 1.457 64.647 63.200 -0.017 0.000 1.006 16 S HN 0.739 nan 8.310 nan 0.000 0.558 17 R N 0.504 120.921 120.500 -0.137 0.000 2.103 17 R HA -0.182 4.158 4.340 -0.000 0.000 0.242 17 R C 1.065 177.296 176.300 -0.116 0.000 1.142 17 R CA 2.247 58.172 56.100 -0.290 0.000 0.960 17 R CB -0.837 29.209 30.300 -0.424 0.000 0.858 17 R HN 0.773 nan 8.270 nan 0.000 0.439 18 D N 0.701 121.066 120.400 -0.059 0.000 2.084 18 D HA -0.164 4.476 4.640 -0.000 0.000 0.194 18 D C 1.533 177.855 176.300 0.036 0.000 0.990 18 D CA 1.406 55.405 54.000 -0.002 0.000 0.826 18 D CB -0.396 40.402 40.800 -0.003 0.000 0.971 18 D HN 0.357 nan 8.370 nan 0.000 0.453 19 D N 0.644 121.065 120.400 0.035 0.000 2.144 19 D HA -0.095 4.545 4.640 -0.000 0.000 0.199 19 D C 2.456 178.808 176.300 0.087 0.000 0.984 19 D CA 0.316 54.350 54.000 0.056 0.000 0.834 19 D CB -0.220 40.610 40.800 0.051 0.000 0.955 19 D HN 0.233 nan 8.370 nan 0.000 0.465 20 L N 0.999 122.289 121.223 0.112 0.000 2.046 20 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 20 L C 2.189 179.179 176.870 0.201 0.000 1.077 20 L CA 0.859 55.810 54.840 0.184 0.000 0.747 20 L CB -0.327 41.910 42.059 0.297 0.000 0.896 20 L HN -0.014 nan 8.230 nan 0.000 0.432 21 N N 0.028 118.845 118.700 0.195 0.000 2.106 21 N HA -0.182 4.558 4.740 -0.000 0.000 0.188 21 N C 1.776 177.359 175.510 0.122 0.000 1.029 21 N CA 1.075 54.234 53.050 0.182 0.000 0.848 21 N CB -0.471 38.114 38.487 0.163 0.000 1.007 21 N HN 0.143 nan 8.380 nan 0.000 0.423 22 L N 1.094 122.372 121.223 0.092 0.000 2.127 22 L HA -0.085 4.255 4.340 -0.000 0.000 0.211 22 L C 1.902 178.807 176.870 0.059 0.000 1.089 22 L CA 1.229 56.110 54.840 0.068 0.000 0.757 22 L CB -0.334 41.759 42.059 0.057 0.000 0.899 22 L HN -0.081 nan 8.230 nan 0.000 0.434 23 V N -0.731 119.224 119.914 0.069 0.000 2.488 23 V HA -0.197 3.923 4.120 -0.000 0.000 0.246 23 V C 2.335 178.439 176.094 0.017 0.000 1.046 23 V CA 1.458 63.785 62.300 0.044 0.000 1.053 23 V CB -0.333 31.526 31.823 0.060 0.000 0.679 23 V HN 0.403 nan 8.190 nan 0.000 0.458 24 L N -0.062 121.207 121.223 0.075 0.000 2.313 24 L HA 0.010 4.350 4.340 -0.000 0.000 0.214 24 L C 2.599 179.529 176.870 0.100 0.000 1.119 24 L CA 1.185 56.090 54.840 0.109 0.000 0.809 24 L CB -0.803 41.402 42.059 0.244 0.000 0.933 24 L HN 0.360 nan 8.230 nan 0.000 0.449 25 A N -0.078 122.791 122.820 0.082 0.000 1.898 25 A HA -0.114 4.206 4.320 -0.000 0.000 0.214 25 A C 2.362 179.962 177.584 0.027 0.000 1.183 25 A CA 1.808 53.890 52.037 0.074 0.000 0.622 25 A CB -0.639 18.403 19.000 0.071 0.000 0.824 25 A HN 0.269 nan 8.150 nan 0.000 0.444 26 T N 0.266 114.819 114.554 -0.001 0.000 2.821 26 T HA 0.019 4.369 4.350 -0.000 0.000 0.267 26 T C 2.190 176.853 174.700 -0.061 0.000 1.046 26 T CA 1.371 63.462 62.100 -0.015 0.000 1.139 26 T CB -0.360 68.505 68.868 -0.005 0.000 0.871 26 T HN 0.556 nan 8.240 nan 0.000 0.454 27 A N 1.421 124.142 122.820 -0.164 0.000 1.940 27 A HA 0.104 4.424 4.320 -0.000 0.000 0.219 27 A C 2.620 180.022 177.584 -0.304 0.000 1.176 27 A CA 1.842 53.681 52.037 -0.329 0.000 0.631 27 A CB -1.033 17.505 19.000 -0.771 0.000 0.814 27 A HN 0.505 nan 8.150 nan 0.000 0.446 28 A N 0.014 122.756 122.820 -0.130 0.000 1.908 28 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 28 A C 2.118 179.706 177.584 0.007 0.000 1.181 28 A CA 1.896 53.988 52.037 0.091 0.000 0.627 28 A CB -0.428 18.684 19.000 0.186 0.000 0.818 28 A HN 0.580 nan 8.150 nan 0.000 0.445 29 K N -0.370 120.028 120.400 -0.002 0.000 2.057 29 K HA 0.044 4.364 4.320 -0.000 0.000 0.206 29 K C 1.852 178.452 176.600 0.001 0.000 1.050 29 K CA 1.226 57.514 56.287 0.002 0.000 0.935 29 K CB -0.368 32.139 32.500 0.010 0.000 0.715 29 K HN 0.442 nan 8.250 nan 0.000 0.439 30 L N 1.242 122.468 121.223 0.006 0.000 2.083 30 L HA -0.164 4.175 4.340 -0.000 0.000 0.209 30 L C 2.559 179.481 176.870 0.088 0.000 1.083 30 L CA 1.199 56.079 54.840 0.067 0.000 0.752 30 L CB -0.327 41.800 42.059 0.114 0.000 0.899 30 L HN 0.180 nan 8.230 nan 0.000 0.433 31 K N 0.078 120.418 120.400 -0.101 0.000 2.288 31 K HA -0.094 4.226 4.320 -0.000 0.000 0.201 31 K C 1.863 178.372 176.600 -0.151 0.000 1.048 31 K CA 0.954 56.978 56.287 -0.438 0.000 0.956 31 K CB 0.158 32.030 32.500 -1.047 0.000 0.746 31 K HN 0.280 nan 8.250 nan 0.000 0.461 32 A N 0.798 123.579 122.820 -0.065 0.000 1.896 32 A HA 0.028 4.347 4.320 -0.000 0.000 0.213 32 A C 0.685 178.276 177.584 0.011 0.000 1.306 32 A CA 0.522 52.546 52.037 -0.022 0.000 0.626 32 A CB -0.157 18.834 19.000 -0.014 0.000 0.994 32 A HN 0.365 nan 8.150 nan 0.000 0.475 33 N N 1.177 119.889 118.700 0.019 0.000 2.564 33 N HA 0.276 5.016 4.740 -0.000 0.000 0.248 33 N C -3.041 172.493 175.510 0.040 0.000 0.986 33 N CA -1.667 51.400 53.050 0.028 0.000 0.921 33 N CB 1.613 40.112 38.487 0.020 0.000 1.136 33 N HN 0.167 nan 8.380 nan 0.000 0.509 34 P HA 0.019 nan 4.420 nan 0.000 0.269 34 P C -1.066 176.260 177.300 0.043 0.000 1.215 34 P CA 0.089 63.227 63.100 0.063 0.000 0.780 34 P CB 0.872 32.612 31.700 0.066 0.000 0.898 35 Q N 1.724 121.548 119.800 0.040 0.000 3.230 35 Q HA 0.187 4.527 4.340 -0.000 0.000 0.303 35 Q C -1.754 174.258 176.000 0.020 0.000 0.884 35 Q CA -1.465 54.354 55.803 0.026 0.000 0.859 35 Q CB 1.274 30.026 28.738 0.024 0.000 1.432 35 Q HN 0.443 nan 8.270 nan 0.000 0.403 36 P HA -0.156 nan 4.420 nan 0.000 0.222 36 P C 0.235 177.535 177.300 -0.001 0.000 1.142 36 P CA 1.229 64.338 63.100 0.015 0.000 0.788 36 P CB 0.539 32.248 31.700 0.017 0.000 0.767 37 E N -1.447 118.747 120.200 -0.011 0.000 2.548 37 E HA 0.082 4.431 4.350 -0.000 0.000 0.206 37 E C 1.372 177.946 176.600 -0.043 0.000 1.005 37 E CA -0.460 55.917 56.400 -0.038 0.000 0.951 37 E CB -0.052 29.623 29.700 -0.042 0.000 1.035 37 E HN 0.026 nan 8.360 nan 0.000 0.470 38 L N 0.474 121.687 121.223 -0.017 0.000 2.017 38 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 38 L C 1.467 178.332 176.870 -0.008 0.000 1.073 38 L CA 1.911 56.747 54.840 -0.006 0.000 0.745 38 L CB -0.154 41.911 42.059 0.011 0.000 0.894 38 L HN 0.207 nan 8.230 nan 0.000 0.432 39 L N 0.193 121.410 121.223 -0.010 0.000 2.791 39 L HA 0.102 4.442 4.340 -0.000 0.000 0.239 39 L C 0.594 177.444 176.870 -0.033 0.000 1.203 39 L CA -0.333 54.505 54.840 -0.003 0.000 1.002 39 L CB -0.467 41.599 42.059 0.012 0.000 1.295 39 L HN 0.229 nan 8.230 nan 0.000 0.504 40 K N -0.528 119.810 120.400 -0.104 0.000 2.401 40 K HA 0.094 4.414 4.320 -0.000 0.000 0.278 40 K C -0.178 176.271 176.600 -0.251 0.000 1.018 40 K CA -0.019 56.135 56.287 -0.221 0.000 0.981 40 K CB 0.262 32.537 32.500 -0.374 0.000 0.933 40 K HN 0.283 nan 8.250 nan 0.000 0.477 41 H N -1.191 117.895 119.070 0.028 0.000 3.164 41 H HA -0.089 4.467 4.556 -0.000 0.000 0.223 41 H C -0.772 174.572 175.328 0.027 0.000 1.177 41 H CA 0.362 56.427 56.048 0.027 0.000 1.120 41 H CB -0.663 29.115 29.762 0.027 0.000 1.192 41 H HN 0.553 nan 8.280 nan 0.000 0.313 42 K N 1.160 121.621 120.400 0.102 0.000 2.156 42 K HA 0.683 5.003 4.320 -0.000 0.000 0.250 42 K C -0.082 176.549 176.600 0.051 0.000 0.955 42 K CA -0.819 55.510 56.287 0.070 0.000 0.855 42 K CB 2.581 35.108 32.500 0.045 0.000 1.101 42 K HN -0.003 nan 8.250 nan 0.000 0.434 43 V N 3.393 123.334 119.914 0.045 0.000 2.445 43 V HA 0.293 4.413 4.120 -0.000 0.000 0.283 43 V C -0.698 175.412 176.094 0.026 0.000 1.014 43 V CA -0.837 61.484 62.300 0.035 0.000 0.852 43 V CB 1.156 33.013 31.823 0.056 0.000 1.021 43 V HN 0.527 nan 8.190 nan 0.000 0.435 44 I N 4.063 124.633 120.570 0.001 0.000 2.315 44 I HA 0.621 4.791 4.170 -0.000 0.000 0.291 44 I C 0.855 176.959 176.117 -0.021 0.000 1.006 44 I CA -0.074 61.222 61.300 -0.006 0.000 1.265 44 I CB 1.724 39.722 38.000 -0.003 0.000 1.387 44 I HN 0.667 nan 8.210 nan 0.000 0.475 45 A N 4.467 127.273 122.820 -0.025 0.000 2.404 45 A HA 0.419 4.739 4.320 -0.000 0.000 0.273 45 A C 0.368 177.872 177.584 -0.133 0.000 1.144 45 A CA -0.125 51.881 52.037 -0.052 0.000 0.806 45 A CB 0.141 19.124 19.000 -0.028 0.000 1.080 45 A HN 0.610 nan 8.150 nan 0.000 0.509 46 S N 2.214 117.829 115.700 -0.142 0.000 2.466 46 S HA 0.365 4.835 4.470 -0.000 0.000 0.313 46 S C -0.534 173.853 174.600 -0.356 0.000 1.078 46 S CA -0.527 57.594 58.200 -0.133 0.000 1.115 46 S CB -0.658 62.571 63.200 0.048 0.000 1.006 46 S HN 0.718 nan 8.310 nan 0.000 0.487 47 C N 6.212 125.115 119.300 -0.662 0.000 2.225 47 C HA 0.502 4.962 4.460 -0.000 0.000 0.323 47 C C -0.427 173.902 174.990 -1.102 0.000 1.164 47 C CA -0.909 57.326 59.018 -1.305 0.000 1.565 47 C CB -1.696 25.378 27.740 -1.109 0.000 2.124 47 C HN 0.782 nan 8.230 nan 0.000 0.461 48 F N 2.977 122.461 119.950 -0.777 0.000 2.293 48 F HA 0.369 4.896 4.527 -0.000 0.000 0.370 48 F C 0.718 176.466 175.800 -0.087 0.000 1.090 48 F CA -1.006 56.824 58.000 -0.284 0.000 1.133 48 F CB 0.162 39.081 39.000 -0.135 0.000 1.360 48 F HN 0.551 nan 8.300 nan 0.000 0.489 49 F N -0.035 120.078 119.950 0.271 0.000 2.661 49 F HA 0.024 4.551 4.527 -0.000 0.000 0.298 49 F C 1.134 176.996 175.800 0.104 0.000 1.137 49 F CA 0.265 58.416 58.000 0.252 0.000 1.454 49 F CB 0.031 39.166 39.000 0.226 0.000 1.103 49 F HN 0.300 nan 8.300 nan 0.000 0.577 50 E N 1.183 121.545 120.200 0.269 0.000 2.155 50 E HA 0.558 4.907 4.350 -0.000 0.000 0.264 50 E C -0.790 175.943 176.600 0.221 0.000 0.886 50 E CA -0.841 55.662 56.400 0.172 0.000 0.752 50 E CB 1.274 31.048 29.700 0.124 0.000 1.133 50 E HN 0.055 nan 8.360 nan 0.000 0.414 51 A N 3.639 126.554 122.820 0.158 0.000 2.484 51 A HA 0.201 4.521 4.320 -0.000 0.000 0.268 51 A C 0.178 177.833 177.584 0.118 0.000 1.114 51 A CA 0.114 52.230 52.037 0.133 0.000 0.780 51 A CB 0.419 19.465 19.000 0.077 0.000 1.061 51 A HN 0.389 nan 8.150 nan 0.000 0.505 52 S N 2.424 118.188 115.700 0.107 0.000 2.359 52 S HA 0.246 4.715 4.470 -0.000 0.000 0.148 52 S C 1.206 175.758 174.600 -0.081 0.000 1.610 52 S CA 0.055 58.307 58.200 0.087 0.000 1.274 52 S CB -0.307 63.039 63.200 0.244 0.000 1.380 52 S HN 0.764 nan 8.310 nan 0.000 0.380 53 T N 2.424 116.923 114.554 -0.091 0.000 2.620 53 T HA -0.247 4.103 4.350 -0.000 0.000 0.267 53 T C 1.880 176.522 174.700 -0.097 0.000 1.044 53 T CA 1.996 64.020 62.100 -0.127 0.000 1.161 53 T CB -0.283 68.548 68.868 -0.060 0.000 0.862 53 T HN 0.613 nan 8.240 nan 0.000 0.438 54 R N 0.220 120.710 120.500 -0.016 0.000 2.103 54 R HA -0.163 4.177 4.340 -0.000 0.000 0.234 54 R C 2.655 178.985 