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 3c6u_1_B DATA FIRST_RESID 6 DATA SEQUENCE ETVPVKLKPG MDGPKVKQWP LTEEKIKALV EICTEMEKEG KISKIGPENP DATA SEQUENCE YNTPVFAIKK KDSTKWRKLV DFRELNKRTQ DFWEVQLGIP HPAGLKKKKS DATA SEQUENCE VTVLDVGDAY FSVPLDEDFR KYTAFTIPSI NNETPGIRYQ YNVLPQGWKG DATA SEQUENCE SPAIFQSSMT KILEPFRKQN PDIVIYQYMD DLYVGSDLEI GQHRTKIEEL DATA SEQUENCE RQHLLRWGLT XXXXXXXXXX XXXXXGYELH PDKWTVQPIV LPEKDSWTVN DATA SEQUENCE DIQKLVGKLN WASQIYPGIK VRQLCKLLRG TKALTEVIPL TEEAELELAE DATA SEQUENCE NREILKEPVH GVYYDPSKDL IAEIQKQGQG QWTYQIYQEP FKNLKTGKYA DATA SEQUENCE RXXXXHTNDV KQLTEAVQKI TTESIVIWGK TPKFKLPIQK ETWETWWTEY DATA SEQUENCE WQATWIPEWE FVNTPPLVKL WYQ 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 6 E HA 0.000 nan 4.350 nan 0.000 0.291 6 E C 0.000 176.645 176.600 0.076 0.000 1.382 6 E CA 0.000 56.440 56.400 0.066 0.000 0.976 6 E CB 0.000 29.732 29.700 0.054 0.000 0.812 7 T N 0.138 114.742 114.554 0.084 0.000 2.903 7 T HA 0.310 4.659 4.350 -0.001 0.000 0.314 7 T C 0.581 175.337 174.700 0.094 0.000 1.078 7 T CA 0.021 62.178 62.100 0.096 0.000 1.114 7 T CB 1.200 70.127 68.868 0.098 0.000 0.987 7 T HN 0.769 nan 8.240 nan 0.000 0.548 8 V N 2.749 122.730 119.914 0.113 0.000 2.539 8 V HA 0.693 4.812 4.120 -0.001 0.000 0.292 8 V C -2.775 173.398 176.094 0.131 0.000 1.045 8 V CA -2.261 60.117 62.300 0.130 0.000 0.945 8 V CB 0.958 32.880 31.823 0.165 0.000 0.993 8 V HN 0.894 nan 8.190 nan 0.000 0.464 9 P HA 0.462 nan 4.420 nan 0.000 0.290 9 P C -1.158 176.192 177.300 0.084 0.000 1.276 9 P CA -0.306 62.856 63.100 0.102 0.000 0.808 9 P CB 1.441 33.202 31.700 0.102 0.000 0.966 10 V N 3.367 123.247 119.914 -0.057 0.000 2.398 10 V HA 0.444 4.564 4.120 -0.001 0.000 0.286 10 V C 0.166 176.286 176.094 0.044 0.000 1.026 10 V CA -0.637 61.497 62.300 -0.276 0.000 0.868 10 V CB 1.095 32.301 31.823 -1.029 0.000 0.982 10 V HN 0.454 nan 8.190 nan 0.000 0.443 11 K N 4.488 124.934 120.400 0.077 0.000 2.413 11 K HA 0.620 4.940 4.320 -0.001 0.000 0.257 11 K C -1.242 175.420 176.600 0.104 0.000 0.946 11 K CA -0.959 55.406 56.287 0.129 0.000 0.823 11 K CB 2.358 34.925 32.500 0.113 0.000 1.109 11 K HN 0.325 nan 8.250 nan 0.000 0.427 12 L N 2.371 123.634 121.223 0.067 0.000 2.483 12 L HA 0.038 4.378 4.340 -0.001 0.000 0.275 12 L C 0.297 177.165 176.870 -0.003 0.000 1.220 12 L CA 0.377 55.204 54.840 -0.022 0.000 0.833 12 L CB 0.074 42.013 42.059 -0.200 0.000 1.102 12 L HN 0.499 nan 8.230 nan 0.000 0.490 13 K N 5.170 125.562 120.400 -0.014 0.000 2.245 13 K HA 0.105 4.425 4.320 -0.001 0.000 0.281 13 K C -2.093 174.500 176.600 -0.012 0.000 1.079 13 K CA -1.229 55.050 56.287 -0.013 0.000 1.000 13 K CB -0.458 