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 2ad7_1_C DATA FIRST_RESID 1 DATA SEQUENCE DADLDKQVNT AGAWPIATGG YYSQHNSPLA QINKSNVKNV KAAWSFSTGV DATA SEQUENCE LNGHEGAPLV IGDMMYVHSA FPNNTYALNL NDPGKIVWQH KPKQDASTKA DATA SEQUENCE VMCCDVVDRG LAYGAGQIVK KQANGHLLAL DAKTGKINWE VEVcDPKVGS DATA SEQUENCE TLTQAPFVAK DTVLMGcSGA ELGVRGAVNA FDLKTGELKW RAFATGSDDS DATA SEQUENCE VRLAKDFNSA NPHYGQFGLG TKTWEGDAWK IGGGTNWGWY AYDPKLNLFY DATA SEQUENCE YGSGNPAPWN ETMRPGDNKW TMTIWGRDLD TGMAKWGYQK TPHDEWDFAG DATA SEQUENCE VNQMVLTDQP VNGKMTPLLS HIDRNGILYT LNRENGNLIV AEKVDPAVNV DATA SEQUENCE FKKVDLKTGT PVRDPEFATR MDHKGTNIcP SAMGFHNQGV DSYDPESRTL DATA SEQUENCE YAGLNHIcMD WEPFMLPYRA GQFFVGATLA MYPGPNGPTK KEMGQIRAFD DATA SEQUENCE LTTGKAKWTK WEKFAAWGGT LYTKGGLVWY ATLDGYLKAL DNKDGKELWN DATA SEQUENCE FKMPSGGIGS PMTYSFKGKQ YIGSMYGVGG WPGVGLVFDL TDPSAGLGAV DATA SEQUENCE GAFRELQNHT QMGGGLMVFS L 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 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.340 176.300 0.066 0.000 2.045 1 D CA 0.000 54.013 54.000 0.022 0.000 0.868 1 D CB 0.000 40.792 40.800 -0.013 0.000 0.688 2 A N 0.032 122.884 122.820 0.053 0.000 1.933 2 A HA -0.159 4.160 4.320 -0.001 0.000 0.218 2 A C 1.692 179.325 177.584 0.083 0.000 1.175 2 A CA 2.690 54.768 52.037 0.068 0.000 0.628 2 A CB -0.972 18.058 19.000 0.050 0.000 0.814 2 A HN 0.637 nan 8.150 nan 0.000 0.444 3 D N -0.687 119.756 120.400 0.073 0.000 2.117 3 D HA -0.136 4.503 4.640 -0.001 0.000 0.198 3 D C 1.768 178.175 176.300 0.179 0.000 0.982 3 D CA 1.253 55.319 54.000 0.110 0.000 0.828 3 D CB -0.189 40.658 40.800 0.078 0.000 0.967 3 D HN 0.247 nan 8.370 nan 0.000 0.464 4 L N 0.614 121.936 121.223 0.165 0.000 2.046 4 L HA -0.123 4.217 4.340 -0.001 0.000 0.208 4 L C 1.451 178.406 176.870 0.141 0.000 1.077 4 L CA 1.891 56.853 54.840 0.203 0.000 0.747 4 L CB -0.772 41.377 42.059 0.150 0.000 0.896 4 L HN -0.027 nan 8.230 nan 0.000 0.432 5 D N -0.188 120.313 120.400 0.168 0.000 2.123 5 D HA -0.247 4.392 4.640 -0.001 0.000 0.196 5 D C 2.115 178.475 176.300 0.100 0.000 0.992 5 D CA 1.448 55.549 54.000 0.168 0.000 0.833 5 D CB -0.071 40.835 40.800 0.176 0.000 0.954 5 D HN 0.432 nan 8.370 nan 0.000 0.455 6 K N 0.316 120.773 120.400 0.095 0.000 2.063 6 K HA -0.172 4.148 4.320 -0.001 0.000 0.208 6 K C 2.017 178.647 176.600 0.050 0.000 1.048 6 K CA 1.085 57.415 56.287 0.073 0.000 0.928 6 K CB 0.202 32.750 32.500 0.080 0.000 0.713 6 K HN -0.035 nan 8.250 nan 0.000 0.442 7 Q N 0.234 120.060 119.800 0.044 0.000 2.079 7 Q HA -0.088 4.251 4.340 -0.001 0.000 0.200 7 Q C 2.224 178.201 176.000 -0.038 0.000 0.974 7 Q CA 1.044 56.837 55.803 -0.016 0.000 0.840 7 Q CB -0.222 28.460 28.738 -0.094 0.000 0.898 7 Q HN 0.189 nan 8.270 nan 0.000 0.430 8 V N 2.296 122.177 119.914 -0.055 0.000 2.392 8 V HA -0.211 3.908 4.120 -0.001 0.000 0.249 8 V C 1.365 177.434 176.094 -0.042 0.000 1.059 8 V CA 1.565 63.800 62.300 -0.108 0.000 1.051 8 V CB -0.400 31.314 31.823 -0.181 0.000 0.658 8 V HN 0.354 nan 8.190 nan 0.000 0.455 9 N N -0.529 118.173 118.700 0.003 0.000 2.314 9 N HA 0.020 4.760 4.740 -0.001 0.000 0.200 9 N C 0.400 175.927 175.510 0.029 0.000 1.135 9 N CA 0.215 53.279 53.050 0.023 0.000 0.835 9 N CB 0.313 38.824 38.487 0.040 0.000 0.989 9 N HN 0.385 nan 8.380 nan 0.000 0.478 10 T N 1.031 115.601 114.554 0.026 0.000 2.733 10 T HA 0.423 4.773 4.350 -0.001 0.000 0.294 10 T C 0.340 175.072 174.700 0.054 0.000 0.956 10 T CA -0.639 61.485 62.100 0.040 0.000 0.987 10 T CB 1.356 70.246 68.868 0.037 0.000 0.920 10 T HN 0.136 nan 8.240 nan 0.000 0.470 11 A N 2.588 125.444 122.820 0.059 0.000 2.546 11 A HA 0.492 4.812 4.320 -0.001 0.000 0.243 11 A C 1.614 179.259 177.584 0.102 0.000 1.063 11 A CA 0.415 52.495 52.037 0.072 0.000 0.757 11 A CB -0.763 18.273 19.000 0.060 0.000 0.991 11 A HN 1.561 nan 8.150 nan 0.000 0.503 12 G N 0.727 109.605 108.800 0.130 0.000 2.179 12 G HA2 0.135 4.095 3.960 -0.001 0.000 0.260 12 G HA3 0.135 4.095 3.960 -0.001 0.000 0.260 12 G C 0.569 175.616 174.900 0.246 0.000 0.977 12 G CA 0.599 45.811 45.100 0.186 0.000 0.641 12 G HN 2.159 nan 8.290 nan 0.000 0.533 13 A N -0.348 122.583 122.820 0.186 0.000 2.271 13 A HA 0.676 4.996 4.320 -0.001 0.000 0.288 13 A C -0.018 177.721 177.584 0.258 0.000 1.094 13 A CA 0.009 52.149 52.037 0.171 0.000 0.828 13 A CB 0.656 19.693 19.000 0.061 0.000 1.091 13 A HN 1.223 nan 8.150 nan 0.000 0.493 14 W N 3.406 124.706 121.300 0.001 0.000 2.162 14 W HA 0.325 4.985 4.660 -0.000 0.000 0.292 14 W C -2.762 173.743 176.519 -0.023 0.000 0.998 14 W CA -1.500 55.852 57.345 0.013 0.000 1.570 14 W CB 2.108 31.601 29.460 0.055 0.000 1.644 14 W HN 0.637 nan 8.180 nan 0.000 0.360 15 P HA 0.150 nan 4.420 nan 0.000 0.251 15 P C 0.182 177.381 177.300 -0.168 0.000 1.223 15 P CA 0.679 63.678 63.100 -0.169 0.000 0.796 15 P CB 1.400 32.976 31.700 -0.208 0.000 1.068 16 I N -0.550 119.805 120.570 -0.360 0.000 2.499 16 I HA 0.332 4.502 4.170 -0.001 0.000 0.288 16 I C 1.432 177.416 176.117 -0.221 0.000 1.048 16 I CA -1.007 60.139 61.300 -0.256 0.000 1.062 16 I CB 2.157 39.973 38.000 -0.307 0.000 1.238 16 I HN -0.285 nan 8.210 nan 0.000 0.426 17 A N 3.695 126.606 122.820 0.152 0.000 1.958 17 A HA -0.206 4.113 4.320 -0.001 0.000 0.221 17 A C 1.914 179.719 177.584 0.368 0.000 1.178 17 A CA 2.669 54.948 52.037 0.403 0.000 0.642 17 A CB -0.873 18.448 19.000 0.535 0.000 0.816 17 A HN 0.818 nan 8.150 nan 0.000 0.453 18 T N -4.508 110.186 114.554 0.234 0.000 3.144 18 T HA 0.433 4.783 4.350 -0.001 0.000 0.249 18 T C 1.321 176.153 174.700 0.220 0.000 1.089 18 T CA 0.951 63.177 62.100 0.210 0.000 0.989 18 T CB 0.150 69.155 68.868 0.228 0.000 0.992 18 T HN 1.748 nan 8.240 nan 0.000 0.540 19 G N -0.195 108.479 108.800 -0.210 0.000 2.195 19 G HA2 0.212 4.172 3.960 -0.001 0.000 0.246 19 G HA3 0.212 4.172 3.960 -0.001 0.000 0.246 19 G C 0.505 175.166 174.900 -0.398 0.000 0.984 19 G CA -0.361 44.355 45.100 -0.639 0.000 0.633 19 G HN 1.674 nan 8.290 nan 0.000 0.525 20 G N -2.532 106.146 108.800 -0.204 0.000 2.337 20 G HA2 0.484 4.443 3.960 -0.001 0.000 0.298 20 G HA3 0.484 4.443 3.960 -0.001 0.000 0.298 20 G C 0.079 175.022 174.900 0.071 0.000 1.335 20 G CA 0.304 45.298 45.100 -0.177 0.000 0.875 20 G HN 0.430 nan 8.290 nan 0.000 0.579 21 Y N -0.303 120.132 120.300 0.224 0.000 2.224 21 Y HA -0.031 4.519 4.550 -0.001 0.000 0.289 21 Y C 2.532 178.809 175.900 0.628 0.000 1.146 21 Y CA 1.916 60.299 58.100 0.472 0.000 1.182 21 Y CB -0.427 38.296 38.460 0.439 0.000 0.983 21 Y HN 0.573 nan 8.280 nan 0.000 0.524 22 Y N -0.679 119.854 120.300 0.388 0.000 2.583 22 Y HA -0.034 4.516 4.550 -0.001 0.000 0.293 22 Y C 1.067 177.108 175.900 0.234 0.000 1.157 22 Y CA 0.164 58.426 58.100 0.270 0.000 1.315 22 Y CB -0.018 38.546 38.460 0.174 0.000 1.021 22 Y HN -0.096 nan 8.280 nan 0.000 0.536 23 S N 0.733 116.684 115.700 0.419 0.000 3.614 23 S HA -0.274 4.195 4.470 -0.001 0.000 0.360 23 S C 0.770 175.537 174.600 0.279 0.000 1.023 23 S CA 0.571 58.964 58.200 0.321 0.000 1.114 23 S CB -1.442 61.949 63.200 0.319 0.000 0.907 23 S HN 0.632 nan 8.310 nan 0.000 0.470 24 Q N -0.038 119.945 119.800 0.306 0.000 2.451 24 Q HA 0.054 4.394 4.340 -0.001 0.000 0.206 24 Q C 0.696 176.951 176.000 0.425 0.000 0.947 24 Q CA 0.135 56.141 55.803 0.339 0.000 0.937 24 Q CB 0.046 29.011 28.738 0.378 0.000 1.025 24 Q HN 0.830 nan 8.270 nan 0.000 0.511 25 H N 1.555 120.782 119.070 0.261 0.000 2.527 25 H HA -0.171 4.384 4.556 -0.001 0.000 0.321 25 H C -0.805 174.786 175.328 0.438 0.000 1.092 25 H CA 0.861 57.114 56.048 0.341 0.000 1.118 25 H CB -1.230 28.713 29.762 0.302 0.000 1.536 25 H HN 0.579 nan 8.280 nan 0.000 0.407 26 N N -0.650 118.251 118.700 0.334 0.000 3.038 26 N HA 0.570 5.309 4.740 -0.001 0.000 0.307 26 N C -1.212 174.468 175.510 0.284 0.000 1.441 26 N CA -0.638 52.617 53.050 0.341 0.000 0.772 26 N CB 2.707 41.467 38.487 0.455 0.000 1.651 26 N HN 0.122 nan 8.380 nan 0.000 0.593 27 S N -0.644 115.189 115.700 0.220 0.000 2.533 27 S HA 0.413 4.883 4.470 -0.001 0.000 0.271 27 S C -2.532 172.133 174.600 0.109 0.000 1.143 27 S CA -1.142 57.160 58.200 0.171 0.000 0.891 27 S CB 1.914 65.203 63.200 0.148 0.000 1.105 27 S HN 0.561 nan 8.310 nan 0.000 0.468 28 P HA 0.197 nan 4.420 nan 0.000 0.245 28 P C 0.066 177.392 177.300 0.044 0.000 1.206 28 P CA 0.001 63.150 63.100 0.081 0.000 0.781 28 P CB -0.036 31.714 31.700 0.083 0.000 0.994 29 L N 0.708 121.949 121.223 0.031 0.000 2.534 29 L HA 0.139 4.478 4.340 -0.001 0.000 0.271 29 L C 1.300 178.155 176.870 -0.025 0.000 1.178 29 L CA -0.087 54.753 54.840 0.000 0.000 0.907 29 L CB 0.212 42.260 42.059 -0.017 0.000 1.164 29 L HN -0.010 nan 8.230 nan 0.000 0.482 30 A N 2.850 125.657 122.820 -0.021 0.000 2.589 30 A HA 0.074 4.394 4.320 -0.001 0.000 0.283 30 A C 1.578 179.141 177.584 -0.036 0.000 1.187 30 A CA -0.332 51.690 52.037 -0.026 0.000 0.957 30 A CB 0.201 19.197 19.000 -0.007 0.000 1.175 30 A HN 0.862 nan 8.150 nan 0.000 0.532 31 Q N 0.128 119.897 119.800 -0.052 0.000 2.096 31 Q HA -0.062 4.277 4.340 -0.001 0.000 0.204 31 Q C 0.064 176.022 176.000 -0.070 0.000 0.982 31 Q CA 1.204 56.968 55.803 -0.066 0.000 0.850 31 Q CB -0.103 28.579 28.738 -0.093 0.000 0.901 31 Q HN 0.675 nan 8.270 nan 0.000 0.422 32 I N 2.359 122.887 120.570 -0.070 0.000 2.325 32 I HA 0.139 4.309 4.170 -0.001 0.000 0.291 32 I C -0.411 175.690 176.117 -0.027 0.000 1.019 32 I CA -0.671 60.600 61.300 -0.049 0.000 1.302 32 I CB 0.791 38.789 38.000 -0.004 0.000 1.401 32 I HN 0.304 nan 8.210 nan 0.000 0.485 33 N N 4.525 123.193 118.700 -0.053 0.000 3.102 33 N HA 0.366 5.106 4.740 -0.001 0.000 0.299 33 N C 0.025 175.481 175.510 -0.090 0.000 1.482 33 N CA -1.030 51.983 53.050 -0.062 0.000 0.785 33 N CB 0.721 39.182 38.487 -0.043 0.000 1.680 33 N HN 0.210 nan 8.380 nan 0.000 0.594 34 K N -0.456 119.894 120.400 -0.084 0.000 2.103 34 K HA -0.152 4.167 4.320 -0.001 0.000 0.207 34 K C 1.530 178.087 176.600 -0.072 0.000 1.048 34 K CA 1.959 58.191 56.287 -0.092 0.000 0.930 34 K CB -0.312 32.145 32.500 -0.072 0.000 0.716 34 K HN 0.677 nan 8.250 nan 0.000 0.444 35 S N 1.424 117.092 115.700 -0.054 0.000 2.436 35 S HA -0.091 4.379 4.470 -0.001 0.000 0.228 35 S C 1.411 175.987 174.600 -0.040 0.000 1.014 35 S CA 1.206 59.381 58.200 -0.041 0.000 0.950 35 S CB -0.242 62.940 63.200 -0.031 0.000 0.784 35 S HN 0.414 nan 8.310 nan 0.000 0.504 36 N N 0.341 119.010 118.700 -0.051 0.000 2.171 36 N HA 0.165 4.905 4.740 -0.001 0.000 0.212 36 N C 1.077 176.543 175.510 -0.073 0.000 1.184 36 N CA 0.276 53.296 53.050 -0.050 0.000 0.888 36 N CB -0.142 38.315 38.487 -0.050 0.000 1.038 36 N HN 0.219 nan 8.380 nan 0.000 0.517 37 V N 1.857 121.707 119.914 -0.106 0.000 2.568 37 V HA -0.253 3.866 4.120 -0.001 0.000 0.253 37 V C 2.126 178.135 176.094 -0.142 0.000 1.072 37 V CA 2.211 64.396 62.300 -0.191 0.000 1.084 37 V CB -0.564 31.098 31.823 -0.269 0.000 0.676 37 V HN 0.575 nan 8.190 nan 0.000 0.469 38 K N -0.291 120.115 120.400 0.010 0.000 2.280 38 K HA -0.136 4.184 4.320 -0.001 0.000 0.202 38 K C 1.279 177.987 176.600 0.179 0.000 1.047 38 K CA 1.816 58.199 56.287 0.159 0.000 0.942 38 K CB -0.431 32.125 32.500 0.093 0.000 0.739 38 K HN 0.461 nan 8.250 nan 0.000 0.457 39 N N 1.176 119.912 118.700 0.060 0.000 2.280 39 N HA 0.050 4.790 4.740 -0.001 0.000 0.192 39 N C -0.349 175.188 175.510 0.046 0.000 1.109 39 N CA 0.007 53.096 53.050 0.065 0.000 0.855 39 N CB 0.496 38.995 38.487 0.020 0.000 0.974 39 N HN -0.032 nan 8.380 nan 0.000 0.482 40 V N 2.493 122.373 119.914 -0.057 0.000 2.655 40 V HA 0.015 4.134 4.120 -0.001 0.000 0.300 40 V C 0.559 176.770 176.094 0.196 0.000 1.044 40 V CA 0.225 62.443 62.300 -0.138 0.000 1.095 40 V CB 0.464 31.898 31.823 -0.648 0.000 0.952 40 V HN 0.306 nan 8.190 nan 0.000 0.485 41 K N 3.663 124.174 120.400 0.185 0.000 2.480 41 K HA 0.871 5.190 4.320 -0.001 0.000 0.258 41 K C -0.700 176.018 176.600 0.196 0.000 0.990 41 K CA -0.923 55.530 56.287 0.276 0.000 0.857 41 K CB 2.042 34.639 32.500 0.161 0.000 1.384 41 K HN 0.591 nan 8.250 nan 0.000 0.446 42 A N 0.475 123.292 122.820 -0.005 0.000 2.477 42 A HA 0.440 4.760 4.320 -0.001 0.000 0.246 42 A C 0.792 178.229 177.584 -0.245 0.000 1.078 42 A CA 0.300 52.050 52.037 -0.478 0.000 0.770 42 A CB 0.260 18.867 19.000 -0.655 0.000 1.011 42 A HN 0.898 nan 8.150 nan 0.000 0.494 43 A N 3.239 125.882 122.820 -0.295 0.000 1.920 43 A HA 0.526 4.845 4.320 -0.001 0.000 0.209 43 A C 0.659 178.325 177.584 0.137 0.000 1.229 43 A CA 1.123 53.161 52.037 0.001 0.000 0.671 43 A CB 0.008 19.103 19.000 0.158 0.000 0.886 43 A HN 1.470 nan 8.150 nan 0.000 0.461 44 W N -2.195 119.011 121.300 -0.158 0.000 2.926 44 W HA 0.566 5.226 4.660 -0.001 0.000 0.361 44 W C -1.119 175.318 176.519 -0.137 0.000 1.195 44 W CA -0.133 57.141 57.345 -0.118 0.000 1.177 44 W CB 0.152 29.566 29.460 -0.076 0.000 1.453 44 W HN 0.527 nan 8.180 nan 0.000 0.571 45 S N 0.302 116.175 115.700 0.288 0.000 2.607 45 S HA 0.888 5.358 4.470 -0.001 0.000 0.273 45 S C -1.845 173.012 174.600 0.428 0.000 1.148 45 S CA -0.710 57.594 58.200 0.175 0.000 0.833 45 S CB 3.152 66.393 63.200 0.069 0.000 1.130 45 S HN 0.850 nan 8.310 nan 0.000 0.470 46 F N 1.108 121.146 119.950 0.147 0.000 2.630 46 F HA 0.623 5.150 4.527 -0.000 0.000 0.325 46 F C -0.528 175.250 175.800 -0.037 0.000 1.184 46 F CA -0.217 57.830 58.000 0.077 0.000 1.011 46 F CB 1.930 41.009 39.000 0.132 0.000 1.268 46 F HN 0.805 nan 8.300 nan 0.000 0.480 47 S N 2.670 117.992 115.700 -0.631 0.000 2.562 47 S HA 0.322 4.791 4.470 -0.001 0.000 0.275 47 S C 1.098 175.186 174.600 -0.854 0.000 1.281 47 S CA 0.213 58.094 58.200 -0.532 0.000 1.045 47 S CB 1.157 64.163 63.200 -0.323 0.000 0.962 47 S HN 0.838 nan 8.310 nan 0.000 0.503 48 T N 1.395 115.672 114.554 -0.461 0.000 3.067 48 T HA 0.252 4.601 4.350 -0.001 0.000 0.261 48 T C 1.461 176.064 174.700 -0.163 0.000 1.110 48 T CA 0.681 62.615 62.100 -0.277 0.000 1.113 48 T CB -0.524 68.436 68.868 0.153 0.000 0.917 48 T HN 1.592 nan 8.240 nan 0.000 0.499 49 G N 0.491 109.187 108.800 -0.175 0.000 2.143 49 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.248 49 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.248 49 G C -0.043 174.867 174.900 0.016 0.000 0.991 49 G CA 0.067 45.119 45.100 -0.081 0.000 0.689 49 G HN 0.808 nan 8.290 nan 0.000 0.522 50 V N 0.313 120.265 119.914 0.062 0.000 2.876 50 V HA 0.746 4.866 4.120 -0.001 0.000 0.312 50 V C 0.756 176.954 176.094 0.173 0.000 1.085 50 V CA -0.980 61.407 62.300 0.145 0.000 0.945 50 V CB 2.113 34.070 31.823 0.224 0.000 1.017 50 V HN 0.238 nan 8.190 nan 0.000 0.428 51 L N 1.727 123.044 121.223 0.156 0.000 2.902 51 L HA 0.676 5.016 4.340 -0.001 0.000 0.229 51 L C 0.440 177.433 176.870 0.204 0.000 1.324 51 L CA -0.743 54.172 54.840 0.125 0.000 1.230 51 L CB 0.580 42.664 42.059 0.041 0.000 2.134 51 L HN 0.826 nan 8.230 nan 0.000 0.567 52 N N -1.068 117.690 118.700 0.096 0.000 6.320 52 N HA -0.147 4.593 4.740 -0.001 0.000 0.402 52 N C -0.358 175.269 175.510 0.194 0.000 1.032 52 N CA 0.779 53.870 53.050 0.068 0.000 2.000 52 N CB -0.533 37.994 38.487 0.067 0.000 0.715 52 N HN 0.857 nan 8.380 nan 0.000 0.530 53 G N 0.131 109.016 108.800 0.141 0.000 2.340 53 G HA2 0.232 4.192 3.960 -0.001 0.000 0.245 53 G HA3 0.232 4.192 3.960 -0.001 0.000 0.245 53 G C -0.431 174.590 174.900 0.202 0.000 1.294 53 G CA 0.281 45.498 45.100 0.194 0.000 0.896 53 G HN 0.502 nan 8.290 nan 0.000 0.522 54 H N 1.643 120.774 119.070 0.101 0.000 2.643 54 H HA 0.268 4.823 4.556 -0.001 0.000 0.259 54 H C 0.518 175.941 175.328 0.159 0.000 1.298 54 H CA -0.349 55.741 56.048 0.070 0.000 1.301 54 H CB 0.511 30.248 29.762 -0.041 0.000 1.422 54 H HN 0.613 nan 8.280 nan 0.000 0.521 55 E N 0.987 121.356 120.200 0.283 0.000 2.359 55 E HA 0.484 4.833 4.350 -0.001 0.000 0.255 55 E C 0.808 177.706 176.600 0.497 0.000 1.191 55 E CA -0.116 56.526 56.400 0.404 0.000 0.952 55 E CB 0.941 30.906 29.700 0.441 0.000 1.152 55 E HN 0.704 nan 8.360 nan 0.000 0.496 56 G N -0.330 108.806 108.800 0.561 0.000 2.645 56 G HA2 0.045 4.004 3.960 -0.001 0.000 0.239 56 G HA3 0.045 4.004 3.960 -0.001 0.000 0.239 56 G C -0.752 174.459 174.900 0.519 0.000 1.331 56 G CA -0.400 45.072 45.100 0.619 0.000 0.890 56 G HN 0.915 nan 8.290 nan 0.000 0.572 57 A N -0.471 122.671 122.820 0.537 0.000 2.610 57 A HA 0.917 5.237 4.320 -0.001 0.000 0.291 57 A C -2.716 175.096 177.584 0.381 0.000 1.086 57 A CA 0.005 52.265 52.037 0.372 0.000 0.677 57 A CB 1.647 20.808 19.000 0.267 0.000 1.278 57 A HN 1.132 nan 8.150 nan 0.000 0.414 58 P HA 0.492 nan 4.420 nan 0.000 0.274 58 P C -0.845 176.595 177.300 0.233 0.000 1.246 58 P CA -0.123 63.107 63.100 0.218 0.000 0.795 58 P CB 0.646 32.387 31.700 0.068 0.000 1.006 59 L N 0.289 121.664 121.223 0.254 0.000 2.334 59 L HA 0.535 4.875 4.340 -0.001 0.000 0.272 59 L C -0.168 176.804 176.870 0.169 0.000 1.020 59 L CA -1.190 53.836 54.840 0.310 0.000 0.812 59 L CB 1.995 44.216 42.059 0.271 0.000 1.264 59 L HN 0.074 nan 8.230 nan 0.000 0.439 60 V N 4.015 124.009 119.914 0.133 0.000 2.443 60 V HA 0.431 4.550 4.120 -0.001 0.000 0.293 60 V C -0.463 175.629 176.094 -0.004 0.000 1.021 60 V CA -0.393 61.881 62.300 -0.044 0.000 0.848 60 V CB 2.021 33.715 31.823 -0.216 0.000 0.998 60 V HN 0.395 nan 8.190 nan 0.000 0.424 61 I N 4.475 125.038 120.570 -0.012 0.000 2.410 61 I HA 0.652 4.821 4.170 -0.001 0.000 0.286 61 I C 0.971 177.072 176.117 -0.027 0.000 1.009 61 I CA 0.353 61.591 61.300 -0.102 0.000 1.111 61 I CB 0.664 38.529 38.000 -0.224 0.000 1.262 61 I HN 0.818 nan 8.210 nan 0.000 0.443 62 G N 6.936 115.729 108.800 -0.011 0.000 2.591 62 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.298 62 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.298 62 G C 0.319 175.244 174.900 0.043 0.000 1.195 62 G CA 0.724 45.845 45.100 0.035 0.000 0.989 62 G HN 0.729 nan 8.290 nan 0.000 0.551 63 D N 0.564 120.983 120.400 0.032 0.000 2.427 63 D HA 0.353 4.993 4.640 -0.001 0.000 0.224 63 D C 0.936 177.119 176.300 -0.196 0.000 1.157 63 D CA 0.094 54.093 54.000 -0.002 0.000 0.828 63 D CB -0.140 40.731 40.800 0.119 0.000 0.974 63 D HN 0.561 nan 8.370 nan 0.000 0.498 64 M N 0.501 119.977 119.600 -0.207 0.000 2.456 64 M HA 0.417 4.896 4.480 -0.001 0.000 0.324 64 M C -0.609 175.368 176.300 -0.540 0.000 1.124 64 M CA -0.728 54.334 55.300 -0.396 0.000 0.959 64 M CB 3.121 35.519 32.600 -0.337 0.000 1.692 64 M HN -0.064 nan 8.290 nan 0.000 0.444 65 M N 2.061 121.220 119.600 -0.734 0.000 2.456 65 M HA 0.529 5.009 4.480 -0.001 0.000 0.324 65 M C -2.093 173.691 176.300 -0.859 0.000 1.124 65 M CA -0.497 54.428 55.300 -0.626 0.000 0.959 65 M CB 1.871 34.189 32.600 -0.470 0.000 1.692 65 M HN 0.631 nan 8.290 nan 0.000 0.444 66 Y N 3.105 123.298 120.300 -0.178 0.000 2.326 66 Y HA 0.569 5.119 4.550 -0.001 0.000 0.331 66 Y C -0.638 175.239 175.900 -0.038 0.000 0.962 66 Y CA -0.830 57.177 58.100 -0.154 0.000 1.167 66 Y CB 1.673 40.083 38.460 -0.083 0.000 1.148 66 Y HN 0.333 nan 8.280 nan 0.000 0.463 67 V N 4.173 124.126 119.914 0.065 0.000 2.547 67 V HA 0.430 4.550 4.120 -0.001 0.000 0.299 67 V C -0.301 175.989 176.094 0.327 0.000 1.040 67 V CA -0.771 61.631 62.300 0.171 0.000 0.913 67 V CB 1.396 33.243 31.823 0.039 0.000 0.992 67 V HN 0.829 nan 8.190 nan 0.000 0.449 68 H N 1.564 120.772 119.070 0.229 0.000 2.690 68 H HA 0.771 5.327 4.556 -0.001 0.000 0.368 68 H C -0.522 174.939 175.328 0.222 0.000 1.150 68 H CA -0.531 55.641 56.048 0.207 0.000 1.174 68 H CB 1.967 31.821 29.762 0.153 0.000 1.684 68 H HN 0.645 nan 8.280 nan 0.000 0.538 69 S N 1.804 117.547 115.700 0.071 0.000 2.768 69 S HA 0.812 5.282 4.470 -0.001 0.000 0.300 69 S C 0.317 174.782 174.600 -0.225 0.000 1.122 69 S CA -0.384 57.760 58.200 -0.095 0.000 0.995 69 S CB 1.444 64.744 63.200 0.167 0.000 1.195 69 S HN 1.045 nan 8.310 nan 0.000 0.547 70 A N 0.296 122.825 122.820 -0.484 0.000 2.251 70 A HA 0.565 4.884 4.320 -0.001 0.000 0.278 70 A C 0.001 177.607 177.584 0.036 0.000 1.206 70 A CA -0.659 51.265 52.037 -0.188 0.000 0.822 70 A CB -0.535 18.349 19.000 -0.194 0.000 1.187 70 A HN 0.948 nan 8.150 nan 0.000 0.504 71 F N 0.930 120.881 119.950 0.001 0.000 