176.300 0.051 0.000 1.132 54 R CA 2.199 58.316 56.100 0.027 0.000 0.925 54 R CB -0.865 29.479 30.300 0.073 0.000 0.842 54 R HN 0.309 nan 8.270 nan 0.000 0.430 55 T N 0.688 115.314 114.554 0.119 0.000 2.624 55 T HA -0.263 4.087 4.350 -0.000 0.000 0.268 55 T C 1.753 176.556 174.700 0.171 0.000 1.041 55 T CA 1.914 64.157 62.100 0.239 0.000 1.159 55 T CB -0.361 68.754 68.868 0.410 0.000 0.863 55 T HN 0.363 nan 8.240 nan 0.000 0.434 56 R N 0.502 120.885 120.500 -0.196 0.000 2.122 56 R HA -0.130 4.210 4.340 -0.000 0.000 0.236 56 R C 2.489 178.704 176.300 -0.140 0.000 1.129 56 R CA 1.835 57.594 56.100 -0.568 0.000 0.925 56 R CB -0.687 28.849 30.300 -1.272 0.000 0.850 56 R HN 0.377 nan 8.270 nan 0.000 0.431 57 L N 0.263 121.413 121.223 -0.122 0.000 2.051 57 L HA -0.266 4.074 4.340 -0.000 0.000 0.214 57 L C 2.810 179.688 176.870 0.013 0.000 1.076 57 L CA 1.776 56.593 54.840 -0.040 0.000 0.758 57 L CB -0.614 41.420 42.059 -0.042 0.000 0.890 57 L HN 0.370 nan 8.230 nan 0.000 0.433 58 S N -0.505 115.210 115.700 0.024 0.000 2.343 58 S HA -0.201 4.269 4.470 -0.000 0.000 0.219 58 S C 1.949 176.554 174.600 0.008 0.000 1.033 58 S CA 1.292 59.491 58.200 -0.002 0.000 1.014 58 S CB -0.373 62.829 63.200 0.002 0.000 0.915 58 S HN 0.298 nan 8.310 nan 0.000 0.435 59 F N 1.996 121.973 119.950 0.044 0.000 2.065 59 F HA -0.148 4.379 4.527 -0.000 0.000 0.298 59 F C 2.633 178.452 175.800 0.032 0.000 1.112 59 F CA 2.163 60.205 58.000 0.070 0.000 1.212 59 F CB -0.312 38.791 39.000 0.171 0.000 0.975 59 F HN 0.337 nan 8.300 nan 0.000 0.476 60 E N -0.967 119.376 120.200 0.239 0.000 2.118 60 E HA -0.197 4.153 4.350 -0.000 0.000 0.195 60 E C 2.079 178.783 176.600 0.173 0.000 0.992 60 E CA 1.794 58.280 56.400 0.143 0.000 0.804 60 E CB -0.415 29.352 29.700 0.112 0.000 0.741 60 E HN 0.419 nan 8.360 nan 0.000 0.458 61 T N 0.592 115.217 114.554 0.119 0.000 2.770 61 T HA -0.096 4.254 4.350 -0.000 0.000 0.263 61 T C 2.177 176.903 174.700 0.042 0.000 1.039 61 T CA 1.088 63.243 62.100 0.091 0.000 1.142 61 T CB -0.214 68.653 68.868 -0.002 0.000 0.868 61 T HN 0.029 nan 8.240 nan 0.000 0.435 62 S N 1.116 116.799 115.700 -0.028 0.000 2.380 62 S HA -0.149 4.321 4.470 -0.000 0.000 0.229 62 S C 2.076 176.668 174.600 -0.012 0.000 1.043 62 S CA 1.394 59.550 58.200 -0.074 0.000 1.038 62 S CB -0.411 62.697 63.200 -0.154 0.000 0.872 62 S HN 0.388 nan 8.310 nan 0.000 0.456 63 M N -0.167 119.445 119.600 0.020 0.000 2.067 63 M HA -0.121 4.359 4.480 -0.000 0.000 0.260 63 M C 1.972 178.252 176.300 -0.034 0.000 1.069 63 M CA 1.674 56.960 55.300 -0.023 0.000 1.117 63 M CB -0.473 32.067 32.600 -0.099 0.000 1.334 63 M HN 0.372 nan 8.290 nan 0.000 0.407 64 H N -0.931 118.147 119.070 0.014 0.000 2.491 64 H HA 0.011 4.567 4.556 -0.000 0.000 0.290 64 H C 1.596 176.919 175.328 -0.008 0.000 1.050 64 H CA 0.868 56.918 56.048 0.003 0.000 1.309 64 H CB 0.074 29.836 29.762 -0.001 0.000 1.392 64 H HN 0.231 nan 8.280 nan 0.000 0.554 65 R N 0.167 120.724 120.500 0.095 0.000 2.313 65 R HA 0.070 4.410 4.340 -0.000 0.000 0.199 65 R C 0.661 176.979 176.300 0.030 0.000 0.958 65 R CA 0.321 56.445 56.100 0.041 0.000 1.047 65 R CB 0.341 30.639 30.300 -0.003 0.000 0.955 65 R HN 0.349 nan 8.270 nan 0.000 0.481 66 L N -1.169 120.071 121.223 0.029 0.000 2.858 66 L HA 0.254 4.594 4.340 -0.000 0.000 0.251 66 L C 0.833 177.710 176.870 0.011 0.000 1.149 66 L CA 0.086 54.937 54.840 0.018 0.000 0.955 66 L CB 1.052 43.120 42.059 0.014 0.000 1.289 66 L HN 0.357 nan 8.230 nan 0.000 0.542 67 G N 0.440 109.255 108.800 0.024 0.000 2.157 67 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.248 67 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.248 67 G C 0.322 175.226 174.900 0.006 0.000 0.979 67 G CA 0.106 45.215 45.100 0.014 0.000 0.650 67 G HN 0.454 nan 8.290 nan 0.000 0.529 68 A N -0.042 122.774 122.820 -0.005 0.000 2.302 68 A HA 0.842 5.162 4.320 -0.000 0.000 0.285 68 A C 0.714 178.257 177.584 -0.069 0.000 1.105 68 A CA 0.672 52.693 52.037 -0.028 0.000 0.816 68 A CB 0.828 19.808 19.000 -0.034 0.000 1.067 68 A HN 1.008 nan 8.150 nan 0.000 0.489 69 S N -0.582 115.097 115.700 -0.035 0.000 2.646 69 S HA 0.616 5.086 4.470 -0.000 0.000 0.276 69 S C -0.305 174.240 174.600 -0.093 0.000 1.222 69 S CA -0.524 57.656 58.200 -0.033 0.000 1.014 69 S CB 1.325 64.543 63.200 0.030 0.000 0.991 69 S HN 0.678 nan 8.310 nan 0.000 0.533 70 V N 1.591 121.451 119.914 -0.089 0.000 2.789 70 V HA 0.812 4.932 4.120 -0.000 0.000 0.311 70 V C -0.569 175.526 176.094 0.001 0.000 1.073 70 V CA -0.850 61.404 62.300 -0.075 0.000 0.921 70 V CB 1.577 33.307 31.823 -0.155 0.000 1.009 70 V HN 0.826 nan 8.190 nan 0.000 0.426 71 V N 0.087 120.003 119.914 0.004 0.000 3.012 71 V HA 1.138 5.257 4.120 -0.000 0.000 0.307 71 V C -0.107 175.990 176.094 0.005 0.000 1.166 71 V CA 0.351 62.667 62.300 0.026 0.000 0.974 71 V CB 1.383 33.230 31.823 0.039 0.000 1.040 71 V HN 1.616 nan 8.190 nan 0.000 0.428 72 G N 1.912 110.727 108.800 0.024 0.000 2.452 72 G HA2 0.748 4.707 3.960 -0.000 0.000 0.224 72 G HA3 0.748 4.707 3.960 -0.000 0.000 0.224 72 G C -1.342 173.601 174.900 0.071 0.000 1.208 72 G CA 0.384 45.436 45.100 -0.080 0.000 0.946 72 G HN 2.242 nan 8.290 nan 0.000 0.481 73 F N -1.797 118.151 119.950 -0.003 0.000 3.332 73 F HA 0.833 5.360 4.527 -0.000 0.000 0.327 73 F C -0.578 175.223 175.800 0.002 0.000 1.128 73 F CA -0.649 57.337 58.000 -0.023 0.000 0.854 73 F CB 0.941 39.903 39.000 -0.063 0.000 1.500 73 F HN 1.314 nan 8.300 nan 0.000 0.485 74 S N -0.284 115.658 115.700 0.404 0.000 2.570 74 S HA 0.595 5.065 4.470 -0.000 0.000 0.270 74 S C -1.119 173.610 174.600 0.214 0.000 1.149 74 S CA -0.237 58.120 58.200 0.262 0.000 0.837 74 S CB 1.944 65.201 63.200 0.095 0.000 1.124 74 S HN 1.387 nan 8.310 nan 0.000 0.465 75 D N 0.760 121.267 120.400 0.178 0.000 3.364 75 D HA -0.208 4.432 4.640 -0.000 0.000 0.237 75 D C -0.482 175.878 176.300 0.099 0.000 1.750 75 D CA 1.616 55.687 54.000 0.119 0.000 1.121 75 D CB -1.130 39.711 40.800 0.068 0.000 0.767 75 D HN 0.841 nan 8.370 nan 0.000 0.926 76 S N -0.667 115.059 115.700 0.044 0.000 2.606 76 S HA 0.693 5.163 4.470 -0.000 0.000 0.156 76 S C 0.074 174.663 174.600 -0.018 0.000 1.308 76 S CA 0.213 58.413 58.200 0.001 0.000 1.228 76 S CB 0.860 64.083 63.200 0.038 0.000 1.568 76 S HN 0.762 nan 8.310 nan 0.000 0.397 77 A N 1.544 124.349 122.820 -0.025 0.000 1.704 77 A HA 0.298 4.618 4.320 -0.000 0.000 0.205 77 A C 1.284 178.849 177.584 -0.032 0.000 1.837 77 A CA -0.005 52.019 52.037 -0.022 0.000 1.364 77 A CB -0.142 18.854 19.000 -0.006 0.000 1.377 77 A HN 0.498 nan 8.150 nan 0.000 0.390 78 N N 0.661 119.346 118.700 -0.025 0.000 2.515 78 N HA -0.019 4.721 4.740 -0.000 0.000 0.185 78 N C -0.624 174.833 175.510 -0.088 0.000 1.109 78 N CA 1.107 54.147 53.050 -0.017 0.000 0.903 78 N CB 0.240 38.748 38.487 0.035 0.000 0.969 78 N HN 0.386 nan 8.380 nan 0.000 0.450 79 T N -0.099 114.355 114.554 -0.166 0.000 2.807 79 T HA 0.207 4.557 4.350 -0.000 0.000 0.279 79 T C 0.586 175.174 174.700 -0.185 0.000 0.993 79 T CA -0.762 61.139 62.100 -0.333 0.000 0.970 79 T CB 1.758 70.323 68.868 -0.506 0.000 0.950 79 T HN 0.099 nan 8.240 nan 0.000 0.441 80 S N 1.899 117.500 115.700 -0.165 0.000 2.602 80 S HA 0.321 4.791 4.470 -0.000 0.000 0.240 80 S C 0.245 174.799 174.600 -0.077 0.000 0.992 80 S CA -0.566 57.580 58.200 -0.090 0.000 0.971 80 S CB -0.403 62.761 63.200 -0.060 0.000 0.855 80 S HN 0.542 nan 8.310 nan 0.000 0.481 81 L N 2.152 123.309 121.223 -0.110 0.000 2.305 81 L HA 0.610 4.950 4.340 -0.000 0.000 0.281 81 L C 1.167 178.031 176.870 -0.011 0.000 1.085 81 L CA 0.145 54.956 54.840 -0.049 0.000 0.813 81 L CB 0.707 42.742 42.059 -0.040 0.000 1.157 81 L HN 0.461 nan 8.230 nan 0.000 0.436 82 G N 2.298 111.093 108.800 -0.009 0.000 2.272 82 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.280 82 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.280 82 G C 0.793 175.682 174.900 -0.018 0.000 1.067 82 G CA 0.715 45.806 45.100 -0.015 0.000 0.902 82 G HN 0.806 nan 8.290 nan 0.000 0.500 83 K N -0.305 120.083 120.400 -0.020 0.000 1.974 83 K HA 0.033 4.353 4.320 -0.000 0.000 0.211 83 K C 2.440 179.028 176.600 -0.020 0.000 1.039 83 K CA 1.443 57.718 56.287 -0.020 0.000 0.947 83 K CB -0.165 32.322 32.500 -0.021 0.000 0.735 83 K HN 0.223 nan 8.250 nan 0.000 0.441 84 K N -1.407 118.982 120.400 -0.019 0.000 2.228 84 K HA 0.048 4.368 4.320 -0.000 0.000 0.202 84 K C 0.789 177.377 176.600 -0.021 0.000 1.051 84 K CA 1.140 57.416 56.287 -0.018 0.000 0.960 84 K CB 0.681 33.172 32.500 -0.016 0.000 0.743 84 K HN 0.550 nan 8.250 nan 0.000 0.458 85 G N 0.179 108.965 108.800 -0.025 0.000 4.553 85 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.222 85 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.222 85 G C -0.902 173.976 174.900 -0.038 0.000 0.795 85 G CA -0.616 44.465 45.100 -0.030 0.000 1.181 85 G HN 0.126 nan 8.290 nan 0.000 0.766 86 E N 1.770 121.949 120.200 -0.036 0.000 2.398 86 E HA 0.421 4.771 4.350 -0.000 0.000 0.263 86 E C 0.937 177.498 176.600 -0.066 0.000 1.046 86 E CA 0.322 56.696 56.400 -0.044 0.000 0.908 86 E CB 0.739 30.419 29.700 -0.032 0.000 0.963 86 E HN 0.285 nan 8.360 nan 0.000 0.431 87 T N 1.221 115.718 114.554 -0.094 0.000 2.874 87 T HA 0.108 4.458 4.350 -0.000 0.000 0.281 87 T C 1.024 175.617 174.700 -0.179 0.000 0.994 87 T CA -0.792 61.222 62.100 -0.143 0.000 1.015 87 T CB 1.059 69.817 68.868 -0.182 0.000 1.028 87 T HN 0.495 nan 8.240 nan 0.000 0.523 88 L N 1.646 122.724 121.223 -0.242 0.000 2.131 88 L HA 0.254 4.594 4.340 -0.000 0.000 0.206 88 L C 2.737 179.392 176.870 -0.359 0.000 1.087 88 L CA 2.020 56.683 54.840 -0.294 0.000 0.767 88 L CB -1.385 40.437 42.059 -0.396 0.000 0.917 88 L HN 0.931 nan 8.230 nan 0.000 0.441 89 A N -0.678 121.815 122.820 -0.545 0.000 1.908 89 A HA -0.268 4.052 4.320 -0.000 0.000 0.218 89 A C 2.011 179.271 177.584 -0.540 0.000 1.181 89 A CA 2.127 53.564 52.037 -1.000 0.000 0.627 89 A CB -0.892 17.163 19.000 -1.575 0.000 0.818 89 A HN 0.511 nan 8.150 nan 0.000 0.445 90 D N -1.120 119.090 120.400 -0.318 0.000 2.097 90 D HA -0.064 4.576 4.640 -0.000 0.000 0.197 90 D C 2.118 178.360 176.300 -0.098 0.000 0.984 90 D CA 1.724 55.631 54.000 -0.155 0.000 0.826 90 D CB -0.396 40.339 40.800 -0.108 0.000 0.973 90 D HN 0.365 nan 8.370 nan 0.000 0.460 91 T N 0.854 115.356 114.554 -0.086 0.000 