32.026 32.500 -0.025 0.000 1.038 13 K HN 0.433 nan 8.250 nan 0.000 0.430 14 P HA -0.264 nan 4.420 nan 0.000 0.271 14 P C 0.665 177.967 177.300 0.004 0.000 1.145 14 P CA 1.401 64.505 63.100 0.006 0.000 0.751 14 P CB 0.305 32.009 31.700 0.007 0.000 0.742 15 G N 1.291 110.098 108.800 0.011 0.000 2.180 15 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.263 15 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.263 15 G C 0.056 174.964 174.900 0.013 0.000 0.989 15 G CA 0.761 45.869 45.100 0.014 0.000 0.692 15 G HN 0.921 nan 8.290 nan 0.000 0.526 16 M N -0.151 119.452 119.600 0.005 0.000 2.484 16 M HA 0.643 5.122 4.480 -0.001 0.000 0.289 16 M C -1.367 174.919 176.300 -0.023 0.000 1.206 16 M CA -0.783 54.517 55.300 -0.001 0.000 0.892 16 M CB 2.271 34.866 32.600 -0.007 0.000 1.712 16 M HN 0.193 nan 8.290 nan 0.000 0.462 17 D N 2.057 122.452 120.400 -0.008 0.000 2.687 17 D HA 0.527 5.167 4.640 -0.001 0.000 0.264 17 D C -0.090 176.152 176.300 -0.097 0.000 1.091 17 D CA -0.351 53.631 54.000 -0.030 0.000 1.123 17 D CB 1.841 42.717 40.800 0.126 0.000 1.407 17 D HN 0.916 nan 8.370 nan 0.000 0.591 18 G N 0.229 108.913 108.800 -0.194 0.000 2.707 18 G HA2 0.184 4.143 3.960 -0.001 0.000 0.231 18 G HA3 0.184 4.143 3.960 -0.001 0.000 0.231 18 G C -2.179 172.771 174.900 0.082 0.000 1.246 18 G CA -0.527 44.339 45.100 -0.389 0.000 0.852 18 G HN 0.449 nan 8.290 nan 0.000 0.584 19 P HA 0.247 nan 4.420 nan 0.000 0.280 19 P C -0.663 176.799 177.300 0.271 0.000 1.244 19 P CA -0.137 63.060 63.100 0.160 0.000 0.784 19 P CB 1.124 32.903 31.700 0.131 0.000 0.913 20 K N 2.057 122.571 120.400 0.189 0.000 3.163 20 K HA 0.284 4.604 4.320 -0.001 0.000 0.186 20 K C -0.366 176.284 176.600 0.083 0.000 1.111 20 K CA -0.581 55.788 56.287 0.136 0.000 0.918 20 K CB 0.810 33.363 32.500 0.088 0.000 1.059 20 K HN 0.215 nan 8.250 nan 0.000 0.558 21 V N 1.609 121.578 119.914 0.093 0.000 2.583 21 V HA 0.102 4.221 4.120 -0.001 0.000 0.287 21 V C 0.738 176.850 176.094 0.031 0.000 1.051 21 V CA -0.464 61.878 62.300 0.069 0.000 1.010 21 V CB 1.080 32.961 31.823 0.096 0.000 0.988 21 V HN 0.389 nan 8.190 nan 0.000 0.478 22 K N 2.617 123.012 120.400 -0.009 0.000 2.276 22 K HA 0.206 4.526 4.320 -0.001 0.000 0.259 22 K C -0.125 176.429 176.600 -0.077 0.000 1.001 22 K CA -0.356 55.887 56.287 -0.072 0.000 0.927 22 K CB 0.525 32.934 32.500 -0.152 0.000 0.969 22 K HN 0.727 nan 8.250 nan 0.000 0.490 23 Q N 2.769 122.512 119.800 -0.094 0.000 2.347 23 Q HA 0.187 4.527 4.340 -0.001 0.000 0.262 23 Q C -1.697 174.274 176.000 -0.047 0.000 0.980 23 Q CA -0.421 55.348 55.803 -0.056 0.000 0.867 23 Q CB 0.594 29.307 28.738 -0.042 0.000 1.242 23 Q HN 