2.642 71 F HA 0.173 4.699 4.527 -0.001 0.000 0.371 71 F C -1.110 174.706 175.800 0.027 0.000 1.120 71 F CA -0.904 57.112 58.000 0.026 0.000 1.331 71 F CB 0.647 39.672 39.000 0.043 0.000 1.044 71 F HN 0.314 nan 8.300 nan 0.000 0.594 72 P HA -0.025 nan 4.420 nan 0.000 0.269 72 P C -1.095 175.933 177.300 -0.454 0.000 1.461 72 P CA 0.368 62.785 63.100 -1.137 0.000 0.809 72 P CB -0.635 30.520 31.700 -0.908 0.000 1.503 73 N N -0.638 117.955 118.700 -0.178 0.000 2.681 73 N HA -0.139 4.600 4.740 -0.001 0.000 0.259 73 N C -0.570 174.917 175.510 -0.038 0.000 1.066 73 N CA 0.375 53.409 53.050 -0.027 0.000 0.717 73 N CB -1.814 36.684 38.487 0.019 0.000 0.885 73 N HN 0.304 nan 8.380 nan 0.000 0.547 74 N N 0.445 119.111 118.700 -0.057 0.000 2.530 74 N HA 0.365 5.104 4.740 -0.001 0.000 0.277 74 N C -0.066 175.335 175.510 -0.182 0.000 1.168 74 N CA 0.166 53.109 53.050 -0.178 0.000 0.979 74 N CB 0.911 39.249 38.487 -0.247 0.000 1.141 74 N HN 0.153 nan 8.380 nan 0.000 0.459 75 T N 1.650 116.032 114.554 -0.287 0.000 2.807 75 T HA 0.480 4.830 4.350 -0.001 0.000 0.279 75 T C -0.910 173.498 174.700 -0.488 0.000 0.993 75 T CA -0.368 61.633 62.100 -0.165 0.000 0.970 75 T CB 0.392 69.324 68.868 0.107 0.000 0.950 75 T HN 0.238 nan 8.240 nan 0.000 0.441 76 Y N 0.892 121.141 120.300 -0.085 0.000 2.361 76 Y HA 0.624 5.174 4.550 -0.001 0.000 0.337 76 Y C 0.097 175.673 175.900 -0.540 0.000 0.965 76 Y CA -1.188 56.765 58.100 -0.245 0.000 1.091 76 Y CB 1.645 40.044 38.460 -0.101 0.000 1.182 76 Y HN 0.788 nan 8.280 nan 0.000 0.450 77 A N 5.075 127.468 122.820 -0.712 0.000 2.288 77 A HA 0.882 5.201 4.320 -0.001 0.000 0.320 77 A C -1.163 176.008 177.584 -0.688 0.000 1.217 77 A CA -0.577 50.879 52.037 -0.969 0.000 0.840 77 A CB 0.435 18.438 19.000 -1.661 0.000 1.179 77 A HN 0.791 nan 8.150 nan 0.000 0.504 78 L N 2.311 123.113 121.223 -0.702 0.000 2.381 78 L HA 0.470 4.809 4.340 -0.001 0.000 0.268 78 L C -0.113 176.436 176.870 -0.536 0.000 0.997 78 L CA -0.956 53.547 54.840 -0.561 0.000 0.818 78 L CB 1.999 43.691 42.059 -0.611 0.000 1.310 78 L HN 0.731 nan 8.230 nan 0.000 0.416 79 N N 2.133 120.580 118.700 -0.421 0.000 2.434 79 N HA 0.271 5.011 4.740 -0.001 0.000 0.272 79 N C 0.704 175.920 175.510 -0.490 0.000 1.040 79 N CA -0.283 52.543 53.050 -0.374 0.000 0.956 79 N CB 1.787 40.136 38.487 -0.230 0.000 1.108 79 N HN 0.661 nan 8.380 nan 0.000 0.481 80 L N 3.263 124.112 121.223 -0.623 0.000 2.349 80 L HA -0.168 4.172 4.340 -0.001 0.000 0.220 80 L C 1.232 177.585 176.870 -0.862 0.000 1.130 80 L CA 0.926 55.196 54.840 -0.951 0.000 0.791 80 L CB -0.303 40.872 42.059 -1.474 0.000 0.918 80 L HN 0.560 nan 8.230 nan 0.000 0.444 81 N N -0.731 117.717 118.700 -0.420 0.000 2.459 81 N HA -0.105 4.634 4.740 -0.001 0.000 0.181 81 N C 0.117 175.531 175.510 -0.160 0.000 1.046 81 N CA 0.740 53.753 53.050 -0.062 0.000 0.904 81 N CB 0.138 38.665 38.487 0.067 0.000 0.964 81 N HN 0.143 nan 8.380 nan 0.000 0.444 82 D N -1.647 118.577 120.400 -0.294 0.000 2.527 82 D HA 0.192 4.832 4.640 -0.001 0.000 0.242 82 D C -2.376 173.671 176.300 -0.421 0.000 1.285 82 D CA -1.694 52.132 54.000 -0.290 0.000 0.886 82 D CB 0.841 41.533 40.800 -0.180 0.000 1.402 82 D HN -0.149 nan 8.370 nan 0.000 0.528 83 P HA 0.049 nan 4.420 nan 0.000 0.226 83 P C 1.325 178.348 177.300 -0.461 0.000 1.146 83 P CA 0.731 63.313 63.100 -0.864 0.000 0.773 83 P CB 0.368 31.057 31.700 -1.685 0.000 0.772 84 G N -1.272 107.348 108.800 -0.301 0.000 2.712 84 G HA2 -0.089 3.870 3.960 -0.001 0.000 0.212 84 G HA3 -0.089 3.870 3.960 -0.001 0.000 0.212 84 G C 0.584 175.424 174.900 -0.101 0.000 1.142 84 G CA 0.187 45.200 45.100 -0.146 0.000 0.789 84 G HN 0.185 nan 8.290 nan 0.000 0.535 85 K N 0.856 121.170 120.400 -0.143 0.000 2.307 85 K HA 0.490 4.809 4.320 -0.001 0.000 0.263 85 K C -0.548 175.985 176.600 -0.111 0.000 0.973 85 K CA -0.819 55.410 56.287 -0.097 0.000 0.846 85 K CB 0.799 33.243 32.500 -0.093 0.000 1.100 85 K HN -0.037 nan 8.250 nan 0.000 0.438 86 I N 6.425 126.972 120.570 -0.038 0.000 2.294 86 I HA 0.022 4.192 4.170 -0.001 0.000 0.295 86 I C 1.182 177.286 176.117 -0.022 0.000 1.098 86 I CA -0.475 60.806 61.300 -0.031 0.000 1.277 86 I CB 0.965 39.030 38.000 0.107 0.000 1.434 86 I HN 0.481 nan 8.210 nan 0.000 0.498 87 V N 6.964 126.822 119.914 -0.093 0.000 2.287 87 V HA -0.143 3.976 4.120 -0.001 0.000 0.248 87 V C 0.578 176.779 176.094 0.179 0.000 1.053 87 V CA 1.548 63.851 62.300 0.004 0.000 1.027 87 V CB -0.516 31.285 31.823 -0.037 0.000 0.646 87 V HN 0.846 nan 8.190 nan 0.000 0.447 88 W N 0.067 121.384 121.300 0.029 0.000 3.146 88 W HA 0.650 5.310 4.660 -0.001 0.000 0.319 88 W C -1.608 174.954 176.519 0.071 0.000 1.258 88 W CA -1.019 56.355 57.345 0.049 0.000 1.189 88 W CB 1.197 30.684 29.460 0.044 0.000 1.412 88 W HN 0.242 nan 8.180 nan 0.000 0.567 89 Q N 1.339 121.437 119.800 0.495 0.000 2.377 89 Q HA 0.451 4.790 4.340 -0.001 0.000 0.279 89 Q C -2.157 174.051 176.000 0.348 0.000 1.049 89 Q CA -0.946 55.017 55.803 0.266 0.000 0.825 89 Q CB 3.303 32.107 28.738 0.110 0.000 1.401 89 Q HN 0.566 nan 8.270 nan 0.000 0.404 90 H N 0.944 120.083 119.070 0.115 0.000 2.646 90 H HA 0.432 4.987 4.556 -0.001 0.000 0.328 90 H C -1.482 173.800 175.328 -0.077 0.000 0.998 90 H CA -0.480 55.606 56.048 0.063 0.000 1.225 90 H CB 1.342 31.181 29.762 0.129 0.000 1.457 90 H HN 0.513 nan 8.280 nan 0.000 0.505 91 K N 7.003 127.114 120.400 -0.482 0.000 2.473 91 K HA 0.280 4.600 4.320 -0.001 0.000 0.246 91 K C -2.629 173.673 176.600 -0.496 0.000 1.011 91 K CA -1.895 54.151 56.287 -0.402 0.000 0.984 91 K CB 1.319 33.696 32.500 -0.206 0.000 1.250 91 K HN 0.513 nan 8.250 nan 0.000 0.454 92 P HA -0.017 nan 4.420 nan 0.000 0.267 92 P C -0.752 176.400 177.300 -0.247 0.000 1.200 92 P CA -0.119 62.771 63.100 -0.350 0.000 0.772 92 P CB 0.569 32.133 31.700 -0.228 0.000 0.855 93 K N 3.354 123.652 120.400 -0.169 0.000 2.316 93 K HA 0.329 4.649 4.320 -0.001 0.000 0.267 93 K C -0.168 176.371 176.600 -0.103 0.000 1.025 93 K CA -0.182 56.035 56.287 -0.117 0.000 0.896 93 K CB 1.367 33.826 32.500 -0.067 0.000 1.124 93 K HN 0.515 nan 8.250 nan 0.000 0.451 94 Q N 1.090 120.838 119.800 -0.086 0.000 2.397 94 Q HA 0.303 4.643 4.340 -0.001 0.000 0.275 94 Q C -0.972 175.096 176.000 0.114 0.000 1.090 94 Q CA -1.042 54.762 55.803 0.001 0.000 0.809 94 Q CB 2.281 31.046 28.738 0.045 0.000 1.362 94 Q HN 0.368 nan 8.270 nan 0.000 0.431 95 D N 1.031 121.500 120.400 0.114 0.000 2.424 95 D HA 0.069 4.708 4.640 -0.001 0.000 0.244 95 D C 0.669 177.072 176.300 0.172 0.000 1.134 95 D CA 0.194 54.259 54.000 0.108 0.000 0.881 95 D CB 1.479 42.314 40.800 0.058 0.000 1.191 95 D HN 0.742 nan 8.370 nan 0.000 0.445 96 A N 2.460 125.367 122.820 0.146 0.000 2.024 96 A HA -0.208 4.112 4.320 -0.001 0.000 0.220 96 A C 2.074 179.654 177.584 -0.006 0.000 1.164 96 A CA 1.839 53.951 52.037 0.126 0.000 0.643 96 A CB -0.484 18.576 19.000 0.101 0.000 0.806 96 A HN 0.589 nan 8.150 nan 0.000 0.451 97 S N -0.806 114.894 115.700 -0.001 0.000 2.465 97 S HA -0.147 4.322 4.470 -0.001 0.000 0.241 97 S C 1.648 176.197 174.600 -0.085 0.000 1.000 97 S CA 1.722 59.900 58.200 -0.037 0.000 0.964 97 S CB -1.158 62.032 63.200 -0.017 0.000 0.763 97 S HN 0.520 nan 8.310 nan 0.000 0.512 98 T N 2.619 117.109 114.554 -0.106 0.000 2.759 98 T HA -0.090 4.259 4.350 -0.001 0.000 0.269 98 T C 1.665 176.202 174.700 -0.273 0.000 1.042 98 T CA 1.628 63.633 62.100 -0.157 0.000 1.140 98 T CB -0.302 68.500 68.868 -0.110 0.000 0.864 98 T HN 0.587 nan 8.240 nan 0.000 0.455 99 K N 1.226 121.377 120.400 -0.415 0.000 2.209 99 K HA 0.073 4.393 4.320 -0.001 0.000 0.204 99 K C 2.580 179.082 176.600 -0.162 0.000 1.048 99 K CA 1.011 57.086 56.287 -0.355 0.000 0.940 99 K CB -0.228 32.063 32.500 -0.348 0.000 0.729 99 K HN 0.301 nan 8.250 nan 0.000 0.451 100 A N 1.286 124.037 122.820 -0.115 0.000 2.070 100 A HA -0.087 4.232 4.320 -0.001 0.000 0.220 100 A C 1.968 179.563 177.584 0.019 0.000 1.159 100 A CA 1.420 53.432 52.037 -0.041 0.000 0.656 100 A CB -0.338 18.643 19.000 -0.032 0.000 0.800 100 A HN 0.198 nan 8.150 nan 0.000 0.453 101 V N -4.012 115.854 119.914 -0.079 0.000 3.271 101 V HA 0.420 4.539 4.120 -0.001 0.000 0.327 101 V C 0.319 176.325 176.094 -0.147 0.000 1.389 101 V CA -0.208 61.973 62.300 -0.199 0.000 1.156 101 V CB -0.843 30.836 31.823 -0.239 0.000 1.103 101 V HN 0.380 nan 8.190 nan 0.000 0.453 102 M N 1.277 120.859 119.600 -0.031 0.000 2.088 102 M HA 0.275 4.755 4.480 -0.001 0.000 0.346 102 M C 1.445 177.783 176.300 0.063 0.000 1.111 102 M CA -0.398 54.888 55.300 -0.023 0.000 1.017 102 M CB 1.487 34.056 32.600 -0.052 0.000 1.568 102 M HN 0.566 nan 8.290 nan 0.000 0.445 103 C N 1.066 120.400 119.300 0.057 0.000 2.429 103 C HA -0.033 4.427 4.460 -0.001 0.000 0.277 103 C C 1.042 175.931 174.990 -0.168 0.000 1.262 103 C CA 0.198 59.236 59.018 0.034 0.000 1.733 103 C CB -0.747 26.969 27.740 -0.040 0.000 2.010 103 C HN 0.867 nan 8.230 nan 0.000 0.483 104 C N 2.104 121.316 119.300 -0.146 0.000 3.290 104 C HA 0.583 5.043 4.460 -0.001 0.000 0.206 104 C C -0.537 174.500 174.990 0.079 0.000 1.639 104 C CA -0.485 58.462 59.018 -0.117 0.000 1.408 104 C CB -2.227 25.378 27.740 -0.225 0.000 2.197 104 C HN 0.819 nan 8.230 nan 0.000 0.508 105 D N 0.311 120.807 120.400 0.160 0.000 10.746 105 D HA -0.175 4.464 4.640 -0.001 0.000 0.347 105 D C 0.171 176.588 176.300 0.195 0.000 3.135 105 D CA 1.028 55.219 54.000 0.317 0.000 2.657 105 D CB 0.168 41.133 40.800 0.275 0.000 1.219 105 D HN 0.766 nan 8.370 nan 0.000 0.943 106 V N 0.330 120.370 119.914 0.209 0.000 2.800 106 V HA 0.443 4.562 4.120 -0.001 0.000 0.365 106 V C 1.018 177.214 176.094 0.171 0.000 1.527 106 V CA 0.115 62.502 62.300 0.145 0.000 1.623 106 V CB -0.616 31.280 31.823 0.120 0.000 1.407 106 V HN 0.628 nan 8.190 nan 0.000 0.527 107 V N -0.972 119.039 119.914 0.162 0.000 3.083 107 V HA 0.676 4.796 4.120 -0.001 0.000 0.306 107 V C -0.141 176.067 176.094 0.189 0.000 1.077 107 V CA -0.274 62.131 62.300 0.174 0.000 1.073 107 V CB 1.684 33.641 31.823 0.222 0.000 1.081 107 V HN 0.607 nan 8.190 nan 0.000 0.474 108 D N 1.269 121.803 120.400 0.222 0.000 2.736 108 D HA 0.353 4.993 4.640 -0.001 0.000 0.243 108 D C 0.441 176.960 176.300 0.364 0.000 1.304 108 D CA -0.604 53.552 54.000 0.261 0.000 0.934 108 D CB 1.969 42.946 40.800 0.294 0.000 1.382 108 D HN 0.615 nan 8.370 nan 0.000 0.571 109 R N 1.881 122.533 120.500 0.252 0.000 2.319 109 R HA 0.405 4.745 4.340 -0.001 0.000 0.204 109 R C 0.971 177.408 176.300 0.229 0.000 0.954 109 R CA 0.295 56.581 56.100 0.309 0.000 1.066 109 R CB 0.259 30.622 30.300 0.106 0.000 0.991 109 R HN 0.576 nan 8.270 nan 0.000 0.486 110 G N 0.285 108.968 108.800 -0.195 0.000 2.381 110 G HA2 -0.084 3.876 3.960 -0.001 0.000 0.672 110 G HA3 -0.084 3.876 3.960 -0.001 0.000 0.672 110 G C -1.019 173.732 174.900 -0.248 0.000 1.324 110 G CA -1.119 43.646 45.100 -0.557 0.000 0.975 110 G HN 0.014 nan 8.290 nan 0.000 0.593 111 L N 0.140 121.266 121.223 -0.162 0.000 2.400 111 L HA 0.868 5.207 4.340 -0.001 0.000 0.264 111 L C 0.993 177.896 176.870 0.055 0.000 1.061 111 L CA -0.348 54.478 54.840 -0.023 0.000 0.799 111 L CB 1.483 43.553 42.059 0.019 0.000 1.240 111 L HN 1.279 nan 8.230 nan 0.000 0.461 112 A N 0.204 123.041 122.820 0.028 0.000 2.486 112 A HA 0.778 5.097 4.320 -0.001 0.000 0.289 112 A C -1.956 175.653 177.584 0.041 0.000 1.176 112 A CA -0.386 51.672 52.037 0.035 0.000 0.757 112 A CB 1.679 20.676 19.000 -0.004 0.000 1.337 112 A HN 0.602 nan 8.150 nan 0.000 0.423 113 Y N -0.887 119.340 120.300 -0.120 0.000 2.513 113 Y HA 0.596 5.145 4.550 -0.001 0.000 0.340 113 Y C -0.206 175.625 175.900 -0.116 0.000 1.055 113 Y CA 0.190 58.210 58.100 -0.134 0.000 1.020 113 Y CB 2.062 40.447 38.460 -0.124 0.000 1.301 113 Y HN 1.402 nan 8.280 nan 0.000 0.453 114 G N 2.330 110.653 108.800 -0.796 0.000 2.633 114 G HA2 0.570 4.530 3.960 -0.001 0.000 0.299 114 G HA3 0.570 4.530 3.960 -0.001 0.000 0.299 114 G C -0.508 174.064 174.900 -0.546 0.000 1.501 114 G CA -0.307 44.484 45.100 -0.515 0.000 0.887 114 G HN 1.624 nan 8.290 nan 0.000 0.561 115 A N -0.277 122.341 122.820 -0.337 0.000 2.640 115 A HA 0.338 4.658 4.320 -0.001 0.000 0.300 115 A C 2.282 179.702 177.584 -0.272 0.000 1.499 115 A CA 2.102 54.010 52.037 -0.215 0.000 0.759 115 A CB -1.335 17.587 19.000 -0.130 0.000 1.048 115 A HN 3.122 nan 8.150 nan 0.000 0.450 116 G N -2.028 106.547 108.800 -0.376 0.000 2.203 116 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.263 116 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.263 116 G C -0.078 174.647 174.900 -0.291 0.000 1.012 116 G CA 1.217 46.190 45.100 -0.211 0.000 0.749 116 G HN 1.536 nan 8.290 nan 0.000 0.512 117 Q N -0.918 118.541 119.800 -0.567 0.000 2.394 117 Q HA 0.665 5.005 4.340 -0.001 0.000 0.273 117 Q C -0.255 175.490 176.000 -0.424 0.000 1.089 117 Q CA -1.171 54.387 55.803 -0.409 0.000 0.812 117 Q CB 2.049 30.565 28.738 -0.370 0.000 1.353 117 Q HN 0.144 nan 8.270 nan 0.000 0.438 118 I N 2.335 122.748 120.570 -0.262 0.000 2.325 118 I HA 0.200 4.370 4.170 -0.001 0.000 0.291 118 I C -0.425 175.547 176.117 -0.242 0.000 1.019 118 I CA -0.408 60.776 61.300 -0.193 0.000 1.302 118 I CB 1.306 39.230 38.000 -0.126 0.000 1.401 118 I HN 0.390 nan 8.210 nan 0.000 0.485 119 V N 8.333 128.123 119.914 -0.207 0.000 2.364 119 V HA 0.348 4.468 4.120 -0.001 0.000 0.272 119 V C 0.198 176.198 176.094 -0.157 0.000 1.036 119 V CA -0.614 61.541 62.300 -0.240 0.000 0.880 119 V CB 1.060 32.776 31.823 -0.177 0.000 0.991 119 V HN 0.782 nan 8.190 nan 0.000 0.460 120 K N 4.336 124.624 120.400 -0.188 0.000 2.435 120 K HA 0.893 5.212 4.320 -0.001 0.000 0.251 120 K C -1.020 175.529 176.600 -0.086 0.000 0.954 120 K CA -1.185 55.045 56.287 -0.096 0.000 0.820 120 K CB 2.652 35.122 32.500 -0.050 0.000 1.292 120 K HN 0.438 nan 8.250 nan 0.000 0.436 121 K N 0.585 120.975 120.400 -0.017 0.000 2.331 121 K HA 0.416 4.735 4.320 -0.001 0.000 0.238 121 K C -0.942 175.691 176.600 0.055 0.000 1.058 121 K CA -0.741 55.554 56.287 0.014 0.000 0.871 121 K CB 1.245 33.763 32.500 0.029 0.000 1.292 121 K HN 0.650 nan 8.250 nan 0.000 0.470 122 Q N -0.682 119.162 119.800 0.073 0.000 2.397 122 Q HA 0.557 4.897 4.340 -0.001 0.000 0.275 122 Q C 0.183 176.249 176.000 0.110 0.000 1.090 122 Q CA -0.847 55.001 55.803 0.075 0.000 0.809 122 Q CB 2.137 30.884 28.738 0.015 0.000 1.362 122 Q HN 0.760 nan 8.270 nan 0.000 0.431 123 A N 1.918 124.846 122.820 0.180 0.000 1.978 123 A HA -0.225 4.095 4.320 -0.001 0.000 0.220 123 A C 1.425 179.087 177.584 0.132 0.000 1.170 123 A CA 2.126 54.278 52.037 0.192 0.000 0.636 123 A CB -0.635 18.554 19.000 0.315 0.000 0.810 123 A HN 0.847 nan 8.150 nan 0.000 0.448 124 N N -0.695 118.077 118.700 0.121 0.000 2.575 124 N HA 0.187 4.927 4.740 -0.001 0.000 0.192 124 N C 0.977 176.544 175.510 0.095 0.000 1.200 124 N CA 1.362 54.450 53.050 0.063 0.000 0.897 124 N CB -0.516 37.962 38.487 -0.014 0.000 0.990 124 N HN 0.875 nan 8.380 nan 0.000 0.449 125 G N -1.101 107.772 108.800 0.123 0.000 2.176 125 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.232 125 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.232 125 G C -0.355 174.681 174.900 0.227 0.000 0.986 125 G CA -0.063 45.135 45.100 0.163 0.000 0.643 125 G HN 0.647 nan 8.290 nan 0.000 0.522 126 H N -0.607 118.474 119.070 0.019 0.000 2.582 126 H HA 0.528 5.083 4.556 -0.001 0.000 0.345 126 H C -0.448 174.854 175.328 -0.043 0.000 1.104 126 H CA -0.341 55.702 56.048 -0.009 0.000 1.390 126 H CB 2.015 31.782 29.762 0.008 0.000 1.461 126 H HN 0.210 nan 8.280 nan 0.000 0.551 127 L N 3.933 125.166 121.223 0.016 0.000 2.362 127 L HA 0.372 4.711 4.340 -0.001 0.000 0.275 127 L C -1.724 175.082 176.870 -0.108 0.000 0.998 127 L CA -0.509 54.289 54.840 -0.069 0.000 0.820 127 L CB 1.197 43.148 42.059 -0.180 0.000 1.270 127 L HN 0.399 nan 8.230 nan 0.000 0.415 128 L N 4.354 125.383 121.223 -0.324 0.000 2.350 128 L HA 0.953 5.292 4.340 -0.001 0.000 0.260 128 L C -0.504 175.752 176.870 -1.024 0.000 1.015 128 L CA -0.556 53.908 54.840 -0.628 0.000 0.821 128 L CB 2.019 43.828 42.059 -0.417 0.000 1.370 128 L HN 0.688 nan 8.230 nan 0.000 0.416 129 A N 2.009 123.971 122.820 -1.430 0.000 2.311 129 A HA 0.867 5.187 4.320 -0.001 0.000 0.306 129 A C -1.371 175.747 177.584 -0.777 0.000 1.189 129 A CA -0.309 51.003 52.037 -1.208 0.000 0.791 129 A CB 0.572 18.542 19.000 -1.716 0.000 1.172 129 A HN 0.467 nan 8.150 nan 0.000 0.481 130 L N 1.578 122.471 121.223 -0.550 0.000 2.346 130 L HA 0.412 4.751 4.340 -0.001 0.000 0.274 130 L C 0.087 176.710 176.870 -0.412 0.000 1.007 130 L CA -0.313 54.232 54.840 -0.492 0.000 0.818 130 L CB 1.784 43.536 42.059 -0.512 0.000 1.284 130 L HN 0.806 nan 8.230 nan 0.000 0.424 131 D N 1.381 121.538 120.400 -0.406 0.000 2.493 131 D HA 0.194 4.834 4.640 -0.001 0.000 0.240 131 D C 1.023 177.182 176.300 -0.235 0.000 1.142 131 D CA 0.623 54.449 54.000 -0.289 0.000 0.872 131 D CB 1.285 41.929 40.800 -0.260 0.000 1.173 131 D HN 0.681 nan 8.370 nan 0.000 0.467 132 A N 4.245 127.045 122.820 -0.033 0.000 2.019 132 A HA -0.164 4.156 4.320 -0.001 0.000 0.219 132 A C 1.812 179.690 177.584 0.489 0.000 1.164 132 A CA 1.221 53.393 52.037 0.225 0.000 0.644 132 A CB -0.167 18.991 19.000 0.264 0.000 0.805 132 A HN 0.672 nan 8.150 nan 0.000 0.449 133 K N -1.290 119.251 120.400 0.236 0.000 2.242 133 K HA -0.010 4.310 4.320 -0.001 0.000 0.200 133 K C 1.926 178.615 176.600 0.148 0.000 1.050 133 K CA 1.420 57.866 56.287 0.265 0.000 0.981 133 K CB 0.065 32.646 32.500 0.136 0.000 0.795 133 K HN 0.633 nan 8.250 nan 0.000 0.477 134 T N -3.783 110.649 114.554 -0.203 0.000 2.990 134 T HA 0.209 4.559 4.350 -0.001 0.000 0.249 134 T C 1.468 175.583 174.700 -0.976 0.000 1.039 134 T CA 0.568 62.443 62.100 -0.376 0.000 1.036 134 T CB 0.784 69.513 68.868 -0.231 0.000 0.994 134 T HN 0.273 nan 8.240 nan 0.000 0.489 135 G N 1.835 109.705 108.800 -1.551 0.000 2.176 135 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.253 135 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.253 135 G C 0.004 174.370 174.900 -0.890 0.000 0.979 135 G CA 0.300 44.182 45.100 -2.030 0.000 0.641 135 G HN 0.875 nan 8.290 nan 0.000 0.530 136 K N 0.848 120.902 120.400 -0.578 0.000 2.451 136 K HA 0.354 4.674 4.320 -0.001 0.000 0.280 136 K C 0.705 177.088 176.600 -0.362 0.000 1.020 136 K CA -0.436 55.637 56.287 -0.357 0.000 1.008 136 K CB 0.038 32.389 32.500 -0.249 0.000 0.917 136 K HN 0.283 nan 8.250 nan 0.000 0.478 137 I N 5.427 125.820 120.570 -0.296 0.000 2.436 137 I HA -0.070 4.099 4.170 -0.001 0.000 0.289 137 I C 0.952 176.930 176.117 -0.231 0.000 1.083 137 I CA -0.359 60.757 61.300 -0.307 0.000 1.372 137 I CB 0.658 38.515 38.000 -0.238 0.000 1.408 137 I HN 0.700 nan 8.210 nan 0.000 0.516 138 N N 6.854 125.383 118.700 -0.285 0.000 2.368 138 N HA 0.050 4.789 4.740 -0.001 0.000 0.176 138 N C -0.424 175.102 175.510 0.027 0.000 1.021 138 N CA 0.732 53.694 53.050 -0.146 0.000 0.888 138 N CB 0.358 38.752 38.487 -0.155 0.000 0.995 138 N HN 0.690 nan 8.380 nan 0.000 0.437 139 W N -0.387 120.825 121.300 -0.146 0.000 3.275 139 W HA 0.553 5.212 4.660 -0.001 0.000 0.306 139 W C -1.533 174.892 176.519 -0.156 0.000 1.259 139 W CA -0.600 56.662 57.345 -0.138 0.000 1.194 139 W CB 0.790 30.169 29.460 -0.134 0.000 1.375 139 W HN -0.245 nan 8.180 nan 0.000 0.564 140 E N 2.140 122.487 120.200 0.245 0.000 2.294 140 E HA 0.466 4.816 4.350 -0.001 0.000 0.272 140 E C -1.610 175.020 176.600 0.050 0.000 0.896 140 E CA -0.537 55.922 56.400 0.098 0.000 0.802 140 E CB 2.417 32.118 29.700 0.001 0.000 1.267 140 E HN 0.558 nan 8.360 nan 0.000 0.406 141 V N 0.462 120.390 119.914 0.023 0.000 3.074 141 V HA 0.625 4.745 4.120 -0.001 0.000 0.314 141 V C -0.454 175.511 176.094 -0.214 0.000 1.117 141 V CA -0.960 61.267 62.300 -0.123 0.000 1.014 141 V CB 1.874 33.607 31.823 -0.150 0.000 1.057 141 V HN 0.648 nan 8.190 nan 0.000 0.438 142 E N 0.882 120.966 120.200 -0.193 0.000 2.259 142 E HA 0.514 4.864 4.350 -0.001 0.000 0.281 142 E C -0.140 176.446 176.600 -0.024 0.000 1.027 142 E CA -0.444 55.881 56.400 -0.125 0.000 0.838 142 E CB 2.102 31.751 29.700 -0.086 