2.665 91 T HA -0.154 4.196 4.350 -0.000 0.000 0.268 91 T C 1.817 176.513 174.700 -0.007 0.000 1.035 91 T CA 0.730 62.827 62.100 -0.006 0.000 1.151 91 T CB -0.138 68.763 68.868 0.054 0.000 0.862 91 T HN 0.057 nan 8.240 nan 0.000 0.438 92 I N 1.524 122.068 120.570 -0.045 0.000 2.127 92 I HA -0.119 4.050 4.170 -0.000 0.000 0.241 92 I C 2.669 178.767 176.117 -0.033 0.000 1.075 92 I CA 1.220 62.505 61.300 -0.026 0.000 1.334 92 I CB -1.598 36.386 38.000 -0.026 0.000 1.040 92 I HN 0.166 nan 8.210 nan 0.000 0.405 93 S N 0.428 116.116 115.700 -0.019 0.000 2.370 93 S HA -0.135 4.335 4.470 -0.000 0.000 0.226 93 S C 2.250 176.807 174.600 -0.072 0.000 1.033 93 S CA 1.296 59.497 58.200 0.001 0.000 1.011 93 S CB -0.379 62.843 63.200 0.036 0.000 0.852 93 S HN 0.268 nan 8.310 nan 0.000 0.457 94 V N 1.885 121.742 119.914 -0.095 0.000 2.244 94 V HA -0.120 4.000 4.120 -0.000 0.000 0.244 94 V C 2.106 177.914 176.094 -0.476 0.000 1.042 94 V CA 1.522 63.724 62.300 -0.163 0.000 1.006 94 V CB -0.562 31.238 31.823 -0.038 0.000 0.641 94 V HN 0.435 nan 8.190 nan 0.000 0.446 95 I N 1.241 121.584 120.570 -0.379 0.000 2.208 95 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 95 I C 2.379 178.238 176.117 -0.431 0.000 1.097 95 I CA 1.909 62.915 61.300 -0.489 0.000 1.363 95 I CB -0.416 37.539 38.000 -0.075 0.000 1.051 95 I HN 0.487 nan 8.210 nan 0.000 0.413 96 S N -0.612 114.951 115.700 -0.228 0.000 2.653 96 S HA -0.080 4.390 4.470 -0.000 0.000 0.233 96 S C 1.599 176.112 174.600 -0.144 0.000 0.970 96 S CA 0.934 59.056 58.200 -0.132 0.000 0.947 96 S CB -0.881 62.288 63.200 -0.051 0.000 0.771 96 S HN 0.606 nan 8.310 nan 0.000 0.538 97 T N -1.852 112.536 114.554 -0.277 0.000 3.014 97 T HA 0.177 4.527 4.350 -0.000 0.000 0.250 97 T C 1.356 176.023 174.700 -0.056 0.000 1.060 97 T CA 0.081 62.083 62.100 -0.164 0.000 1.040 97 T CB -0.497 68.278 68.868 -0.154 0.000 0.971 97 T HN 0.639 nan 8.240 nan 0.000 0.497 98 Y N 1.680 121.996 120.300 0.027 0.000 2.581 98 Y HA 0.587 5.137 4.550 -0.000 0.000 0.271 98 Y C 1.148 177.061 175.900 0.021 0.000 1.100 98 Y CA -0.913 57.201 58.100 0.024 0.000 1.281 98 Y CB -0.689 37.786 38.460 0.026 0.000 1.237 98 Y HN 0.190 nan 8.280 nan 0.000 0.514 99 V N -0.209 119.817 119.914 0.187 0.000 3.403 99 V HA 0.358 4.478 4.120 -0.000 0.000 0.305 99 V C -0.006 176.124 176.094 0.060 0.000 1.060 99 V CA -0.190 62.183 62.300 0.121 0.000 1.053 99 V CB 1.335 33.216 31.823 0.096 0.000 1.198 99 V HN 0.078 nan 8.190 nan 0.000 0.447 100 D N 0.274 120.701 120.400 0.044 0.000 2.423 100 D HA 0.580 5.219 4.640 -0.000 0.000 0.212 100 D C 0.368 176.672 176.300 0.006 0.000 1.060 100 D CA 1.237 55.253 54.000 0.026 0.000 0.872 100 D CB 0.845 41.666 40.800 0.036 0.000 1.012 100 D HN 1.064 nan 8.370 nan 0.000 0.503 101 A N 0.175 122.998 122.820 0.005 0.000 2.589 101 A HA 0.648 4.967 4.320 -0.000 0.000 0.296 101 A C -1.569 176.002 177.584 -0.021 0.000 1.062 101 A CA -0.582 51.452 52.037 -0.006 0.000 0.686 101 A CB 1.110 20.111 19.000 0.002 0.000 1.282 101 A HN 0.011 nan 8.150 nan 0.000 0.404 102 I N 2.073 122.623 120.570 -0.034 0.000 2.389 102 I HA 0.440 4.610 4.170 -0.000 0.000 0.288 102 I C -0.914 175.119 176.117 -0.141 0.000 0.999 102 I CA -0.906 60.349 61.300 -0.075 0.000 1.129 102 I CB 1.837 39.810 38.000 -0.045 0.000 1.288 102 I HN 0.322 nan 8.210 nan 0.000 0.444 103 V N 7.612 127.378 119.914 -0.248 0.000 2.384 103 V HA 0.557 4.677 4.120 -0.000 0.000 0.287 103 V C -0.063 175.708 176.094 -0.539 0.000 1.020 103 V CA -0.470 61.568 62.300 -0.435 0.000 0.850 103 V CB 1.562 33.008 31.823 -0.628 0.000 0.987 103 V HN 0.767 nan 8.190 nan 0.000 0.436 104 M N 3.700 122.988 119.600 -0.520 0.000 2.484 104 M HA 0.988 5.468 4.480 -0.000 0.000 0.289 104 M C -0.912 175.102 176.300 -0.477 0.000 1.206 104 M CA -0.682 54.316 55.300 -0.503 0.000 0.892 104 M CB 2.494 35.040 32.600 -0.089 0.000 1.712 104 M HN 0.506 nan 8.290 nan 0.000 0.462 105 A N 1.426 123.945 122.820 -0.501 0.000 2.342 105 A HA 0.811 5.131 4.320 -0.000 0.000 0.323 105 A C -1.654 176.036 177.584 0.177 0.000 1.125 105 A CA -0.449 51.451 52.037 -0.227 0.000 0.785 105 A CB 0.991 19.836 19.000 -0.260 0.000 1.221 105 A HN 0.979 nan 8.150 nan 0.000 0.463 106 H N 3.093 122.179 119.070 0.027 0.000 2.895 106 H HA 0.392 4.948 4.556 -0.000 0.000 0.373 106 H C -2.168 173.174 175.328 0.023 0.000 1.174 106 H CA -1.738 54.348 56.048 0.064 0.000 1.144 106 H CB 3.062 32.787 29.762 -0.060 0.000 1.793 106 H HN 0.462 nan 8.280 nan 0.000 0.551 107 P HA -0.034 nan 4.420 nan 0.000 0.227 107 P C -0.225 177.051 177.300 -0.041 0.000 1.161 107 P CA 0.695 63.740 63.100 -0.091 0.000 0.788 107 P CB 1.030 32.639 31.700 -0.151 0.000 0.822 108 Q N 0.541 120.346 119.800 0.009 0.000 2.230 108 Q HA 0.271 4.611 4.340 -0.000 0.000 0.248 108 Q C -0.365 175.692 176.000 0.095 0.000 0.915 108 Q CA -0.665 55.186 55.803 0.079 0.000 0.900 108 Q CB 0.921 29.733 28.738 0.124 0.000 1.229 108 Q HN 0.003 nan 8.270 nan 0.000 0.439 109 E N 0.051 120.279 120.200 0.047 0.000 2.354 109 E HA 0.289 4.639 4.350 -0.000 0.000 0.269 109 E C 0.730 177.338 176.600 0.014 0.000 1.036 109 E CA 1.022 57.441 56.400 0.031 0.000 0.876 109 E CB 0.638 30.350 29.700 0.021 0.000 1.009 109 E HN 0.837 nan 8.360 nan 0.000 0.416 110 G N 1.704 110.503 108.800 -0.001 0.000 2.179 110 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.260 110 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.260 110 G C 1.127 175.989 174.900 -0.064 0.000 0.977 110 G CA 0.812 45.897 45.100 -0.026 0.000 0.641 110 G HN 0.663 nan 8.290 nan 0.000 0.533 111 A N 0.583 123.348 122.820 -0.092 0.000 1.865 111 A HA 0.310 4.630 4.320 -0.000 0.000 0.217 111 A C 2.940 180.398 177.584 -0.209 0.000 1.191 111 A CA 3.218 55.108 52.037 -0.243 0.000 0.623 111 A CB -1.183 17.559 19.000 -0.431 0.000 0.826 111 A HN 1.923 nan 8.150 nan 0.000 0.444 112 A N -0.299 122.436 122.820 -0.141 0.000 1.881 112 A HA -0.313 4.007 4.320 -0.000 0.000 0.219 112 A C 2.297 179.813 177.584 -0.113 0.000 1.215 112 A CA 2.453 54.423 52.037 -0.112 0.000 0.648 112 A CB -0.676 18.284 19.000 -0.067 0.000 0.832 112 A HN 0.585 nan 8.150 nan 0.000 0.455 113 R N -0.714 119.731 120.500 -0.092 0.000 2.081 113 R HA -0.071 4.269 4.340 -0.000 0.000 0.235 113 R C 2.238 178.488 176.300 -0.083 0.000 1.131 113 R CA 1.544 57.584 56.100 -0.099 0.000 0.960 113 R CB -0.429 29.831 30.300 -0.067 0.000 0.856 113 R HN 0.581 nan 8.270 nan 0.000 0.436 114 L N 0.358 121.553 121.223 -0.048 0.000 2.187 114 L HA -0.137 4.203 4.340 -0.000 0.000 0.213 114 L C 2.184 179.134 176.870 0.133 0.000 1.100 114 L CA 1.678 56.550 54.840 0.052 0.000 0.765 114 L CB -0.278 41.785 42.059 0.007 0.000 0.904 114 L HN 0.292 nan 8.230 nan 0.000 0.437 115 A N -0.691 122.119 122.820 -0.015 0.000 2.014 115 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 115 A C 2.296 179.870 177.584 -0.017 0.000 1.163 115 A CA 1.615 53.655 52.037 0.004 0.000 0.652 115 A CB -0.991 17.959 19.000 -0.084 0.000 0.808 115 A HN 0.616 nan 8.150 nan 0.000 0.449 116 T N -2.315 112.133 114.554 -0.175 0.000 3.007 116 T HA -0.043 4.307 4.350 -0.000 0.000 0.270 116 T C 1.275 175.818 174.700 -0.262 0.000 1.107 116 T CA 1.417 63.266 62.100 -0.418 0.000 1.118 116 T CB -0.263 68.126 68.868 -0.798 0.000 0.889 116 T HN 0.617 nan 8.240 nan 0.000 0.506 117 E N -0.289 119.801 120.200 -0.184 0.000 2.435 117 E HA 0.153 4.503 4.350 -0.000 0.000 0.195 117 E C 0.394 176.587 176.600 -0.678 0.000 1.029 117 E CA 0.472 56.610 56.400 -0.435 0.000 0.865 117 E CB 0.053 29.409 29.700 -0.573 0.000 0.833 117 E HN 0.664 nan 8.360 nan 0.000 0.510 118 F N -1.099 118.797 119.950 -0.090 0.000 2.746 118 F HA 0.104 4.631 4.527 -0.000 0.000 0.320 118 F C 1.927 177.692 175.800 -0.059 0.000 1.097 118 F CA -0.107 57.852 58.000 -0.069 0.000 1.195 118 F CB 0.526 39.481 39.000 -0.074 0.000 1.056 118 F HN -0.086 nan 8.300 nan 0.000 0.562 119 S N -0.789 114.957 115.700 0.076 0.000 2.562 119 S HA 0.401 4.871 4.470 -0.000 0.000 0.221 119 S C 1.669 176.292 174.600 0.038 0.000 0.975 119 S CA 0.399 58.630 58.200 0.053 0.000 0.918 119 S CB -0.592 62.644 63.200 0.060 0.000 0.772 119 S HN 0.556 nan 8.310 nan 0.000 0.531 120 G N 2.850 111.663 108.800 0.021 0.000 2.556 120 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.283 120 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.283 120 G C 0.316 175.231 174.900 0.026 0.000 1.177 120 G CA 0.387 45.492 45.100 0.009 0.000 0.978 120 G HN 0.518 nan 8.290 nan 0.000 0.554 121 N N 0.028 118.731 118.700 0.005 0.000 2.449 121 N HA 0.328 5.067 4.740 -0.000 0.000 0.191 121 N C 0.191 175.679 175.510 -0.036 0.000 1.161 121 N CA 0.423 53.462 53.050 -0.018 0.000 0.863 121 N CB 0.466 38.938 38.487 -0.024 0.000 0.980 121 N HN 0.403 nan 8.380 nan 0.000 0.458 122 V N 2.041 121.958 119.914 0.005 0.000 2.407 122 V HA 0.266 4.386 4.120 -0.000 0.000 0.278 122 V C -2.117 174.001 176.094 0.040 0.000 1.037 122 V CA -1.989 60.310 62.300 -0.002 0.000 0.900 122 V CB 1.454 33.281 31.823 0.006 0.000 0.983 122 V HN -0.056 nan 8.190 nan 0.000 0.459 123 P HA 0.170 nan 4.420 nan 0.000 0.271 123 P C -0.719 176.667 177.300 0.143 0.000 1.220 123 P CA 0.086 63.153 63.100 -0.056 0.000 0.768 123 P CB 0.652 32.265 31.700 -0.145 0.000 0.848 124 V N 5.292 125.438 119.914 0.388 0.000 2.483 124 V HA 0.377 4.497 4.120 -0.000 0.000 0.295 124 V C 0.246 176.393 176.094 0.089 0.000 1.035 124 V CA -0.509 61.876 62.300 0.140 0.000 0.896 124 V CB 1.326 33.172 31.823 0.038 0.000 0.986 124 V HN 0.356 nan 8.190 nan 0.000 0.447 125 L N 3.526 124.746 121.223 -0.005 0.000 2.346 125 L HA 0.542 4.882 4.340 -0.000 0.000 0.276 125 L C -0.257 176.570 176.870 -0.071 0.000 1.006 125 L CA -0.517 54.324 54.840 0.002 0.000 0.817 125 L CB 1.912 43.973 42.059 0.004 0.000 1.272 125 L HN 0.571 nan 8.230 nan 0.000 0.421 126 N N 1.498 120.199 118.700 0.003 0.000 2.439 126 N HA 0.381 5.121 4.740 -0.000 0.000 0.249 126 N C 0.347 175.862 175.510 0.008 0.000 1.003 126 N CA -0.108 52.926 53.050 -0.028 0.000 0.942 126 N CB 1.909 40.407 38.487 0.019 0.000 1.115 126 N HN 0.696 nan 8.380 nan 0.000 0.505 127 A N 2.377 125.107 122.820 -0.150 0.000 2.132 127 A HA 0.456 4.775 4.320 -0.000 0.000 0.213 127 A C 0.800 178.166 177.584 -0.364 0.000 1.154 127 A CA 0.723 52.710 52.037 -0.083 0.000 0.753 127 A CB -0.359 18.507 19.000 -0.223 0.000 0.826 127 A HN 0.786 nan 8.150 nan 0.000 