0.448 nan 8.270 nan 0.000 0.453 24 W N 5.549 126.855 121.300 0.010 0.000 2.193 24 W HA 0.211 4.870 4.660 -0.001 0.000 0.338 24 W C -1.637 174.882 176.519 -0.001 0.000 1.310 24 W CA -1.178 56.203 57.345 0.059 0.000 1.243 24 W CB 0.313 29.897 29.460 0.207 0.000 1.165 24 W HN 0.564 nan 8.180 nan 0.000 0.566 25 P HA 0.022 nan 4.420 nan 0.000 0.267 25 P C -0.678 176.681 177.300 0.098 0.000 1.205 25 P CA 0.054 63.230 63.100 0.128 0.000 0.765 25 P CB 0.502 32.261 31.700 0.099 0.000 0.828 26 L N 3.038 124.275 121.223 0.022 0.000 2.334 26 L HA 0.480 4.820 4.340 -0.001 0.000 0.270 26 L C 0.970 177.799 176.870 -0.069 0.000 1.018 26 L CA -0.202 54.618 54.840 -0.034 0.000 0.811 26 L CB 1.252 43.276 42.059 -0.058 0.000 1.271 26 L HN 0.374 nan 8.230 nan 0.000 0.443 27 T N -2.551 111.939 114.554 -0.107 0.000 2.913 27 T HA 0.195 4.545 4.350 -0.001 0.000 0.287 27 T C 0.932 175.567 174.700 -0.108 0.000 1.008 27 T CA -0.448 61.594 62.100 -0.098 0.000 1.067 27 T CB 0.837 69.647 68.868 -0.097 0.000 0.996 27 T HN 0.709 nan 8.240 nan 0.000 0.513 28 E N 0.819 120.973 120.200 -0.077 0.000 2.114 28 E HA -0.333 4.017 4.350 -0.001 0.000 0.199 28 E C 1.821 178.356 176.600 -0.109 0.000 1.008 28 E CA 2.073 58.428 56.400 -0.075 0.000 0.810 28 E CB -0.114 29.559 29.700 -0.044 0.000 0.739 28 E HN 0.946 nan 8.360 nan 0.000 0.456 29 E N 0.484 120.619 120.200 -0.109 0.000 2.085 29 E HA -0.238 4.111 4.350 -0.001 0.000 0.194 29 E C 1.867 178.229 176.600 -0.396 0.000 0.994 29 E CA 1.546 57.861 56.400 -0.140 0.000 0.801 29 E CB 0.001 29.694 29.700 -0.012 0.000 0.743 29 E HN 0.187 nan 8.360 nan 0.000 0.453 30 K N 0.101 120.229 120.400 -0.453 0.000 2.186 30 K HA 0.053 4.372 4.320 -0.001 0.000 0.202 30 K C 2.187 178.537 176.600 -0.418 0.000 1.052 30 K CA 0.940 56.834 56.287 -0.655 0.000 0.965 30 K CB 0.034 32.232 32.500 -0.503 0.000 0.746 30 K HN 0.199 nan 8.250 nan 0.000 0.457 31 I N 1.778 122.196 120.570 -0.255 0.000 2.226 31 I HA -0.295 3.875 4.170 -0.001 0.000 0.245 31 I C 1.983 178.012 176.117 -0.147 0.000 1.100 31 I CA 1.370 62.573 61.300 -0.161 0.000 1.374 31 I CB -0.161 37.778 38.000 -0.103 0.000 1.057 31 I HN 0.133 nan 8.210 nan 0.000 0.413 32 K N 1.094 121.399 120.400 -0.158 0.000 2.057 32 K HA -0.070 4.250 4.320 -0.001 0.000 0.206 32 K C 2.288 178.803 176.600 -0.141 0.000 1.050 32 K CA 1.437 57.657 56.287 -0.113 0.000 0.935 32 K CB -0.379 32.072 32.500 -0.083 0.000 0.715 32 K HN 0.261 nan 8.250 nan 0.000 0.439 33 A N 1.981 124.635 122.820 -0.278 0.000 1.940 33 A HA -0.147 4.173 4.320 -0.001 0.000 0.219 33 A C 2.218 179.693 177.584 -0.182 0.000 1.176 33 A CA 1.370 53.219 52.037 -0.312 0.000 0.631 33 A CB -0.676 17.774 19.000 -0.917 0.000 0.814 33 A HN 0.173 nan 8.150 nan 0.000 0.446 34 L N -0.834 120.272 121.223 -0.195 0.000 2.109 34 L HA -0.105 4.235 4.340 -0.001 0.000 0.207 34 L C 2.496 179.336 176.870 -0.050 0.000 1.086 34 L CA 0.670 55.442 54.840 -0.113 0.000 0.760 34 L CB -0.365 41.624 42.059 -0.116 0.000 0.910 34 L HN 0.243 nan 8.230 nan 0.000 0.437 35 V N -0.261 119.633 119.914 -0.033 0.000 2.295 35 V HA -0.295 3.824 4.120 -0.001 0.000 0.246 35 V C 2.396 178.494 176.094 0.007 0.000 1.049 35 V CA 1.805 64.115 62.300 0.015 0.000 1.024 35 V CB -0.479 31.350 31.823 0.010 0.000 0.648 35 V HN 0.443 nan 8.190 nan 0.000 0.447 36 E N -0.237 119.958 120.200 -0.009 0.000 2.085 36 E HA -0.226 4.124 4.350 -0.001 0.000 0.194 36 E C 2.188 178.786 176.600 -0.003 0.000 0.994 36 E CA 1.709 58.110 56.400 0.003 0.000 0.801 36 E CB -0.209 29.499 29.700 0.012 0.000 0.743 36 E HN 0.579 nan 8.360 nan 0.000 0.453 37 I N 0.451 121.012 120.570 -0.015 0.000 2.142 37 I HA -0.331 3.839 4.170 -0.001 0.000 0.240 37 I C 2.532 178.603 176.117 -0.077 0.000 1.078 37 I CA 0.907 62.194 61.300 -0.023 0.000 1.343 37 I CB -0.265 37.726 38.000 -0.015 0.000 1.046 37 I HN 0.226 nan 8.210 nan 0.000 0.405 38 C N -0.190 119.030 119.300 -0.132 0.000 2.432 38 C HA -0.124 4.336 4.460 -0.001 0.000 0.280 38 C C 2.968 177.851 174.990 -0.179 0.000 1.353 38 C CA 1.044 59.879 59.018 -0.306 0.000 1.766 38 C CB -1.237 26.154 27.740 -0.582 0.000 1.924 38 C HN 0.511 nan 8.230 nan 0.000 0.509 39 T N 0.473 115.004 114.554 -0.038 0.000 2.746 39 T HA -0.175 4.175 4.350 -0.001 0.000 0.267 39 T C 1.754 176.448 174.700 -0.010 0.000 1.039 39 T CA 1.771 63.882 62.100 0.017 0.000 1.142 39 T CB -0.164 68.720 68.868 0.027 0.000 0.866 39 T HN 0.583 nan 8.240 nan 0.000 0.444 40 E N 0.241 120.427 120.200 -0.024 0.000 2.107 40 E HA 0.063 4.412 4.350 -0.001 0.000 0.191 40 E C 2.134 178.709 176.600 -0.042 0.000 0.982 40 E CA 0.903 57.293 56.400 -0.017 0.000 0.809 40 E CB -0.123 29.577 29.700 -0.001 0.000 0.756 40 E HN 0.429 nan 8.360 nan 0.000 0.459 41 M N -0.082 119.462 119.600 -0.093 0.000 2.175 41 M HA -0.167 4.313 4.480 -0.001 0.000 0.264 41 M C 2.203 178.418 176.300 -0.142 0.000 1.063 41 M CA 1.538 56.746 55.300 -0.153 0.000 1.119 41 M CB -0.056 32.387 32.600 -0.263 0.000 1.377 41 M HN 0.099 nan 8.290 nan 0.000 0.415 42 E N 0.584 120.715 120.200 -0.115 0.000 2.038 42 E HA -0.235 4.114 4.350 -0.001 0.000 0.195 42 E C 1.812 178.400 176.600 -0.020 0.000 1.000 42 E CA 1.621 57.997 56.400 -0.039 0.000 0.803 42 E CB 0.090 29.824 29.700 0.057 0.000 0.750 42 E HN 0.349 nan 8.360 nan 0.000 0.448 43 K N 0.257 120.650 120.400 -0.012 0.000 2.001 43 K HA -0.213 4.107 4.320 -0.001 0.000 0.214 