0.000 1.066 142 E HN 0.586 nan 8.360 nan 0.000 0.401 143 V N 1.419 121.347 119.914 0.023 0.000 3.359 143 V HA 0.080 4.199 4.120 -0.001 0.000 0.245 143 V C 0.135 176.298 176.094 0.115 0.000 1.247 143 V CA 0.259 62.619 62.300 0.100 0.000 1.145 143 V CB 0.725 32.582 31.823 0.056 0.000 0.906 143 V HN 0.721 nan 8.190 nan 0.000 0.464 144 c N 0.237 118.897 118.600 0.100 0.000 2.898 144 c HA 0.671 5.240 4.570 -0.001 0.000 0.304 144 c C -0.900 173.243 174.090 0.089 0.000 1.237 144 c CA -0.834 55.553 56.329 0.096 0.000 1.529 144 c CB 1.723 44.288 42.510 0.093 0.000 2.021 144 c HN 0.439 nan 8.230 nan 0.000 0.474 145 D N 1.287 121.730 120.400 0.071 0.000 2.441 145 D HA 0.395 5.035 4.640 -0.001 0.000 0.231 145 D C -1.810 174.509 176.300 0.031 0.000 1.073 145 D CA -2.007 52.027 54.000 0.056 0.000 0.850 145 D CB 1.494 42.322 40.800 0.047 0.000 1.062 145 D HN 0.138 nan 8.370 nan 0.000 0.524 146 P HA -0.100 nan 4.420 nan 0.000 0.221 146 P C 0.798 178.077 177.300 -0.035 0.000 1.145 146 P CA 1.031 64.124 63.100 -0.012 0.000 0.795 146 P CB 0.280 31.977 31.700 -0.006 0.000 0.775 147 K N -0.472 119.916 120.400 -0.019 0.000 2.360 147 K HA -0.041 4.278 4.320 -0.001 0.000 0.201 147 K C 1.331 177.900 176.600 -0.053 0.000 1.046 147 K CA 1.322 57.588 56.287 -0.035 0.000 0.945 147 K CB -0.285 32.205 32.500 -0.018 0.000 0.750 147 K HN 0.196 nan 8.250 nan 0.000 0.464 148 V N -3.841 116.050 119.914 -0.037 0.000 3.319 148 V HA 0.431 4.551 4.120 -0.001 0.000 0.317 148 V C 0.732 176.797 176.094 -0.049 0.000 1.411 148 V CA 0.124 62.402 62.300 -0.036 0.000 1.112 148 V CB 0.032 31.862 31.823 0.011 0.000 1.031 148 V HN 0.312 nan 8.190 nan 0.000 0.448 149 G N 0.205 108.952 108.800 -0.089 0.000 2.141 149 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.242 149 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.242 149 G C 0.197 175.047 174.900 -0.084 0.000 0.982 149 G CA 0.362 45.377 45.100 -0.141 0.000 0.662 149 G HN 1.059 nan 8.290 nan 0.000 0.527 150 S N 0.580 116.265 115.700 -0.025 0.000 2.442 150 S HA 0.797 5.267 4.470 -0.001 0.000 0.297 150 S C 0.451 175.063 174.600 0.020 0.000 1.131 150 S CA 0.872 59.082 58.200 0.017 0.000 1.092 150 S CB 1.070 64.303 63.200 0.055 0.000 0.998 150 S HN 1.331 nan 8.310 nan 0.000 0.478 151 T N 2.410 116.979 114.554 0.025 0.000 2.804 151 T HA 0.683 5.033 4.350 -0.001 0.000 0.290 151 T C -0.915 173.826 174.700 0.068 0.000 1.099 151 T CA -0.928 61.195 62.100 0.038 0.000 1.011 151 T CB 0.765 69.636 68.868 0.006 0.000 1.291 151 T HN 0.468 nan 8.240 nan 0.000 0.523 152 L N 1.440 122.712 121.223 0.082 0.000 2.356 152 L HA 0.601 4.940 4.340 -0.001 0.000 0.277 152 L C 0.942 177.876 176.870 0.107 0.000 0.996 152 L CA -0.592 54.308 54.840 0.099 0.000 0.822 152 L CB 2.376 44.493 42.059 0.097 0.000 1.256 152 L HN 1.195 nan 8.230 nan 0.000 0.413 153 T N -2.287 112.337 114.554 0.117 0.000 3.168 153 T HA 0.052 4.402 4.350 -0.001 0.000 0.261 153 T C 0.431 175.201 174.700 0.117 0.000 0.931 153 T CA -0.341 61.836 62.100 0.128 0.000 0.949 153 T CB 0.100 69.043 68.868 0.125 0.000 1.229 153 T HN 0.536 nan 8.240 nan 0.000 0.504 154 Q N 1.862 121.725 119.800 0.105 0.000 2.492 154 Q HA 0.629 4.969 4.340 -0.001 0.000 0.238 154 Q C 0.019 176.023 176.000 0.007 0.000 1.045 154 Q CA -0.532 55.263 55.803 -0.013 0.000 0.934 154 Q CB 0.435 29.150 28.738 -0.038 0.000 1.276 154 Q HN 0.437 nan 8.270 nan 0.000 0.521 155 A N 2.209 125.000 122.820 -0.049 0.000 2.388 155 A HA 0.487 4.806 4.320 -0.001 0.000 0.257 155 A C -2.229 175.464 177.584 0.181 0.000 1.095 155 A CA -1.496 50.598 52.037 0.094 0.000 0.791 155 A CB -0.097 19.043 19.000 0.233 0.000 1.029 155 A HN 0.668 nan 8.150 nan 0.000 0.489 156 P HA 0.378 nan 4.420 nan 0.000 0.274 156 P C -0.963 176.446 177.300 0.183 0.000 1.246 156 P CA 0.020 63.193 63.100 0.122 0.000 0.795 156 P CB 0.359 32.080 31.700 0.036 0.000 1.006 157 F N 1.033 120.906 119.950 -0.129 0.000 2.536 157 F HA 0.439 4.965 4.527 -0.001 0.000 0.322 157 F C -1.216 174.451 175.800 -0.221 0.000 1.144 157 F CA -0.756 57.145 58.000 -0.165 0.000 0.924 157 F CB 1.210 39.955 39.000 -0.424 0.000 1.181 157 F HN -0.076 nan 8.300 nan 0.000 0.438 158 V N 5.275 124.882 119.914 -0.511 0.000 2.427 158 V HA 0.856 4.975 4.120 -0.001 0.000 0.286 158 V C -0.362 175.487 176.094 -0.410 0.000 1.034 158 V CA -0.488 61.599 62.300 -0.354 0.000 0.893 158 V CB 1.157 32.847 31.823 -0.221 0.000 0.982 158 V HN 0.933 nan 8.190 nan 0.000 0.452 159 A N 4.671 127.303 122.820 -0.313 0.000 2.437 159 A HA 0.725 5.044 4.320 -0.001 0.000 0.293 159 A C 0.005 177.413 177.584 -0.294 0.000 1.038 159 A CA -0.581 51.212 52.037 -0.407 0.000 0.708 159 A CB 1.093 19.620 19.000 -0.789 0.000 1.251 159 A HN 0.766 nan 8.150 nan 0.000 0.409 160 K N 0.351 120.646 120.400 -0.175 0.000 1.779 160 K HA -0.207 4.112 4.320 -0.001 0.000 0.128 160 K C -0.581 175.971 176.600 -0.081 0.000 1.288 160 K CA 1.852 58.090 56.287 -0.083 0.000 0.398 160 K CB -0.803 31.658 32.500 -0.064 0.000 0.609 160 K HN 0.723 nan 8.250 nan 0.000 0.874 161 D N 1.426 121.780 120.400 -0.077 0.000 2.491 161 D HA 0.178 4.818 4.640 -0.001 0.000 0.228 161 D C -0.597 175.638 176.300 -0.109 0.000 1.183 161 D CA 0.420 54.374 54.000 -0.077 0.000 0.827 161 D CB 0.413 41.178 40.800 -0.059 0.000 0.989 161 D HN 0.205 nan 8.370 nan 0.000 0.494 162 T N -0.222 114.244 114.554 -0.147 0.000 2.863 162 T HA 0.473 4.822 4.350 -0.001 0.000 0.285 162 T C -0.161 174.419 174.700 -0.200 0.000 1.009 162 T CA -0.564 61.417 62.100 -0.199 0.000 0.989 162 T CB 2.696 71.415 68.868 -0.250 0.000 1.004 162 T HN -0.311 nan 8.240 nan 0.000 0.455 163 V N 4.247 124.061 119.914 -0.166 0.000 2.378 163 V HA 0.433 4.553 4.120 -0.001 0.000 0.288 163 V C -0.307 175.683 176.094 -0.172 0.000 1.016 163 V CA -0.800 61.438 62.300 -0.105 0.000 0.840 163 V CB 1.173 33.034 31.823 0.065 0.000 0.994 163 V HN 0.701 nan 8.190 nan 0.000 0.431 164 L N 5.664 126.708 121.223 -0.298 0.000 2.292 164 L HA 0.711 5.051 4.340 -0.001 0.000 0.284 164 L C -0.310 176.440 176.870 -0.200 0.000 1.065 164 L CA -0.227 54.343 54.840 -0.449 0.000 0.806 164 L CB 1.428 42.926 42.059 -0.935 0.000 1.175 164 L HN 0.619 nan 8.230 nan 0.000 0.431 165 M N 2.565 122.140 119.600 -0.042 0.000 2.277 165 M HA 0.620 5.099 4.480 -0.001 0.000 0.282 165 M C -0.785 175.585 176.300 0.116 0.000 1.074 165 M CA -0.131 55.234 55.300 0.109 0.000 0.954 165 M CB 2.147 34.841 32.600 0.158 0.000 1.672 165 M HN 0.446 nan 8.290 nan 0.000 0.471 166 G N 3.144 112.033 108.800 0.148 0.000 2.513 166 G HA2 0.631 4.590 3.960 -0.001 0.000 0.317 166 G HA3 0.631 4.590 3.960 -0.001 0.000 0.317 166 G C -0.973 174.013 174.900 0.143 0.000 1.277 166 G CA -0.558 44.611 45.100 0.115 0.000 0.955 166 G HN 0.926 nan 8.290 nan 0.000 0.484 167 c N 0.642 119.323 118.600 0.137 0.000 2.520 167 c HA 0.694 5.264 4.570 -0.001 0.000 0.376 167 c C 1.043 175.243 174.090 0.183 0.000 1.268 167 c CA -0.320 56.095 56.329 0.143 0.000 2.414 167 c CB 0.858 43.442 42.510 0.123 0.000 2.521 167 c HN 0.671 nan 8.230 nan 0.000 0.618 168 S N -0.193 115.592 115.700 0.142 0.000 2.638 168 S HA 0.778 5.248 4.470 -0.001 0.000 0.298 168 S C 0.658 175.289 174.600 0.053 0.000 1.111 168 S CA 0.383 58.645 58.200 0.103 0.000 1.027 168 S CB 1.572 64.770 63.200 -0.003 0.000 1.064 168 S HN 1.320 nan 8.310 nan 0.000 0.525 169 G N -0.182 108.636 108.800 0.029 0.000 2.407 169 G HA2 0.068 4.028 3.960 -0.001 0.000 0.210 169 G HA3 0.068 4.028 3.960 -0.001 0.000 0.210 169 G C 0.625 175.582 174.900 0.095 0.000 1.015 169 G CA 0.231 45.343 45.100 0.019 0.000 0.807 169 G HN 0.828 nan 8.290 nan 0.000 0.539 170 A N 0.341 123.261 122.820 0.166 0.000 2.019 170 A HA 0.136 4.456 4.320 -0.001 0.000 0.219 170 A C 1.872 179.624 177.584 0.280 0.000 1.164 170 A CA 2.216 54.408 52.037 0.258 0.000 0.644 170 A CB -0.186 19.014 19.000 0.334 0.000 0.805 170 A HN 0.379 nan 8.150 nan 0.000 0.449 171 E N -0.964 119.370 120.200 0.224 0.000 2.472 171 E HA 0.017 4.367 4.350 -0.001 0.000 0.200 171 E C 0.550 177.250 176.600 0.168 0.000 1.046 171 E CA 0.537 57.062 56.400 0.209 0.000 0.871 171 E CB -0.086 29.724 29.700 0.184 0.000 0.806 171 E HN 0.570 nan 8.360 nan 0.000 0.533 172 L N -1.625 119.658 121.223 0.099 0.000 3.066 172 L HA 0.366 4.705 4.340 -0.001 0.000 0.265 172 L C 1.134 178.151 176.870 0.246 0.000 1.232 172 L CA 0.189 55.058 54.840 0.047 0.000 1.031 172 L CB 0.778 42.695 42.059 -0.237 0.000 1.379 172 L HN 0.098 nan 8.230 nan 0.000 0.563 173 G N -0.215 108.798 108.800 0.355 0.000 2.153 173 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.252 173 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.252 173 G C 0.347 175.321 174.900 0.123 0.000 0.994 173 G CA 0.222 45.496 45.100 0.291 0.000 0.698 173 G HN 0.143 nan 8.290 nan 0.000 0.521 174 V N 0.901 120.904 119.914 0.148 0.000 2.585 174 V HA 0.196 4.315 4.120 -0.001 0.000 0.296 174 V C 1.349 177.537 176.094 0.157 0.000 1.035 174 V CA 0.232 62.608 62.300 0.127 0.000 1.084 174 V CB 1.136 33.034 31.823 0.125 0.000 0.953 174 V HN 0.518 nan 8.190 nan 0.000 0.483 175 R N 4.124 124.710 120.500 0.143 0.000 2.248 175 R HA 0.393 4.732 4.340 -0.001 0.000 0.328 175 R C 0.567 177.052 176.300 0.308 0.000 1.067 175 R CA -0.101 56.119 56.100 0.200 0.000 0.924 175 R CB 0.364 30.747 30.300 0.138 0.000 1.013 175 R HN 0.907 nan 8.270 nan 0.000 0.454 176 G N 2.215 111.204 108.800 0.315 0.000 2.594 176 G HA2 0.446 4.405 3.960 -0.001 0.000 0.243 176 G HA3 0.446 4.405 3.960 -0.001 0.000 0.243 176 G C -0.969 174.093 174.900 0.270 0.000 1.229 176 G CA 0.069 45.346 45.100 0.296 0.000 0.843 176 G HN 0.816 nan 8.290 nan 0.000 0.578 177 A N 0.036 122.921 122.820 0.107 0.000 2.594 177 A HA 0.534 4.853 4.320 -0.001 0.000 0.296 177 A C -1.022 176.489 177.584 -0.122 0.000 1.056 177 A CA -0.375 51.593 52.037 -0.116 0.000 0.693 177 A CB 1.517 20.178 19.000 -0.565 0.000 1.278 177 A HN 1.876 nan 8.150 nan 0.000 0.408 178 V N 2.254 122.067 119.914 -0.169 0.000 2.383 178 V HA 0.497 4.617 4.120 -0.001 0.000 0.275 178 V C -0.443 175.523 176.094 -0.214 0.000 1.036 178 V CA -0.446 61.747 62.300 -0.179 0.000 0.889 178 V CB 0.579 32.240 31.823 -0.271 0.000 0.985 178 V HN 0.857 nan 8.190 nan 0.000 0.459 179 N N 5.481 124.023 118.700 -0.264 0.000 2.456 179 N HA 0.751 5.491 4.740 -0.001 0.000 0.288 179 N C -0.600 174.449 175.510 -0.768 0.000 1.059 179 N CA -0.190 52.568 53.050 -0.487 0.000 0.946 179 N CB 1.827 40.144 38.487 -0.283 0.000 1.150 179 N HN 0.896 nan 8.380 nan 0.000 0.479 180 A N 1.892 123.926 122.820 -1.310 0.000 2.318 180 A HA 0.742 5.062 4.320 -0.001 0.000 0.324 180 A C -1.286 175.501 177.584 -1.328 0.000 1.170 180 A CA -0.518 50.690 52.037 -1.381 0.000 0.810 180 A CB 0.150 17.777 19.000 -2.288 0.000 1.198 180 A HN 0.590 nan 8.150 nan 0.000 0.484 181 F N 0.583 120.207 119.950 -0.545 0.000 2.577 181 F HA 0.343 4.870 4.527 -0.001 0.000 0.318 181 F C 0.366 175.919 175.800 -0.411 0.000 1.065 181 F CA -0.724 57.001 58.000 -0.459 0.000 0.929 181 F CB 1.623 40.380 39.000 -0.405 0.000 1.237 181 F HN 0.581 nan 8.300 nan 0.000 0.468 182 D N 2.118 122.370 120.400 -0.246 0.000 2.371 182 D HA 0.008 4.648 4.640 -0.001 0.000 0.256 182 D C 0.987 177.154 176.300 -0.222 0.000 1.193 182 D CA 0.012 53.865 54.000 -0.244 0.000 0.881 182 D CB 1.233 41.873 40.800 -0.267 0.000 1.143 182 D HN 0.585 nan 8.370 nan 0.000 0.473 183 L N 5.609 126.786 121.223 -0.076 0.000 2.127 183 L HA -0.132 4.208 4.340 -0.001 0.000 0.211 183 L C 2.136 179.126 176.870 0.200 0.000 1.089 183 L CA 1.745 56.637 54.840 0.086 0.000 0.757 183 L CB -0.362 41.701 42.059 0.006 0.000 0.899 183 L HN 0.458 nan 8.230 nan 0.000 0.434 184 K N -1.677 118.741 120.400 0.031 0.000 2.166 184 K HA -0.049 4.270 4.320 -0.001 0.000 0.201 184 K C 1.625 178.221 176.600 -0.007 0.000 1.052 184 K CA 1.425 57.750 56.287 0.064 0.000 0.969 184 K CB 0.083 32.574 32.500 -0.015 0.000 0.761 184 K HN 0.538 nan 8.250 nan 0.000 0.459 185 T N -4.704 109.643 114.554 -0.346 0.000 2.959 185 T HA 0.246 4.596 4.350 -0.001 0.000 0.254 185 T C 1.223 175.208 174.700 -1.192 0.000 1.003 185 T CA 0.513 62.294 62.100 -0.532 0.000 0.950 185 T CB 0.810 69.495 68.868 -0.306 0.000 1.090 185 T HN 0.300 nan 8.240 nan 0.000 0.503 186 G N 1.506 109.277 108.800 -1.715 0.000 2.159 186 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.256 186 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.256 186 G C -0.168 174.298 174.900 -0.723 0.000 0.977 186 G CA 0.264 44.144 45.100 -2.035 0.000 0.652 186 G HN 0.859 nan 8.290 nan 0.000 0.531 187 E N 0.026 119.942 120.200 -0.473 0.000 2.392 187 E HA 0.375 4.725 4.350 -0.001 0.000 0.264 187 E C 0.509 177.001 176.600 -0.179 0.000 1.024 187 E CA -0.808 55.447 56.400 -0.242 0.000 0.903 187 E CB 0.374 29.943 29.700 -0.220 0.000 0.963 187 E HN 0.369 nan 8.360 nan 0.000 0.432 188 L N 4.991 126.118 121.223 -0.161 0.000 2.410 188 L HA 0.067 4.406 4.340 -0.001 0.000 0.273 188 L C 0.595 177.226 176.870 -0.398 0.000 1.144 188 L CA 0.691 55.283 54.840 -0.413 0.000 0.863 188 L CB 0.569 42.443 42.059 -0.309 0.000 1.140 188 L HN 0.595 nan 8.230 nan 0.000 0.463 189 K N 5.585 125.635 120.400 -0.583 0.000 2.141 189 K HA 0.182 4.501 4.320 -0.001 0.000 0.202 189 K C -0.641 175.804 176.600 -0.259 0.000 1.045 189 K CA 1.100 57.129 56.287 -0.429 0.000 0.971 189 K CB 0.248 32.396 32.500 -0.588 0.000 0.795 189 K HN 0.791 nan 8.250 nan 0.000 0.459 190 W N 0.313 121.419 121.300 -0.322 0.000 2.946 190 W HA 0.277 4.937 4.660 -0.001 0.000 0.364 190 W C -2.006 174.302 176.519 -0.351 0.000 1.134 190 W CA -1.056 56.127 57.345 -0.270 0.000 1.140 190 W CB 0.307 29.650 29.460 -0.196 0.000 1.463 190 W HN -0.122 nan 8.180 nan 0.000 0.564 191 R N 1.046 121.648 120.500 0.170 0.000 2.584 191 R HA 0.794 5.133 4.340 -0.001 0.000 0.276 191 R C -1.456 174.817 176.300 -0.046 0.000 1.046 191 R CA -0.771 55.297 56.100 -0.052 0.000 0.906 191 R CB 2.039 32.094 30.300 -0.407 0.000 1.215 191 R HN 0.715 nan 8.270 nan 0.000 0.449 192 A N 4.081 126.869 122.820 -0.054 0.000 2.277 192 A HA 0.554 4.873 4.320 -0.001 0.000 0.318 192 A C -0.889 176.562 177.584 -0.221 0.000 1.339 192 A CA -0.713 51.235 52.037 -0.149 0.000 0.875 192 A CB 0.047 18.939 19.000 -0.180 0.000 1.158 192 A HN 0.578 nan 8.150 nan 0.000 0.514 193 F N 1.324 121.256 119.950 -0.030 0.000 2.444 193 F HA 0.363 4.890 4.527 -0.001 0.000 0.331 193 F C 1.593 177.416 175.800 0.039 0.000 1.167 193 F CA 0.841 58.857 58.000 0.026 0.000 1.262 193 F CB 1.169 40.200 39.000 0.052 0.000 1.196 193 F HN 0.616 nan 8.300 nan 0.000 0.583 194 A N 0.247 123.294 122.820 0.378 0.000 2.147 194 A HA 0.193 4.513 4.320 -0.001 0.000 0.211 194 A C 0.670 178.554 177.584 0.500 0.000 1.160 194 A CA 1.006 53.307 52.037 0.440 0.000 0.781 194 A CB -0.539 18.741 19.000 0.467 0.000 0.842 194 A HN 0.721 nan 8.150 nan 0.000 0.475 195 T N -5.149 109.627 114.554 0.371 0.000 2.865 195 T HA 0.662 5.011 4.350 -0.001 0.000 0.294 195 T C 0.157 174.847 174.700 -0.017 0.000 1.119 195 T CA 0.123 62.370 62.100 0.245 0.000 1.007 195 T CB 1.421 70.375 68.868 0.143 0.000 1.225 195 T HN 1.962 nan 8.240 nan 0.000 0.515 196 G N 1.210 109.767 108.800 -0.405 0.000 2.500 196 G HA2 0.232 4.191 3.960 -0.001 0.000 0.209 196 G HA3 0.232 4.191 3.960 -0.001 0.000 0.209 196 G C -0.028 174.521 174.900 -0.584 0.000 1.283 196 G CA 0.019 44.491 45.100 -1.046 0.000 0.960 196 G HN 2.144 nan 8.290 nan 0.000 0.528 197 S N 0.001 115.381 115.700 -0.534 0.000 2.573 197 S HA 0.321 4.791 4.470 -0.001 0.000 0.277 197 S C 0.970 175.510 174.600 -0.100 0.000 1.346 197 S CA 1.028 59.077 58.200 -0.252 0.000 1.034 197 S CB 1.200 64.285 63.200 -0.192 0.000 0.879 197 S HN 0.588 nan 8.310 nan 0.000 0.528 198 D N 0.758 121.142 120.400 -0.027 0.000 2.178 198 D HA -0.130 4.510 4.640 -0.001 0.000 0.201 198 D C 1.516 177.792 176.300 -0.041 0.000 0.980 198 D CA 1.358 55.364 54.000 0.011 0.000 0.842 198 D CB -0.403 40.447 40.800 0.084 0.000 0.948 198 D HN 0.803 nan 8.370 nan 0.000 0.472 199 D N 0.355 120.725 120.400 -0.049 0.000 2.117 199 D HA -0.146 4.494 4.640 -0.001 0.000 0.197 199 D C 1.925 178.211 176.300 -0.024 0.000 0.987 199 D CA 1.772 55.743 54.000 -0.049 0.000 0.829 199 D CB 0.181 40.955 40.800 -0.044 0.000 0.961 199 D HN 0.233 nan 8.370 nan 0.000 0.460 200 S N -0.355 115.344 115.700 -0.002 0.000 2.428 200 S HA -0.064 4.405 4.470 -0.001 0.000 0.230 200 S C 2.161 176.861 174.600 0.167 0.000 1.014 200 S CA 0.744 59.014 58.200 0.117 0.000 0.957 200 S CB -0.193 63.023 63.200 0.027 0.000 0.784 200 S HN 0.138 nan 8.310 nan 0.000 0.499 201 V N 1.342 121.280 119.914 0.039 0.000 3.129 201 V HA 0.218 4.337 4.120 -0.001 0.000 0.259 201 V C 0.688 176.660 176.094 -0.203 0.000 1.116 201 V CA 0.369 62.650 62.300 -0.031 0.000 1.127 201 V CB -1.308 30.518 31.823 0.005 0.000 0.742 201 V HN 0.541 nan 8.190 nan 0.000 0.474 202 R N 0.225 120.620 120.500 -0.175 0.000 2.994 202 R HA -0.147 4.192 4.340 -0.001 0.000 0.267 202 R C -0.798 175.314 176.300 -0.313 0.000 0.914 202 R CA 0.123 56.074 56.100 -0.249 0.000 0.668 202 R CB -1.676 28.425 30.300 -0.331 0.000 1.524 202 R HN 0.389 nan 8.270 nan 0.000 0.478 203 L N 1.314 122.379 121.223 -0.264 0.000 2.295 203 L HA 0.616 4.955 4.340 -0.001 0.000 0.285 203 L C 1.169 177.996 176.870 -0.072 0.000 1.035 203 L CA -0.685 53.967 54.840 -0.315 0.000 0.806 203 L CB 1.629 43.438 42.059 -0.417 0.000 1.214 203 L HN 0.446 nan 8.230 nan 0.000 0.426 204 A N 3.002 125.828 122.820 0.010 0.000 2.386 204 A HA 0.173 4.493 4.320 -0.001 0.000 0.246 204 A C 1.052 178.763 177.584 0.212 0.000 1.089 204 A CA -0.105 51.978 52.037 0.077 0.000 0.790 204 A CB 0.263 19.315 19.000 0.086 0.000 1.042 204 A HN 0.894 nan 8.150 nan 0.000 0.497 205 K N -0.025 120.447 120.400 0.121 0.000 2.280 205 K HA -0.106 4.213 4.320 -0.001 0.000 0.202 205 K C -0.039 176.726 176.600 0.275 0.000 1.047 205 K CA 1.526 57.882 56.287 0.115 0.000 0.942 205 K CB -0.009 32.502 32.500 0.018 0.000 0.739 205 K HN 0.821 nan 8.250 nan 0.000 0.457 206 D N -0.316 120.236 120.400 0.253 0.000 2.559 206 D HA -0.041 4.598 4.640 -0.001 0.000 0.234 206 D C -0.170 176.261 176.300 0.218 0.000 1.226 206 D CA -0.698 53.436 54.000 0.223 0.000 0.830 206 D CB -0.694 40.176 40.800 0.116 0.000 1.028 206 D HN -0.055 nan 8.370 nan 0.000 0.492 207 F N 2.654 122.685 119.950 0.135 0.000 2.593 207 F HA 0.066 4.593 4.527 -0.001 0.000 0.393 207 F C 0.770 176.500 175.800 -0.117 0.000 1.037 207 F CA 0.094 58.083 58.000 -0.019 0.000 1.195 207 F CB 0.064 39.017 39.000 -0.077 0.000 1.034 207 F HN -0.050 nan 8.300 nan 0.000 0.552 208 N N 2.273 120.587 118.700 -0.644 0.000 2.725 208 N HA -0.270 4.469 4.740 -0.001 0.000 0.249 208 N C 1.373 176.675 175.510 -0.346 0.000 1.103 208 N CA 1.124 53.810 53.050 -0.605 0.000 0.707 208 N CB -1.411 36.529 38.487 -0.911 0.000 1.043 208 N HN 0.738 nan 8.380 nan 0.000 0.553 209 S N -1.562 114.029 115.700 -0.182 0.000 2.419 209 S HA -0.049 4.421 4.470 -0.001 0.000 0.235 209 S C 1.926 176.443 174.600 -0.139 0.000 1.019 209 S CA 0.976 59.113 58.200 -0.106 0.000 0.982 209 S CB -0.112 63.072 63.200 -0.027 0.000 0.789 209 S HN 0.515 nan 8.310 nan 0.000 0.490 210 A N 1.736 124.445 122.820 -0.185 0.000 2.119 210 A HA 0.203 4.523 4.320 -0.001 0.000 0.216 210 A C 0.965 178.379 177.584 -0.283 0.000 1.152 210 A CA 0.384 52.297 52.037 -0.206 0.000 0.708 210 A CB -0.109 18.760 19.000 -0.217 0.000 0.805 210 A HN 0.562 nan 8.150 nan 0.000 0.460 211 N N -0.796 117.650 118.700 -0.423 0.000 2.726 211 N HA 0.182 4.922 4.740 -0.001 0.000 0.253 211 N C -2.644 172.551 175.510 -0.526 0.000 1.530 211 N CA -0.809 51.869 53.050 -0.620 0.000 0.772 211 N CB 1.247 38.770 38.487 -1.606 0.000 1.220 211 N HN -0.001 nan 8.380 nan 0.000 0.508 212 P HA -0.166 nan 4.420 nan 0.000 0.219 212 P C 1.375 178.648 177.300 -0.044 0.000 1.146 212 P CA 1.248 64.276 63.100 -0.120 0.000 0.808 212 P CB -0.018 31.658 31.700 -0.040 0.000 0.779 213 H N -2.692 116.317 119.070 -0.102 0.000 2.545 213 H HA -0.057 4.498 4.556 -0.001 0.000 0.282 213 H C 1.487 176.906 175.328 0.152 0.000 1.020 213 H CA 0.763 56.816 56.048 0.008 0.000 1.243 213 H CB -1.394 28.371 29.762 0.005 0.000 1.377 213 H HN 0.335 nan 8.280 nan 0.000 0.581 214 Y N 