0.469 128 G N 0.400 109.041 108.800 -0.264 0.000 2.226 128 G HA2 0.399 4.359 3.960 -0.000 0.000 0.257 128 G HA3 0.399 4.359 3.960 -0.000 0.000 0.257 128 G C -1.979 172.872 174.900 -0.083 0.000 1.732 128 G CA -0.129 44.809 45.100 -0.269 0.000 0.914 128 G HN 0.343 nan 8.290 nan 0.000 0.742 129 D N 1.463 121.850 120.400 -0.021 0.000 2.404 129 D HA 0.551 5.191 4.640 -0.000 0.000 0.267 129 D C 1.154 177.475 176.300 0.034 0.000 1.194 129 D CA 0.399 54.414 54.000 0.025 0.000 0.910 129 D CB 0.579 41.392 40.800 0.022 0.000 1.090 129 D HN 1.712 nan 8.370 nan 0.000 0.511 130 G N 2.503 111.322 108.800 0.031 0.000 2.582 130 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.300 130 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.300 130 G C 1.123 176.047 174.900 0.040 0.000 1.300 130 G CA 0.996 46.115 45.100 0.032 0.000 0.959 130 G HN 0.992 nan 8.290 nan 0.000 0.548 131 S N 0.557 116.282 115.700 0.041 0.000 2.537 131 S HA -0.111 4.359 4.470 -0.000 0.000 0.240 131 S C 1.660 176.291 174.600 0.052 0.000 0.981 131 S CA 1.603 59.830 58.200 0.046 0.000 0.948 131 S CB -0.203 63.035 63.200 0.063 0.000 0.759 131 S HN 0.856 nan 8.310 nan 0.000 0.531 132 N N 1.643 120.375 118.700 0.054 0.000 2.141 132 N HA 0.022 4.762 4.740 -0.000 0.000 0.187 132 N C 0.547 176.108 175.510 0.084 0.000 1.066 132 N CA 0.973 54.060 53.050 0.062 0.000 0.931 132 N CB -0.170 38.344 38.487 0.044 0.000 1.086 132 N HN 0.320 nan 8.380 nan 0.000 0.471 133 Q N -1.067 118.786 119.800 0.088 0.000 2.385 133 Q HA 0.254 4.594 4.340 -0.000 0.000 0.262 133 Q C -0.717 175.399 176.000 0.194 0.000 1.050 133 Q CA -0.374 55.506 55.803 0.129 0.000 0.903 133 Q CB 1.429 30.232 28.738 0.108 0.000 1.325 133 Q HN 0.743 nan 8.270 nan 0.000 0.485 134 H N -0.255 118.872 119.070 0.095 0.000 3.943 134 H HA 0.047 4.603 4.556 -0.000 0.000 0.241 134 H C -1.879 173.530 175.328 0.136 0.000 1.163 134 H CA -0.693 55.427 56.048 0.120 0.000 1.338 134 H CB 0.657 30.495 29.762 0.127 0.000 2.859 134 H HN 0.321 nan 8.280 nan 0.000 0.539 135 P HA -0.240 nan 4.420 nan 0.000 0.216 135 P C 1.688 179.086 177.300 0.162 0.000 1.154 135 P CA 1.734 64.941 63.100 0.178 0.000 0.865 135 P CB 0.116 31.913 31.700 0.162 0.000 0.789 136 T N -0.897 113.799 114.554 0.236 0.000 2.737 136 T HA -0.245 4.105 4.350 -0.000 0.000 0.269 136 T C 2.069 176.812 174.700 0.073 0.000 1.040 136 T CA 2.224 64.440 62.100 0.194 0.000 1.142 136 T CB -0.560 68.530 68.868 0.370 0.000 0.861 136 T HN 0.085 nan 8.240 nan 0.000 0.456 137 Q N 0.312 120.069 119.800 -0.072 0.000 2.079 137 Q HA -0.047 4.293 4.340 -0.000 0.000 0.200 137 Q C 2.294 178.288 176.000 -0.009 0.000 0.974 137 Q CA 2.411 58.101 55.803 -0.189 0.000 0.840 137 Q CB -0.961 27.339 28.738 -0.729 0.000 0.898 137 Q HN 0.503 nan 8.270 nan 0.000 0.430 138 T N 1.431 115.996 114.554 0.019 0.000 2.737 138 T HA -0.072 4.278 4.350 -0.000 0.000 0.265 138 T C 1.739 176.508 174.700 0.115 0.000 1.038 138 T CA 1.212 63.360 62.100 0.080 0.000 1.144 138 T CB -0.331 68.588 68.868 0.085 0.000 0.866 138 T HN 0.204 nan 8.240 nan 0.000 0.434 139 L N 0.919 122.210 121.223 0.113 0.000 1.963 139 L HA -0.195 4.145 4.340 -0.000 0.000 0.220 139 L C 2.586 179.554 176.870 0.163 0.000 1.076 139 L CA 1.874 56.791 54.840 0.128 0.000 0.772 139 L CB -0.892 41.227 42.059 0.100 0.000 0.892 139 L HN 0.362 nan 8.230 nan 0.000 0.435 140 L N -2.704 118.609 121.223 0.151 0.000 2.187 140 L HA -0.177 4.163 4.340 -0.000 0.000 0.213 140 L C 1.949 178.973 176.870 0.258 0.000 1.100 140 L CA 1.769 56.743 54.840 0.224 0.000 0.765 140 L CB -0.958 41.207 42.059 0.176 0.000 0.904 140 L HN 0.157 nan 8.230 nan 0.000 0.437 141 D N 0.589 121.117 120.400 0.214 0.000 2.117 141 D HA -0.108 4.531 4.640 -0.000 0.000 0.198 141 D C 2.350 178.763 176.300 0.189 0.000 0.982 141 D CA 1.671 55.814 54.000 0.239 0.000 0.828 141 D CB -0.079 40.875 40.800 0.256 0.000 0.967 141 D HN 0.449 nan 8.370 nan 0.000 0.464 142 L N -0.333 120.989 121.223 0.164 0.000 2.109 142 L HA -0.089 4.251 4.340 -0.000 0.000 0.207 142 L C 2.376 179.335 176.870 0.149 0.000 1.086 142 L CA 0.550 55.455 54.840 0.108 0.000 0.760 142 L CB -0.320 41.800 42.059 0.101 0.000 0.910 142 L HN -0.021 nan 8.230 nan 0.000 0.437 143 F N 0.424 120.411 119.950 0.062 0.000 2.259 143 F HA -0.192 4.334 4.527 -0.000 0.000 0.298 143 F C 2.351 178.194 175.800 0.071 0.000 1.088 143 F CA 1.389 59.426 58.000 0.062 0.000 1.358 143 F CB 0.022 39.077 39.000 0.092 0.000 1.040 143 F HN -0.060 nan 8.300 nan 0.000 0.505 144 T N 1.014 115.614 114.554 0.076 0.000 2.904 144 T HA -0.099 4.251 4.350 -0.000 0.000 0.267 144 T C 1.890 176.537 174.700 -0.087 0.000 1.059 144 T CA 1.626 63.732 62.100 0.010 0.000 1.137 144 T CB -0.226 68.762 68.868 0.200 0.000 0.879 144 T HN 0.227 nan 8.240 nan 0.000 0.467 145 I N 0.910 121.449 120.570 -0.052 0.000 2.206 145 I HA -0.143 4.027 4.170 -0.000 0.000 0.239 145 I C 2.830 178.848 176.117 -0.165 0.000 1.078 145 I CA 1.129 62.370 61.300 -0.099 0.000 1.367 145 I CB -0.443 37.520 38.000 -0.062 0.000 1.078 145 I HN 0.202 nan 8.210 nan 0.000 0.413 146 Q N 1.228 120.935 119.800 -0.156 0.000 2.096 146 Q HA -0.345 3.995 4.340 -0.000 0.000 0.208 146 Q C 2.121 177.989 176.000 -0.219 0.000 0.993 146 Q CA 2.511 58.215 55.803 -0.164 0.000 0.862 146 Q CB -0.205 28.476 28.738 -0.094 0.000 0.915 146 Q HN 0.556 nan 8.270 nan 0.000 0.416 147 E N -0.756 119.239 120.200 -0.343 0.000 2.106 147 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 147 E C 1.841 178.260 176.600 -0.302 0.000 0.984 147 E CA 1.844 58.014 56.400 -0.384 0.000 0.806 147 E CB -0.007 29.307 29.700 -0.643 0.000 0.750 147 E HN 0.646 nan 8.360 nan 0.000 0.458 148 T N -1.204 113.151 114.554 -0.331 0.000 2.809 148 T HA -0.046 4.304 4.350 -0.000 0.000 0.260 148 T C 1.776 176.298 174.700 -0.296 0.000 1.039 148 T CA 0.512 62.365 62.100 -0.410 0.000 1.141 148 T CB -0.100 68.424 68.868 -0.572 0.000 0.869 148 T HN 0.032 nan 8.240 nan 0.000 0.437 149 Q N 0.947 120.606 119.800 -0.236 0.000 2.424 149 Q HA 0.273 4.613 4.340 -0.000 0.000 0.204 149 Q C 1.988 177.897 176.000 -0.152 0.000 0.933 149 Q CA 0.829 56.523 55.803 -0.182 0.000 0.929 149 Q CB -0.259 28.383 28.738 -0.161 0.000 1.037 149 Q HN 0.821 nan 8.270 nan 0.000 0.511 150 G N 2.174 110.882 108.800 -0.153 0.000 2.184 150 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.264 150 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.264 150 G C 0.166 175.007 174.900 -0.098 0.000 0.975 150 G CA 0.698 45.728 45.100 -0.117 0.000 0.642 150 G HN 0.460 nan 8.290 nan 0.000 0.536 151 R N -1.953 118.478 120.500 -0.115 0.000 2.664 151 R HA 0.700 5.040 4.340 -0.000 0.000 0.266 151 R C 0.065 176.269 176.300 -0.159 0.000 1.046 151 R CA -1.044 54.992 56.100 -0.106 0.000 0.885 151 R CB 0.363 30.611 30.300 -0.087 0.000 1.254 151 R HN 0.079 nan 8.270 nan 0.000 0.465 152 L N 0.124 121.223 121.223 -0.206 0.000 2.638 152 L HA 0.303 4.643 4.340 -0.000 0.000 0.232 152 L C -0.412 176.273 176.870 -0.307 0.000 1.099 152 L CA 0.173 54.763 54.840 -0.415 0.000 0.883 152 L CB 0.368 41.898 42.059 -0.880 0.000 1.136 152 L HN 0.700 nan 8.230 nan 0.000 0.492 153 D N -0.431 119.906 120.400 -0.105 0.000 2.340 153 D HA 0.193 4.833 4.640 -0.000 0.000 0.251 153 D C -0.076 176.190 176.300 -0.056 0.000 1.080 153 D CA -0.399 53.605 54.000 0.008 0.000 0.971 153 D CB 0.474 41.315 40.800 0.069 0.000 1.137 153 D HN -0.102 nan 8.370 nan 0.000 0.475 154 N N -0.063 118.612 118.700 -0.040 0.000 2.666 154 N HA -0.185 4.555 4.740 -0.000 0.000 0.274 154 N C -1.464 173.935 175.510 -0.186 0.000 1.043 154 N CA 0.511 53.503 53.050 -0.096 0.000 0.782 154 N CB -0.796 37.641 38.487 -0.082 0.000 0.912 154 N HN 0.299 nan 8.380 nan 0.000 0.556 155 L N -0.194 120.908 121.223 -0.201 0.000 2.279 155 L HA 0.517 4.857 4.340 -0.000 0.000 0.262 155 L C 0.236 176.983 176.870 -0.205 0.000 1.019 155 L CA -0.891 53.803 54.840 -0.244 0.000 0.823 155 L CB 1.603 43.545 42.059 -0.195 0.000 1.358 155 L HN 0.330 nan 8.230 nan 0.000 0.432 156 H N 0.241 119.255 119.070 -0.093 0.000 2.718 156 H HA 0.451 5.007 4.556 -0.000 0.000 0.295 156 H C -1.204 174.097 175.328 -0.044 0.000 1.051 156 H CA -0.666 55.383 56.048 0.002 0.000 1.260 156 H CB 1.604 31.380 29.762 0.025 0.000 1.403 156 H HN 0.106 nan 8.280 nan 0.000 0.488 157 V N 2.950 122.880 119.914 0.028 0.000 2.384 157 V HA 0.480 4.600 4.120 -0.000 0.000 0.287 157 V C 0.011 176.201 176.094 0.159 0.000 1.020 157 V CA -0.709 61.594 62.300 0.006 0.000 0.850 157 V CB 1.317 33.048 31.823 -0.153 0.000 0.987 157 V HN 0.822 nan 8.190 nan 0.000 0.436 158 A N 7.268 130.172 122.820 0.141 0.000 2.276 158 A HA 0.859 5.179 4.320 -0.000 0.000 0.316 158 A C -0.267 177.436 177.584 0.199 0.000 1.229 158 A CA -0.497 51.634 52.037 0.158 0.000 0.851 158 A CB 0.543 19.547 19.000 0.006 0.000 1.165 158 A HN 0.801 nan 8.150 nan 0.000 0.513 159 M N 4.036 123.798 119.600 0.269 0.000 2.046 159 M HA 0.353 4.833 4.480 -0.000 0.000 0.309 159 M C -1.140 175.263 176.300 0.172 0.000 0.935 159 M CA -0.442 55.019 55.300 0.268 0.000 0.915 159 M CB 1.366 34.174 32.600 0.347 0.000 1.474 159 M HN 0.324 nan 8.290 nan 0.000 0.415 160 V N 2.242 122.207 119.914 0.085 0.000 2.547 160 V HA 0.979 5.099 4.120 -0.000 0.000 0.299 160 V C 0.625 176.679 176.094 -0.067 0.000 1.040 160 V CA 0.137 62.409 62.300 -0.047 0.000 0.913 160 V CB 1.497 33.291 31.823 -0.048 0.000 0.992 160 V HN 1.127 nan 8.190 nan 0.000 0.449 161 G N 3.675 112.372 108.800 -0.171 0.000 2.317 161 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.196 161 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.196 161 G C -0.799 174.080 174.900 -0.034 0.000 1.255 161 G CA -0.043 45.018 45.100 -0.066 0.000 1.243 161 G HN 0.746 nan 8.290 nan 0.000 0.535 162 D N 1.702 122.127 120.400 0.042 0.000 2.453 162 D HA 0.478 5.117 4.640 -0.000 0.000 0.223 162 D C 1.769 178.090 176.300 0.034 0.000 1.183 162 D CA -0.257 53.788 54.000 0.076 0.000 0.933 162 D CB 0.137 41.024 40.800 0.145 0.000 1.038 162 D HN 0.382 nan 8.370 nan 0.000 0.513 163 L N 2.905 124.110 121.223 -0.030 0.000 2.131 163 L HA -0.006 4.334 4.340 -0.000 0.000 0.206 163 L C 2.396 179.251 176.870 -0.024 0.000 1.087 163 L CA 0.519 55.315 54.840 -0.074 0.000 0.767 163 L CB -0.147 41.789 42.059 -0.206 0.000 0.917 163 L HN 0.308 nan 8.230 nan 0.000 0.441 164 K N 0.100 120.430 120.400 -0.117 0.000 2.025 164 K HA -0.165 4.155 4.320 -0.000 0.000 0.207 164 K C 1.583 178.056 176.600 -0.212 0.000 1.049 164 K CA 1.600 57.744 56.287 -0.238 0.000 0.933 164 K CB -0.015 32.145 32.500 -0.566 0.000 0.714 164 K HN 0.179 nan 8.250 nan 0.000 0.438 165 Y N -0.287 120.025 120.300 0.019 0.000 2.457 165 Y HA 0.278 4.828 4.550 -0.000 0.000 0.263 165 Y C 0.795 176.612 175.900 -0.139 0.000 1.164 165 Y CA -0.214 57.856 58.100 -0.049 0.000 1.274 165 Y CB 0.589 39.047 38.460 -0.003 0.000 1.097 165 Y HN -0.000 nan 8.280 nan 0.000 0.523 166 G N 1.134 109.901 108.800 -0.054 0.000 2.394 166 G HA2 0.127 4.087 3.960 -0.000 0.000 0.298 166 G HA3 0.127 4.087 3.960 -0.000 0.000 0.298 166 G C 1.038 175.753 174.900 -0.307 0.000 1.087 166 G CA -0.493 44.560 45.100 -0.079 0.000 1.035 166 G HN 0.348 nan 8.290 nan 0.000 0.420 167 R N 1.689 122.077 120.500 -0.187 0.000 2.120 167 R HA -0.136 4.204 4.340 -0.000 0.000 0.234 167 R C 2.558 178.850 176.300 -0.013 0.000 1.123 167 R CA 2.121 58.133 56.100 -0.148 0.000 0.975 167 R CB -0.368 29.937 30.300 0.009 0.000 0.866 167 R HN 0.588 nan 8.270 nan 0.000 0.446 168 T N -1.097 113.488 114.554 0.051 0.000 2.708 168 T HA -0.115 4.235 4.350 -0.000 0.000 0.266 168 T C 2.014 176.719 174.700 0.008 0.000 1.037 168 T CA 1.643 63.793 62.100 0.082 0.000 1.146 168 T CB -0.813 68.158 68.868 0.171 0.000 0.865 168 T HN 0.181 nan 8.240 nan 0.000 0.435 169 V N -0.095 119.815 119.914 -0.007 0.000 2.515 169 V HA -0.121 3.999 4.120 -0.000 0.000 0.250 169 V C 2.519 178.624 176.094 0.017 0.000 1.058 169 V CA 1.724 63.973 62.300 -0.085 0.000 1.064 169 V CB -1.585 30.212 31.823 -0.043 0.000 0.675 169 V HN 0.623 nan 8.190 nan 0.000 0.461 170 H N 0.403 119.406 119.070 -0.113 0.000 2.387 170 H HA -0.110 4.445 4.556 -0.000 0.000 0.299 170 H C 2.687 177.983 175.328 -0.054 0.000 1.099 170 H CA 1.457 57.436 56.048 -0.116 0.000 1.315 170 H CB 0.085 29.815 29.762 -0.053 0.000 1.380 170 H HN 0.481 nan 8.280 nan 0.000 0.513 171 S N 0.566 116.340 115.700 0.122 0.000 2.345 171 S HA -0.108 4.362 4.470 -0.000 0.000 0.219 171 S C 2.161 176.793 174.600 0.054 0.000 1.031 171 S CA 0.554 58.808 58.200 0.090 0.000 0.984 171 S CB -0.270 62.988 63.200 0.096 0.000 0.874 171 S HN 0.131 nan 8.310 nan 0.000 0.451 172 L N 1.727 122.946 121.223 -0.007 0.000 2.051 172 L HA -0.177 4.163 4.340 -0.000 0.000 0.214 172 L C 2.332 179.239 176.870 0.062 0.000 1.076 172 L CA 1.946 56.770 54.840 -0.026 0.000 0.758 172 L CB -1.256 40.665 42.059 -0.231 0.000 0.890 172 L HN 0.297 nan 8.230 nan 0.000 0.433 173 T N -1.097 113.481 114.554 0.039 0.000 2.746 173 T HA -0.240 4.110 4.350 -0.000 0.000 0.267 173 T C 1.766 176.497 174.700 0.052 0.000 1.039 173 T CA 1.761 63.891 62.100 0.050 0.000 1.142 173 T CB -0.242 68.519 68.868 -0.179 0.000 0.866 173 T HN 0.511 nan 8.240 nan 0.000 0.444 174 Q N 0.625 120.447 119.800 0.036 0.000 2.167 174 Q HA 0.070 4.409 4.340 -0.000 0.000 0.202 174 Q C 2.682 178.760 176.000 0.131 0.000 0.970 174 Q CA 1.233 57.074 55.803 0.064 0.000 0.855 174 Q CB -0.287 28.488 28.738 0.062 0.000 0.911 174 Q HN 0.564 nan 8.270 nan 0.000 0.438 175 A N 1.135 124.054 122.820 0.166 0.000 1.854 175 A HA -0.097 4.223 4.320 -0.000 0.000 0.214 175 A C 2.067 179.874 177.584 0.372 0.000 1.192 175 A CA 0.845 53.028 52.037 0.244 0.000 0.611 175 A CB -0.691 18.436 19.000 0.210 0.000 0.832 175 A HN 0.266 nan 8.150 nan 0.000 0.442 176 L N -0.464 120.942 121.223 0.304 0.000 2.187 176 L HA -0.196 4.144 4.340 -0.000 0.000 0.213 176 L C 2.703 179.842 176.870 0.448 0.000 1.100 176 L CA 0.918 55.964 54.840 0.344 0.000 0.765 176 L CB -0.514 41.736 42.059 0.318 0.000 0.904 176 L HN 0.453 nan 8.230 nan 0.000 0.437 177 A N -0.283 122.751 122.820 0.355 0.000 2.255 177 A HA -0.086 4.234 4.320 -0.000 0.000 0.206 177 A C 1.884 179.590 177.584 0.203 0.000 1.193 177 A CA 0.798 52.997 52.037 0.270 0.000 0.794 177 A CB -0.291 18.785 19.000 0.127 0.000 0.794 177 A HN 0.360 nan 8.150 nan 0.000 0.481 178 K N -1.387 119.152 120.400 0.231 0.000 2.358 178 K HA 0.287 4.607 4.320 -0.000 0.000 0.200 178 K C -0.953 175.548 176.600 -0.166 0.000 1.030 178 K CA -0.017 56.262 56.287 -0.013 0.000 1.097 178 K CB 0.429 32.834 32.500 -0.159 0.000 0.862 178 K HN 0.448 nan 8.250 nan 0.000 0.534 179 F N 1.453 121.450 119.950 0.078 0.000 2.495 179 F HA 0.220 4.747 4.527 -0.000 0.000 0.327 179 F C 0.064 175.899 175.800 0.057 0.000 1.103 179 F CA -1.531 56.504 58.000 0.058 0.000 0.949 179 F CB 1.079 40.109 39.000 0.049 0.000 1.142 179 F HN -0.154 nan 8.300 nan 0.000 0.457 180 D N 1.580 122.104 120.400 0.206 0.000 2.533 180 D HA 0.261 4.901 4.640 -0.000 0.000 0.236 180 D C 0.932 177.294 176.300 0.103 0.000 1.137 180 D CA 1.235 55.311 54.000 0.127 0.000 0.867 180 D CB 0.424 41.274 40.800 0.084 0.000 1.170 180 D HN 0.898 nan 8.370 nan 0.000 0.474 181 G N 2.192 111.047 108.800 0.092 0.000 2.338 181 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.296 181 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.296 181 G C -0.063 174.858 174.900 0.034 0.000 1.040 181 G CA -0.346 44.793 45.100 0.065 0.000 1.004 181 G HN 0.494 nan 8.290 nan 0.000 0.509 182 N N -0.260 118.477 118.700 0.061 0.000 2.498 182 N HA 0.570 5.310 4.740 -0.000 0.000 0.287 182 N C 0.347 175.811 175.510 -0.076 0.000 1.097 182 N CA -0.346 52.648 53.050 -0.093 0.000 0.973 182 N CB 1.369 39.770 38.487 -0.143 0.000 1.153 182 N HN 0.569 nan 8.380 nan 0.000 0.472 183 R N 1.307 121.687 120.500 -0.199 0.000 2.670 183 R HA 0.504 4.844 4.340 -0.000 0.000 0.289 183 R C -1.326 174.778 176.300 -0.326 0.000 0.965 183 R CA -0.455 55.608 56.100 -0.062 0.000 0.899 183 R CB 0.801 31.143 30.300 0.070 0.000 1.173 183 R HN 0.325 nan 8.270 nan 0.000 0.456 184 F N 3.010 122.807 119.950 -0.256 0.000 2.532 184 F HA 0.434 4.961 4.527 -0.000 0.000 0.321 184 F C -0.926 174.394 175.800 -0.800 0.000 1.089 184 F CA -0.701 57.044 58.000 -0.426 0.000 0.926 184 F CB 1.491 40.163 39.000 -0.547 0.000 1.168 184 F HN 0.363 nan 8.300 nan 0.000 0.459 185 Y N 2.586 122.731 120.300 -0.258 0.000 2.345 185 Y HA 0.494 5.044 4.550 -0.000 0.000 0.331 185 Y C -0.996 174.821 175.900 -0.139 0.000 0.959 185 Y CA -1.229 56.783 58.100 -0.146 0.000 1.204 185 Y CB 0.750 39.192 38.460 -0.029 0.000 1.135 185 Y HN 0.301 nan 8.280 nan 0.000 0.477 186 F N 4.531 124.638 119.950 0.262 0.000 2.371 186 F HA 0.460 4.987 4.527 -0.000 0.000 0.363 186 F C -0.212 175.632 175.800 0.073 0.000 1.122 186 F CA -1.609 56.451 58.000 0.100 0.000 1.129 186 F CB 0.456 39.444 39.000 -0.020 0.000 1.173 186 F HN 0.284 nan 8.300 nan 0.000 0.489 187 I N 3.779 124.439 120.570 0.150 0.000 2.460 187 I HA 0.618 4.787 4.170 -0.000 0.000 0.277 187 I C -0.208 175.671 176.117 -0.397 0.000 1.057 187 I CA -0.053 61.218 61.300 -0.047 0.000 1.179 187 I CB 0.676 38.642 38.000 -0.057 0.000 1.329 187 I HN 0.647 nan 8.210 nan 0.000 0.478 188 A N 7.259 129.887 122.820 -0.321 0.000 2.539 188 A HA 0.917 5.237 4.320 -0.000 0.000 0.296 188 A C -2.852 174.696 177.584 -0.060 0.000 1.073 188 A CA -1.485 50.308 52.037 -0.407 0.000 0.700 188 A CB 1.557 20.453 19.000 -0.175 0.000 1.296 188 A HN 0.307 nan 8.150 nan 0.000 0.405 189 P HA 0.122 nan 4.420 nan 0.000 0.269 189 P C -0.348 177.058 177.300 0.177 0.000 1.215 189 P CA 0.267 63.615 63.100 0.415 0.000 0.780 189 P CB 0.606 32.581 31.700 0.458 0.000 0.898 190 D N 2.229 122.718 120.400 0.147 0.000 2.157 190 D HA -0.231 4.409 4.640 -0.000 0.000 0.191 190 D C 1.983 178.323 176.300 0.066 0.000 1.004 190 D CA 2.579 56.632 54.000 0.088 0.000 0.854 190 D CB -0.630 40.216 40.800 0.076 0.000 0.936 190 D HN 0.490 nan 8.370 nan 0.000 0.446 191 A N -0.315 122.558 122.820 0.089 0.000 2.119 191 A HA 0.077 4.397 4.320 -0.000 0.000 0.217 191 A C 1.387 179.015 177.584 0.074 0.000 1.153 191 A CA 0.558 52.647 52.037 0.087 0.000 0.692 191 A CB -0.144 18.927 19.000 0.118 0.000 0.799 191 A HN 0.237 nan 8.150 nan 0.000 0.458 192 L N 0.190 121.453 121.223 0.067 0.000 3.141 192 L HA 0.401 4.741 4.340 -0.000 0.000 0.263 192 L C 0.466 177.294 176.870 -0.071 0.000 1.312 192 L CA -0.508 54.345 54.840 0.021 0.000 1.012 192 L CB 0.420 42.537 42.059 0.097 0.000 1.408 192 L HN 0.249 nan 8.230 nan 0.000 0.559 193 A N 0.822 123.580 122.820 -0.104 0.000 2.409 193 A HA 0.370 4.690 4.320 -0.000 0.000 0.262 193 A C 0.329 177.748 177.584 -0.275 0.000 1.113 193 A CA -0.514 51.428 52.037 -0.158 0.000 0.790 193 A CB 0.295 19.230 19.000 -0.109 0.000 1.046 193 A HN 0.408 nan 8.150 nan 0.000 0.496 194 M N 6.165 125.532 119.600 -0.387 0.000 2.603 194 M HA 0.054 4.534 4.480 -0.000 0.000 0.399 194 M C -1.820 174.117 176.300 -0.605 0.000 1.745 194 M CA -1.546 53.384 55.300 -0.617 0.000 1.055 194 M CB -0.480 31.520 32.600 -1.000 0.000 2.144 194 M HN 0.469 nan 8.290 nan 0.000 0.483 195 P HA -0.159 nan 4.420 nan 0.000 0.260 195 P C 0.114 177.048 177.300 -0.609 0.000 1.172 195 P CA 0.376 63.156 63.100 -0.533 0.000 0.760 195 P CB 0.454 31.840 31.700 -0.524 0.000 0.773 196 Q N 3.441 123.043 119.800 -0.331 0.000 2.142 196 Q HA -0.262 4.078 4.340 -0.000 0.000 0.213 196 Q C 1.900 177.784 176.000 -0.194 0.000 1.004 196 Q CA 2.428 58.097 55.803 -0.224 0.000 0.883 196 Q CB -0.554 28.141 28.738 -0.072 0.000 0.939 196 Q HN 0.657 nan 8.270 nan 0.000 0.413 197 Y N -0.662 119.543 120.300 -0.158 0.000 2.069 197 Y HA -0.287 4.263 4.550 -0.000 0.000 0.278 197 Y C 2.031 177.824 175.900 -0.178 0.000 1.175 197 Y CA 1.206 59.226 58.100 -0.134 0.000 1.134 197 Y CB -0.920 37.475 38.460 -0.108 0.000 0.965 197 Y HN 0.054 nan 8.280 nan 0.000 0.498 198 I N 0.999 121.245 120.570 -0.540 0.000 2.127 198 I HA -0.283 3.887 4.170 -0.000 0.000 0.241 198 I C 2.616 178.466 176.117 -0.446 0.000 1.075 198 I CA 1.538 62.528 61.300 -0.517 0.000 1.334 198 I CB -1.255 36.236 38.000 -0.849 0.000 1.040 198 I HN 0.428 nan 8.210 nan 0.000 0.405 199 L N 0.158 121.055 121.223 -0.542 0.000 2.081 199 L HA -0.269 4.070 4.340 -0.000 0.000 0.212 199 L C 2.250 179.072 176.870 -0.079 0.000 1.080 199 L CA 1.426 55.962 54.840 -0.507 0.000 0.754 199 L CB -0.684 41.076 42.059 -0.499 0.000 0.893 199 L HN 0.252 nan 8.230 nan 0.000 0.433 200 D N -0.435 119.940 120.400 -0.041 0.000 2.084 200 D HA -0.215 4.425 4.640 -0.000 0.000 0.196 200 D C 2.145 178.476 176.300 0.052 0.000 0.985 200 D CA 1.052 55.084 54.000 0.054 0.000 0.826 200 D CB -0.186 40.642 40.800 0.045 0.000 0.978 200 D HN 0.147 nan 8.370 nan 0.000 0.456 201 M N 0.662 120.264 119.600 0.004 0.000 2.106 201 M HA -0.176 4.304 4.480 -0.000 0.000 0.259 201 M C 2.019 178.327 176.300 0.014 0.000 1.068 201 M CA 1.253 56.556 55.300 0.005 0.000 1.100 201 M CB -0.576 32.016 32.600 -0.013 0.000 1.351 201 M HN 0.016 nan 8.290 nan 0.000 0.404 202 L N -0.024 121.189 121.223 -0.017 0.000 1.948 202 L HA -0.284 4.056 4.340 -0.000 0.000 0.212 202 L C 2.216 179.204 176.870 0.197 0.000 1.074 202 L CA 1.733 56.609 54.840 0.061 0.000 0.753 202 L CB -1.428 40.637 42.059 0.010 0.000 0.888 202 L HN 0.245 nan 8.230 nan 0.000 0.432 203 D N -0.007 120.587 120.400 0.325 0.000 2.200 203 D HA -0.302 4.338 4.640 -0.000 0.000 0.192 203 D C 1.963 178.325 176.300 0.103 0.000 1.008 203 D CA 1.880 56.007 54.000 0.212 0.000 0.872 203 D CB -0.269 40.651 40.800 0.200 0.000 0.923 203 D HN 0.483 nan 8.370 nan 0.000 0.447 204 E N 0.798 121.051 120.200 0.090 0.000 2.153 204 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 204 E C 0.574 177.205 176.600 0.052 0.000 0.988 204 E CA 0.904 57.339 56.400 0.057 0.000 0.811 204 E CB 0.104 29.833 29.700 0.048 0.000 0.746 204 E HN 0.180 nan 8.360 nan 0.000 0.466 205 K N -0.273 120.166 120.400 0.065 0.000 2.675 205 K HA 0.229 4.549 4.320 -0.000 0.000 0.213 205 K C 0.388 177.031 176.600 0.073 0.000 1.074 205 K CA 0.359 56.683 56.287 0.062 0.000 1.172 205 K CB 0.765 33.304 32.500 0.064 0.000 0.927 205 K HN 0.229 nan 8.250 nan 0.000 0.471 206 G N 1.792 110.631 108.800 0.064 0.000 2.321 206 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.287 206 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.287 206 G C -0.014 174.936 174.900 0.084 0.000 1.018 206 G CA 0.146 45.280 45.100 0.056 0.000 0.855 206 G HN 0.415 nan 8.290 nan 0.000 0.507 207 I N 0.604 121.255 120.570 0.134 0.000 2.321 207 I HA 0.562 4.732 4.170 -0.000 0.000 0.291 207 I C 0.899 177.158 176.117 0.238 0.000 0.998 207 I CA -0.729 60.696 61.300 0.209 0.000 1.227 207 I CB 1.702 39.873 38.000 0.283 0.000 1.368 207 I HN 0.236 nan 8.210 nan 0.000 0.466 208 A N 8.819 131.742 122.820 0.173 0.000 2.492 208 A HA 0.386 4.706 4.320 -0.000 0.000 0.254 208 A C -0.562 177.155 177.584 0.221 0.000 1.091 208 A CA -0.056 52.021 52.037 0.066 0.000 0.768 208 A CB 0.105 19.105 19.000 -0.000 0.000 1.028 208 A HN 0.883 nan 8.150 nan 0.000 0.498 209 W N 0.998 122.235 121.300 -0.104 0.000 3.213 209 W HA 0.672 5.332 4.660 -0.000 0.000 0.318 209 W C -0.924 175.436 176.519 -0.266 0.000 1.248 209 W CA -0.380 56.815 57.345 -0.249 0.000 1.187 209 W CB 0.936 30.280 29.460 -0.194 0.000 1.403 209 W HN 1.048 nan 8.180 nan 0.000 0.556 210 S N 1.170 116.905 115.700 0.058 0.000 2.570 210 S HA 0.748 5.218 4.470 -0.000 0.000 0.270 210 S C -1.301 173.373 174.600 0.123 0.000 1.149 210 S CA -1.091 57.106 58.200 -0.004 0.000 0.837 210 S CB 2.118 65.201 63.200 -0.196 0.000 1.124 210 S HN 0.523 nan 8.310 nan 0.000 0.465 211 L N 2.650 123.909 121.223 0.059 0.000 2.295 211 L HA 0.613 4.953 4.340 -0.000 0.000 0.285 211 L C -0.141 176.670 176.870 -0.098 0.000 1.035 211 L CA -0.630 54.281 54.840 0.119 0.000 0.806 211 L CB 0.888 43.046 42.059 0.166 0.000 1.214 211 L HN 0.691 nan 8.230 nan 0.000 0.426 212 H N 0.750 119.914 119.070 0.156 0.000 2.797 212 H HA 0.320 4.876 4.556 -0.000 0.000 0.372 212 H C 0.057 175.470 175.328 0.143 0.000 1.168 212 H CA -0.620 55.509 56.048 0.136 0.000 1.163 212 H CB 2.426 32.271 29.762 0.138 0.000 1.778 212 H HN 0.558 nan 8.280 nan 0.000 0.551 213 S N 0.574 116.442 115.700 0.279 0.000 2.439 213 S HA 0.002 4.472 4.470 -0.000 0.000 0.224 213 S C 0.711 175.503 174.600 0.320 0.000 1.029 213 S CA 0.251 58.604 58.200 0.255 0.000 0.946 213 S CB 0.264 63.566 63.200 0.170 0.000 0.797 213 S HN 0.660 nan 8.310 nan 0.000 0.504 214 S N -0.290 115.564 115.700 0.256 0.000 2.546 214 S HA 0.567 5.037 4.470 -0.000 0.000 0.274 214 S C 0.496 175.172 174.600 0.127 0.000 1.121 214 S CA -0.830 57.506 58.200 0.227 0.000 0.887 214 S CB 0.781 64.061 63.200 0.134 0.000 1.094 214 S HN 0.097 nan 8.310 nan 0.000 0.474 215 I N 1.477 122.115 120.570 0.113 0.000 2.423 215 I HA -0.183 3.986 4.170 -0.000 0.000 0.254 215 I C 2.797 178.885 176.117 -0.049 0.000 1.151 215 I CA 1.661 62.968 61.300 0.011 0.000 1.421 215 I CB -0.271 37.746 38.000 0.028 0.000 1.079 215 I HN 0.936 nan 8.210 nan 0.000 0.431 216 E N 1.792 121.985 120.200 -0.011 0.000 2.097 216 E HA -0.289 4.061 4.350 -0.000 0.000 0.196 216 E C 1.837 178.397 176.600 -0.067 0.000 1.000 216 E CA 1.659 58.040 56.400 -0.031 0.000 0.804 216 E CB -0.088 29.610 29.700 -0.003 0.000 0.740 216 E HN 0.568 nan 8.360 nan 0.000 0.454 217 E N -0.165 119.996 120.200 -0.066 0.000 2.130 217 E HA -0.191 4.159 4.350 -0.000 0.000 0.196 217 E C 2.040 178.505 176.600 -0.226 0.000 0.998 217 E CA 1.932 58.273 56.400 -0.098 0.000 0.806 217 E CB 0.027 29.705 29.700 -0.037 0.000 0.738 217 E HN 0.378 nan 8.360 nan 0.000 0.459 218 V N -2.132 117.575 119.914 -0.345 0.000 3.528 218 V HA 0.103 4.223 4.120 -0.000 0.000 0.294 218 V C 1.722 177.599 176.094 -0.361 0.000 1.404 218 V CA -0.078 61.945 62.300 -0.461 0.000 1.065 218 V CB 0.329 31.644 31.823 -0.847 0.000 0.904 218 V HN 0.021 nan 8.190 nan 0.000 0.435 219 M N 2.874 122.335 119.600 -0.232 0.000 2.128 219 M HA -0.230 4.250 4.480 -0.000 0.000 0.253 219 M C 2.090 178.285 176.300 -0.176 0.000 1.079 219 M CA 2.452 57.643 55.300 -0.181 0.000 1.082 219 M CB -0.880 31.651 32.600 -0.115 0.000 1.335 219 M HN 0.481 nan 8.290 nan 0.000 0.401 220 A N -0.313 122.414 122.820 -0.156 0.000 1.849 220 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 220 A C 1.873 179.379 177.584 -0.131 0.000 1.202 220 A CA 2.053 54.018 52.037 -0.120 0.000 0.629 220 A CB -0.902 18.040 19.000 -0.097 0.000 0.834 220 A HN 0.605 nan 8.150 nan 0.000 0.447 221 E N -0.097 119.978 120.200 -0.208 0.000 2.511 221 E HA 0.097 4.447 4.350 -0.000 0.000 0.196 221 E C 0.200 176.698 176.600 -0.170 0.000 1.066 221 E CA -0.049 56.227 56.400 -0.207 0.000 0.871 221 E CB -0.523 28.938 29.700 -0.398 0.000 0.863 221 E HN 0.317 nan 8.360 nan 0.000 0.520 222 V N 2.631 122.407 119.914 -0.230 0.000 2.686 222 V HA -0.020 4.100 4.120 -0.000 0.000 0.295 222 V C 0.958 177.019 176.094 -0.055 0.000 1.055 222 V CA 0.303 62.499 62.300 -0.172 0.000 1.050 222 V CB 1.313 32.991 31.823 -0.241 0.000 0.984 222 V HN 0.035 nan 8.190 nan 0.000 0.482 223 D N 2.325 122.716 120.400 -0.015 0.000 2.716 223 D HA 0.244 4.884 4.640 -0.000 0.000 0.273 223 D C 0.083 176.359 176.300 -0.041 0.000 1.024 223 D CA 0.626 54.605 54.000 -0.035 0.000 0.944 223 D CB 0.734 41.501 40.800 -0.055 0.000 1.186 223 D HN 0.228 nan 8.370 nan 0.000 0.485 224 I N 1.892 122.451 120.570 -0.019 0.000 2.466 224 I HA 0.214 4.384 4.170 -0.000 0.000 0.289 224 I C -0.896 175.249 176.117 0.047 0.000 1.026 224 I CA -0.749 60.560 61.300 0.016 0.000 1.078 224 I CB 2.419 40.439 38.000 0.033 0.000 1.249 224 I HN -0.117 nan 8.210 nan 0.000 0.429 225 L N 8.654 129.910 121.223 0.055 0.000 2.335 225 L HA 0.349 4.688 4.340 -0.000 0.000 0.268 225 L C -1.114 175.826 176.870 0.116 0.000 1.037 225 L CA -0.473 54.404 54.840 0.062 0.000 0.895 225 L CB 0.292 42.355 42.059 0.006 0.000 1.266 225 L HN 0.364 nan 8.230 nan 0.000 0.439 226 Y N 5.319 125.640 120.300 0.035 0.000 2.504 226 Y HA 0.458 5.008 4.550 -0.000 0.000 0.351 226 Y C -0.066 175.821 175.900 -0.021 0.000 0.988 226 Y CA -0.191 57.926 58.100 0.028 0.000 1.239 226 Y CB 0.458 38.950 38.460 0.055 0.000 1.128 226 Y HN 0.506 nan 8.280 nan 0.000 0.525 227 M N 5.339 124.873 119.600 -0.111 0.000 2.423 227 M HA 0.405 4.885 4.480 -0.000 0.000 0.335 227 M C 0.067 176.102 176.300 -0.443 0.000 1.177 227 M CA -0.607 54.599 55.300 -0.157 0.000 1.038 227 M CB 1.736 34.270 32.600 -0.110 0.000 1.641 227 M HN 0.623 nan 8.290 nan 0.000 0.455 228 T N -0.743 113.648 114.554 -0.271 0.000 2.910 228 T HA 0.619 4.968 4.350 -0.000 0.000 0.287 228 T C -0.614 174.010 174.700 -0.126 0.000 1.050 228 T CA -1.117 60.806 62.100 -0.294 0.000 1.011 228 T CB 2.217 71.071 68.868 -0.023 0.000 1.195 228 T HN 0.750 nan 8.240 nan 0.000 0.540 229 R N 0.788 121.307 120.500 0.033 0.000 2.255 229 R HA 0.577 4.917 4.340 -0.000 0.000 0.326 229 R C -1.190 175.207 176.300 0.162 0.000 0.986 229 R CA -0.657 55.551 56.100 0.179 0.000 0.847 229 R CB 0.917 31.366 30.300 0.249 0.000 1.111 229 R HN 0.572 nan 8.270 nan 0.000 0.452 230 V N 5.812 125.848 119.914 0.204 0.000 2.405 230 V HA 0.058 4.178 4.120 -0.000 0.000 0.264 230 V C -0.262 175.970 176.094 0.231 0.000 1.048 230 V CA -0.425 62.019 62.300 0.239 0.000 0.966 230 V CB 1.043 33.057 31.823 0.318 0.000 1.015 230 V HN 0.779 nan 8.190 nan 0.000 0.477 231 Q N 5.465 125.349 119.800 0.139 0.000 2.286 231 Q HA 0.133 4.473 4.340 -0.000 0.000 0.265 231 Q C 1.429 177.435 176.000 0.009 0.000 1.080 231 Q CA -0.308 55.524 55.803 0.049 0.000 0.906 231 Q CB 0.297 29.047 28.738 0.019 0.000 1.227 231 Q HN 0.688 nan 8.270 nan 0.000 0.409 232 K N 2.064 122.361 120.400 -0.172 0.000 2.228 232 K HA -0.295 4.025 4.320 -0.000 0.000 0.205 232 K C 0.400 176.911 176.600 -0.150 0.000 1.045 232 K CA 1.690 57.730 56.287 -0.412 0.000 0.931 232 K CB 0.036 31.912 32.500 -1.040 0.000 0.727 232 K HN 0.434 nan 8.250 nan 0.000 0.458 233 E N 0.971 121.106 120.200 -0.107 0.000 2.160 233 E HA -0.098 4.251 4.350 -0.000 0.000 0.195 233 E C 1.753 178.335 176.600 -0.031 0.000 0.991 233 E CA 0.918 57.279 56.400 -0.066 0.000 0.810 233 E CB -0.091 29.569 29.700 -0.067 0.000 0.742 233 E HN 0.246 nan 8.360 nan 0.000 0.466 234 R N 0.031 120.523 120.500 -0.013 0.000 2.369 234 R HA 0.087 4.427 4.340 -0.000 0.000 0.200 234 R C 0.072 176.420 176.300 0.080 0.000 1.046 234 R CA 0.397 56.500 56.100 0.004 0.000 1.057 234 R CB -0.639 29.675 30.300 0.024 0.000 0.888 234 R HN 0.208 nan 8.270 nan 0.000 0.474 235 L N -1.210 120.063 121.223 0.083 0.000 2.469 235 L HA 0.317 4.657 4.340 -0.000 0.000 0.256 235 L C -0.537 176.379 176.870 0.077 0.000 1.006 235 L CA -1.175 53.735 54.840 0.117 0.000 0.832 235 L CB 2.232 44.418 42.059 0.211 0.000 1.421 235 L HN -0.202 nan 8.230 nan 0.000 0.410 236 D N 0.908 121.354 120.400 0.077 0.000 2.372 236 D HA 0.168 4.808 4.640 -0.000 0.000 0.243 236 D C -1.777 174.565 176.300 0.071 0.000 1.121 236 D CA -1.099 52.932 54.000 0.053 0.000 0.898 236 D CB 1.460 42.290 40.800 0.049 0.000 1.202 236 D HN 0.203 nan 8.370 nan 0.000 0.428 237 P HA -0.109 nan 4.420 nan 0.000 0.226 237 P C 0.297 177.657 177.300 0.101 0.000 