1.640 121.680 120.300 -0.433 0.000 2.439 214 Y HA 0.114 4.664 4.550 -0.001 0.000 0.292 214 Y C 1.293 177.173 175.900 -0.034 0.000 1.130 214 Y CA 0.102 58.052 58.100 -0.251 0.000 1.254 214 Y CB 0.480 38.810 38.460 -0.217 0.000 1.000 214 Y HN 0.506 nan 8.280 nan 0.000 0.554 215 G N 0.338 109.222 108.800 0.140 0.000 2.674 215 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.686 215 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.686 215 G C -0.814 174.235 174.900 0.248 0.000 1.195 215 G CA -0.458 44.750 45.100 0.181 0.000 0.776 215 G HN 0.225 nan 8.290 nan 0.000 0.654 216 Q N -0.527 119.365 119.800 0.154 0.000 2.061 216 Q HA 0.518 4.858 4.340 -0.001 0.000 0.159 216 Q C 0.037 176.015 176.000 -0.036 0.000 0.530 216 Q CA -0.020 55.728 55.803 -0.093 0.000 0.728 216 Q CB 0.675 29.070 28.738 -0.570 0.000 1.004 216 Q HN 0.508 nan 8.270 nan 0.000 0.426 217 F N -0.254 119.901 119.950 0.343 0.000 2.432 217 F HA 0.515 5.041 4.527 -0.001 0.000 0.329 217 F C 1.200 177.117 175.800 0.196 0.000 1.076 217 F CA 0.015 58.164 58.000 0.249 0.000 1.018 217 F CB 1.318 40.410 39.000 0.153 0.000 1.201 217 F HN 0.549 nan 8.300 nan 0.000 0.489 218 G N 0.956 109.971 108.800 0.359 0.000 2.189 218 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.267 218 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.267 218 G C 0.827 175.822 174.900 0.158 0.000 0.975 218 G CA 0.563 45.784 45.100 0.202 0.000 0.644 218 G HN 0.626 nan 8.290 nan 0.000 0.537 219 L N 0.533 121.883 121.223 0.211 0.000 2.395 219 L HA 0.192 4.531 4.340 -0.001 0.000 0.218 219 L C 2.852 179.740 176.870 0.030 0.000 1.130 219 L CA 0.921 55.796 54.840 0.060 0.000 0.826 219 L CB -0.418 41.590 42.059 -0.087 0.000 0.941 219 L HN 0.298 nan 8.230 nan 0.000 0.451 220 G N -0.154 108.743 108.800 0.162 0.000 2.559 220 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.216 220 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.216 220 G C 1.528 176.424 174.900 -0.005 0.000 1.126 220 G CA 1.410 46.604 45.100 0.157 0.000 0.778 220 G HN 0.474 nan 8.290 nan 0.000 0.543 221 T N -3.036 111.498 114.554 -0.033 0.000 3.028 221 T HA 0.208 4.557 4.350 -0.001 0.000 0.250 221 T C 1.964 176.766 174.700 0.170 0.000 0.979 221 T CA 0.131 62.177 62.100 -0.090 0.000 1.004 221 T CB -0.001 68.704 68.868 -0.273 0.000 1.120 221 T HN 0.161 nan 8.240 nan 0.000 0.482 222 K N 1.985 122.450 120.400 0.109 0.000 2.211 222 K HA -0.015 4.304 4.320 -0.001 0.000 0.203 222 K C 1.750 178.396 176.600 0.077 0.000 1.050 222 K CA 1.653 57.996 56.287 0.093 0.000 0.945 222 K CB -0.235 32.298 32.500 0.056 0.000 0.732 222 K HN 0.621 nan 8.250 nan 0.000 0.451 223 T N -2.157 112.433 114.554 0.059 0.000 3.312 223 T HA 0.127 4.477 4.350 -0.001 0.000 0.251 223 T C -0.415 174.150 174.700 -0.225 0.000 1.012 223 T CA -0.620 61.410 62.100 -0.117 0.000 0.925 223 T CB -0.317 68.385 68.868 -0.278 0.000 1.049 223 T HN 0.082 nan 8.240 nan 0.000 0.583 224 W N 0.288 121.621 121.300 0.055 0.000 3.031 224 W HA 0.561 5.220 4.660 -0.001 0.000 0.337 224 W C -0.488 176.101 176.519 0.117 0.000 1.187 224 W CA -1.105 56.314 57.345 0.122 0.000 1.166 224 W CB 1.488 31.096 29.460 0.248 0.000 1.437 224 W HN 0.019 nan 8.180 nan 0.000 0.551 225 E N 1.432 121.853 120.200 0.369 0.000 2.134 225 E HA 0.479 4.829 4.350 -0.001 0.000 0.278 225 E C 0.819 177.558 176.600 0.232 0.000 0.959 225 E CA 0.532 57.070 56.400 0.230 0.000 0.783 225 E CB 0.636 30.427 29.700 0.150 0.000 1.095 225 E HN 0.648 nan 8.360 nan 0.000 0.399 226 G N 4.891 113.810 108.800 0.199 0.000 2.566 226 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.280 226 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.280 226 G C 0.241 175.225 174.900 0.141 0.000 1.225 226 G CA 0.246 45.434 45.100 0.147 0.000 0.966 226 G HN 0.710 nan 8.290 nan 0.000 0.560 227 D N 1.484 121.833 120.400 -0.085 0.000 2.325 227 D HA 0.422 5.062 4.640 -0.001 0.000 0.234 227 D C 2.173 178.049 176.300 -0.707 0.000 1.122 227 D CA 1.072 54.757 54.000 -0.525 0.000 0.850 227 D CB -0.317 40.193 40.800 -0.482 0.000 0.921 227 D HN 0.778 nan 8.370 nan 0.000 0.513 228 A N 0.941 123.595 122.820 -0.277 0.000 2.076 228 A HA -0.154 4.166 4.320 -0.001 0.000 0.220 228 A C 1.937 179.225 177.584 -0.493 0.000 1.160 228 A CA 0.685 52.627 52.037 -0.159 0.000 0.653 228 A CB -0.959 18.204 19.000 0.271 0.000 0.801 228 A HN 0.569 nan 8.150 nan 0.000 0.455 229 W N 0.078 120.922 121.300 -0.759 0.000 2.525 229 W HA -0.042 4.617 4.660 -0.001 0.000 0.259 229 W C 1.092 177.178 176.519 -0.720 0.000 1.253 229 W CA 0.913 57.403 57.345 -1.425 0.000 1.262 229 W CB -0.643 27.954 29.460 -1.439 0.000 1.122 229 W HN 0.269 nan 8.180 nan 0.000 0.607 230 K N 1.659 121.372 120.400 -1.144 0.000 2.209 230 K HA -0.096 4.223 4.320 -0.001 0.000 0.204 230 K C 1.564 177.859 176.600 -0.509 0.000 1.048 230 K CA 1.737 57.492 56.287 -0.886 0.000 0.940 230 K CB -0.244 31.645 32.500 -1.018 0.000 0.729 230 K HN 0.391 nan 8.250 nan 0.000 0.451 231 I N -3.961 116.302 120.570 -0.511 0.000 3.424 231 I HA 0.320 4.490 4.170 -0.001 0.000 0.339 231 I C 0.736 176.772 176.117 -0.135 0.000 1.549 231 I CA -0.472 60.571 61.300 -0.428 0.000 1.049 231 I CB 0.824 38.277 38.000 -0.912 0.000 1.439 231 I HN -0.163 nan 8.210 nan 0.000 0.500 232 G N 0.724 109.430 108.800 -0.157 0.000 3.088 232 G HA2 0.468 4.428 3.960 -0.001 0.000 0.212 232 G HA3 0.468 4.428 3.960 -0.001 0.000 0.212 232 G C 0.893 175.983 174.900 0.316 0.000 1.173 232 G CA 0.379 45.489 45.100 0.018 0.000 0.779 232 G HN 0.830 nan 8.290 nan 0.000 0.540 233 G N -0.288 108.666 108.800 0.257 0.000 2.539 233 G HA2 0.284 4.244 3.960 -0.001 0.000 0.256 233 G HA3 0.284 4.244 3.960 -0.001 0.000 0.256 233 G C 1.056 176.164 174.900 0.346 0.000 1.233 233 G CA 0.917 46.207 45.100 0.316 0.000 0.936 233 G HN 1.903 nan 8.290 nan 0.000 0.571 234 G N -2.328 106.698 108.800 0.376 0.000 2.141 234 G HA2 0.167 4.126 3.960 -0.001 0.000 0.242 234 G HA3 0.167 4.126 3.960 -0.001 0.000 0.242 234 G C 0.941 176.070 174.900 0.381 0.000 0.982 234 G CA 1.456 46.792 45.100 0.394 0.000 0.662 234 G HN 2.780 nan 8.290 nan 0.000 0.527 235 T N 0.081 114.863 114.554 0.380 0.000 2.940 235 T HA 0.406 4.756 4.350 -0.001 0.000 0.309 235 T C 0.318 175.255 174.700 0.394 0.000 1.056 235 T CA 0.270 62.599 62.100 0.382 0.000 1.137 235 T CB 1.203 70.317 68.868 0.410 0.000 0.976 235 T HN 0.891 nan 8.240 nan 0.000 0.547 236 N N 3.257 122.127 118.700 0.283 0.000 2.511 236 N HA 0.135 4.875 4.740 -0.001 0.000 0.249 236 N C -0.033 175.512 175.510 0.059 0.000 0.971 236 N CA -1.060 52.056 53.050 0.111 0.000 0.938 236 N CB 1.024 39.597 38.487 0.143 0.000 1.131 236 N HN 1.044 nan 8.380 nan 0.000 0.505 237 W N 1.784 123.088 121.300 0.008 0.000 2.653 237 W HA 0.450 5.110 4.660 -0.001 0.000 0.391 237 W C -0.202 176.202 176.519 -0.190 0.000 0.962 237 W CA -0.715 56.597 57.345 -0.055 0.000 1.900 237 W CB -0.602 28.869 29.460 0.018 0.000 1.176 237 W HN 0.378 nan 8.180 nan 0.000 0.582 238 G N 1.509 109.916 108.800 -0.655 0.000 3.372 238 G HA2 0.408 4.368 3.960 -0.001 0.000 0.178 238 G HA3 0.408 4.368 3.960 -0.001 0.000 0.178 238 G C -1.386 173.004 174.900 -0.849 0.000 1.817 238 G CA -0.206 44.443 45.100 -0.752 0.000 0.996 238 G HN 0.118 nan 8.290 nan 0.000 0.559 239 W N -1.955 119.254 121.300 -0.151 0.000 2.902 239 W HA 0.718 5.378 4.660 -0.001 0.000 0.346 239 W C -1.228 175.187 176.519 -0.173 0.000 1.139 239 W CA -0.868 56.447 57.345 -0.050 0.000 1.139 239 W CB 1.127 30.645 29.460 0.096 0.000 1.439 239 W HN 0.328 nan 8.180 nan 0.000 0.558 240 Y N 0.568 120.982 120.300 0.191 0.000 2.650 240 Y HA 0.848 5.397 4.550 -0.001 0.000 0.331 240 Y C 0.318 176.145 175.900 -0.121 0.000 1.082 240 Y CA -1.485 56.534 58.100 -0.134 0.000 1.171 240 Y CB 1.787 39.745 38.460 -0.837 0.000 1.326 240 Y HN 0.477 nan 8.280 nan 0.000 0.513 241 A N 0.597 123.516 122.820 0.165 0.000 2.587 241 A HA 0.736 5.056 4.320 -0.001 0.000 0.293 241 A C -2.533 175.419 177.584 0.614 0.000 1.087 241 A CA -0.649 51.629 52.037 0.403 0.000 0.692 241 A CB 1.680 20.899 19.000 0.366 0.000 1.291 241 A HN 0.650 nan 8.150 nan 0.000 0.407 242 Y N 0.963 121.639 120.300 0.626 0.000 2.479 242 Y HA 0.563 5.112 4.550 -0.001 0.000 0.338 242 Y C -1.755 174.468 175.900 0.539 0.000 1.055 242 Y CA -1.193 57.250 58.100 0.571 0.000 1.023 242 Y CB 1.998 40.827 38.460 0.615 0.000 1.287 242 Y HN 0.663 nan 8.280 nan 0.000 0.447 243 D N 7.973 128.298 120.400 -0.124 0.000 2.441 243 D HA 0.372 5.012 4.640 -0.001 0.000 0.231 243 D C -2.289 173.626 176.300 -0.642 0.000 1.073 243 D CA -2.382 51.546 54.000 -0.119 0.000 0.850 243 D CB 2.419 43.285 40.800 0.110 0.000 1.062 243 D HN 0.332 nan 8.370 nan 0.000 0.524 244 P HA -0.136 nan 4.420 nan 0.000 0.216 244 P C 1.284 178.484 177.300 -0.167 0.000 1.150 244 P CA 1.136 63.928 63.100 -0.515 0.000 0.837 244 P CB 0.417 31.971 31.700 -0.245 0.000 0.786 245 K N -0.138 120.222 120.400 -0.067 0.000 2.057 245 K HA -0.079 4.240 4.320 -0.001 0.000 0.206 245 K C 1.773 178.378 176.600 0.009 0.000 1.050 245 K CA 1.187 57.475 56.287 0.002 0.000 0.935 245 K CB -0.446 32.079 32.500 0.043 0.000 0.715 245 K HN 0.111 nan 8.250 nan 0.000 0.439 246 L N 0.187 121.413 121.223 0.004 0.000 2.509 246 L HA 0.031 4.371 4.340 -0.001 0.000 0.222 246 L C 0.490 177.377 176.870 0.028 0.000 1.123 246 L CA 0.032 54.892 54.840 0.034 0.000 0.856 246 L CB -0.358 41.750 42.059 0.081 0.000 0.985 246 L HN 0.341 nan 8.230 nan 0.000 0.456 247 N N 0.716 119.416 118.700 0.001 0.000 2.735 247 N HA -0.207 4.532 4.740 -0.001 0.000 0.248 247 N C -0.821 174.799 175.510 0.184 0.000 1.083 247 N CA 0.570 53.701 53.050 0.136 0.000 0.703 247 N CB -1.208 37.362 38.487 0.139 0.000 1.005 247 N HN 0.270 nan 8.380 nan 0.000 0.550 248 L N 0.883 122.146 121.223 0.067 0.000 2.346 248 L HA 0.624 4.964 4.340 -0.001 0.000 0.276 248 L C 0.261 177.083 176.870 -0.079 0.000 1.006 248 L CA -1.253 53.510 54.840 -0.129 0.000 0.817 248 L CB 1.013 42.855 42.059 -0.362 0.000 1.272 248 L HN 0.165 nan 8.230 nan 0.000 0.421 249 F N 0.771 120.604 119.950 -0.194 0.000 2.507 249 F HA 0.776 5.303 4.527 -0.001 0.000 0.327 249 F C -1.260 174.325 175.800 -0.359 0.000 1.068 249 F CA -1.035 56.941 58.000 -0.040 0.000 0.965 249 F CB 0.923 39.990 39.000 0.112 0.000 1.192 249 F HN 0.157 nan 8.300 nan 0.000 0.476 250 Y N 1.630 122.135 120.300 0.342 0.000 2.499 250 Y HA 0.671 5.220 4.550 -0.001 0.000 0.347 250 Y C -0.758 175.363 175.900 0.367 0.000 0.987 250 Y CA -1.365 56.829 58.100 0.157 0.000 1.044 250 Y CB 1.872 40.357 38.460 0.041 0.000 1.245 250 Y HN 0.802 nan 8.280 nan 0.000 0.461 251 Y N -1.551 118.867 120.300 0.198 0.000 2.774 251 Y HA 0.797 5.347 4.550 -0.001 0.000 0.346 251 Y C -1.099 174.851 175.900 0.083 0.000 1.222 251 Y CA -1.897 56.238 58.100 0.059 0.000 1.088 251 Y CB 0.955 39.385 38.460 -0.050 0.000 1.354 251 Y HN 0.790 nan 8.280 nan 0.000 0.455 252 G N 1.023 109.776 108.800 -0.078 0.000 2.461 252 G HA2 0.536 4.496 3.960 -0.001 0.000 0.323 252 G HA3 0.536 4.496 3.960 -0.001 0.000 0.323 252 G C -1.188 173.784 174.900 0.120 0.000 1.229 252 G CA -0.720 44.311 45.100 -0.116 0.000 0.941 252 G HN 1.005 nan 8.290 nan 0.000 0.477 253 S N 1.095 116.935 115.700 0.233 0.000 2.586 253 S HA 0.728 5.197 4.470 -0.001 0.000 0.274 253 S C 0.924 175.684 174.600 0.267 0.000 1.281 253 S CA -0.118 58.314 58.200 0.388 0.000 1.035 253 S CB 1.719 65.296 63.200 0.628 0.000 0.962 253 S HN 0.940 nan 8.310 nan 0.000 0.512 254 G N 1.538 110.517 108.800 0.298 0.000 2.516 254 G HA2 0.250 4.209 3.960 -0.001 0.000 0.276 254 G HA3 0.250 4.209 3.960 -0.001 0.000 0.276 254 G C 0.125 175.220 174.900 0.325 0.000 1.390 254 G CA -0.919 44.376 45.100 0.325 0.000 1.050 254 G HN 0.939 nan 8.290 nan 0.000 0.519 255 N N 0.937 119.842 118.700 0.342 0.000 2.482 255 N HA 0.212 4.951 4.740 -0.001 0.000 0.260 255 N C -2.675 173.006 175.510 0.284 0.000 1.236 255 N CA -1.029 52.178 53.050 0.262 0.000 0.938 255 N CB 1.400 40.005 38.487 0.198 0.000 1.128 255 N HN 0.180 nan 8.380 nan 0.000 0.448 256 P HA 0.245 nan 4.420 nan 0.000 0.276 256 P C -1.135 176.350 177.300 0.307 0.000 1.244 256 P CA -0.443 62.855 63.100 0.330 0.000 0.801 256 P CB 0.968 32.801 31.700 0.222 0.000 1.006 257 A N 2.608 125.656 122.820 0.381 0.000 2.355 257 A HA 0.769 5.088 4.320 -0.001 0.000 0.324 257 A C -2.417 175.341 177.584 0.288 0.000 1.117 257 A CA -1.959 50.277 52.037 0.332 0.000 0.785 257 A CB 0.913 20.165 19.000 0.420 0.000 1.254 257 A HN 0.397 nan 8.150 nan 0.000 0.453 258 P HA 0.165 nan 4.420 nan 0.000 0.302 258 P C -0.008 177.339 177.300 0.079 0.000 1.307 258 P CA -0.348 62.549 63.100 -0.338 0.000 0.754 258 P CB 0.515 31.510 31.700 -1.175 0.000 1.298 259 W N -1.144 120.035 121.300 -0.201 0.000 2.467 259 W HA 0.020 4.679 4.660 -0.001 0.000 0.275 259 W C 1.158 177.708 176.519 0.051 0.000 1.239 259 W CA 0.551 57.901 57.345 0.008 0.000 1.266 259 W CB -1.683 27.747 29.460 -0.051 0.000 1.112 259 W HN 0.272 nan 8.180 nan 0.000 0.576 260 N N 2.092 120.840 118.700 0.080 0.000 2.406 260 N HA -0.071 4.668 4.740 -0.001 0.000 0.274 260 N C 1.199 176.716 175.510 0.012 0.000 1.249 260 N CA 0.591 53.657 53.050 0.027 0.000 0.951 260 N CB 0.665 39.080 38.487 -0.120 0.000 1.241 260 N HN 0.304 nan 8.380 nan 0.000 0.485 261 E N 1.789 121.984 120.200 -0.009 0.000 2.204 261 E HA -0.144 4.206 4.350 -0.001 0.000 0.195 261 E C 0.979 177.613 176.600 0.057 0.000 0.990 261 E CA 1.666 58.001 56.400 -0.108 0.000 0.821 261 E CB -0.512 29.027 29.700 -0.268 0.000 0.750 261 E HN 0.470 nan 8.360 nan 0.000 0.477 262 T N 0.420 115.012 114.554 0.062 0.000 2.962 262 T HA -0.001 4.349 4.350 -0.001 0.000 0.270 262 T C 1.494 176.242 174.700 0.080 0.000 1.088 262 T CA 1.353 63.497 62.100 0.074 0.000 1.127 262 T CB -0.197 68.710 68.868 0.065 0.000 0.883 262 T HN 0.201 nan 8.240 nan 0.000 0.493 263 M N 1.131 120.777 119.600 0.076 0.000 2.618 263 M HA 0.111 4.590 4.480 -0.001 0.000 0.240 263 M C 0.654 177.042 176.300 0.147 0.000 1.123 263 M CA 0.639 56.000 55.300 0.102 0.000 1.060 263 M CB 0.214 32.866 32.600 0.087 0.000 1.535 263 M HN 0.182 nan 8.290 nan 0.000 0.507 264 R N -0.134 120.453 120.500 0.146 0.000 2.655 264 R HA 0.355 4.694 4.340 -0.001 0.000 0.261 264 R C -3.048 173.336 176.300 0.140 0.000 1.624 264 R CA -1.426 54.783 56.100 0.180 0.000 1.655 264 R CB -0.403 30.026 30.300 0.215 0.000 1.356 264 R HN -0.119 nan 8.270 nan 0.000 0.684 265 P HA 0.219 nan 4.420 nan 0.000 0.267 265 P C 0.270 177.492 177.300 -0.130 0.000 1.200 265 P CA 0.997 64.062 63.100 -0.057 0.000 0.772 265 P CB 1.169 32.836 31.700 -0.054 0.000 0.855 266 G N 2.321 110.951 108.800 -0.283 0.000 2.459 266 G HA2 -0.120 3.840 3.960 -0.001 0.000 0.685 266 G HA3 -0.120 3.840 3.960 -0.001 0.000 0.685 266 G C 0.047 174.775 174.900 -0.287 0.000 1.303 266 G CA -0.491 44.441 45.100 -0.280 0.000 0.907 266 G HN 0.338 nan 8.290 nan 0.000 0.632 267 D N 0.605 120.820 120.400 -0.309 0.000 2.309 267 D HA -0.019 4.620 4.640 -0.001 0.000 0.212 267 D C 1.466 177.517 176.300 -0.415 0.000 0.968 267 D CA 1.260 55.087 54.000 -0.288 0.000 0.882 267 D CB -0.083 40.536 40.800 -0.300 0.000 0.918 267 D HN 0.590 nan 8.370 nan 0.000 0.503 268 N N 0.505 118.755 118.700 -0.750 0.000 2.735 268 N HA -0.199 4.540 4.740 -0.001 0.000 0.248 268 N C -0.472 174.836 175.510 -0.338 0.000 1.083 268 N CA 0.606 52.947 53.050 -1.182 0.000 0.703 268 N CB -1.372 36.521 38.487 -0.990 0.000 1.005 268 N HN 0.395 nan 8.380 nan 0.000 0.550 269 K N -0.665 119.542 120.400 -0.322 0.000 2.295 269 K HA 0.071 4.390 4.320 -0.001 0.000 0.270 269 K C 0.287 176.991 176.600 0.172 0.000 1.011 269 K CA 0.133 56.197 56.287 -0.370 0.000 0.953 269 K CB 0.382 32.115 32.500 -1.278 0.000 0.956 269 K HN 0.207 nan 8.250 nan 0.000 0.477 270 W N 2.285 123.817 121.300 0.388 0.000 1.948 270 W HA 0.084 4.744 4.660 -0.001 0.000 0.335 270 W C 0.380 177.081 176.519 0.303 0.000 0.753 270 W CA -0.522 56.989 57.345 0.277 0.000 2.601 270 W CB 0.076 29.757 29.460 0.368 0.000 2.143 270 W HN 0.537 nan 8.180 nan 0.000 0.636 271 T N -2.950 111.843 114.554 0.398 0.000 2.766 271 T HA 0.201 4.551 4.350 -0.001 0.000 0.295 271 T C 0.983 175.801 174.700 0.197 0.000 1.024 271 T CA -0.400 61.908 62.100 0.348 0.000 1.018 271 T CB 0.801 69.864 68.868 0.326 0.000 1.002 271 T HN 0.260 nan 8.240 nan 0.000 0.532 272 M N 0.362 120.072 119.600 0.183 0.000 2.169 272 M HA -0.164 4.316 4.480 -0.001 0.000 0.196 272 M C -0.535 175.733 176.300 -0.054 0.000 0.355 272 M CA 0.484 55.839 55.300 0.092 0.000 0.396 272 M CB -2.033 30.629 32.600 0.103 0.000 1.125 272 M HN 0.855 nan 8.290 nan 0.000 0.939 273 T N 0.491 114.991 114.554 -0.089 0.000 2.856 273 T HA 0.677 5.027 4.350 -0.001 0.000 0.283 273 T C 0.154 174.502 174.700 -0.587 0.000 1.008 273 T CA -0.624 61.238 62.100 -0.398 0.000 0.997 273 T CB 1.878 70.395 68.868 -0.584 0.000 0.992 273 T HN 0.242 nan 8.240 nan 0.000 0.454 274 I N 2.791 123.039 120.570 -0.537 0.000 2.325 274 I HA 0.341 4.511 4.170 -0.001 0.000 0.291 274 I C -0.704 175.061 176.117 -0.587 0.000 1.019 274 I CA -0.485 60.561 61.300 -0.424 0.000 1.302 274 I CB 0.724 38.644 38.000 -0.134 0.000 1.401 274 I HN 0.536 nan 8.210 nan 0.000 0.485 275 W N 4.019 124.944 121.300 -0.625 0.000 2.639 275 W HA 0.656 5.316 4.660 -0.001 0.000 0.347 275 W C 0.340 176.189 176.519 -1.116 0.000 1.067 275 W CA -0.812 56.026 57.345 -0.845 0.000 1.218 275 W CB 1.798 30.719 29.460 -0.898 0.000 1.393 275 W HN 0.442 nan 8.180 nan 0.000 0.557 276 G N 2.189 110.274 108.800 -1.191 0.000 2.866 276 G HA2 0.642 4.601 3.960 -0.001 0.000 0.291 276 G HA3 0.642 4.601 3.960 -0.001 0.000 0.291 276 G C -1.017 173.351 174.900 -0.887 0.000 1.476 276 G CA -0.849 43.419 45.100 -1.386 0.000 1.048 276 G HN 0.388 nan 8.290 nan 0.000 0.542 277 R N 1.547 121.478 120.500 -0.948 0.000 2.711 277 R HA 0.314 4.654 4.340 -0.001 0.000 0.284 277 R C -0.863 175.076 176.300 -0.603 0.000 0.968 277 R CA -0.934 54.686 56.100 -0.800 0.000 0.924 277 R CB 2.321 32.000 30.300 -1.035 0.000 1.162 277 R HN 0.545 nan 8.270 nan 0.000 0.465 278 D N 2.418 122.635 120.400 -0.305 0.000 2.425 278 D HA -0.054 4.586 4.640 -0.001 0.000 0.247 278 D C 0.812 177.181 176.300 0.114 0.000 1.147 278 D CA -0.102 53.845 54.000 -0.089 0.000 0.879 278 D CB 1.251 41.998 40.800 -0.088 0.000 1.179 278 D HN 0.270 nan 8.370 nan 0.000 0.456 279 L N 4.753 126.161 121.223 0.308 0.000 2.093 279 L HA -0.142 4.198 4.340 -0.001 0.000 0.208 279 L C 1.498 178.568 176.870 0.333 0.000 1.085 279 L CA 1.747 56.850 54.840 0.439 0.000 0.755 279 L CB -0.354 41.876 42.059 0.286 0.000 0.904 279 L HN 0.414 nan 8.230 nan 0.000 0.435 280 D N -1.013 119.504 120.400 0.195 0.000 2.097 280 D HA -0.137 4.503 4.640 -0.001 0.000 0.197 280 D C 2.076 178.473 176.300 0.160 0.000 0.984 280 D CA 2.074 56.174 54.000 0.167 0.000 0.826 280 D CB -0.325 40.524 40.800 0.082 0.000 0.973 280 D HN 0.554 nan 8.370 nan 0.000 0.460 281 T N -4.103 110.399 114.554 -0.087 0.000 3.014 281 T HA 0.365 4.715 4.350 -0.001 0.000 0.250 281 T C 1.730 175.775 174.700 -1.092 0.000 1.060 281 T CA 0.781 62.631 62.100 -0.415 0.000 1.040 281 T CB 0.739 69.437 68.868 -0.284 0.000 0.971 281 T HN 0.220 nan 8.240 nan 0.000 0.497 282 G N 1.905 110.137 108.800 -0.946 0.000 2.184 282 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.264 282 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.264 282 G C 0.186 174.639 174.900 -0.745 0.000 0.975 282 G CA 0.261 44.568 45.100 -1.322 0.000 0.642 282 G HN 0.489 nan 8.290 nan 0.000 0.536 283 M N 1.329 120.608 119.600 -0.534 0.000 2.246 283 M HA 0.499 4.978 4.480 -0.001 0.000 0.350 283 M C 0.946 177.070 176.300 -0.292 0.000 1.406 283 M CA -0.176 54.908 55.300 -0.360 0.000 1.089 283 M CB 0.303 32.758 32.600 -0.241 0.000 1.782 283 M HN 0.643 nan 8.290 nan 0.000 0.457 284 A N 3.998 126.659 122.820 -0.264 0.000 2.404 284 A HA 0.202 4.521 4.320 -0.001 0.000 0.273 284 A C 1.099 178.737 177.584 0.090 0.000 1.144 284 A CA -0.324 51.632 52.037 -0.134 0.000 0.806 284 A CB 0.162 19.134 19.000 -0.047 0.000 1.080 284 A HN 0.864 nan 8.150 nan 0.000 0.509 285 K N 2.877 123.285 120.400 0.014 0.000 2.137 285 K HA 0.058 4.377 4.320 -0.001 0.000 0.202 285 K C 0.327 177.092 176.600 0.274 0.000 1.052 285 K CA 1.348 57.713 56.287 0.131 0.000 0.961 285 K CB 0.074 32.628 32.500 0.089 0.000 0.741 285 K HN 0.859 nan 8.250 nan 0.000 0.452 286 W N -1.648 119.711 121.300 0.098 0.000 3.137 286 W HA 0.638 5.298 4.660 -0.001 0.000 0.324 286 W C -1.026 175.506 176.519 0.020 0.000 1.253 286 W CA -0.991 56.290 57.345 -0.107 0.000 1.183 286 W CB 0.576 29.965 29.460 -0.118 0.000 1.424 286 W HN 0.022 nan 8.180 nan 0.000 0.566 287 G N 1.408 110.288 108.800 0.132 0.000 2.734 287 G HA2 0.476 4.435 3.960 -0.001 0.000 0.293 287 G HA3 0.476 4.435 3.960 -0.001 0.000 0.293 287 G C -2.973 171.881 174.900 -0.076 0.000 1.422 287 G CA -0.703 44.271 45.100 -0.211 0.000 1.177 287 G HN 0.620 nan 8.290 nan 0.000 0.565 288 Y N 2.162 122.321 120.300 -0.235 0.000 2.328 288 Y HA 0.572 5.121 4.550 -0.001 0.000 0.333 288 Y C 0.185 175.863 175.900 -0.369 0.000 0.958 288 Y CA -0.937 56.913 58.100 -0.415 0.000 1.167 288 Y CB 1.882 40.038 38.460 -0.508 0.000 1.151 288 Y HN 0.527 nan 8.280 nan 0.000 0.470 289 Q N 6.224 125.527 119.800 -0.827 0.000 2.323 289 Q HA 0.172 4.512 4.340 -0.001 0.000 0.257 289 Q C 0.316 175.704 176.000 -1.021 0.000 1.022 289 Q CA -0.063 55.334 55.803 -0.675 0.000 0.919 289 Q CB 0.905 29.396 28.738 -0.411 0.000 1.220 289 Q HN 0.893 nan 8.270 nan 0.000 0.427 290 K N 1.473 121.429 120.400 -0.741 0.000 2.062 290 K HA 0.000 4.320 4.320 -0.001 0.000 0.205 290 K C 0.111 176.588 176.600 -0.204 0.000 1.051 290 K CA 1.058 57.035 56.287 -0.518 0.000 0.941 290 K CB 0.410 32.702 32.500 -0.348 0.000 0.719 290 K HN 0.404 nan 8.250 nan 0.000 0.440 291 T N 3.100 117.602 114.554 -0.086 0.000 3.155 291 T HA 0.269 4.619 4.350 -0.001 0.000 0.384 291 T C -2.725 171.986 174.700 0.018 0.000 1.351 291 T CA -1.591 60.563 62.100 0.090 0.000 1.198 291 T CB 1.563 70.645 68.868 0.356 0.000 1.106 291 T HN -0.145 nan 8.240 nan 0.000 0.564 292 P HA 0.139 nan 4.420 nan 0.000 0.268 292 P C 0.047 177.351 177.300 0.007 0.000 1.205 292 P CA 0.061 63.103 63.100 -0.097 0.000 0.771 292 P CB 0.116 31.735 31.700 -0.135 0.000 0.858 293 H N 0.223 119.180 119.070 -0.188 0.000 2.499 293 H HA -0.260 4.296 4.556 -0.001 0.000 0.321 293 H C -0.200 175.013 175.328 -0.192 0.000 1.026 293 H CA 0.294 56.211 56.048 -0.218 0.000 1.077 293 H CB -1.508 28.124 29.762 -0.216 0.000 1.612 293 H HN 0.365 nan 8.280 nan 0.000 0.374 294 D N 1.511 121.722 120.400 -0.315 0.000 2.506 294 D HA -0.004 4.635 4.640 -0.001 0.000 0.234 294 D C 0.847 176.689 176.300 -0.763 0.000 1.143 294 D CA 1.073 54.889 54.000 -0.306 0.000 0.871 294 D CB 0.642 41.363 40.800 -0.132 0.000 1.190 294 D HN 0.763 nan 8.370 nan 0.000 0.459 295 E N 2.349 121.790 120.200 -1.266 0.000 2.715 295 E HA 0.124 4.473 4.350 -0.001 0.000 0.224 295 E C -0.014 175.329 176.600 -2.094 0.000 0.962 295 E CA -0.260 55.116 56.400 -1.705 0.000 1.145 295 E CB 0.626 29.060 29.700 -2.110 0.000 1.083 295 E HN 0.626 nan 8.360 nan 0.000 0.506 296 W N 0.501 121.131 121.300 -1.116 0.000 2.055 296 W HA 0.172 4.832 4.660 -0.001 0.000 0.293 296 W C -0.014 175.905 176.519 -1.001 0.000 0.886 296 W CA -0.444 56.005 57.345 -1.494 0.000 1.384 296 W CB 0.549 28.813 29.460 -1.993 0.000 1.068 296 W HN 0.049 nan 8.180 nan 0.000 0.513 297 D N 1.089 121.168 120.400 -0.535 0.000 2.746 297 D HA -0.245 4.394 4.640 -0.001 0.000 0.236 297 D C -0.339 175.972 176.300 0.018 0.000 1.129 297 D CA 0.662 54.413 54.000 -0.415 0.000 0.691 297 D CB -1.818 38.414 40.800 -0.945 0.000 1.077 297 D HN 0.246 nan 8.370 nan 0.000 0.432 298 F N 0.245 120.266 119.950 0.118 0.000 2.833 298 F HA 0.430 4.956 4.527 -0.001 0.000 0.327 298 F C 1.657 177.571 175.800 0.189 0.000 1.184 298 F CA -0.585 57.510 58.000 0.159 0.000 1.328 298 F CB -0.198 38.887 39.000 0.143 0.000 1.440 298 F HN 0.225 nan 8.300 nan 0.000 0.569 299 A N 1.026 124.090 122.820 0.407 0.000 2.567 299 A HA 0.022 4.341 4.320 -0.001 0.000 0.263 299 A C 1.431 179.185 177.584 0.283 0.000 1.030 299 A CA 0.587 52.860 52.037 0.394 0.000 0.833 299 A CB -0.341 19.032 19.000 0.621 0.000 0.924 299 A HN 0.732 nan 8.150 nan 0.000 0.518 300 G N 1.835 110.768 108.800 0.222 0.000 3.375 300 G HA2 0.279 4.238 3.960 -0.001 0.000 0.247 300 G HA3 0.279 4.238 3.960 -0.001 0.000 0.247 300 G C 0.792 175.751 174.900 0.098 0.000 1.343 300 G CA 0.550 45.752 45.100 0.170 0.000 1.368 300 G HN 1.619 nan 8.290 nan 0.000 0.549 301 V N -2.842 117.040 119.914 -0.054 0.000 3.649 301 V HA 0.195 4.314 4.120 -0.001 0.000 0.275 301 V C 0.745 176.765 176.094 -0.123 0.000 1.281 301 V CA -0.894 61.251 62.300 -0.259 0.000 1.143 301 V CB -1.167 30.094 31.823 -0.938 0.000 0.892 301 V HN 0.323 nan 8.190 nan 0.000 0.441 302 N N 1.841 120.598 118.700 0.095 0.000 2.344 302 N HA 0.018 4.758 4.740 -0.001 0.000 0.236 302 N C 0.133 175.832 175.510 0.315 0.000 1.279 302 N CA 0.012 53.146 53.050 0.141 0.000 0.882 302 N CB 0.220 38.619 38.487 -0.146 0.000 1.110 302 N HN 0.587 nan 8.380 nan 0.000 0.436 303 Q N 1.109 121.092 119.800 0.304 0.000 2.342 303 Q HA -0.117 4.223 4.340 -0.001 0.000 0.330 303 Q C -0.941 175.222 176.000 0.271 0.000 1.117 303 Q CA 0.357 56.328 55.803 0.280 0.000 1.010 303 Q CB 0.455 29.246 28.738 0.089 0.000 1.204 303 Q HN 0.360 nan 8.270 nan 0.000 0.400 304 M N 4.099 123.824 119.600 0.208 0.000 2.227 304 M HA 0.349 4.828 4.480 -0.001 0.000 0.335 304 M C -1.094 175.263 176.300 0.095 0.000 1.053 304 M CA -0.682 54.693 55.300 0.124 0.000 0.973 304 M CB 1.516 34.177 32.600 0.100 0.000 1.623 304 M HN 0.344 nan 8.290 nan 0.000 0.434 305 V N 5.454 125.382 119.914 0.023 0.000 2.378 305 V HA 0.495 4.615 4.120 -0.001 0.000 0.288 305 V C -0.091 175.923 176.094 -0.132 0.000 1.016 305 V CA -0.704 61.590 62.300 -0.010 0.000 0.840 305 V CB 1.748 33.557 31.823 -0.024 0.000 0.994 305 V HN 0.696 nan 8.190 nan 0.000 0.431 306 L N 5.478 126.612 121.223 -0.148 0.000 2.289 306 L HA 0.799 5.138 4.340 -0.001 0.000 0.285 306 L C 0.379 177.063 176.870 -0.310 0.000 1.049 306 L CA -0.080 54.544 54.840 -0.360 0.000 0.804 306 L CB 1.619 43.277 42.059 -0.668 0.000 1.195 306 L HN 0.831 nan 8.230 nan 0.000 0.428 307 T N -1.950 112.409 114.554 -0.325 0.000 2.883 307 T HA 0.459 4.809 4.350 -0.001 0.000 0.301 307 T C -1.169 173.446 174.700 -0.141 0.000 1.158 307 T CA -0.992 60.962 62.100 -0.244 0.000 1.007 307 T CB 2.521 71.061 68.868 -0.547 0.000 1.186 307 T HN 0.355 nan 8.240 nan 0.000 0.499 308 D N 2.129 122.522 120.400 -0.011 0.000 2.453 308 D HA 0.428 5.068 4.640 -0.001 0.000 0.238 308 D C -0.400 175.924 176.300 0.040 0.000 1.088 308 D CA -0.247 53.763 54.000 0.017 0.000 0.854 308 D CB 1.801 42.649 40.800 0.081 0.000 1.076 308 D HN 0.573 nan 8.370 nan 0.000 0.533 309 Q N 1.364 121.169 119.800 0.009 0.000 2.456 309 Q HA 0.459 4.798 4.340 -0.001 0.000 0.284 309 Q C -2.714 173.292 176.000 0.009 0.000 1.061 309 Q CA -2.012 53.810 55.803 0.031 0.000 0.799 309 Q CB 3.379 32.140 28.738 0.038 0.000 1.445 309 Q HN 0.168 nan 8.270 nan 0.000 0.411 310 P HA 0.131 nan 4.420 nan 0.000 0.281 310 P C -0.818 176.477 177.300 -0.008 0.000 1.252 310 P CA -0.183 62.919 63.100 0.003 0.000 0.778 310 P CB 0.952 32.658 31.700 0.010 0.000 0.895 311 V N 5.113 125.015 119.914 -0.021 0.000 2.334 311 V HA 0.201 4.321 4.120 -0.001 0.000 0.281 311 V C 0.663 176.741 176.094 -0.026 0.000 1.016 311 V CA -0.485 61.797 62.300 -0.030 0.000 0.832 311 V CB 0.100 31.896 31.823 -0.046 0.000 0.999 311 V HN 0.652 nan 8.190 nan 0.000 0.439 312 N N 4.358 123.045 118.700 -0.021 0.000 2.735 312 N HA -0.214 4.525 4.740 -0.001 0.000 0.248 312 N C 1.162 176.663 175.510 -0.015 0.000 1.083 312 N CA 1.328 54.367 53.050 -0.019 0.000 0.703 312 N CB -1.064 37.409 38.487 -0.024 0.000 1.005 312 N HN 1.440 nan 8.380 nan 0.000 0.550 313 G N -1.091 107.703 108.800 -0.010 0.000 2.176 313 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.253 313 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.253 313 G C -0.087 174.809 174.900 -0.006 0.000 0.979 313 G CA 0.757 45.853 45.100 -0.006 0.000 0.641 313 G HN 0.490 nan 8.290 nan 0.000 0.530 314 K N 0.208 120.600 120.400 -0.012 0.000 2.293 314 K HA 0.590 4.909 4.320 -0.001 0.000 0.267 314 K C 0.195 176.787 176.600 -0.013 0.000 1.010 314 K CA -1.034 55.245 56.287 -0.013 0.000 0.875 314 K CB 1.543 34.030 32.500 -0.021 0.000 1.106 314 K HN 0.126 nan 8.250 nan 0.000 0.450 315 M N 2.553 122.150 119.600 -0.005 0.000 2.284 315 M HA -0.002 4.477 4.480 -0.001 0.000 0.351 315 M C -0.810 175.481 176.300 -0.014 0.000 1.443 315 M CA 1.156 56.455 55.300 -0.001 0.000 1.031 315 M CB 0.078 32.685 32.600 0.011 0.000 1.893 315 M HN 0.571 nan 8.290 nan 0.000 0.456 316 T N 7.144 121.684 114.554 -0.023 0.000 2.912 316 T HA 0.577 4.926 4.350 -0.001 0.000 0.299 316 T C -2.782 171.884 174.700 -0.056 0.000 1.052 316 T CA -1.085 60.988 62.100 -0.044 0.000 0.996 316 T CB 1.802 70.633 68.868 -0.062 0.000 1.070 316 T HN 0.389 nan 8.240 nan 0.000 0.465 317 P HA 0.429 nan 4.420 nan 0.000 0.284 317 P C -0.862 176.355 177.300 -0.138 0.000 1.343 317 P CA -0.303 62.745 63.100 -0.087 0.000 0.826 317 P CB 0.218 31.884 31.700 -0.058 0.000 0.956 318 L N 3.378 124.497 121.223 -0.173 0.000 2.332 318 L HA 0.677 5.016 4.340 -0.001 0.000 0.269 318 L C 0.021 176.730 176.870 -0.268 0.000 1.016 318 L CA -1.167 53.550 54.840 -0.204 0.000 0.809 318 L CB 1.561 43.514 42.059 -0.177 0.000 1.280 318 L HN 0.206 nan 8.230 nan 0.000 0.447 319 L N 0.275 121.350 121.223 -0.246 0.000 2.409 319 L HA 0.626 4.965 4.340 -0.001 0.000 0.272 319 L C -0.993 175.786 176.870 -0.152 0.000 0.980 319 L CA 0.169 54.858 54.840 -0.251 0.000 0.826 319 L CB 2.004 43.903 42.059 -0.265 0.000 1.268 319 L HN 0.584 nan 8.230 nan 0.000 0.407 320 S N 3.142 118.773 115.700 -0.116 0.000 2.566 320 S HA 0.665 5.134 4.470 -0.001 0.000 0.298 320 S C -1.568 173.064 174.600 0.052 0.000 1.083 320 S CA -0.504 57.663 58.200 -0.056 0.000 0.978 320 S CB 1.409 64.541 63.200 -0.113 0.000 1.073 320 S HN 0.789 nan 8.310 nan 0.000 0.491 321 H N 1.239 120.267 119.070 -0.069 0.000 3.129 321 H HA 0.344 4.899 4.556 -0.001 0.000 0.342 321 H C -2.001 173.286 175.328 -0.069 0.000 1.092 321 H CA -0.478 55.532 56.048 -0.062 0.000 1.310 321 H CB 0.705 30.460 29.762 -0.012 0.000 1.932 321 H HN 0.541 nan 8.280 nan 0.000 0.507 322 I N 4.579 124.815 120.570 -0.557 0.000 2.330 322 I HA 0.067 4.236 4.170 -0.001 0.000 0.286 322 I C 0.070 175.761 176.117 -0.709 0.000 1.025 322 I CA -0.403 60.567 61.300 -0.550 0.000 1.197 322 I CB 1.175 38.881 38.000 -0.490 0.000 1.358 322 I HN 0.530 nan 8.210 nan 0.000 0.467 323 D N 4.412 124.543 120.400 -0.448 0.000 2.358 323 D HA 0.172 4.811 4.640 -0.001 0.000 0.244 323 D C 1.389 177.592 176.300 -0.161 0.000 1.163 323 D CA -0.284 53.547 54.000 -0.280 0.000 0.945 323 D CB 1.180 42.027 40.800 0.079 0.000 1.152 323 D HN 0.284 nan 8.370 nan 0.000 0.451 324 R N 1.085 121.546 120.500 -0.064 0.000 2.127 324 R HA -0.147 4.192 4.340 -0.001 0.000 0.238 324 R C 1.294 177.299 176.300 -0.492 0.000 1.134 324 R CA 1.119 57.196 56.100 -0.038 0.000 0.975 324 R CB -0.816 29.613 30.300 0.214 0.000 0.865 324 R HN 0.600 nan 8.270 nan 0.000 0.447 325 N N 0.002 118.266 118.700 -0.727 0.000 2.609 325 N HA -0.066 4.674 4.740 -0.001 0.000 0.190 325 N C 1.005 175.946 175.510 -0.949 0.000 1.157 325 N CA 1.175 53.352 53.050 -1.456 0.000 0.918 325 N CB -0.162 37.889 38.487 -0.726 0.000 0.978 325 N HN 0.298 nan 8.380 nan 0.000 0.448 326 G N -0.913 107.566 108.800 -0.534 0.000 2.157 326 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.248 326 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.248 326 G C -0.395 174.357 174.900 -0.247 0.000 0.979 326 G CA 0.231 45.136 45.100 -0.324 0.000 0.650 326 G HN 0.310 nan 8.290 nan 0.000 0.529 327 I N 0.877 121.278 120.570 -0.283 0.000 2.377 327 I HA 0.485 4.655 4.170 -0.001 0.000 0.293 327 I C 0.516 176.315 176.117 -0.530 0.000 0.987 327 I CA -1.259 59.786 61.300 -0.424 0.000 1.185 327 I CB 1.498 39.147 38.000 -0.584 0.000 1.341 327 I HN 0.163 nan 8.210 nan 0.000 0.455 328 L N 7.587 128.484 121.223 -0.544 0.000 2.260 328 L HA 0.379 4.718 4.340 -0.001 0.000 0.289 328 L C -1.301 175.284 176.870 -0.476 0.000 1.057 328 L CA -0.311 54.239 54.840 -0.482 0.000 0.811 328 L CB 0.389 42.096 42.059 -0.587 0.000 1.184 328 L HN 0.380 nan 8.230 nan 0.000 0.429 329 Y N 2.846 123.056 120.300 -0.150 0.000 2.360 329 Y HA 0.510 5.059 4.550 -0.001 0.000 0.337 329 Y C 0.230 176.055 175.900 -0.125 0.000 1.039 329 Y CA -0.609 57.427 58.100 -0.106 0.000 1.109 329 Y CB 2.237 40.690 38.460 -0.012 0.000 1.201 329 Y HN 0.414 nan 8.280 nan 0.000 0.458 330 T N 4.854 119.405 114.554 -0.005 0.000 2.881 330 T HA 0.619 4.969 4.350 -0.001 0.000 0.291 330 T C -1.087 173.536 174.700 -0.129 0.000 0.990 330 T CA -0.536 61.517 62.100 -0.079 0.000 0.976 330 T CB 0.708 69.510 68.868 -0.109 0.000 0.970 330 T HN 0.227 nan 8.240 nan 0.000 0.438 331 L N 2.720 123.837 121.223 -0.176 0.000 2.309 331 L HA 0.584 4.923 4.340 -0.001 0.000 0.261 331 L C 0.319 177.018 176.870 -0.285 0.000 1.021 331 L CA -0.952 53.721 54.840 -0.278 0.000 0.823 331 L CB 1.349 43.169 42.059 -0.398 0.000 1.366 331 L HN 0.488 nan 8.230 nan 0.000 0.423 332 N N 1.138 119.636 118.700 -0.337 0.000 2.430 332 N HA 0.074 4.814 4.740 -0.001 0.000 0.265 332 N C 0.797 176.100 175.510 -0.345 0.000 1.100 332 N CA -0.181 52.698 53.050 -0.284 0.000 0.961 332 N CB 1.026 39.356 38.487 -0.263 0.000 1.075 332 N HN 0.678 nan 8.380 nan 0.000 0.478 333 R N 2.803 123.186 120.500 -0.196 0.000 2.316 333 R HA 0.039 4.379 4.340 -0.001 0.000 0.202 333 R C 0.647 177.113 176.300 0.277 0.000 1.029 333 R CA 0.886 56.985 56.100 -0.001 0.000 1.018 333 R CB 0.085 30.258 30.300 -0.212 0.000 0.888 333 R HN 0.572 nan 8.270 nan 0.000 0.471 334 E N 1.521 121.755 120.200 0.056 0.000 2.060 334 E HA -0.085 4.264 4.350 -0.001 0.000 0.189 334 E C 1.068 177.708 176.600 0.066 0.000 0.974 334 E CA 1.375 57.848 56.400 0.122 0.000 0.808 334 E CB 0.044 29.759 29.700 0.024 0.000 0.768 334 E HN 0.752 nan 8.360 nan 0.000 0.453 335 N N -1.441 117.113 118.700 -0.243 0.000 2.181 335 N HA 0.103 4.842 4.740 -0.001 0.000 0.207 335 N C 1.121 176.117 175.510 -0.858 0.000 1.182 335 N CA 0.486 53.315 53.050 -0.368 0.000 0.893 335 N CB 1.550 39.898 38.487 -0.231 0.000 1.032 335 N HN 0.157 nan 8.380 nan 0.000 0.513 336 G N 1.166 109.092 108.800 -1.457 0.000 2.176 336 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.253 336 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.253 336 G C -0.451 174.025 174.900 -0.706 0.000 0.979 336 G CA -0.295 43.796 45.100 -1.681 0.000 0.641 336 G HN 0.371 nan 8.290 nan 0.000 0.530 337 N N 0.139 118.532 118.700 -0.512 0.000 2.356 337 N HA 0.275 5.014 4.740 -0.001 0.000 0.252 337 N C 0.246 175.593 175.510 -0.272 0.000 1.241 337 N CA -0.042 52.825 53.050 -0.304 0.000 0.861 337 N CB 0.852 39.191 38.487 -0.246 0.000 1.075 337 N HN 0.379 nan 8.380 nan 0.000 0.461 338 L N 3.637 124.758 121.223 -0.169 0.000 2.313 338 L HA 0.277 4.617 4.340 -0.001 0.000 0.282 338 L C 0.696 177.475 176.870 -0.152 0.000 1.092 338 L CA 0.420 55.124 54.840 -0.226 0.000 0.831 338 L CB 0.253 42.172 42.059 -0.233 0.000 1.159 338 L HN 0.609 nan 8.230 nan 0.000 0.442 339 I N 4.140 124.617 120.570 -0.155 0.000 3.300 339 I HA 0.171 4.341 4.170 -0.001 0.000 0.279 339 I C -0.277 175.778 176.117 -0.103 0.000 1.172 339 I CA 0.215 61.443 61.300 -0.120 0.000 1.431 339 I CB 0.463 38.388 38.000 -0.124 0.000 1.240 339 I HN 0.280 nan 8.210 nan 0.000 0.453 340 V N 1.047 120.896 119.914 -0.109 0.000 2.709 340 V HA 0.766 4.886 4.120 -0.001 0.000 0.308 340 V C -0.723 175.285 176.094 -0.144 0.000 1.062 340 V CA -0.652 61.579 62.300 -0.116 0.000 0.901 340 V CB 1.771 33.521 31.823 -0.122 0.000 1.003 340 V HN 0.216 nan 8.190 nan 0.000 0.425 341 A N 3.228 125.936 122.820 -0.186 0.000 3.005 341 A HA 0.698 5.017 4.320 -0.001 0.000 0.308 341 A C -0.666 176.753 177.584 -0.274 0.000 1.173 341 A CA -0.501 51.344 52.037 -0.320 0.000 0.796 341 A CB 0.472 19.360 19.000 -0.187 0.000 1.325 341 A HN 0.614 nan 8.150 nan 0.000 0.467 342 E N 1.096 121.117 120.200 -0.299 0.000 2.244 342 E HA 0.346 4.696 4.350 -0.001 0.000 0.266 342 E C -0.713 175.753 176.600 -0.224 0.000 0.914 342 E CA -0.666 55.611 56.400 -0.205 0.000 0.794 342 E CB 1.896 31.507 29.700 -0.148 0.000 1.210 342 E HN 0.547 nan 8.360 nan 0.000 0.414 343 K N 0.906 121.228 120.400 -0.130 0.000 2.368 343 K HA 0.063 4.382 4.320 -0.001 0.000 0.282 343 K C 1.345 177.921 176.600 -0.041 0.000 1.035 343 K CA -0.113 56.118 56.287 -0.094 0.000 0.973 343 K CB 0.745 33.221 32.500 -0.039 0.000 0.957 343 K HN 0.291 nan 8.250 nan 0.000 0.474 344 V N -1.393 118.504 119.914 -0.030 0.000 3.217 344 V HA -0.014 4.106 4.120 -0.001 0.000 0.264 344 V C 0.498 176.719 176.094 0.212 0.000 1.135 344 V CA 0.913 63.261 62.300 0.079 0.000 1.142 344 V CB -0.370 31.463 31.823 0.017 0.000 0.754 344 V HN 0.776 nan 8.190 nan 0.000 0.484 345 D N 0.057 120.569 120.400 0.186 0.000 2.886 345 D HA 0.254 4.894 4.640 -0.001 0.000 0.216 345 D C -2.479 173.937 176.300 0.192 0.000 1.256 345 D CA -1.030 53.073 54.000 0.173 0.000 0.844 345 D CB 2.687 43.571 40.800 0.141 0.000 1.669 345 D HN -0.022 nan 8.370 nan 0.000 0.513 346 P HA -0.062 nan 4.420 nan 0.000 0.228 346 P C 1.002 178.369 177.300 0.110 0.000 1.151 346 P CA 0.466 63.627 63.100 0.101 0.000 0.770 346 P CB 0.190 31.938 31.700 0.081 0.000 0.786 347 A N 0.136 123.088 122.820 0.220 0.000 2.067 347 A HA 0.010 4.329 4.320 -0.001 0.000 0.219 347 A C 1.235 178.828 177.584 0.015 0.000 1.158 347 A CA 0.325 52.475 52.037 0.190 0.000 0.661 347 A CB -1.127 18.096 19.000 0.372 0.000 0.801 347 A HN 0.080 nan 8.150 nan 0.000 0.452 348 V N 2.408 122.315 119.914 -0.012 0.000 2.539 348 V HA -0.053 4.066 4.120 -0.001 0.000 0.300 348 V C 0.937 176.825 176.094 -0.344 0.000 1.019 348 V CA 1.144 63.243 62.300 -0.336 0.000 1.160 348 V CB -0.302 31.326 31.823 -0.323 0.000 0.901 348 V HN 0.867 nan 8.190 nan 0.000 0.481 349 N N 3.284 121.678 118.700 -0.509 0.000 2.143 349 N HA -0.029 4.710 4.740 -0.001 0.000 0.222 349 N C 0.885 176.147 175.510 -0.414 0.000 1.264 349 N CA 0.503 53.247 53.050 -0.510 0.000 0.897 349 N CB 0.130 38.059 38.487 -0.930 0.000 1.092 349 N HN 0.432 nan 8.380 nan 0.000 0.516 350 V N -2.289 117.264 119.914 -0.603 0.000 2.594 350 V HA 0.219 4.339 4.120 -0.001 0.000 0.253 350 V C 0.342 176.297 176.094 -0.232 0.000 1.069 350 V CA 0.793 62.726 62.300 -0.612 0.000 1.082 350 V CB -1.099 29.824 31.823 -1.500 0.000 0.680 350 V HN 0.103 nan 8.190 nan 0.000 0.469 351 F N -0.903 118.941 119.950 -0.176 0.000 2.551 351 F HA 0.609 5.136 4.527 -0.001 0.000 0.316 351 F C 1.156 176.921 175.800 -0.058 0.000 1.089 351 F CA -1.379 56.571 58.000 -0.084 0.000 0.915 351 F CB 1.833 40.769 39.000 -0.108 0.000 1.186 351 F HN -0.351 nan 8.300 nan 0.000 0.456 352 K N 1.371 121.884 120.400 0.188 0.000 2.103 352 K HA -0.014 4.306 4.320 -0.001 0.000 0.204 352 K C 0.072 176.720 176.600 0.080 0.000 1.052 352 K CA 1.177 57.526 56.287 0.103 0.000 0.945 352 K CB -0.020 32.533 32.500 0.087 0.000 0.722 352 K HN 0.798 nan 8.250 nan 0.000 0.443 353 K N -2.267 118.191 120.400 0.096 0.000 2.809 353 K HA 0.251 4.571 4.320 -0.001 0.000 0.293 353 K C -1.335 175.273 176.600 0.013 0.000 1.061 353 K CA -0.785 55.532 56.287 0.051 0.000 0.837 353 K CB 0.957 33.467 32.500 0.016 0.000 1.524 353 K HN -0.262 nan 8.250 nan 0.000 0.370 354 V N 1.578 121.479 119.914 -0.021 0.000 2.370 354 V HA 0.209 4.328 4.120 -0.001 0.000 0.283 354 V C -0.699 175.383 176.094 -0.020 0.000 1.023 354 V CA -0.474 61.796 62.300 -0.050 0.000 0.857 354 V CB 1.368 33.173 31.823 -0.030 0.000 0.985 354 V HN 0.740 nan 8.190 nan 0.000 0.443 355 D N 4.196 124.589 120.400 -0.011 0.000 2.325 355 D HA 0.176 4.815 4.640 -0.001 0.000 0.251 355 D C 1.015 177.334 176.300 0.032 0.000 1.196 355 D CA -0.058 53.946 54.000 0.006 0.000 0.866 355 D CB 1.506 42.310 40.800 0.006 0.000 1.101 355 D HN 0.453 nan 8.370 nan 0.000 0.476 356 L N 3.596 124.828 121.223 0.015 0.000 2.275 356 L HA -0.136 4.203 4.340 -0.001 0.000 0.215 356 L C 2.285 179.182 176.870 0.045 0.000 1.119 356 L CA 0.878 55.731 54.840 0.021 0.000 0.790 356 L CB -0.053 41.996 42.059 -0.016 0.000 0.919 356 L HN 