1.146 237 P CA 0.914 64.037 63.100 0.038 0.000 0.773 237 P CB 0.199 31.897 31.700 -0.004 0.000 0.772 238 S N -1.486 114.267 115.700 0.087 0.000 2.468 238 S HA -0.016 4.454 4.470 -0.000 0.000 0.226 238 S C 1.979 176.633 174.600 0.089 0.000 1.051 238 S CA 0.014 58.261 58.200 0.079 0.000 0.943 238 S CB -0.803 62.426 63.200 0.049 0.000 0.810 238 S HN 0.175 nan 8.310 nan 0.000 0.509 239 E N 0.957 121.214 120.200 0.095 0.000 2.085 239 E HA -0.253 4.097 4.350 -0.000 0.000 0.194 239 E C 1.833 178.497 176.600 0.107 0.000 0.994 239 E CA 1.140 57.592 56.400 0.087 0.000 0.801 239 E CB -0.420 29.334 29.700 0.091 0.000 0.743 239 E HN 0.647 nan 8.360 nan 0.000 0.453 240 Y N 0.840 121.153 120.300 0.023 0.000 2.069 240 Y HA -0.326 4.224 4.550 -0.000 0.000 0.278 240 Y C 2.279 178.185 175.900 0.010 0.000 1.175 240 Y CA 2.378 60.494 58.100 0.026 0.000 1.134 240 Y CB -0.518 37.959 38.460 0.029 0.000 0.965 240 Y HN 0.183 nan 8.280 nan 0.000 0.498 241 A N 0.323 123.184 122.820 0.068 0.000 2.024 241 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 241 A C 2.035 179.554 177.584 -0.107 0.000 1.164 241 A CA 1.796 53.808 52.037 -0.042 0.000 0.643 241 A CB -0.732 18.298 19.000 0.051 0.000 0.806 241 A HN 0.659 nan 8.150 nan 0.000 0.451 242 N N -0.441 118.209 118.700 -0.082 0.000 2.135 242 N HA -0.102 4.638 4.740 -0.000 0.000 0.186 242 N C 1.702 177.114 175.510 -0.162 0.000 1.027 242 N CA 1.671 54.665 53.050 -0.093 0.000 0.849 242 N CB -0.185 38.271 38.487 -0.051 0.000 1.002 242 N HN 0.315 nan 8.380 nan 0.000 0.425 243 V N 1.640 121.432 119.914 -0.204 0.000 2.992 243 V HA -0.039 4.081 4.120 -0.000 0.000 0.250 243 V C 2.339 178.144 176.094 -0.482 0.000 1.090 243 V CA 0.799 62.899 62.300 -0.332 0.000 1.101 243 V CB -0.228 31.454 31.823 -0.234 0.000 0.743 243 V HN 0.196 nan 8.190 nan 0.000 0.468 244 K N 1.153 121.304 120.400 -0.415 0.000 2.013 244 K HA -0.294 4.026 4.320 -0.000 0.000 0.225 244 K C 1.956 178.361 176.600 -0.326 0.000 1.056 244 K CA 2.578 58.588 56.287 -0.462 0.000 0.971 244 K CB -0.726 31.400 32.500 -0.623 0.000 0.731 244 K HN 0.492 nan 8.250 nan 0.000 0.450 245 A N 0.777 123.439 122.820 -0.262 0.000 2.194 245 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 245 A C 1.908 179.371 177.584 -0.201 0.000 1.162 245 A CA 1.512 53.443 52.037 -0.177 0.000 0.674 245 A CB -0.335 18.586 19.000 -0.131 0.000 0.789 245 A HN 0.522 nan 8.150 nan 0.000 0.470 246 Q N -1.491 118.077 119.800 -0.387 0.000 2.269 246 Q HA 0.048 4.388 4.340 -0.000 0.000 0.201 246 Q C -0.116 175.745 176.000 -0.232 0.000 0.946 246 Q CA 0.691 56.234 55.803 -0.434 0.000 0.877 246 Q CB 0.007 28.268 28.738 -0.794 0.000 0.963 246 Q HN 0.706 nan 8.270 nan 0.000 0.472 247 F N 0.856 120.787 119.950 -0.031 0.000 2.963 247 F HA 0.237 4.764 4.527 -0.000 0.000 0.321 247 F C 0.244 176.036 175.800 -0.013 0.000 1.234 247 F CA -1.514 56.477 58.000 -0.015 0.000 1.296 247 F CB 0.267 39.263 39.000 -0.008 0.000 0.981 247 F HN -0.310 nan 8.300 nan 0.000 0.507 248 V N -0.328 119.659 119.914 0.122 0.000 2.482 248 V HA 0.565 4.685 4.120 -0.000 0.000 0.295 248 V C -0.600 175.529 176.094 0.058 0.000 1.026 248 V CA -1.171 61.175 62.300 0.077 0.000 0.856 248 V CB 1.719 33.565 31.823 0.039 0.000 1.001 248 V HN 0.104 nan 8.190 nan 0.000 0.424 249 L N 5.942 127.199 121.223 0.056 0.000 2.455 249 L HA 0.528 4.868 4.340 -0.000 0.000 0.272 249 L C 0.444 177.337 176.870 0.038 0.000 1.174 249 L CA 0.965 55.831 54.840 0.043 0.000 0.869 249 L CB 0.135 42.217 42.059 0.038 0.000 1.130 249 L HN 0.844 nan 8.230 nan 0.000 0.474 250 R N 3.313 123.835 120.500 0.036 0.000 2.795 250 R HA 0.577 4.917 4.340 -0.000 0.000 0.275 250 R C 0.723 177.054 176.300 0.051 0.000 0.981 250 R CA -0.290 55.833 56.100 0.038 0.000 0.917 250 R CB 1.348 31.660 30.300 0.020 0.000 1.202 250 R HN 0.683 nan 8.270 nan 0.000 0.469 251 A N 0.877 123.738 122.820 0.068 0.000 2.024 251 A HA -0.174 4.146 4.320 -0.000 0.000 0.220 251 A C 1.603 179.251 177.584 0.106 0.000 1.164 251 A CA 1.971 54.071 52.037 0.105 0.000 0.643 251 A CB -0.481 18.587 19.000 0.113 0.000 0.806 251 A HN 0.697 nan 8.150 nan 0.000 0.451 252 S N 0.531 116.238 115.700 0.012 0.000 2.368 252 S HA -0.142 4.328 4.470 -0.000 0.000 0.225 252 S C 1.441 175.991 174.600 -0.084 0.000 1.030 252 S CA 1.286 59.412 58.200 -0.124 0.000 0.999 252 S CB -0.432 62.695 63.200 -0.121 0.000 0.844 252 S HN 0.642 nan 8.310 nan 0.000 0.459 253 D N 1.718 122.110 120.400 -0.014 0.000 2.265 253 D HA -0.033 4.607 4.640 -0.000 0.000 0.208 253 D C 1.602 177.921 176.300 0.032 0.000 0.977 253 D CA 0.601 54.602 54.000 0.001 0.000 0.871 253 D CB -0.346 40.457 40.800 0.006 0.000 0.925 253 D HN 0.353 nan 8.370 nan 0.000 0.485 254 L N 0.124 121.398 121.223 0.085 0.000 2.465 254 L HA -0.115 4.225 4.340 -0.000 0.000 0.224 254 L C 1.998 178.953 176.870 0.142 0.000 1.145 254 L CA 0.469 55.359 54.840 0.083 0.000 0.834 254 L CB -0.401 41.733 42.059 0.124 0.000 0.944 254 L HN 0.031 nan 8.230 nan 0.000 0.451 255 H N 0.713 119.783 119.070 0.000 0.000 2.390 255 H HA -0.130 4.426 4.556 -0.000 0.000 0.298 255 H C 1.539 176.866 175.328 -0.002 0.000 1.106 255 H CA 1.343 57.397 56.048 0.011 0.000 1.297 255 H CB -0.170 29.598 29.762 0.010 0.000 1.375 255 H HN 0.389 nan 8.280 nan 0.000 0.509 256 N N 0.340 119.087 118.700 0.077 0.000 2.276 256 N HA 0.199 4.939 4.740 -0.000 0.000 0.212 256 N C 0.030 175.520 175.510 -0.032 0.000 1.127 256 N CA 0.311 53.370 53.050 0.015 0.000 0.834 256 N CB 0.686 39.175 38.487 0.004 0.000 1.014 256 N HN 0.159 nan 8.380 nan 0.000 0.491 257 A N 1.178 123.963 122.820 -0.058 0.000 2.354 257 A HA 0.257 4.577 4.320 -0.000 0.000 0.269 257 A C 0.586 178.148 177.584 -0.036 0.000 1.109 257 A CA -0.497 51.470 52.037 -0.116 0.000 0.800 257 A CB 0.907 19.718 19.000 -0.314 0.000 1.045 257 A HN 0.090 nan 8.150 nan 0.000 0.489 258 K N 0.885 121.263 120.400 -0.036 0.000 2.508 258 K HA 0.104 4.424 4.320 -0.000 0.000 0.273 258 K C 1.514 178.169 176.600 0.093 0.000 0.964 258 K CA 0.358 56.650 56.287 0.008 0.000 0.948 258 K CB 0.285 32.778 32.500 -0.011 0.000 0.917 258 K HN 0.762 nan 8.250 nan 0.000 0.512 259 A N 2.774 125.627 122.820 0.056 0.000 1.841 259 A HA -0.254 4.066 4.320 -0.000 0.000 0.216 259 A C 1.734 179.346 177.584 0.046 0.000 1.199 259 A CA 2.119 54.183 52.037 0.044 0.000 0.621 259 A CB -0.831 18.158 19.000 -0.018 0.000 0.835 259 A HN 0.975 nan 8.150 nan 0.000 0.445 260 N N -0.514 118.181 118.700 -0.008 0.000 2.348 260 N HA -0.126 4.614 4.740 -0.000 0.000 0.185 260 N C 0.878 176.381 175.510 -0.012 0.000 1.019 260 N CA 0.730 53.745 53.050 -0.058 0.000 0.880 260 N CB -0.601 37.834 38.487 -0.087 0.000 0.965 260 N HN 0.423 nan 8.380 nan 0.000 0.437 261 M N 1.724 121.365 119.600 0.068 0.000 2.323 261 M HA -0.055 4.425 4.480 -0.000 0.000 0.386 261 M C -0.404 175.968 176.300 0.121 0.000 1.525 261 M CA 1.045 56.365 55.300 0.032 0.000 0.914 261 M CB 0.097 32.617 32.600 -0.133 0.000 2.042 261 M HN 0.049 nan 8.290 nan 0.000 0.483 262 K N 4.097 124.510 120.400 0.022 0.000 2.371 262 K HA 0.581 4.901 4.320 -0.000 0.000 0.251 262 K C -1.330 175.326 176.600 0.094 0.000 0.934 262 K CA -0.703 55.623 56.287 0.066 0.000 0.798 262 K CB 2.204 34.661 32.500 -0.072 0.000 1.204 262 K HN 0.489 nan 8.250 nan 0.000 0.427 263 V N 3.953 123.975 119.914 0.180 0.000 2.394 263 V HA 0.449 4.569 4.120 -0.000 0.000 0.282 263 V C 0.213 176.450 176.094 0.239 0.000 1.031 263 V CA -0.857 61.549 62.300 0.175 0.000 0.881 263 V CB 1.163 33.115 31.823 0.214 0.000 0.982 263 V HN 0.487 nan 8.190 nan 0.000 0.451 264 L N 4.376 125.660 121.223 0.101 0.000 2.330 264 L HA 0.708 5.048 4.340 -0.000 0.000 0.271 264 L C -0.675 176.049 176.870 -0.244 0.000 1.013 264 L CA -0.629 54.205 54.840 -0.010 0.000 0.816 264 L CB 1.955 43.931 42.059 -0.138 0.000 1.287 264 L HN 0.678 nan 8.230 nan 0.000 0.435 265 H N 3.581 122.460 119.070 -0.318 0.000 3.179 265 H HA 0.195 4.751 4.556 -0.000 0.000 0.331 265 H C -2.454 172.737 175.328 -0.228 0.000 1.013 265 H CA -1.339 54.478 56.048 -0.384 0.000 1.430 265 H CB 2.743 32.252 29.762 -0.422 0.000 1.895 265 H HN 0.223 nan 8.280 nan 0.000 0.468 266 P HA -0.117 nan 4.420 nan 0.000 0.216 266 P C -0.075 177.363 177.300 0.230 0.000 1.150 266 P CA 0.815 64.000 63.100 0.142 0.000 0.843 266 P CB 1.005 32.798 31.700 0.156 0.000 0.787 267 L N -3.737 117.712 121.223 0.377 0.000 0.584 267 L HA -0.089 4.250 4.340 -0.000 0.000 0.356 267 L C -2.518 174.448 176.870 0.159 0.000 1.004 267 L CA -1.017 53.908 54.840 0.142 0.000 1.223 267 L CB -1.718 40.406 42.059 0.110 0.000 0.013 267 L HN 0.012 nan 8.230 nan 0.000 0.091 268 P HA 0.407 nan 4.420 nan 0.000 0.276 268 P C -1.236 175.966 177.300 -0.163 0.000 1.244 268 P CA -0.665 62.426 63.100 -0.014 0.000 0.801 268 P CB 0.750 32.465 31.700 0.025 0.000 1.006 269 R N 0.336 120.600 120.500 -0.393 0.000 2.607 269 R HA 0.648 4.987 4.340 -0.000 0.000 0.261 269 R C 0.154 176.364 176.300 -0.150 0.000 1.051 269 R CA -0.744 55.041 56.100 -0.524 0.000 1.110 269 R CB 0.755 30.622 30.300 -0.723 0.000 1.158 269 R HN 0.311 nan 8.270 nan 0.000 0.543 270 V N -4.499 115.381 119.914 -0.057 0.000 3.154 270 V HA 0.282 4.402 4.120 -0.000 0.000 0.221 270 V C 0.279 176.392 176.094 0.031 0.000 1.504 270 V CA 0.261 62.565 62.300 0.007 0.000 1.243 270 V CB 0.691 32.540 31.823 0.043 0.000 1.115 270 V HN 0.763 nan 8.190 nan 0.000 0.481 271 D N 0.080 120.514 120.400 0.057 0.000 2.186 271 D HA 0.074 4.714 4.640 -0.000 0.000 0.316 271 D C 1.894 178.231 176.300 0.061 0.000 1.071 271 D CA 0.917 54.958 54.000 0.068 0.000 0.869 271 D CB 0.339 41.209 40.800 0.116 0.000 1.623 271 D HN 0.639 nan 8.370 nan 0.000 0.531 272 E N 1.019 121.268 120.200 0.082 0.000 2.267 272 E HA -0.119 4.231 4.350 -0.000 0.000 0.197 272 E C 0.668 177.295 176.600 0.044 0.000 0.998 272 E CA 0.761 57.214 56.400 0.088 0.000 0.830 272 E CB 0.502 30.285 29.700 0.139 0.000 0.751 272 E HN 0.349 nan 8.360 nan 0.000 0.491 273 I N 1.046 121.610 120.570 -0.010 0.000 2.499 273 I HA 0.379 4.549 4.170 -0.000 0.000 0.288 273 I C -0.160 175.947 176.117 -0.018 0.000 1.048 273 I CA -1.092 60.182 61.300 -0.044 0.000 1.062 273 I CB 1.956 39.842 38.000 -0.191 0.000 1.238 273 I HN -0.048 nan 8.210 nan 0.000 0.426 274 A N 3.373 126.205 122.820 0.021 0.000 2.386 274 A HA 0.323 4.643 4.320 -0.000 0.000 0.248 274 A C 1.376 178.995 177.584 0.059 0.000 1.082 274 A CA 0.198 52.257 