0.320 nan 8.230 nan 0.000 0.443 357 K N -0.456 119.955 120.400 0.019 0.000 2.067 357 K HA -0.054 4.266 4.320 -0.001 0.000 0.203 357 K C 2.156 178.763 176.600 0.012 0.000 1.048 357 K CA 1.660 57.934 56.287 -0.022 0.000 0.954 357 K CB -0.171 32.298 32.500 -0.052 0.000 0.737 357 K HN 0.338 nan 8.250 nan 0.000 0.444 358 T N -2.232 112.363 114.554 0.068 0.000 3.023 358 T HA 0.071 4.421 4.350 -0.001 0.000 0.266 358 T C 1.516 176.390 174.700 0.290 0.000 1.093 358 T CA 0.767 62.949 62.100 0.138 0.000 1.129 358 T CB -0.006 68.903 68.868 0.067 0.000 0.899 358 T HN 0.374 nan 8.240 nan 0.000 0.491 359 G N 1.531 110.486 108.800 0.258 0.000 2.148 359 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.254 359 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.254 359 G C 0.227 175.241 174.900 0.191 0.000 0.981 359 G CA 0.654 45.940 45.100 0.309 0.000 0.670 359 G HN 1.270 nan 8.290 nan 0.000 0.528 360 T N -2.606 111.990 114.554 0.069 0.000 2.916 360 T HA 0.726 5.075 4.350 -0.001 0.000 0.292 360 T C -3.251 171.369 174.700 -0.132 0.000 1.055 360 T CA -2.029 60.037 62.100 -0.056 0.000 1.009 360 T CB 3.298 72.121 68.868 -0.076 0.000 1.118 360 T HN -0.029 nan 8.240 nan 0.000 0.497 361 P HA 0.306 nan 4.420 nan 0.000 0.271 361 P C -0.663 176.464 177.300 -0.288 0.000 1.216 361 P CA -0.491 62.270 63.100 -0.566 0.000 0.771 361 P CB 0.514 31.322 31.700 -1.487 0.000 0.864 362 V N 5.628 125.456 119.914 -0.144 0.000 2.356 362 V HA 0.143 4.263 4.120 -0.001 0.000 0.258 362 V C 0.923 177.059 176.094 0.070 0.000 1.065 362 V CA -0.193 62.095 62.300 -0.019 0.000 0.935 362 V CB -0.608 31.224 31.823 0.014 0.000 1.061 362 V HN 0.471 nan 8.190 nan 0.000 0.484 363 R N 2.934 123.495 120.500 0.102 0.000 2.543 363 R HA 0.240 4.579 4.340 -0.001 0.000 0.277 363 R C -0.166 176.265 176.300 0.218 0.000 1.074 363 R CA -0.386 55.864 56.100 0.250 0.000 1.076 363 R CB 0.621 31.075 30.300 0.258 0.000 0.993 363 R HN 0.555 nan 8.270 nan 0.000 0.459 364 D N 3.298 123.862 120.400 0.274 0.000 2.427 364 D HA 0.178 4.817 4.640 -0.001 0.000 0.226 364 D C -1.788 174.640 176.300 0.213 0.000 1.076 364 D CA -2.580 51.559 54.000 0.231 0.000 0.849 364 D CB 1.677 42.661 40.800 0.308 0.000 1.052 364 D HN 0.173 nan 8.370 nan 0.000 0.515 365 P HA -0.148 nan 4.420 nan 0.000 0.218 365 P C 1.042 178.332 177.300 -0.017 0.000 1.146 365 P CA 0.825 63.959 63.100 0.058 0.000 0.813 365 P CB 0.341 32.047 31.700 0.010 0.000 0.778 366 E N -1.309 118.826 120.200 -0.108 0.000 2.204 366 E HA -0.142 4.208 4.350 -0.001 0.000 0.195 366 E C 0.384 176.622 176.600 -0.603 0.000 0.990 366 E CA 0.799 56.957 56.400 -0.403 0.000 0.821 366 E CB -0.240 29.085 29.700 -0.625 0.000 0.750 366 E HN 0.283 nan 8.360 nan 0.000 0.477 367 F N -0.250 119.785 119.950 0.141 0.000 2.791 367 F HA 0.398 4.925 4.527 -0.001 0.000 0.308 367 F C 0.440 176.432 175.800 0.319 0.000 1.138 367 F CA -0.622 57.481 58.000 0.172 0.000 1.294 367 F CB 0.671 39.712 39.000 0.068 0.000 0.975 367 F HN -0.033 nan 8.300 nan 0.000 0.512 368 A N 0.358 123.382 122.820 0.340 0.000 2.246 368 A HA 0.727 5.047 4.320 -0.001 0.000 0.291 368 A C 0.431 178.047 177.584 0.053 0.000 1.103 368 A CA -0.046 52.153 52.037 0.269 0.000 0.844 368 A CB 0.254 19.329 19.000 0.124 0.000 1.136 368 A HN 0.222 nan 8.150 nan 0.000 0.500 369 T N -1.571 112.822 114.554 -0.269 0.000 2.908 369 T HA 0.818 5.167 4.350 -0.001 0.000 0.290 369 T C -0.638 173.999 174.700 -0.104 0.000 1.034 369 T CA -0.844 61.108 62.100 -0.248 0.000 1.010 369 T CB 1.427 69.797 68.868 -0.829 0.000 1.068 369 T HN 1.225 nan 8.240 nan 0.000 0.481 370 R N 1.214 121.766 120.500 0.086 0.000 2.753 370 R HA 0.399 4.739 4.340 -0.001 0.000 0.272 370 R C -0.904 175.497 176.300 0.169 0.000 1.034 370 R CA -1.157 54.998 56.100 0.091 0.000 0.869 370 R CB 0.678 31.002 30.300 0.040 0.000 1.264 370 R HN 0.467 nan 8.270 nan 0.000 0.481 371 M N 1.981 121.659 119.600 0.130 0.000 2.252 371 M HA 0.034 4.514 4.480 -0.001 0.000 0.329 371 M C -0.176 176.216 176.300 0.154 0.000 1.101 371 M CA 1.253 56.637 55.300 0.140 0.000 1.117 371 M CB -0.516 32.146 32.600 0.105 0.000 1.563 371 M HN 0.786 nan 8.290 nan 0.000 0.445 372 D N 1.675 122.168 120.400 0.155 0.000 2.689 372 D HA -0.233 4.406 4.640 -0.001 0.000 0.237 372 D C -0.422 176.001 176.300 0.205 0.000 1.148 372 D CA 1.108 55.195 54.000 0.145 0.000 0.656 372 D CB -1.424 39.441 40.800 0.108 0.000 1.050 372 D HN 0.786 nan 8.370 nan 0.000 0.426 373 H N -0.516 118.612 119.070 0.097 0.000 3.140 373 H HA 0.347 4.902 4.556 -0.001 0.000 0.336 373 H C -1.449 173.959 175.328 0.133 0.000 1.142 373 H CA -0.797 55.307 56.048 0.093 0.000 1.308 373 H CB 1.205 31.010 29.762 0.071 0.000 1.970 373 H HN -0.025 nan 8.280 nan 0.000 0.521 374 K N 3.874 123.951 120.400 -0.539 0.000 2.334 374 K HA 0.505 4.825 4.320 -0.001 0.000 0.265 374 K C -0.223 176.081 176.600 -0.493 0.000 1.039 374 K CA -0.566 55.542 56.287 -0.297 0.000 0.920 374 K CB 0.677 33.118 32.500 -0.098 0.000 1.160 374 K HN 0.756 nan 8.250 nan 0.000 0.451 375 G N 2.233 110.940 108.800 -0.155 0.000 2.432 375 G HA2 0.267 4.227 3.960 -0.001 0.000 0.257 375 G HA3 0.267 4.227 3.960 -0.001 0.000 0.257 375 G C -0.352 174.647 174.900 0.166 0.000 1.238 375 G CA -0.284 44.855 45.100 0.066 0.000 0.838 375 G HN 0.645 nan 8.290 nan 0.000 0.547 376 T N -0.807 113.869 114.554 0.204 0.000 2.907 376 T HA 0.424 4.774 4.350 -0.001 0.000 0.292 376 T C 0.228 175.163 174.700 0.390 0.000 1.043 376 T CA -0.917 61.343 62.100 0.266 0.000 1.003 376 T CB 1.627 70.603 68.868 0.180 0.000 1.084 376 T HN 0.573 nan 8.240 nan 0.000 0.483 377 N N 0.487 119.442 118.700 0.425 0.000 2.727 377 N HA -0.133 4.606 4.740 -0.001 0.000 0.249 377 N C -0.626 175.067 175.510 0.304 0.000 1.048 377 N CA 0.424 53.722 53.050 0.414 0.000 0.714 377 N CB -1.150 37.547 38.487 0.350 0.000 0.959 377 N HN 0.741 nan 8.380 nan 0.000 0.544 378 I N 0.635 121.369 120.570 0.273 0.000 2.371 378 I HA 0.139 4.308 4.170 -0.001 0.000 0.290 378 I C 0.573 176.635 176.117 -0.093 0.000 1.028 378 I CA -0.217 61.158 61.300 0.125 0.000 1.345 378 I CB 1.007 39.147 38.000 0.233 0.000 1.407 378 I HN 0.078 nan 8.210 nan 0.000 0.501 379 c N 7.253 125.664 118.600 -0.315 0.000 2.441 379 c HA 0.490 5.060 4.570 -0.001 0.000 0.318 379 c C -2.312 171.345 174.090 -0.721 0.000 1.222 379 c CA -1.372 54.694 56.329 -0.437 0.000 1.474 379 c CB 1.743 44.050 42.510 -0.339 0.000 2.125 379 c HN 0.453 nan 8.230 nan 0.000 0.479 380 P HA 0.276 nan 4.420 nan 0.000 0.276 380 P C -0.162 177.086 177.300 -0.087 0.000 1.261 380 P CA -0.111 62.512 63.100 -0.795 0.000 0.800 380 P CB 0.586 31.677 31.700 -1.016 0.000 1.066 381 S N -0.282 115.449 115.700 0.051 0.000 2.661 381 S HA 0.395 4.864 4.470 -0.001 0.000 0.265 381 S C 1.405 176.197 174.600 0.321 0.000 1.225 381 S CA 0.115 58.405 58.200 0.151 0.000 0.986 381 S CB -0.114 63.130 63.200 0.074 0.000 1.008 381 S HN 0.441 nan 8.310 nan 0.000 0.565 382 A N 0.292 123.309 122.820 0.329 0.000 2.019 382 A HA -0.006 4.314 4.320 -0.001 0.000 0.219 382 A C 2.137 180.019 177.584 0.497 0.000 1.164 382 A CA 1.321 53.602 52.037 0.406 0.000 0.644 382 A CB -0.999 18.287 19.000 0.477 0.000 0.805 382 A HN 0.829 nan 8.150 nan 0.000 0.449 383 M N -0.798 118.951 119.600 0.250 0.000 2.557 383 M HA 0.137 4.617 4.480 -0.001 0.000 0.259 383 M C 1.200 177.762 176.300 0.436 0.000 1.086 383 M CA 0.720 56.180 55.300 0.266 0.000 1.096 383 M CB -0.556 32.070 32.600 0.043 0.000 1.424 383 M HN 0.592 nan 8.290 nan 0.000 0.488 384 G N 0.187 109.215 108.800 0.381 0.000 2.846 384 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.660 384 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.660 384 G C -0.337 174.784 174.900 0.368 0.000 1.464 384 G CA -0.798 44.468 45.100 0.277 0.000 0.891 384 G HN 0.247 nan 8.290 nan 0.000 0.552 385 F N 1.214 121.167 119.950 0.004 0.000 2.797 385 F HA 0.311 4.837 4.527 -0.001 0.000 0.302 385 F C 1.313 177.160 175.800 0.077 0.000 1.130 385 F CA 0.747 58.765 58.000 0.030 0.000 1.387 385 F CB -0.099 38.880 39.000 -0.035 0.000 1.107 385 F HN 0.650 nan 8.300 nan 0.000 0.577 386 H N -0.383 118.771 119.070 0.141 0.000 3.129 386 H HA 0.238 4.794 4.556 -0.001 0.000 0.342 386 H C -1.072 174.248 175.328 -0.014 0.000 1.092 386 H CA -0.326 55.738 56.048 0.026 0.000 1.310 386 H CB 1.547 31.291 29.762 -0.031 0.000 1.932 386 H HN -0.036 nan 8.280 nan 0.000 0.507 387 N N 1.061 119.772 118.700 0.018 0.000 3.384 387 N HA -0.033 4.707 4.740 -0.001 0.000 0.352 387 N C 0.787 176.335 175.510 0.063 0.000 1.466 387 N CA 0.092 53.108 53.050 -0.057 0.000 0.629 387 N CB 0.882 38.948 38.487 -0.701 0.000 1.810 387 N HN 0.669 nan 8.380 nan 0.000 0.575 388 Q N 0.058 119.850 119.800 -0.012 0.000 2.561 388 Q HA 0.182 4.522 4.340 -0.001 0.000 0.217 388 Q C 0.630 176.853 176.000 0.372 0.000 0.980 388 Q CA 0.450 56.427 55.803 0.290 0.000 0.927 388 Q CB -0.875 28.135 28.738 0.453 0.000 0.980 388 Q HN 0.457 nan 8.270 nan 0.000 0.525 389 G N 0.146 108.998 108.800 0.088 0.000 2.491 389 G HA2 0.358 4.318 3.960 -0.001 0.000 0.238 389 G HA3 0.358 4.318 3.960 -0.001 0.000 0.238 389 G C -0.885 174.072 174.900 0.095 0.000 1.277 389 G CA -0.566 44.584 45.100 0.083 0.000 0.851 389 G HN 0.170 nan 8.290 nan 0.000 0.573 390 V N 3.576 123.423 119.914 -0.112 0.000 2.347 390 V HA 0.201 4.321 4.120 -0.001 0.000 0.280 390 V C -0.352 175.677 176.094 -0.109 0.000 1.021 390 V CA -0.787 61.303 62.300 -0.350 0.000 0.847 390 V CB 1.151 32.458 31.823 -0.860 0.000 0.990 390 V HN 0.681 nan 8.190 nan 0.000 0.444 391 D N 2.509 122.946 120.400 0.061 0.000 2.387 391 D HA 0.557 5.196 4.640 -0.001 0.000 0.251 391 D C 0.244 176.740 176.300 0.327 0.000 1.141 391 D CA -0.040 54.090 54.000 0.218 0.000 0.987 391 D CB 1.752 42.691 40.800 0.232 0.000 1.116 391 D HN 0.636 nan 8.370 nan 0.000 0.491 392 S N -0.590 115.369 115.700 0.431 0.000 2.600 392 S HA 0.586 5.055 4.470 -0.001 0.000 0.300 392 S C -1.211 173.667 174.600 0.463 0.000 1.087 392 S CA -0.881 57.636 58.200 0.528 0.000 0.965 392 S CB 1.661 65.246 63.200 0.643 0.000 1.089 392 S HN 0.457 nan 8.310 nan 0.000 0.496 393 Y N 1.263 121.731 120.300 0.281 0.000 2.391 393 Y HA 0.535 5.084 4.550 -0.001 0.000 0.341 393 Y C -1.282 174.675 175.900 0.095 0.000 0.965 393 Y CA -0.884 57.276 58.100 0.099 0.000 1.067 393 Y CB 1.680 40.194 38.460 0.089 0.000 1.199 393 Y HN 0.867 nan 8.280 nan 0.000 0.450 394 D N 8.494 128.469 120.400 -0.708 0.000 2.359 394 D HA 0.305 4.944 4.640 -0.001 0.000 0.230 394 D C -1.959 173.792 176.300 -0.914 0.000 1.118 394 D CA -2.669 50.844 54.000 -0.811 0.000 0.844 394 D CB 1.791 41.975 40.800 -1.028 0.000 1.059 394 D HN 0.362 nan 8.370 nan 0.000 0.493 395 P HA -0.115 nan 4.420 nan 0.000 0.223 395 P C 0.713 177.938 177.300 -0.125 0.000 1.151 395 P CA 0.891 63.847 63.100 -0.239 0.000 0.787 395 P CB 0.637 32.398 31.700 0.102 0.000 0.788 396 E N 0.545 120.682 120.200 -0.105 0.000 2.021 396 E HA -0.077 4.272 4.350 -0.001 0.000 0.189 396 E C 2.184 178.746 176.600 -0.063 0.000 0.980 396 E CA 1.699 58.079 56.400 -0.034 0.000 0.803 396 E CB -0.288 29.426 29.700 0.024 0.000 0.766 396 E HN 0.304 nan 8.360 nan 0.000 0.449 397 S N 0.128 115.759 115.700 -0.114 0.000 2.562 397 S HA 0.036 4.506 4.470 -0.001 0.000 0.221 397 S C 0.501 175.020 174.600 -0.135 0.000 0.975 397 S CA -0.173 57.975 58.200 -0.087 0.000 0.918 397 S CB -0.065 63.107 63.200 -0.046 0.000 0.772 397 S HN 0.158 nan 8.310 nan 0.000 0.531 398 R N 0.965 121.314 120.500 -0.252 0.000 3.152 398 R HA -0.097 4.242 4.340 -0.001 0.000 0.252 398 R C -1.098 175.098 176.300 -0.173 0.000 0.930 398 R CA 0.899 56.873 56.100 -0.210 0.000 0.642 398 R CB -2.756 27.567 30.300 0.038 0.000 1.205 398 R HN 0.503 nan 8.270 nan 0.000 0.452 399 T N 0.914 115.204 114.554 -0.440 0.000 2.886 399 T HA 0.529 4.878 4.350 -0.001 0.000 0.292 399 T C -0.524 173.809 174.700 -0.611 0.000 1.012 399 T CA -0.780 61.047 62.100 -0.455 0.000 0.982 399 T CB 2.251 70.782 68.868 -0.562 0.000 1.018 399 T HN 0.256 nan 8.240 nan 0.000 0.451 400 L N 3.202 124.185 121.223 -0.399 0.000 2.307 400 L HA 0.586 4.925 4.340 -0.001 0.000 0.284 400 L C -1.553 175.017 176.870 -0.500 0.000 1.023 400 L CA -0.575 54.108 54.840 -0.261 0.000 0.810 400 L CB 0.535 42.607 42.059 0.022 0.000 1.231 400 L HN 0.613 nan 8.230 nan 0.000 0.423 401 Y N 4.860 125.188 120.300 0.047 0.000 2.504 401 Y HA 0.638 5.188 4.550 -0.001 0.000 0.339 401 Y C 0.528 176.452 175.900 0.039 0.000 0.974 401 Y CA -0.644 57.431 58.100 -0.041 0.000 1.232 401 Y CB 0.874 39.370 38.460 0.061 0.000 1.108 401 Y HN 0.679 nan 8.280 nan 0.000 0.509 402 A N 2.243 125.123 122.820 0.100 0.000 2.301 402 A HA 0.686 5.005 4.320 -0.001 0.000 0.298 402 A C 0.633 178.229 177.584 0.019 0.000 1.185 402 A CA -0.366 51.758 52.037 0.145 0.000 0.830 402 A CB 0.276 19.439 19.000 0.271 0.000 1.112 402 A HN 0.868 nan 8.150 nan 0.000 0.508 403 G N 2.215 110.996 108.800 -0.032 0.000 2.393 403 G HA2 0.520 4.479 3.960 -0.001 0.000 0.311 403 G HA3 0.520 4.479 3.960 -0.001 0.000 0.311 403 G C -0.316 174.435 174.900 -0.249 0.000 1.067 403 G CA -0.286 44.737 45.100 -0.128 0.000 1.000 403 G HN 0.645 nan 8.290 nan 0.000 0.422 404 L N 1.844 122.974 121.223 -0.154 0.000 2.332 404 L HA 0.490 4.829 4.340 -0.001 0.000 0.269 404 L C 0.117 176.970 176.870 -0.028 0.000 1.016 404 L CA -1.082 53.685 54.840 -0.121 0.000 0.809 404 L CB 1.938 43.934 42.059 -0.105 0.000 1.280 404 L HN 0.460 nan 8.230 nan 0.000 0.447 405 N N -1.302 117.425 118.700 0.045 0.000 2.319 405 N HA 0.378 5.118 4.740 -0.001 0.000 0.305 405 N C -1.243 174.270 175.510 0.006 0.000 1.103 405 N CA -0.698 52.457 53.050 0.175 0.000 0.815 405 N CB 1.651 40.351 38.487 0.355 0.000 1.288 405 N HN 0.482 nan 8.380 nan 0.000 0.493 406 H N 1.864 120.889 119.070 -0.075 0.000 2.541 406 H HA 0.492 5.048 4.556 -0.001 0.000 0.246 406 H C -1.468 173.892 175.328 0.053 0.000 1.341 406 H CA -0.312 55.588 56.048 -0.246 0.000 1.469 406 H CB -0.143 29.588 29.762 -0.052 0.000 1.472 406 H HN 0.453 nan 8.280 nan 0.000 0.503 407 I N 3.105 123.741 120.570 0.110 0.000 2.569 407 I HA 0.323 4.492 4.170 -0.001 0.000 0.290 407 I C -0.445 175.739 176.117 0.112 0.000 1.088 407 I CA -0.617 60.738 61.300 0.090 0.000 1.047 407 I CB 1.786 39.858 38.000 0.120 0.000 1.237 407 I HN 0.445 nan 8.210 nan 0.000 0.421 408 c N 5.386 123.923 118.600 -0.105 0.000 2.803 408 c HA 0.886 5.456 4.570 -0.001 0.000 0.389 408 c C -0.078 173.675 174.090 -0.561 0.000 1.433 408 c CA -0.566 55.652 56.329 -0.185 0.000 1.714 408 c CB 1.865 44.351 42.510 -0.040 0.000 2.106 408 c HN 0.897 nan 8.230 nan 0.000 0.480 409 M N -0.025 119.359 119.600 -0.359 0.000 2.949 409 M HA 0.612 5.091 4.480 -0.001 0.000 0.270 409 M C -2.552 173.843 176.300 0.159 0.000 1.221 409 M CA -0.305 54.823 55.300 -0.286 0.000 0.818 409 M CB 1.810 34.420 32.600 0.016 0.000 1.635 409 M HN 0.366 nan 8.290 nan 0.000 0.492 410 D N 1.036 121.602 120.400 0.276 0.000 2.252 410 D HA 0.660 5.300 4.640 -0.001 0.000 0.245 410 D C -1.865 174.671 176.300 0.393 0.000 1.009 410 D CA 0.424 54.631 54.000 0.345 0.000 0.870 410 D CB 2.205 43.200 40.800 0.325 0.000 1.251 410 D HN 0.629 nan 8.370 nan 0.000 0.460 411 W N 2.195 123.578 121.300 0.137 0.000 3.439 411 W HA 0.353 5.012 4.660 -0.001 0.000 0.323 411 W C -1.783 174.791 176.519 0.092 0.000 1.174 411 W CA -0.551 56.873 57.345 0.132 0.000 1.224 411 W CB 1.201 30.744 29.460 0.138 0.000 1.348 411 W HN 0.389 nan 8.180 nan 0.000 0.498 412 E N 7.910 128.273 120.200 0.272 0.000 2.278 412 E HA 0.450 4.799 4.350 -0.001 0.000 0.272 412 E C -2.567 174.115 176.600 0.136 0.000 0.890 412 E CA -1.936 54.625 56.400 0.270 0.000 0.770 412 E CB 3.395 33.194 29.700 0.164 0.000 1.212 412 E HN -0.003 nan 8.360 nan 0.000 0.415 413 P HA 0.416 nan 4.420 nan 0.000 0.281 413 P C -1.031 176.356 177.300 0.144 0.000 1.281 413 P CA -0.444 62.690 63.100 0.056 0.000 0.811 413 P CB 0.709 32.517 31.700 0.181 0.000 1.154 414 F N -2.733 117.225 119.950 0.014 0.000 2.678 414 F HA 0.500 5.027 4.527 -0.001 0.000 0.308 414 F C -0.767 175.041 175.800 0.013 0.000 1.118 414 F CA -1.573 56.435 58.000 0.013 0.000 0.959 414 F CB 0.502 39.496 39.000 -0.009 0.000 1.305 414 F HN -0.038 nan 8.300 nan 0.000 0.443 415 M N 4.083 123.832 119.600 0.248 0.000 2.245 415 M HA 0.587 5.066 4.480 -0.001 0.000 0.344 415 M C -0.352 176.090 176.300 0.237 0.000 1.170 415 M CA -0.202 55.198 55.300 0.166 0.000 1.135 415 M CB 0.657 33.346 32.600 0.149 0.000 1.574 415 M HN 0.865 nan 8.290 nan 0.000 0.452 416 L N 1.988 123.315 121.223 0.173 0.000 2.582 416 L HA 0.826 5.165 4.340 -0.001 0.000 0.257 416 L C -2.922 174.116 176.870 0.279 0.000 0.974 416 L CA -1.528 53.445 54.840 0.223 0.000 0.851 416 L CB 2.265 44.452 42.059 0.214 0.000 1.424 416 L HN 0.433 nan 8.230 nan 0.000 0.412 417 P HA 0.279 nan 4.420 nan 0.000 0.281 417 P C -1.885 175.542 177.300 0.211 0.000 1.264 417 P CA -0.259 62.967 63.100 0.209 0.000 0.824 417 P CB 1.279 33.038 31.700 0.098 0.000 1.092 418 Y N 1.449 121.679 120.300 -0.117 0.000 2.328 418 Y HA 0.497 5.046 4.550 -0.001 0.000 0.337 418 Y C -0.053 175.687 175.900 -0.267 0.000 1.008 418 Y CA -0.734 57.074 58.100 -0.486 0.000 1.129 418 Y CB 1.144 39.047 38.460 -0.928 0.000 1.185 418 Y HN 0.354 nan 8.280 nan 0.000 0.476 419 R N 5.304 125.183 120.500 -1.035 0.000 2.500 419 R HA 0.683 5.023 4.340 -0.001 0.000 0.299 419 R C -1.216 174.495 176.300 -0.982 0.000 1.038 419 R CA -0.752 54.868 56.100 -0.799 0.000 0.903 419 R CB 0.945 31.030 30.300 -0.358 0.000 1.177 419 R HN 0.921 nan 8.270 nan 0.000 0.455 420 A N 2.339 124.590 122.820 -0.948 0.000 2.580 420 A HA 0.354 4.674 4.320 -0.001 0.000 0.244 420 A C 1.313 178.712 177.584 -0.309 0.000 1.045 420 A CA 1.342 53.073 52.037 -0.510 0.000 0.761 420 A CB -0.287 18.600 19.000 -0.189 0.000 0.962 420 A HN 1.278 nan 8.150 nan 0.000 0.512 421 G N 1.212 109.866 108.800 -0.243 0.000 2.213 421 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.226 421 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.226 421 G C 0.135 174.900 174.900 -0.224 0.000 0.992 421 G CA 0.308 45.291 45.100 -0.196 0.000 0.632 421 G HN 0.867 nan 8.290 nan 0.000 0.511 422 Q N -0.399 119.252 119.800 -0.249 0.000 2.248 422 Q HA 0.689 5.029 4.340 -0.001 0.000 0.263 422 Q C -0.085 175.822 176.000 -0.156 0.000 1.007 422 Q CA -0.881 54.821 55.803 -0.167 0.000 0.877 422 Q CB 1.156 29.824 28.738 -0.117 0.000 1.315 422 Q HN 0.188 nan 8.270 nan 0.000 0.454 423 F N 0.994 120.921 119.950 -0.038 0.000 2.545 423 F HA 0.024 4.551 4.527 -0.001 0.000 0.348 423 F C 0.735 176.605 175.800 0.116 0.000 1.163 423 F CA 0.444 58.441 58.000 -0.006 0.000 1.331 423 F CB 0.320 39.269 39.000 -0.086 0.000 1.138 423 F HN 0.402 nan 8.300 nan 0.000 0.602 424 F N 3.365 123.374 119.950 0.099 0.000 2.566 424 F HA 0.380 4.907 4.527 -0.001 0.000 0.347 424 F C -0.284 175.496 175.800 -0.033 0.000 1.515 424 F CA -0.601 57.440 58.000 0.069 0.000 1.103 424 F CB -0.430 38.680 39.000 0.182 0.000 1.385 424 F HN 0.172 nan 8.300 nan 0.000 0.560 425 V N 1.098 120.854 119.914 -0.264 0.000 2.339 425 V HA 0.286 4.405 4.120 -0.001 0.000 0.234 425 V C 1.745 177.440 176.094 -0.665 0.000 1.053 425 V CA 1.204 63.101 62.300 -0.672 0.000 1.042 425 V CB -1.024 30.259 31.823 -0.900 0.000 0.678 425 V HN 0.717 nan 8.190 nan 0.000 0.475 426 G N 0.235 108.582 108.800 -0.755 0.000 2.212 426 G HA2 0.182 4.141 3.960 -0.001 0.000 0.255 426 G HA3 0.182 4.141 3.960 -0.001 0.000 0.255 426 G C -0.088 174.052 174.900 -1.266 0.000 1.062 426 G CA 0.361 44.733 45.100 -1.213 0.000 0.815 426 G HN 1.460 nan 8.290 nan 0.000 0.497 427 A N -1.181 121.036 122.820 -1.005 0.000 2.589 427 A HA 0.878 5.198 4.320 -0.001 0.000 0.296 427 A C -0.315 177.096 177.584 -0.289 0.000 1.062 427 A CA 0.265 51.917 52.037 -0.641 0.000 0.686 427 A CB 1.385 19.839 19.000 -0.910 0.000 1.282 427 A HN 0.946 nan 8.150 nan 0.000 0.404 428 T N 3.015 117.498 114.554 -0.118 0.000 2.792 428 T HA 0.631 4.981 4.350 -0.001 0.000 0.280 428 T C -0.641 174.027 174.700 -0.054 0.000 0.990 428 T CA -0.373 61.725 62.100 -0.005 0.000 0.960 428 T CB 0.625 69.550 68.868 0.095 0.000 0.939 428 T HN 0.446 nan 8.240 nan 0.000 0.439 429 L N 1.907 123.142 121.223 0.019 0.000 