52.037 0.038 0.000 0.789 274 A CB 0.256 19.282 19.000 0.044 0.000 1.025 274 A HN 0.889 nan 8.150 nan 0.000 0.490 275 T N -1.284 113.309 114.554 0.064 0.000 2.962 275 T HA -0.137 4.213 4.350 -0.000 0.000 0.270 275 T C 0.920 175.678 174.700 0.097 0.000 1.088 275 T CA 1.442 63.596 62.100 0.090 0.000 1.127 275 T CB -0.489 68.426 68.868 0.078 0.000 0.883 275 T HN 0.773 nan 8.240 nan 0.000 0.493 276 D N 1.601 122.049 120.400 0.079 0.000 2.350 276 D HA -0.058 4.582 4.640 -0.000 0.000 0.216 276 D C 1.763 178.123 176.300 0.100 0.000 0.968 276 D CA 0.314 54.362 54.000 0.080 0.000 0.894 276 D CB -0.750 40.089 40.800 0.065 0.000 0.909 276 D HN 0.444 nan 8.370 nan 0.000 0.520 277 V N 0.699 120.684 119.914 0.118 0.000 2.871 277 V HA -0.136 3.984 4.120 -0.000 0.000 0.256 277 V C 1.587 177.783 176.094 0.171 0.000 1.082 277 V CA 1.435 63.825 62.300 0.151 0.000 1.105 277 V CB -0.449 31.467 31.823 0.155 0.000 0.713 277 V HN 0.038 nan 8.190 nan 0.000 0.473 278 D N 1.046 121.545 120.400 0.165 0.000 2.097 278 D HA -0.149 4.491 4.640 -0.000 0.000 0.195 278 D C 2.069 178.411 176.300 0.070 0.000 0.989 278 D CA 1.158 55.232 54.000 0.124 0.000 0.827 278 D CB -0.253 40.645 40.800 0.163 0.000 0.966 278 D HN 0.356 nan 8.370 nan 0.000 0.456 279 K N 0.026 120.471 120.400 0.074 0.000 2.442 279 K HA 0.061 4.380 4.320 -0.000 0.000 0.198 279 K C 0.449 177.079 176.600 0.049 0.000 1.042 279 K CA 0.375 56.692 56.287 0.051 0.000 0.958 279 K CB -0.214 32.316 32.500 0.050 0.000 0.766 279 K HN 0.012 nan 8.250 nan 0.000 0.474 280 T N 3.216 117.815 114.554 0.075 0.000 2.869 280 T HA 0.086 4.436 4.350 -0.000 0.000 0.295 280 T C -1.764 172.967 174.700 0.053 0.000 0.987 280 T CA -1.452 60.698 62.100 0.083 0.000 1.109 280 T CB 1.203 70.170 68.868 0.165 0.000 0.932 280 T HN 0.056 nan 8.240 nan 0.000 0.518 281 P HA -0.075 nan 4.420 nan 0.000 0.239 281 P C 0.728 178.022 177.300 -0.009 0.000 1.184 281 P CA 0.881 63.956 63.100 -0.041 0.000 0.760 281 P CB 0.188 31.809 31.700 -0.131 0.000 0.884 282 H N -0.232 118.903 119.070 0.110 0.000 2.547 282 H HA 0.261 4.817 4.556 -0.000 0.000 0.272 282 H C 0.964 176.400 175.328 0.179 0.000 0.971 282 H CA 0.062 56.175 56.048 0.109 0.000 1.245 282 H CB 0.042 29.844 29.762 0.068 0.000 1.440 282 H HN 0.110 nan 8.280 nan 0.000 0.540 283 A N 0.885 123.856 122.820 0.251 0.000 2.524 283 A HA -0.019 4.301 4.320 -0.000 0.000 0.250 283 A C 0.210 177.768 177.584 -0.042 0.000 1.078 283 A CA 0.108 52.182 52.037 0.061 0.000 0.761 283 A CB -0.227 18.725 19.000 -0.081 0.000 1.012 283 A HN 0.670 nan 8.150 nan 0.000 0.500 284 W N 3.512 124.572 121.300 -0.400 0.000 1.460 284 W HA 0.087 4.747 4.660 -0.000 0.000 0.226 284 W C -0.028 176.326 176.519 -0.275 0.000 0.808 284 W CA -0.035 57.139 57.345 -0.286 0.000 1.278 284 W CB 0.195 29.601 29.460 -0.090 0.000 0.927 284 W HN 1.071 nan 8.180 nan 0.000 0.442 285 Y N -2.129 118.073 120.300 -0.163 0.000 2.439 285 Y HA -0.016 4.533 4.550 -0.000 0.000 0.292 285 Y C 1.700 177.506 175.900 -0.156 0.000 1.130 285 Y CA 0.794 58.775 58.100 -0.197 0.000 1.254 285 Y CB -1.259 37.019 38.460 -0.303 0.000 1.000 285 Y HN -0.238 nan 8.280 nan 0.000 0.554 286 F N 0.705 120.504 119.950 -0.252 0.000 2.262 286 F HA 0.013 4.539 4.527 -0.000 0.000 0.292 286 F C 2.127 177.787 175.800 -0.234 0.000 1.081 286 F CA 0.340 58.231 58.000 -0.182 0.000 1.355 286 F CB -0.913 37.941 39.000 -0.242 0.000 1.069 286 F HN 0.017 nan 8.300 nan 0.000 0.506 287 Q N 0.106 119.722 119.800 -0.307 0.000 2.167 287 Q HA -0.200 4.140 4.340 -0.000 0.000 0.202 287 Q C 2.192 178.145 176.000 -0.079 0.000 0.970 287 Q CA 1.366 56.931 55.803 -0.397 0.000 0.855 287 Q CB -0.396 27.616 28.738 -1.209 0.000 0.911 287 Q HN 0.484 nan 8.270 nan 0.000 0.438 288 Q N 0.058 119.855 119.800 -0.003 0.000 2.050 288 Q HA -0.202 4.138 4.340 -0.000 0.000 0.202 288 Q C 1.974 178.079 176.000 0.174 0.000 0.980 288 Q CA 1.478 57.390 55.803 0.181 0.000 0.840 288 Q CB -0.221 28.635 28.738 0.197 0.000 0.898 288 Q HN 0.421 nan 8.270 nan 0.000 0.424 289 A N 0.586 123.497 122.820 0.152 0.000 1.892 289 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 289 A C 2.275 179.924 177.584 0.108 0.000 1.188 289 A CA 1.931 54.057 52.037 0.148 0.000 0.631 289 A CB -1.456 17.660 19.000 0.194 0.000 0.822 289 A HN 0.632 nan 8.150 nan 0.000 0.447 290 G N -0.418 108.444 108.800 0.104 0.000 2.402 290 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.216 290 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.216 290 G C 1.342 176.345 174.900 0.171 0.000 1.162 290 G CA 0.964 46.118 45.100 0.090 0.000 0.777 290 G HN 0.733 nan 8.290 nan 0.000 0.539 291 N N 0.677 119.587 118.700 0.350 0.000 2.430 291 N HA -0.067 4.673 4.740 -0.000 0.000 0.186 291 N C 2.249 177.967 175.510 0.347 0.000 1.032 291 N CA 0.380 53.790 53.050 0.601 0.000 0.893 291 N CB -0.103 38.752 38.487 0.612 0.000 0.957 291 N HN 0.352 nan 8.380 nan 0.000 0.442 292 G N 1.523 110.414 108.800 0.152 0.000 2.442 292 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.219 292 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.219 292 G C 1.352 176.183 174.900 -0.115 0.000 1.141 292 G CA 0.351 45.472 45.100 0.035 0.000 0.763 292 G HN 0.196 nan 8.290 nan 0.000 0.554 293 I N 0.141 120.562 120.570 -0.249 0.000 2.493 293 I HA -0.031 4.139 4.170 -0.000 0.000 0.254 293 I C 2.152 177.940 176.117 -0.548 0.000 1.160 293 I CA 0.958 61.974 61.300 -0.474 0.000 1.445 293 I CB -0.825 36.764 38.000 -0.684 0.000 1.086 293 I HN 0.145 nan 8.210 nan 0.000 0.433 294 F N 0.648 120.551 119.950 -0.078 0.000 2.374 294 F HA 0.194 4.721 4.527 -0.000 0.000 0.291 294 F C 2.598 178.251 175.800 -0.245 0.000 1.084 294 F CA 0.702 58.606 58.000 -0.160 0.000 1.413 294 F CB -1.110 37.774 39.000 -0.193 0.000 1.099 294 F HN -0.086 nan 8.300 nan 0.000 0.534 295 A N 0.842 123.627 122.820 -0.057 0.000 1.883 295 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 295 A C 2.258 179.775 177.584 -0.113 0.000 1.186 295 A CA 1.936 53.906 52.037 -0.111 0.000 0.624 295 A CB -0.771 18.218 19.000 -0.018 0.000 0.822 295 A HN 0.304 nan 8.150 nan 0.000 0.444 296 R N -0.898 119.491 120.500 -0.186 0.000 2.092 296 R HA -0.088 4.251 4.340 -0.000 0.000 0.231 296 R C 2.543 178.734 176.300 -0.181 0.000 1.119 296 R CA 1.465 57.383 56.100 -0.305 0.000 0.970 296 R CB -0.255 29.662 30.300 -0.638 0.000 0.864 296 R HN 0.699 nan 8.270 nan 0.000 0.440 297 Q N -0.172 119.545 119.800 -0.138 0.000 2.020 297 Q HA -0.151 4.188 4.340 -0.000 0.000 0.202 297 Q C 2.266 178.253 176.000 -0.022 0.000 0.982 297 Q CA 1.660 57.425 55.803 -0.063 0.000 0.838 297 Q CB -0.204 28.512 28.738 -0.035 0.000 0.899 297 Q HN 0.375 nan 8.270 nan 0.000 0.423 298 A N 0.827 123.630 122.820 -0.028 0.000 1.927 298 A HA -0.238 4.082 4.320 -0.000 0.000 0.220 298 A C 2.042 179.630 177.584 0.007 0.000 1.185 298 A CA 1.469 53.496 52.037 -0.017 0.000 0.639 298 A CB -0.795 18.171 19.000 -0.058 0.000 0.820 298 A HN 0.341 nan 8.150 nan 0.000 0.451 299 L N -0.508 120.719 121.223 0.007 0.000 1.970 299 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 299 L C 2.492 179.398 176.870 0.059 0.000 1.071 299 L CA 1.878 56.744 54.840 0.043 0.000 0.751 299 L CB -0.502 41.593 42.059 0.059 0.000 0.889 299 L HN 0.439 nan 8.230 nan 0.000 0.432 300 L N -1.026 120.235 121.223 0.064 0.000 2.043 300 L HA -0.283 4.057 4.340 -0.000 0.000 0.212 300 L C 2.604 179.510 176.870 0.059 0.000 1.075 300 L CA 1.334 56.219 54.840 0.076 0.000 0.752 300 L CB -0.788 41.319 42.059 0.080 0.000 0.891 300 L HN 0.436 nan 8.230 nan 0.000 0.432 301 A N 0.155 123.004 122.820 0.048 0.000 1.865 301 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 301 A C 2.185 179.813 177.584 0.073 0.000 1.191 301 A CA 1.641 53.709 52.037 0.052 0.000 0.623 301 A CB -0.794 18.229 19.000 0.038 0.000 0.826 301 A HN 0.380 nan 8.150 nan 0.000 0.444 302 L N -0.554 120.711 121.223 0.070 0.000 2.083 302 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 302 L C 2.311 179.253 176.870 0.121 0.000 1.083 302 L CA 0.943 55.839 54.840 0.094 0.000 0.752 302 L CB -0.527 41.575 42.059 0.073 0.000 0.899 302 L HN 0.229 nan 8.230 nan 0.000 0.433 303 V N -0.291 119.662 119.914 0.065 0.000 3.041 303 V HA -0.116 4.003 4.120 -0.000 0.000 0.260 303 V C 1.871 177.934 176.094 -0.052 0.000 1.105 303 V CA 1.123 63.415 62.300 -0.013 0.000 1.125 303 V CB 0.040 31.847 31.823 -0.027 0.000 0.730 303 V HN 0.381 nan 8.190 nan 0.000 0.479 304 L N -1.221 120.043 121.223 0.069 0.000 2.701 304 L HA 0.331 4.670 4.340 -0.000 0.000 0.238 304 L C 0.549 177.577 176.870 0.264 0.000 1.106 304 L CA 0.174 55.076 54.840 0.103 0.000 0.898 304 L CB 0.292 42.390 42.059 0.065 0.000 1.188 304 L HN 0.226 nan 8.230 nan 0.000 0.508 305 N N 0.754 119.622 118.700 0.280 0.000 2.518 305 N HA 0.164 4.904 4.740 -0.000 0.000 0.254 305 N C 0.714 176.267 175.510 0.071 0.000 0.979 305 N CA -0.120 53.039 53.050 0.183 0.000 0.930 305 N CB 2.019 40.558 38.487 0.087 0.000 1.152 305 N HN 0.030 nan 8.380 nan 0.000 0.505 306 R N 1.521 121.859 120.500 -0.270 0.000 2.140 306 R HA -0.118 4.222 4.340 -0.000 0.000 0.250 306 R C -0.453 175.642 176.300 -0.341 0.000 1.150 306 R CA 1.621 57.232 56.100 -0.816 0.000 0.966 306 R CB 0.225 30.077 30.300 -0.746 0.000 0.869 306 R HN 0.552 nan 8.270 nan 0.000 0.445 307 D N -0.443 119.859 120.400 -0.164 0.000 2.757 307 D HA 0.184 4.824 4.640 -0.000 0.000 0.249 307 D C -1.120 175.160 176.300 -0.034 0.000 1.168 307 D CA -0.409 53.539 54.000 -0.086 0.000 0.870 307 D CB 1.837 42.590 40.800 -0.079 0.000 1.411 307 D HN 0.089 nan 8.370 nan 0.000 0.525 308 L N 2.858 124.073 121.223 -0.013 0.000 2.353 308 L HA 0.162 4.502 4.340 -0.000 0.000 0.269 308 L C 0.514 177.385 176.870 0.002 0.000 1.085 308 L CA -0.614 54.228 54.840 0.004 0.000 0.938 308 L CB 1.314 43.383 42.059 0.017 0.000 1.312 308 L HN 0.143 nan 8.230 nan 0.000 0.429 309 V N 6.402 126.315 119.914 -0.001 0.000 2.304 309 V HA 0.142 4.262 4.120 -0.000 0.000 0.239 309 V C 0.038 176.135 176.094 0.006 0.000 1.201 309 V CA 0.536 62.836 62.300 -0.000 0.000 1.254 309 V CB -0.485 31.336 31.823 -0.002 0.000 1.335 309 V HN 0.533 nan 8.190 nan 0.000 0.491 310 L N 0.000 121.228 121.223 0.008 0.000 2.949 310 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 310 L CA 0.000 54.846 54.840 0.011 0.000 0.813 310 L CB 0.000 42.067 42.059 0.014 0.000 0.961 310 L HN 0.000 nan 8.230 nan 0.000 0.502