2.309 429 L HA 0.934 5.273 4.340 -0.001 0.000 0.261 429 L C -0.178 176.781 176.870 0.149 0.000 1.021 429 L CA -1.264 53.646 54.840 0.117 0.000 0.823 429 L CB 1.399 43.571 42.059 0.189 0.000 1.366 429 L HN 0.761 nan 8.230 nan 0.000 0.423 430 A N 2.153 125.083 122.820 0.183 0.000 2.359 430 A HA 0.859 5.179 4.320 -0.001 0.000 0.303 430 A C -0.784 176.869 177.584 0.116 0.000 1.066 430 A CA -0.431 51.724 52.037 0.197 0.000 0.730 430 A CB 1.418 20.579 19.000 0.267 0.000 1.211 430 A HN 0.699 nan 8.150 nan 0.000 0.439 431 M N 2.226 121.859 119.600 0.054 0.000 2.528 431 M HA 0.697 5.176 4.480 -0.001 0.000 0.321 431 M C -1.096 175.145 176.300 -0.097 0.000 1.153 431 M CA -0.552 54.636 55.300 -0.185 0.000 0.951 431 M CB 2.089 34.644 32.600 -0.075 0.000 1.705 431 M HN 0.820 nan 8.290 nan 0.000 0.451 432 Y N -0.515 119.808 120.300 0.037 0.000 2.689 432 Y HA 0.713 5.262 4.550 -0.001 0.000 0.333 432 Y C -3.164 172.726 175.900 -0.017 0.000 1.208 432 Y CA -3.161 54.937 58.100 -0.004 0.000 1.055 432 Y CB -0.423 38.046 38.460 0.015 0.000 1.304 432 Y HN 0.386 nan 8.280 nan 0.000 0.455 433 P HA 0.174 nan 4.420 nan 0.000 0.267 433 P C 0.339 177.717 177.300 0.129 0.000 1.200 433 P CA 0.613 63.774 63.100 0.102 0.000 0.772 433 P CB 0.637 32.377 31.700 0.067 0.000 0.855 434 G N 3.182 111.949 108.800 -0.055 0.000 2.684 434 G HA2 0.152 4.111 3.960 -0.001 0.000 0.255 434 G HA3 0.152 4.111 3.960 -0.001 0.000 0.255 434 G C -1.513 173.425 174.900 0.064 0.000 1.219 434 G CA -0.819 44.095 45.100 -0.309 0.000 0.901 434 G HN 0.369 nan 8.290 nan 0.000 0.548 435 P HA 0.023 nan 4.420 nan 0.000 0.245 435 P C 0.475 177.889 177.300 0.190 0.000 1.206 435 P CA 0.436 63.635 63.100 0.166 0.000 0.781 435 P CB 0.474 32.247 31.700 0.122 0.000 0.994 436 N N -0.016 118.934 118.700 0.417 0.000 2.236 436 N HA 0.084 4.823 4.740 -0.001 0.000 0.196 436 N C 1.170 176.450 175.510 -0.384 0.000 1.114 436 N CA 0.158 53.264 53.050 0.092 0.000 0.859 436 N CB 0.144 38.741 38.487 0.183 0.000 0.982 436 N HN 0.105 nan 8.380 nan 0.000 0.493 437 G N 1.722 110.179 108.800 -0.572 0.000 2.544 437 G HA2 0.140 4.099 3.960 -0.001 0.000 0.242 437 G HA3 0.140 4.099 3.960 -0.001 0.000 0.242 437 G C -1.388 172.995 174.900 -0.861 0.000 1.247 437 G CA -0.720 43.595 45.100 -1.308 0.000 0.840 437 G HN -0.032 nan 8.290 nan 0.000 0.578 438 P HA -0.132 nan 4.420 nan 0.000 0.217 438 P C 1.753 178.862 177.300 -0.318 0.000 1.151 438 P CA 2.318 65.104 63.100 -0.523 0.000 0.849 438 P CB 0.221 31.640 31.700 -0.468 0.000 0.787 439 T N -6.000 108.375 114.554 -0.297 0.000 3.132 439 T HA 0.302 4.651 4.350 -0.001 0.000 0.274 439 T C 0.537 175.143 174.700 -0.157 0.000 1.011 439 T CA -0.532 61.457 62.100 -0.186 0.000 0.899 439 T CB -0.560 68.219 68.868 -0.149 0.000 1.089 439 T HN 0.015 nan 8.240 nan 0.000 0.543 440 K N 0.404 120.690 120.400 -0.190 0.000 3.274 440 K HA -0.179 4.140 4.320 -0.001 0.000 0.300 440 K C 0.651 177.208 176.600 -0.071 0.000 1.230 440 K CA 0.875 57.095 56.287 -0.110 0.000 0.884 440 K CB -0.777 31.683 32.500 -0.068 0.000 1.242 440 K HN 0.288 nan 8.250 nan 0.000 0.467 441 K N 0.433 120.768 120.400 -0.107 0.000 2.464 441 K HA 0.092 4.411 4.320 -0.001 0.000 0.206 441 K C -0.057 176.486 176.600 -0.095 0.000 1.186 441 K CA 0.292 56.526 56.287 -0.087 0.000 0.990 441 K CB 0.535 32.972 32.500 -0.104 0.000 1.003 441 K HN 0.161 nan 8.250 nan 0.000 0.562 442 E N 1.105 121.244 120.200 -0.101 0.000 2.384 442 E HA 0.090 4.440 4.350 -0.001 0.000 0.266 442 E C 0.662 177.356 176.600 0.158 0.000 1.012 442 E CA 0.518 56.913 56.400 -0.008 0.000 0.901 442 E CB 0.489 30.203 29.700 0.023 0.000 0.967 442 E HN 0.028 nan 8.360 nan 0.000 0.435 443 M N 1.482 121.161 119.600 0.132 0.000 2.347 443 M HA 0.276 4.755 4.480 -0.001 0.000 0.302 443 M C 0.429 176.882 176.300 0.254 0.000 1.051 443 M CA -0.080 55.334 55.300 0.191 0.000 0.988 443 M CB 1.091 33.719 32.600 0.046 0.000 1.475 443 M HN 0.493 nan 8.290 nan 0.000 0.530 444 G N 0.621 109.569 108.800 0.245 0.000 2.563 444 G HA2 0.784 4.744 3.960 -0.001 0.000 0.302 444 G HA3 0.784 4.744 3.960 -0.001 0.000 0.302 444 G C -1.437 173.453 174.900 -0.016 0.000 1.301 444 G CA -0.272 44.926 45.100 0.162 0.000 0.965 444 G HN 0.208 nan 8.290 nan 0.000 0.480 445 Q N -0.099 119.596 119.800 -0.175 0.000 2.391 445 Q HA 0.404 4.744 4.340 -0.001 0.000 0.279 445 Q C -1.326 174.499 176.000 -0.292 0.000 1.028 445 Q CA -0.839 54.719 55.803 -0.408 0.000 0.836 445 Q CB 2.964 31.262 28.738 -0.733 0.000 1.414 445 Q HN 0.365 nan 8.270 nan 0.000 0.397 446 I N 2.147 122.549 120.570 -0.281 0.000 2.354 446 I HA 0.442 4.611 4.170 -0.001 0.000 0.286 446 I C -0.550 175.422 176.117 -0.241 0.000 1.007 446 I CA -0.228 60.938 61.300 -0.224 0.000 1.167 446 I CB 1.228 39.108 38.000 -0.201 0.000 1.320 446 I HN 0.557 nan 8.210 nan 0.000 0.458 447 R N 4.637 124.918 120.500 -0.364 0.000 2.513 447 R HA 0.763 5.102 4.340 -0.001 0.000 0.301 447 R C -0.808 174.968 176.300 -0.873 0.000 0.968 447 R CA -0.481 55.231 56.100 -0.647 0.000 0.872 447 R CB 1.862 31.796 30.300 -0.609 0.000 1.177 447 R HN 0.711 nan 8.270 nan 0.000 0.444 448 A N 4.345 126.370 122.820 -1.325 0.000 2.331 448 A HA 0.597 4.916 4.320 -0.001 0.000 0.283 448 A C -1.167 175.821 177.584 -0.994 0.000 1.142 448 A CA -0.107 51.226 52.037 -1.173 0.000 0.812 448 A CB 0.224 18.242 19.000 -1.636 0.000 1.074 448 A HN 0.600 nan 8.150 nan 0.000 0.497 449 F N 0.424 120.100 119.950 -0.456 0.000 2.588 449 F HA 0.350 4.877 4.527 -0.001 0.000 0.314 449 F C 0.014 175.676 175.800 -0.231 0.000 1.069 449 F CA -0.694 57.131 58.000 -0.291 0.000 0.931 449 F CB 2.074 40.941 39.000 -0.221 0.000 1.260 449 F HN 0.578 nan 8.300 nan 0.000 0.465 450 D N 2.721 123.164 120.400 0.071 0.000 2.317 450 D HA 0.238 4.878 4.640 -0.001 0.000 0.234 450 D C 0.626 176.944 176.300 0.030 0.000 1.112 450 D CA -0.053 53.959 54.000 0.021 0.000 0.840 450 D CB 1.264 42.066 40.800 0.004 0.000 1.078 450 D HN 0.569 nan 8.370 nan 0.000 0.486 451 L N 2.900 124.132 121.223 0.014 0.000 2.465 451 L HA -0.071 4.269 4.340 -0.001 0.000 0.224 451 L C 2.300 179.135 176.870 -0.059 0.000 1.145 451 L CA 0.985 55.799 54.840 -0.043 0.000 0.834 451 L CB -0.303 41.718 42.059 -0.064 0.000 0.944 451 L HN 0.495 nan 8.230 nan 0.000 0.451 452 T N -5.326 109.208 114.554 -0.034 0.000 3.067 452 T HA -0.040 4.310 4.350 -0.001 0.000 0.257 452 T C 1.562 176.235 174.700 -0.045 0.000 1.105 452 T CA 1.011 63.085 62.100 -0.043 0.000 1.104 452 T CB -0.083 68.769 68.868 -0.027 0.000 0.925 452 T HN 0.393 nan 8.240 nan 0.000 0.498 453 T N -3.561 110.971 114.554 -0.035 0.000 2.954 453 T HA 0.499 4.848 4.350 -0.001 0.000 0.252 453 T C 1.900 176.577 174.700 -0.038 0.000 0.983 453 T CA 0.692 62.773 62.100 -0.033 0.000 0.941 453 T CB -0.108 68.751 68.868 -0.015 0.000 1.141 453 T HN 0.884 nan 8.240 nan 0.000 0.500 454 G N 2.046 110.824 108.800 -0.037 0.000 2.159 454 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.256 454 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.256 454 G C -0.067 174.887 174.900 0.090 0.000 0.977 454 G CA 0.066 45.129 45.100 -0.062 0.000 0.652 454 G HN 0.606 nan 8.290 nan 0.000 0.531 455 K N 0.705 121.170 120.400 0.110 0.000 2.205 455 K HA 0.716 5.036 4.320 -0.001 0.000 0.279 455 K C 0.668 177.333 176.600 0.109 0.000 1.027 455 K CA 0.238 56.594 56.287 0.115 0.000 0.932 455 K CB 1.503 34.021 32.500 0.030 0.000 1.032 455 K HN 0.619 nan 8.250 nan 0.000 0.466 456 A N 2.580 125.374 122.820 -0.044 0.000 2.371 456 A HA 0.183 4.503 4.320 -0.001 0.000 0.257 456 A C 0.734 178.138 177.584 -0.299 0.000 1.089 456 A CA -0.039 51.724 52.037 -0.457 0.000 0.794 456 A CB 0.367 19.009 19.000 -0.596 0.000 1.029 456 A HN 0.729 nan 8.150 nan 0.000 0.488 457 K N 0.692 120.851 120.400 -0.402 0.000 2.313 457 K HA 0.163 4.483 4.320 -0.001 0.000 0.197 457 K C -0.086 176.501 176.600 -0.021 0.000 1.061 457 K CA 0.672 56.844 56.287 -0.193 0.000 0.980 457 K CB 0.422 32.809 32.500 -0.189 0.000 0.888 457 K HN 0.886 nan 8.250 nan 0.000 0.502 458 W N -0.544 120.640 121.300 -0.194 0.000 2.982 458 W HA 0.390 5.050 4.660 -0.001 0.000 0.344 458 W C -1.691 174.692 176.519 -0.228 0.000 1.215 458 W CA -0.786 56.464 57.345 -0.159 0.000 1.182 458 W CB 0.631 30.036 29.460 -0.091 0.000 1.437 458 W HN -0.380 nan 8.180 nan 0.000 0.570 459 T N 2.071 116.802 114.554 0.295 0.000 2.952 459 T HA 0.384 4.734 4.350 -0.001 0.000 0.305 459 T C -1.242 173.524 174.700 0.110 0.000 1.064 459 T CA -0.721 61.408 62.100 0.049 0.000 1.008 459 T CB 2.602 71.328 68.868 -0.237 0.000 1.078 459 T HN 0.441 nan 8.240 nan 0.000 0.459 460 K N 2.174 122.593 120.400 0.031 0.000 2.463 460 K HA 0.439 4.759 4.320 -0.001 0.000 0.255 460 K C -1.409 175.133 176.600 -0.097 0.000 0.942 460 K CA -0.717 55.591 56.287 0.036 0.000 0.814 460 K CB 1.243 33.800 32.500 0.094 0.000 1.122 460 K HN 0.532 nan 8.250 nan 0.000 0.425 461 W N 2.602 123.899 121.300 -0.006 0.000 2.313 461 W HA 0.276 4.936 4.660 -0.001 0.000 0.328 461 W C 0.328 176.843 176.519 -0.006 0.000 1.197 461 W CA -0.240 57.086 57.345 -0.033 0.000 1.235 461 W CB 1.008 30.429 29.460 -0.066 0.000 1.158 461 W HN 0.325 nan 8.180 nan 0.000 0.578 462 E N 1.592 121.945 120.200 0.256 0.000 2.266 462 E HA 0.093 4.443 4.350 -0.001 0.000 0.268 462 E C 0.681 177.360 176.600 0.131 0.000 0.879 462 E CA -0.743 55.770 56.400 0.188 0.000 0.762 462 E CB 2.249 32.079 29.700 0.216 0.000 1.199 462 E HN 0.460 nan 8.360 nan 0.000 0.422 463 K N 2.032 122.429 120.400 -0.005 0.000 2.032 463 K HA -0.073 4.246 4.320 -0.001 0.000 0.209 463 K C 0.023 176.386 176.600 -0.395 0.000 1.048 463 K CA 1.405 57.524 56.287 -0.280 0.000 0.927 463 K CB 0.125 32.322 32.500 -0.504 0.000 0.712 463 K HN 0.253 nan 8.250 nan 0.000 0.441 464 F N 0.011 120.045 119.950 0.140 0.000 2.541 464 F HA 0.446 4.973 4.527 -0.001 0.000 0.331 464 F C 0.289 176.265 175.800 0.294 0.000 1.057 464 F CA -1.253 56.883 58.000 0.226 0.000 0.975 464 F CB 1.025 40.200 39.000 0.292 0.000 1.246 464 F HN -0.045 nan 8.300 nan 0.000 0.484 465 A N 0.867 124.062 122.820 0.624 0.000 2.561 465 A HA 0.399 4.718 4.320 -0.001 0.000 0.234 465 A C 0.121 177.997 177.584 0.486 0.000 1.055 465 A CA 0.043 52.402 52.037 0.536 0.000 0.756 465 A CB -0.475 18.967 19.000 0.736 0.000 0.986 465 A HN 0.926 nan 8.150 nan 0.000 0.505 466 A N 2.788 125.811 122.820 0.339 0.000 2.922 466 A HA 0.286 4.605 4.320 -0.001 0.000 0.298 466 A C 0.755 178.523 177.584 0.307 0.000 1.588 466 A CA -0.479 51.726 52.037 0.280 0.000 1.288 466 A CB -0.626 18.418 19.000 0.074 0.000 1.130 466 A HN 1.046 nan 8.150 nan 0.000 0.557 467 W N 2.298 123.714 121.300 0.194 0.000 2.453 467 W HA -0.080 4.580 4.660 -0.000 0.000 0.289 467 W C 1.588 178.238 176.519 0.218 0.000 1.215 467 W CA 1.590 59.052 57.345 0.195 0.000 1.297 467 W CB 0.078 29.658 29.460 0.200 0.000 1.113 467 W HN 0.712 nan 8.180 nan 0.000 0.551 468 G N 0.070 109.116 108.800 0.410 0.000 2.430 468 G HA2 0.263 4.222 3.960 -0.001 0.000 0.216 468 G HA3 0.263 4.222 3.960 -0.001 0.000 0.216 468 G C 0.655 175.689 174.900 0.223 0.000 1.146 468 G CA 1.009 46.311 45.100 0.335 0.000 0.793 468 G HN 0.497 nan 8.290 nan 0.000 0.537 469 G N -1.527 107.392 108.800 0.199 0.000 2.396 469 G HA2 0.396 4.355 3.960 -0.001 0.000 0.254 469 G HA3 0.396 4.355 3.960 -0.001 0.000 0.254 469 G C -0.246 174.817 174.900 0.271 0.000 1.248 469 G CA 0.224 45.418 45.100 0.155 0.000 1.033 469 G HN 1.394 nan 8.290 nan 0.000 0.502 470 T N -2.598 112.145 114.554 0.315 0.000 2.883 470 T HA 0.759 5.108 4.350 -0.001 0.000 0.301 470 T C -1.111 173.942 174.700 0.588 0.000 1.158 470 T CA -0.163 62.202 62.100 0.442 0.000 1.007 470 T CB 2.089 71.191 68.868 0.390 0.000 1.186 470 T HN 2.042 nan 8.240 nan 0.000 0.499 471 L N 1.830 123.384 121.223 0.550 0.000 2.365 471 L HA 0.783 5.122 4.340 -0.001 0.000 0.273 471 L C -1.770 175.378 176.870 0.464 0.000 1.000 471 L CA -0.942 54.150 54.840 0.420 0.000 0.819 471 L CB 1.838 43.998 42.059 0.168 0.000 1.284 471 L HN 0.872 nan 8.230 nan 0.000 0.418 472 Y N 3.305 123.793 120.300 0.314 0.000 2.335 472 Y HA 0.710 5.260 4.550 -0.001 0.000 0.338 472 Y C -0.458 175.591 175.900 0.248 0.000 0.977 472 Y CA -0.378 57.894 58.100 0.287 0.000 1.114 472 Y CB 1.561 40.219 38.460 0.330 0.000 1.182 472 Y HN 0.788 nan 8.280 nan 0.000 0.463 473 T N 2.169 116.294 114.554 -0.716 0.000 2.863 473 T HA 0.268 4.617 4.350 -0.001 0.000 0.285 473 T C 0.702 174.940 174.700 -0.770 0.000 1.009 473 T CA -1.065 60.755 62.100 -0.467 0.000 0.989 473 T CB 1.865 70.698 68.868 -0.057 0.000 1.004 473 T HN 0.794 nan 8.240 nan 0.000 0.455 474 K N 1.746 121.956 120.400 -0.317 0.000 2.366 474 K HA -0.089 4.230 4.320 -0.001 0.000 0.202 474 K C 2.017 178.587 176.600 -0.049 0.000 1.045 474 K CA 1.509 57.748 56.287 -0.080 0.000 0.934 474 K CB -0.801 31.724 32.500 0.040 0.000 0.746 474 K HN 0.871 nan 8.250 nan 0.000 0.470 475 G N -0.399 108.341 108.800 -0.100 0.000 2.708 475 G HA2 0.012 3.971 3.960 -0.001 0.000 0.210 475 G HA3 0.012 3.971 3.960 -0.001 0.000 0.210 475 G C 0.703 175.576 174.900 -0.044 0.000 1.141 475 G CA 0.371 45.441 45.100 -0.051 0.000 0.788 475 G HN 0.480 nan 8.290 nan 0.000 0.531 476 G N -0.891 107.886 108.800 -0.039 0.000 2.203 476 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.231 476 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.231 476 G C -0.064 174.831 174.900 -0.009 0.000 1.058 476 G CA 0.032 45.193 45.100 0.101 0.000 0.781 476 G HN 0.534 nan 8.290 nan 0.000 0.496 477 L N -0.444 120.671 121.223 -0.180 0.000 2.386 477 L HA 0.714 5.053 4.340 -0.001 0.000 0.271 477 L C 0.086 176.802 176.870 -0.256 0.000 0.993 477 L CA -1.433 53.217 54.840 -0.317 0.000 0.819 477 L CB 2.453 44.180 42.059 -0.555 0.000 1.294 477 L HN -0.068 nan 8.230 nan 0.000 0.414 478 V N 1.197 120.962 119.914 -0.249 0.000 2.328 478 V HA 0.319 4.439 4.120 -0.001 0.000 0.278 478 V C -0.942 175.168 176.094 0.027 0.000 1.021 478 V CA -0.450 61.835 62.300 -0.026 0.000 0.838 478 V CB 0.763 32.553 31.823 -0.055 0.000 0.999 478 V HN 0.557 nan 8.190 nan 0.000 0.447 479 W N 5.644 127.056 121.300 0.186 0.000 2.496 479 W HA 0.734 5.394 4.660 -0.001 0.000 0.327 479 W C -0.309 176.428 176.519 0.364 0.000 1.086 479 W CA -0.596 56.866 57.345 0.195 0.000 1.222 479 W CB 0.993 30.493 29.460 0.067 0.000 1.304 479 W HN 0.684 nan 8.180 nan 0.000 0.547 480 Y N -0.237 120.294 120.300 0.385 0.000 2.604 480 Y HA 0.795 5.345 4.550 -0.001 0.000 0.331 480 Y C -1.145 174.936 175.900 0.301 0.000 1.158 480 Y CA -2.267 56.024 58.100 0.318 0.000 1.056 480 Y CB 0.368 38.987 38.460 0.265 0.000 1.330 480 Y HN 0.617 nan 8.280 nan 0.000 0.457 481 A N 1.658 124.700 122.820 0.370 0.000 2.325 481 A HA 0.822 5.141 4.320 -0.001 0.000 0.333 481 A C -0.175 177.631 177.584 0.371 0.000 1.155 481 A CA -0.186 52.017 52.037 0.276 0.000 0.814 481 A CB 0.855 20.033 19.000 0.297 0.000 1.206 481 A HN 1.171 nan 8.150 nan 0.000 0.482 482 T N -0.454 114.283 114.554 0.305 0.000 2.940 482 T HA 0.525 4.875 4.350 -0.001 0.000 0.288 482 T C 0.886 175.758 174.700 0.288 0.000 1.033 482 T CA -0.705 61.611 62.100 0.359 0.000 1.033 482 T CB 0.792 69.876 68.868 0.360 0.000 1.079 482 T HN 0.371 nan 8.240 nan 0.000 0.496 483 L N 0.759 122.148 121.223 0.278 0.000 2.275 483 L HA 0.002 4.341 4.340 -0.001 0.000 0.215 483 L C 1.730 178.622 176.870 0.037 0.000 1.119 483 L CA 1.341 56.254 54.840 0.122 0.000 0.790 483 L CB -0.582 41.502 42.059 0.043 0.000 0.919 483 L HN 0.812 nan 8.230 nan 0.000 0.443 484 D N -1.188 119.299 120.400 0.145 0.000 2.340 484 D HA 0.103 4.742 4.640 -0.001 0.000 0.220 484 D C 1.331 177.703 176.300 0.120 0.000 1.039 484 D CA 0.706 54.793 54.000 0.145 0.000 0.866 484 D CB 0.276 41.246 40.800 0.284 0.000 0.913 484 D HN 0.193 nan 8.370 nan 0.000 0.523 485 G N -1.105 107.749 108.800 0.091 0.000 2.154 485 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.186 485 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.186 485 G C -0.486 174.290 174.900 -0.208 0.000 1.000 485 G CA -0.522 44.539 45.100 -0.066 0.000 0.664 485 G HN 0.313 nan 8.290 nan 0.000 0.513 486 Y N -0.947 119.368 120.300 0.025 0.000 2.420 486 Y HA 0.738 5.287 4.550 -0.001 0.000 0.334 486 Y C 0.269 176.151 175.900 -0.030 0.000 1.094 486 Y CA -1.222 56.853 58.100 -0.043 0.000 1.126 486 Y CB 1.825 40.220 38.460 -0.109 0.000 1.217 486 Y HN 0.192 nan 8.280 nan 0.000 0.462 487 L N 3.891 125.179 121.223 0.109 0.000 2.307 487 L HA 0.553 4.893 4.340 -0.001 0.000 0.284 487 L C -1.123 175.753 176.870 0.011 0.000 1.023 487 L CA -0.609 54.293 54.840 0.103 0.000 0.810 487 L CB 0.680 42.831 42.059 0.152 0.000 1.231 487 L HN 0.591 nan 8.230 nan 0.000 0.423 488 K N 3.819 124.160 120.400 -0.098 0.000 2.395 488 K HA 0.908 5.228 4.320 -0.001 0.000 0.247 488 K C -1.445 175.127 176.600 -0.046 0.000 0.973 488 K CA -0.991 55.193 56.287 -0.171 0.000 0.828 488 K CB 2.184 34.349 32.500 -0.559 0.000 1.272 488 K HN 0.650 nan 8.250 nan 0.000 0.439 489 A N 2.682 125.459 122.820 -0.071 0.000 2.335 489 A HA 0.626 4.945 4.320 -0.001 0.000 0.304 489 A C -1.028 176.400 177.584 -0.260 0.000 1.118 489 A CA -0.729 51.044 52.037 -0.441 0.000 0.757 489 A CB 0.503 18.930 19.000 -0.956 0.000 1.188 489 A HN 0.579 nan 8.150 nan 0.000 0.460 490 L N 1.289 122.383 121.223 -0.216 0.000 2.330 490 L HA 0.458 4.797 4.340 -0.001 0.000 0.271 490 L C -0.253 176.475 176.870 -0.235 0.000 1.013 490 L CA -1.122 53.620 54.840 -0.164 0.000 0.816 490 L CB 1.616 43.640 42.059 -0.057 0.000 1.287 490 L HN 0.674 nan 8.230 nan 0.000 0.435 491 D N 1.798 122.050 120.400 -0.248 0.000 2.371 491 D HA -0.052 4.587 4.640 -0.001 0.000 0.256 491 D C 0.929 177.087 176.300 -0.237 0.000 1.193 491 D CA -0.062 53.806 54.000 -0.219 0.000 0.881 491 D CB 0.889 41.559 40.800 -0.217 0.000 1.143 491 D HN 0.597 nan 8.370 nan 0.000 0.473 492 N N 4.493 123.134 118.700 -0.098 0.000 2.520 492 N HA -0.198 4.541 4.740 -0.001 0.000 0.185 492 N C 1.211 176.840 175.510 0.199 0.000 1.068 492 N CA 0.626 53.693 53.050 0.029 0.000 0.911 492 N CB -0.053 38.468 38.487 0.056 0.000 0.961 492 N HN 0.476 nan 8.380 nan 0.000 0.446 493 K N 0.928 121.327 120.400 -0.002 0.000 2.062 493 K HA -0.125 4.195 4.320 -0.001 0.000 0.205 493 K C 0.140 176.624 176.600 -0.194 0.000 1.051 493 K CA 1.869 58.162 56.287 0.010 0.000 0.941 493 K CB 0.106 32.582 32.500 -0.039 0.000 0.719 493 K HN 0.312 nan 8.250 nan 0.000 0.440 494 D N -3.043 116.988 120.400 -0.615 0.000 2.516 494 D HA 0.126 4.766 4.640 -0.001 0.000 0.241 494 D C 0.788 176.191 176.300 -1.495 0.000 1.246 494 D CA 0.496 53.937 54.000 -0.931 0.000 0.808 494 D CB 0.508 41.063 40.800 -0.407 0.000 1.147 494 D HN 0.321 nan 8.370 nan 0.000 0.527 495 G N 1.224 108.958 108.800 -1.777 0.000 2.159 495 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.256 495 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.256 495 G C 0.164 174.706 174.900 -0.597 0.000 0.977 495 G CA 0.213 44.395 45.100 -1.529 0.000 0.652 495 G HN 0.591 nan 8.290 nan 0.000 0.531 496 K N 1.089 121.213 120.400 -0.459 0.000 2.451 496 K HA 0.262 4.582 4.320 -0.001 0.000 0.280 496 K C 0.510 176.996 176.600 -0.190 0.000 1.020 496 K CA -0.123 56.010 56.287 -0.256 0.000 1.008 496 K CB 0.263 32.637 32.500 -0.211 0.000 0.917 496 K HN 0.388 nan 8.250 nan 0.000 0.478 497 E N 4.845 124.969 120.200 -0.126 0.000 2.299 497 E HA 0.001 4.350 4.350 -0.001 0.000 0.272 497 E C 0.198 176.744 176.600 -0.090 0.000 1.043 497 E CA -0.101 56.244 56.400 -0.092 0.000 0.895 497 E CB 0.499 30.153 29.700 -0.075 0.000 1.011 497 E HN 0.652 nan 8.360 nan 0.000 0.432 498 L N 4.384 125.559 121.223 -0.081 0.000 2.575 498 L HA 0.335 4.675 4.340 -0.001 0.000 0.228 498 L C 0.080 176.993 176.870 0.072 0.000 1.075 498 L CA -0.317 54.497 54.840 -0.043 0.000 0.867 498 L CB 0.307 42.312 42.059 -0.090 0.000 1.097 498 L HN 0.591 nan 8.230 nan 0.000 0.485 499 W N 1.029 122.221 121.300 -0.181 0.000 3.248 499 W HA 0.389 5.049 4.660 -0.000 0.000 0.311 499 W C -1.733 174.712 176.519 -0.124 0.000 1.258 499 W CA -0.806 56.457 57.345 -0.136 0.000 1.191 499 W CB 1.236 30.602 29.460 -0.158 0.000 1.389 499 W HN 0.068 nan 8.180 nan 0.000 0.561 500 N N 2.519 120.592 118.700 -1.045 0.000 2.745 500 N HA 0.652 5.391 4.740 -0.001 0.000 0.256 500 N C -2.402 172.378 175.510 -1.216 0.000 1.268 500 N CA -0.718 51.746 53.050 -0.976 0.000 0.887 500 N CB 2.072 40.307 38.487 -0.420 0.000 1.575 500 N HN 0.412 nan 8.380 nan 0.000 0.496 501 F N 0.535 119.937 119.950 -0.913 0.000 2.574 501 F HA 0.536 5.063 4.527 -0.000 0.000 0.313 501 F C -0.976 174.681 175.800 -0.239 0.000 1.130 501 F CA -0.821 56.870 58.000 -0.514 0.000 0.936 501 F CB 1.905 40.657 39.000 -0.414 0.000 1.219 501 F HN 0.655 nan 8.300 nan 0.000 0.445 502 K N 7.345 127.139 120.400 -1.009 0.000 2.220 502 K HA 0.334 4.653 4.320 -0.001 0.000 0.283 502 K C -0.608 175.579 176.600 -0.689 0.000 1.098 502 K CA 0.004 55.700 56.287 -0.985 0.000 0.928 502 K CB -0.034 31.941 32.500 -0.875 0.000 1.214 502 K HN 0.725 nan 8.250 nan 0.000 0.442 503 M N 5.366 124.815 119.600 -0.253 0.000 2.103 503 M HA 0.158 4.637 4.480 -0.001 0.000 0.291 503 M C -1.262 174.881 176.300 -0.261 0.000 1.216 503 M CA -1.788 53.488 55.300 -0.040 0.000 1.132 503 M CB 0.247 32.897 32.600 0.083 0.000 1.396 503 M HN 0.364 nan 8.290 nan 0.000 0.479 504 P HA -0.051 nan 4.420 nan 0.000 0.218 504 P C 0.002 177.182 177.300 -0.199 0.000 1.149 504 P CA 1.000 63.872 63.100 -0.379 0.000 0.817 504 P CB 0.292 31.618 31.700 -0.623 0.000 0.785 505 S N -2.508 113.128 115.700 -0.107 0.000 2.607 505 S HA 0.629 5.098 4.470 -0.001 0.000 0.273 505 S C -0.227 174.421 174.600 0.081 0.000 1.148 505 S CA -0.639 57.579 58.200 0.030 0.000 0.833 505 S CB 0.731 64.010 63.200 0.132 0.000 1.130 505 S HN 0.064 nan 8.310 nan 0.000 0.470 506 G N 0.478 109.319 108.800 0.068 0.000 2.559 506 G HA2 0.451 4.410 3.960 -0.001 0.000 0.235 506 G HA3 0.451 4.410 3.960 -0.001 0.000 0.235 506 G C 0.309 175.313 174.900 0.173 0.000 1.266 506 G CA 0.126 45.286 45.100 0.100 0.000 0.847 506 G HN 0.926 nan 8.290 nan 0.000 0.583 507 G N -0.186 108.744 108.800 0.215 0.000 2.379 507 G HA2 0.503 4.462 3.960 -0.001 0.000 0.327 507 G HA3 0.503 4.462 3.960 -0.001 0.000 0.327 507 G C 0.593 175.673 174.900 0.300 0.000 1.145 507 G CA -0.630 44.630 45.100 0.266 0.000 0.905 507 G HN 1.012 nan 8.290 nan 0.000 0.466 508 I N 0.521 121.288 120.570 0.330 0.000 4.147 508 I HA 0.441 4.610 4.170 -0.001 0.000 0.329 508 I C 0.711 177.101 176.117 0.455 0.000 1.424 508 I CA -0.595 60.966 61.300 0.434 0.000 1.127 508 I CB 0.745 39.006 38.000 0.435 0.000 1.128 508 I HN 0.410 nan 8.210 nan 0.000 0.417 509 G N 0.585 109.615 108.800 0.383 0.000 2.820 509 G HA2 0.554 4.513 3.960 -0.001 0.000 0.291 509 G HA3 0.554 4.513 3.960 -0.001 0.000 0.291 509 G C -1.226 173.869 174.900 0.325 0.000 1.323 509 G CA -0.519 44.805 45.100 0.374 0.000 1.055 509 G HN 0.091 nan 8.290 nan 0.000 0.520 510 S N -0.115 115.754 115.700 0.282 0.000 2.509 510 S HA 0.692 5.162 4.470 -0.001 0.000 0.297 510 S C -2.473 172.321 174.600 0.324 0.000 1.118 510 S CA -1.241 57.130 58.200 0.285 0.000 1.074 510 S CB 1.569 64.835 63.200 0.110 0.000 1.038 510 S HN 0.271 nan 8.310 nan 0.000 0.498 511 P HA 0.304 nan 4.420 nan 0.000 0.272 511 P C -0.835 176.427 177.300 -0.064 0.000 1.223 511 P CA -0.291 62.886 63.100 0.128 0.000 0.784 511 P CB 0.435 32.201 31.700 0.110 0.000 0.923 512 M N -0.624 118.762 119.600 -0.357 0.000 2.727 512 M HA 0.838 5.318 4.480 -0.001 0.000 0.300 512 M C -0.442 175.392 176.300 -0.777 0.000 1.246 512 M CA -0.429 54.287 55.300 -0.973 0.000 0.835 512 M CB 1.597 33.435 32.600 -1.271 0.000 1.755 512 M HN 0.134 nan 8.290 nan 0.000 0.473 513 T N 0.221 114.255 114.554 -0.867 0.000 2.868 513 T HA 0.853 5.202 4.350 -0.001 0.000 0.306 513 T C -2.106 172.578 174.700 -0.025 0.000 1.224 513 T CA -0.439 61.425 62.100 -0.394 0.000 1.012 513 T CB 1.158 69.792 68.868 -0.390 0.000 1.221 513 T HN 1.058 nan 8.240 nan 0.000 0.499 514 Y N -0.504 119.760 120.300 -0.060 0.000 2.713 514 Y HA 0.751 5.301 4.550 -0.001 0.000 0.335 514 Y C -0.905 175.087 175.900 0.153 0.000 1.222 514 Y CA -1.107 57.041 58.100 0.080 0.000 1.061 514 Y CB 0.693 39.197 38.460 0.073 0.000 1.314 514 Y HN 0.659 nan 8.280 nan 0.000 0.453 515 S N 1.384 117.262 115.700 0.296 0.000 2.536 515 S HA 0.831 5.301 4.470 -0.001 0.000 0.298 515 S C -1.666 173.211 174.600 0.462 0.000 1.083 515 S CA -0.510 57.841 58.200 0.253 0.000 0.995 515 S CB 2.163 65.450 63.200 0.146 0.000 1.058 515 S HN 1.047 nan 8.310 nan 0.000 0.488 516 F N 2.143 122.263 119.950 0.284 0.000 2.607 516 F HA 0.496 5.022 4.527 -0.001 0.000 0.322 516 F C -0.213 175.711 175.800 0.207 0.000 1.176 516 F CA -0.778 57.363 58.000 0.235 0.000 0.977 516 F CB 1.380 40.502 39.000 0.203 0.000 1.242 516 F HN 0.912 nan 8.300 nan 0.000 0.465 517 K N 4.803 124.886 120.400 -0.528 0.000 3.278 517 K HA -0.176 4.143 4.320 -0.001 0.000 0.270 517 K C 0.838 177.334 176.600 -0.173 0.000 0.955 517 K CA 0.980 56.991 56.287 -0.460 0.000 0.723 517 K CB -1.600 30.450 32.500 -0.749 0.000 1.382 517 K HN 1.553 nan 8.250 nan 0.000 0.461 518 G N 0.160 108.913 108.800 -0.078 0.000 2.143 518 G HA2 -0.366 3.594 3.960 -0.001 0.000 0.248 518 G HA3 -0.366 3.594 3.960 -0.001 0.000 0.248 518 G C -0.137 174.738 174.900 -0.041 0.000 0.991 518 G CA 0.891 45.964 45.100 -0.045 0.000 0.689 518 G HN 0.467 nan 8.290 nan 0.000 0.522 519 K N -0.049 120.346 120.400 -0.008 0.000 2.427 519 K HA 0.548 4.867 4.320 -0.001 0.000 0.252 519 K C -0.150 176.349 176.600 -0.167 0.000 0.931 519 K CA -0.826 55.388 56.287 -0.123 0.000 0.793 519 K CB 1.288 33.665 32.500 -0.204 0.000 1.211 519 K HN 0.182 nan 8.250 nan 0.000 0.426 520 Q N 3.313 122.933 119.800 -0.299 0.000 2.267 520 Q HA 0.211 4.551 4.340 -0.001 0.000 0.255 520 Q C -1.581 174.067 176.000 -0.586 0.000 0.923 520 Q CA -0.366 55.253 55.803 -0.307 0.000 0.925 520 Q CB 0.646 29.244 28.738 -0.234 0.000 1.195 520 Q HN 0.529 nan 8.270 nan 0.000 0.417 521 Y N 2.592 122.545 120.300 -0.579 0.000 2.485 521 Y HA 0.482 5.031 4.550 -0.001 0.000 0.345 521 Y C -0.202 175.279 175.900 -0.697 0.000 0.998 521 Y CA -1.051 56.634 58.100 -0.692 0.000 1.059 521 Y CB 1.582 39.412 38.460 -1.051 0.000 1.234 521 Y HN 0.481 nan 8.280 nan 0.000 0.461 522 I N 2.126 122.453 120.570 -0.406 0.000 2.406 522 I HA 0.511 4.680 4.170 -0.001 0.000 0.290 522 I C 0.229 176.229 176.117 -0.194 0.000 0.999 522 I CA -0.542 60.462 61.300 -0.494 0.000 1.124 522 I CB 1.287 38.748 38.000 -0.899 0.000 1.289 522 I HN 0.749 nan 8.210 nan 0.000 0.441 523 G N 3.099 111.801 108.800 -0.162 0.000 2.513 523 G HA2 0.560 4.520 3.960 -0.001 0.000 0.317 523 G HA3 0.560 4.520 3.960 -0.001 0.000 0.317 523 G C -1.202 173.697 174.900 -0.002 0.000 1.277 523 G CA -0.436 44.629 45.100 -0.058 0.000 0.955 523 G HN 0.507 nan 8.290 nan 0.000 0.484 524 S N 1.741 117.504 115.700 0.105 0.000 2.575 524 S HA 0.598 5.068 4.470 -0.001 0.000 0.278 524 S C 0.000 174.719 174.600 0.199 0.000 1.139 524 S CA -0.818 57.489 58.200 0.179 0.000 0.954 524 S CB 1.031 64.388 63.200 0.262 0.000 1.054 524 S HN 0.456 nan 8.310 nan 0.000 0.483 525 M N 3.825 123.536 119.600 0.184 0.000 2.202 525 M HA 0.370 4.849 4.480 -0.001 0.000 0.316 525 M C -0.470 175.956 176.300 0.209 0.000 1.138 525 M CA -0.149 55.227 55.300 0.126 0.000 1.151 525 M CB 0.167 32.852 32.600 0.142 0.000 1.422 525 M HN 0.795 nan 8.290 nan 0.000 0.471 526 Y N -2.374 117.983 120.300 0.095 0.000 2.562 526 Y HA 0.749 5.299 4.550 -0.001 0.000 0.345 526 Y C -0.284 175.611 175.900 -0.008 0.000 1.045 526 Y CA -1.556 56.585 58.100 0.069 0.000 1.028 526 Y CB 1.480 39.972 38.460 0.053 0.000 1.297 526 Y HN 0.907 nan 8.280 nan 0.000 0.463 527 G N 1.420 110.339 108.800 0.199 0.000 2.648 527 G HA2 0.198 4.158 3.960 -0.001 0.000 0.317 527 G HA3 0.198 4.158 3.960 -0.001 0.000 0.317 527 G C -1.642 173.343 174.900 0.142 0.000 1.216 527 G CA -0.535 44.617 45.100 0.086 0.000 1.210 527 G HN 1.026 nan 8.290 nan 0.000 0.583 528 V N 2.056 122.029 119.914 0.099 0.000 2.963 528 V HA 0.828 4.947 4.120 -0.001 0.000 0.306 528 V C 1.186 177.301 176.094 0.035 0.000 1.077 528 V CA 2.346 64.679 62.300 0.055 0.000 1.124 528 V CB 1.389 33.208 31.823 -0.007 0.000 0.987 528 V HN 2.360 nan 8.190 nan 0.000 0.487 529 G N 2.704 111.505 108.800 0.001 0.000 2.512 529 G HA2 0.587 4.547 3.960 -0.001 0.000 0.181 529 G HA3 0.587 4.547 3.960 -0.001 0.000 0.181 529 G C 0.204 175.101 174.900 -0.004 0.000 1.173 529 G CA 0.212 45.313 45.100 0.002 0.000 0.988 529 G HN 2.130 nan 8.290 nan 0.000 0.485 530 G N -1.659 107.207 108.800 0.110 0.000 2.698 530 G HA2 -0.083 3.876 3.960 -0.001 0.000 0.233 530 G HA3 -0.083 3.876 3.960 -0.001 0.000 0.233 530 G C 0.878 175.865 174.900 0.145 0.000 1.352 530 G CA 0.846 46.060 45.100 0.190 0.000 0.879 530 G HN 1.740 nan 8.290 nan 0.000 0.567 531 W N 1.475 122.755 121.300 -0.032 0.000 2.335 531 W HA 0.002 4.662 4.660 -0.001 0.000 0.311 531 W C -0.053 176.235 176.519 -0.385 0.000 1.213 531 W CA 2.767 60.058 57.345 -0.091 0.000 1.274 531 W CB -1.651 27.881 29.460 0.119 0.000 1.148 531 W HN 0.459 nan 8.180 nan 0.000 0.498 532 P HA -0.087 nan 4.420 nan 0.000 0.218 532 P C 1.425 178.277 177.300 -0.747 0.000 1.148 532 P CA 2.677 64.977 63.100 -1.333 0.000 0.822 532 P CB -0.534 30.060 31.700 -1.842 0.000 0.784 533 G N -0.705 107.859 108.800 -0.393 0.000 3.284 533 G HA2 0.048 4.008 3.960 -0.001 0.000 0.236 533 G HA3 0.048 4.008 3.960 -0.001 0.000 0.236 533 G C 1.301 176.186 174.900 -0.024 0.000 1.158 533 G CA 0.159 45.147 45.100 -0.187 0.000 0.774 533 G HN 0.250 nan 8.290 nan 0.000 0.545 534 V N -0.900 119.075 119.914 0.102 0.000 2.392 534 V HA -0.057 4.063 4.120 -0.001 0.000 0.249 534 V C 2.597 178.849 176.094 0.264 0.000 1.059 534 V CA 2.085 64.571 62.300 0.310 0.000 1.051 534 V CB -1.123 30.923 31.823 0.371 0.000 0.658 534 V HN 0.186 nan 8.190 nan 0.000 0.455 535 G N 0.622 109.519 108.800 0.162 0.000 2.433 535 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.216 535 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.216 535 G C 1.519 176.473 174.900 0.090 0.000 1.186 535 G CA 1.332 46.515 45.100 0.139 0.000 0.779 535 G HN 0.553 nan 8.290 nan 0.000 0.543 536 L N 0.776 122.022 121.223 0.039 0.000 2.027 536 L HA 0.033 4.373 4.340 -0.001 0.000 0.206 536 L C 2.877 179.710 176.870 -0.060 0.000 1.074 536 L CA 1.527 56.364 54.840 -0.005 0.000 0.745 536 L CB -0.612 41.430 42.059 -0.028 0.000 0.898 536 L HN 0.073 nan 8.230 nan 0.000 0.433 537 V N -0.659 119.172 119.914 -0.139 0.000 2.343 537 V HA -0.242 3.877 4.120 -0.001 0.000 0.247 537 V C 1.740 177.524 176.094 -0.517 0.000 1.051 537 V CA 1.988 64.061 62.300 -0.377 0.000 1.036 537 V CB -0.702 30.767 31.823 -0.591 0.000 0.654 537 V HN 0.406 nan 8.190 nan 0.000 0.451 538 F N -0.634 119.328 119.950 0.021 0.000 2.647 538 F HA 0.319 4.845 4.527 -0.001 0.000 0.300 538 F C 0.499 176.308 175.800 0.014 0.000 1.106 538 F CA -0.504 57.505 58.000 0.015 0.000 1.313 538 F CB -0.106 38.897 39.000 0.006 0.000 1.007 538 F HN 0.069 nan 8.300 nan 0.000 0.536 539 D N 1.743 122.209 120.400 0.109 0.000 2.697 539 D HA -0.192 4.448 4.640 -0.001 0.000 0.238 539 D C -0.489 175.869 176.300 0.096 0.000 1.152 539 D CA 0.774 54.824 54.000 0.082 0.000 0.666 539 D CB -1.169 39.670 40.800 0.066 0.000 1.037 539 D HN 0.271 nan 8.370 nan 0.000 0.423 540 L N -0.276 121.014 121.223 0.112 0.000 2.331 540 L HA 0.559 4.899 4.340 -0.001 0.000 0.275 540 L C 1.789 178.708 176.870 0.082 0.000 1.022 540 L CA -0.278 54.620 54.840 0.096 0.000 0.812 540 L CB 1.782 43.910 42.059 0.115 0.000 1.257 540 L HN 0.081 nan 8.230 nan 0.000 0.435 541 T N -4.515 110.079 114.554 0.067 0.000 2.993 541 T HA 0.047 4.396 4.350 -0.001 0.000 0.260 541 T C 0.358 175.095 174.700 0.061 0.000 0.939 541 T CA -0.332 61.806 62.100 0.063 0.000 0.886 541 T CB 0.198 69.096 68.868 0.050 0.000 1.209 541 T HN 0.453 nan 8.240 nan 0.000 0.518 542 D N 3.536 123.967 120.400 0.053 0.000 2.382 542 D HA 0.153 4.793 4.640 -0.001 0.000 0.259 542 D C -1.569 174.771 176.300 0.065 0.000 1.224 542 D CA -1.677 52.351 54.000 0.047 0.000 0.894 542 D CB 1.783 42.602 40.800 0.031 0.000 1.127 542 D HN 0.031 nan 8.370 nan 0.000 0.487 543 P HA -0.161 nan 4.420 nan 0.000 0.217 543 P C 1.198 178.557 177.300 0.098 0.000 1.148 543 P CA 1.257 64.410 63.100 0.089 0.000 0.828 543 P CB 0.149 31.899 31.700 0.084 0.000 0.783 544 S N -2.052 113.695 115.700 0.079 0.000 2.527 544 S HA 0.272 4.741 4.470 -0.001 0.000 0.222 544 S C 1.101 175.744 174.600 0.071 0.000 0.985 544 S CA -0.030 58.216 58.200 0.078 0.000 0.921 544 S CB -0.815 62.416 63.200 0.053 0.000 0.772 544 S HN 0.101 nan 8.310 nan 0.000 0.529 545 A N 1.069 123.928 122.820 0.065 0.000 2.366 545 A HA 0.562 4.882 4.320 -0.001 0.000 0.250 545 A C 1.401 179.046 177.584 0.102 0.000 1.099 545 A CA 0.034 52.100 52.037 0.049 0.000 0.794 545 A CB -1.080 17.945 19.000 0.041 0.000 1.056 545 A HN 1.567 nan 8.150 nan 0.000 0.499 546 G N -0.845 108.000 108.800 0.075 0.000 2.295 546 G HA2 -0.056 3.904 3.960 -0.001 0.000 0.287 546 G HA3 -0.056 3.904 3.960 -0.001 0.000 0.287 546 G C 0.386 175.504 174.900 0.363 0.000 1.055 546 G CA 0.207 45.416 45.100 0.181 0.000 0.922 546 G HN 1.791 nan 8.290 nan 0.000 0.503 547 L N -3.114 118.223 121.223 0.190 0.000 4.179 547 L HA -0.265 4.075 4.340 -0.001 0.000 0.418 547 L C 2.055 179.162 176.870 0.395 0.000 1.168 547 L CA 1.241 56.253 54.840 0.286 0.000 0.972 547 L CB -1.481 40.890 42.059 0.520 0.000 2.005 547 L HN 2.128 nan 8.230 nan 0.000 0.935 548 G N -2.105 106.850 108.800 0.259 0.000 2.176 548 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.232 548 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.232 548 G C 0.840 175.848 174.900 0.180 0.000 0.986 548 G CA 0.534 45.756 45.100 0.203 0.000 0.643 548 G HN 0.923 nan 8.290 nan 0.000 0.522 549 A N -0.015 122.934 122.820 0.215 0.000 2.014 549 A HA 0.425 4.745 4.320 -0.001 0.000 0.218 549 A C 2.526 180.255 177.584 0.240 0.000 1.163 549 A CA 2.236 54.361 52.037 0.147 0.000 0.652 549 A CB -0.300 18.682 19.000 -0.031 0.000 0.808 549 A HN 1.058 nan 8.150 nan 0.000 0.449 550 V N 0.086 120.125 119.914 0.208 0.000 2.287 550 V HA -0.239 3.881 4.120 -0.001 0.000 0.248 550 V C 2.817 179.017 176.094 0.176 0.000 1.053 550 V CA 2.134 64.546 62.300 0.187 0.000 1.027 550 V CB -1.445 30.465 31.823 0.146 0.000 0.646 550 V HN 0.585 nan 8.190 nan 0.000 0.447 551 G N -0.615 108.274 108.800 0.149 0.000 2.418 551 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.217 551 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.217 551 G C 1.775 176.743 174.900 0.113 0.000 1.158 551 G CA 1.012 46.188 45.100 0.127 0.000 0.771 551 G HN 0.622 nan 8.290 nan 0.000 0.545 552 A N 0.116 122.993 122.820 0.095 0.000 1.933 552 A HA 0.161 4.481 4.320 -0.001 0.000 0.218 552 A C 1.715 179.179 177.584 -0.201 0.000 1.175 552 A CA 0.999 53.003 52.037 -0.054 0.000 0.628 552 A CB -0.376 18.555 19.000 -0.114 0.000 0.814 552 A HN 0.333 nan 8.150 nan 0.000 0.444 553 F N -0.045 119.971 119.950 0.110 0.000 2.684 553 F HA 0.180 4.706 4.527 -0.001 0.000 0.298 553 F C 1.900 177.782 175.800 0.137 0.000 1.120 553 F CA -0.059 58.028 58.000 0.144 0.000 1.332 553 F CB 0.158 39.176 39.000 0.030 0.000 0.986 553 F HN 0.284 nan 8.300 nan 0.000 0.524 554 R N -0.054 120.583 120.500 0.229 0.000 2.170 554 R HA -0.148 4.191 4.340 -0.001 0.000 0.242 554 R C 0.871 177.290 176.300 0.198 0.000 1.145 554 R CA 1.560 57.769 56.100 0.181 0.000 0.984 554 R CB -0.471 29.908 30.300 0.133 0.000 0.869 554 R HN 0.203 nan 8.270 nan 0.000 0.455 555 E N 0.925 121.294 120.200 0.282 0.000 2.442 555 E HA -0.036 4.313 4.350 -0.001 0.000 0.195 555 E C 1.810 178.683 176.600 0.455 0.000 1.030 555 E CA 0.109 56.721 56.400 0.354 0.000 0.869 555 E CB -0.027 29.915 29.700 0.403 0.000 0.857 555 E HN 0.235 nan 8.360 nan 0.000 0.505 556 L N 2.247 123.641 121.223 0.285 0.000 2.042 556 L HA -0.221 4.119 4.340 -0.001 0.000 0.210 556 L C 2.250 179.145 176.870 0.042 0.000 1.076 556 L CA 1.902 56.687 54.840 -0.092 0.000 0.749 556 L CB -0.576 41.322 42.059 -0.268 0.000 0.893 556 L HN 0.125 nan 8.230 nan 0.000 0.432 557 Q N -1.656 118.182 119.800 0.063 0.000 2.541 557 Q HA -0.157 4.182 4.340 -0.001 0.000 0.215 557 Q C 1.055 177.070 176.000 0.025 0.000 0.977 557 Q CA 1.589 57.412 55.803 0.034 0.000 0.934 557 Q CB -0.799 27.958 28.738 0.031 0.000 0.988 557 Q HN 0.667 nan 8.270 nan 0.000 0.521 558 N N -0.412 118.310 118.700 0.036 0.000 2.280 558 N HA 0.043 4.782 4.740 -0.001 0.000 0.192 558 N C 0.528 175.863 175.510 -0.291 0.000 1.109 558 N CA 0.008 52.994 53.050 -0.106 0.000 0.855 558 N CB 0.392 38.804 38.487 -0.124 0.000 0.974 558 N HN 0.317 nan 8.380 nan 0.000 0.482 559 H N -1.939 117.172 119.070 0.068 0.000 3.457 559 H HA 0.216 4.772 4.556 -0.000 0.000 0.255 559 H C 0.083 175.419 175.328 0.014 0.000 1.082 559 H CA 0.474 56.569 56.048 0.079 0.000 1.189 559 H CB 1.463 31.330 29.762 0.174 0.000 1.511 559 H HN -0.020 nan 8.280 nan 0.000 0.527 560 T N 0.443 115.043 114.554 0.077 0.000 2.802 560 T HA 0.355 4.704 4.350 -0.001 0.000 0.311 560 T C -1.518 173.178 174.700 -0.008 0.000 1.405 560 T CA -0.705 61.404 62.100 0.015 0.000 1.016 560 T CB 2.443 71.312 68.868 0.002 0.000 1.352 560 T HN -0.033 nan 8.240 nan 0.000 0.498 561 Q N 1.274 121.065 119.800 -0.015 0.000 2.587 561 Q HA 0.524 4.864 4.340 -0.001 0.000 0.293 561 Q C -0.218 175.776 176.000 -0.011 0.000 1.083 561 Q CA -0.913 54.879 55.803 -0.018 0.000 0.792 561 Q CB 2.025 30.752 28.738 -0.019 0.000 1.484 561 Q HN 0.729 nan 8.270 nan 0.000 0.446 562 M N 0.049 119.639 119.600 -0.015 0.000 2.219 562 M HA 0.415 4.894 4.480 -0.001 0.000 0.307 562 M C 0.617 176.928 176.300 0.019 0.000 1.116 562 M CA 0.665 55.962 55.300 -0.005 0.000 1.181 562 M CB 0.264 32.849 32.600 -0.024 0.000 1.410 562 M HN 0.806 nan 8.290 nan 0.000 0.454 563 G N -0.754 108.062 108.800 0.027 0.000 2.488 563 G HA2 0.641 4.601 3.960 -0.001 0.000 0.301 563 G HA3 0.641 4.601 3.960 -0.001 0.000 0.301 563 G C -1.536 173.262 174.900 -0.171 0.000 1.339 563 G CA -0.212 44.913 45.100 0.042 0.000 0.803 563 G HN 0.951 nan 8.290 nan 0.000 0.482 564 G N -1.180 107.385 108.800 -0.392 0.000 2.078 564 G HA2 0.802 4.761 3.960 -0.001 0.000 0.297 564 G HA3 0.802 4.761 3.960 -0.001 0.000 0.297 564 G C -0.216 174.073 174.900 -1.017 0.000 1.370 564 G CA 0.775 45.182 45.100 -1.156 0.000 1.222 564 G HN 2.003 nan 8.290 nan 0.000 0.586 565 G N -0.324 107.648 108.800 -1.379 0.000 2.341 565 G HA2 0.658 4.618 3.960 -0.001 0.000 0.299 565 G HA3 0.658 4.618 3.960 -0.001 0.000 0.299 565 G C -2.206 172.194 174.900 -0.833 0.000 1.274 565 G CA -0.301 44.168 45.100 -1.051 0.000 0.853 565 G HN 1.553 nan 8.290 nan 0.000 0.493 566 L N -0.341 120.751 121.223 -0.218 0.000 2.401 566 L HA 0.925 5.265 4.340 -0.001 0.000 0.266 566 L C -0.583 176.365 176.870 0.131 0.000 0.991 566 L CA -0.701 54.148 54.840 0.016 0.000 0.818 566 L CB 1.977 44.051 42.059 0.025 0.000 1.321 566 L HN 0.663 nan 8.230 nan 0.000 0.413 567 M N 4.671 124.322 119.600 0.084 0.000 2.395 567 M HA 0.589 5.068 4.480 -0.001 0.000 0.307 567 M C -1.430 174.613 176.300 -0.428 0.000 1.091 567 M CA -0.814 54.379 55.300 -0.178 0.000 0.919 567 M CB 2.237 34.814 32.600 -0.038 0.000 1.662 567 M HN 0.382 nan 8.290 nan 0.000 0.440 568 V N 3.594 122.987 119.914 -0.869 0.000 2.555 568 V HA 0.624 4.743 4.120 -0.001 0.000 0.302 568 V C -1.036 174.529 176.094 -0.881 0.000 1.038 568 V CA -0.497 61.331 62.300 -0.788 0.000 0.887 568 V CB 2.017 33.112 31.823 -1.214 0.000 0.991 568 V HN 0.649 nan 8.190 nan 0.000 0.434 569 F N 1.749 121.538 119.950 -0.268 0.000 2.593 569 F HA 0.872 5.399 4.527 -0.001 0.000 0.320 569 F C 0.351 175.976 175.800 -0.291 0.000 1.060 569 F CA -0.395 57.459 58.000 -0.242 0.000 0.940 569 F CB 2.380 41.231 39.000 -0.247 0.000 1.268 569 F HN 0.612 nan 8.300 nan 0.000 0.475 570 S N 0.421 116.052 115.700 -0.115 0.000 2.655 570 S HA 0.684 5.154 4.470 -0.001 0.000 0.266 570 S C -1.504 172.968 174.600 -0.214 0.000 1.149 570 S CA -1.089 56.911 58.200 -0.332 0.000 0.818 570 S CB 0.743 63.533 63.200 -0.684 0.000 1.130 570 S HN 0.584 nan 8.310 nan 0.000 0.476 571 L N 0.000 121.078 121.223 -0.242 0.000 2.949 571 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 571 L CA 0.000 54.753 54.840 -0.144 0.000 0.813 571 L CB 0.000 41.975 42.059 -0.140 0.000 0.961 571 L HN 0.000 nan 8.230 nan 0.000 0.502