43 K C 2.112 178.710 176.600 -0.002 0.000 1.050 43 K CA 2.014 58.300 56.287 -0.001 0.000 0.934 43 K CB -0.162 32.340 32.500 0.004 0.000 0.718 43 K HN 0.179 nan 8.250 nan 0.000 0.443 44 E N -0.692 119.502 120.200 -0.008 0.000 2.455 44 E HA -0.093 4.256 4.350 -0.001 0.000 0.202 44 E C 0.887 177.486 176.600 -0.003 0.000 1.045 44 E CA 0.612 57.014 56.400 0.004 0.000 0.872 44 E CB -0.049 29.657 29.700 0.011 0.000 0.792 44 E HN 0.566 nan 8.360 nan 0.000 0.542 45 G N 1.086 109.873 108.800 -0.022 0.000 2.143 45 G HA2 -0.356 3.604 3.960 -0.001 0.000 0.248 45 G HA3 -0.356 3.604 3.960 -0.001 0.000 0.248 45 G C 0.868 175.742 174.900 -0.044 0.000 0.991 45 G CA 0.712 45.800 45.100 -0.020 0.000 0.689 45 G HN 0.236 nan 8.290 nan 0.000 0.522 46 K N -0.280 120.054 120.400 -0.111 0.000 2.155 46 K HA 0.151 4.470 4.320 -0.001 0.000 0.203 46 K C 1.574 178.029 176.600 -0.243 0.000 1.052 46 K CA 1.532 57.704 56.287 -0.191 0.000 0.948 46 K CB 0.085 32.339 32.500 -0.410 0.000 0.728 46 K HN 0.871 nan 8.250 nan 0.000 0.448 47 I N -2.909 117.504 120.570 -0.262 0.000 3.145 47 I HA 0.427 4.597 4.170 -0.001 0.000 0.313 47 I C -0.949 175.125 176.117 -0.072 0.000 1.122 47 I CA -1.081 60.059 61.300 -0.268 0.000 0.987 47 I CB 2.503 40.212 38.000 -0.484 0.000 1.236 47 I HN -0.317 nan 8.210 nan 0.000 0.453 48 S N 1.254 116.953 115.700 -0.001 0.000 2.541 48 S HA 0.451 4.921 4.470 -0.001 0.000 0.280 48 S C -0.730 173.870 174.600 -0.000 0.000 1.112 48 S CA -0.916 57.299 58.200 0.025 0.000 0.925 48 S CB 1.958 65.146 63.200 -0.020 0.000 1.067 48 S HN 0.518 nan 8.310 nan 0.000 0.479 49 K N 1.621 121.966 120.400 -0.092 0.000 2.336 49 K HA 0.413 4.732 4.320 -0.001 0.000 0.262 49 K C -0.051 176.418 176.600 -0.219 0.000 0.992 49 K CA 0.067 56.167 56.287 -0.311 0.000 0.927 49 K CB 0.231 32.540 32.500 -0.319 0.000 0.956 49 K HN 0.633 nan 8.250 nan 0.000 0.495 50 I N -2.978 117.441 120.570 -0.252 0.000 3.074 50 I HA 0.557 4.726 4.170 -0.001 0.000 0.310 50 I C -0.101 175.921 176.117 -0.157 0.000 1.153 50 I CA -1.210 59.984 61.300 -0.176 0.000 0.993 50 I CB 2.102 40.005 38.000 -0.161 0.000 1.237 50 I HN 0.527 nan 8.210 nan 0.000 0.443 51 G N 1.537 110.264 108.800 -0.123 0.000 2.451 51 G HA2 0.558 4.518 3.960 -0.001 0.000 0.303 51 G HA3 0.558 4.518 3.960 -0.001 0.000 0.303 51 G C -1.864 172.972 174.900 -0.108 0.000 1.166 51 G CA -1.548 43.488 45.100 -0.108 0.000 0.884 51 G HN 0.571 nan 8.290 nan 0.000 0.514 52 P HA -0.167 nan 4.420 nan 0.000 0.220 52 P C 1.374 178.610 177.300 -0.106 0.000 1.144 52 P CA 1.068 64.108 63.100 -0.100 0.000 0.800 52 P CB 0.188 31.837 31.700 -0.086 0.000 0.772 53 E N -0.576 119.565 120.200 -0.099 0.000 2.533 53 E HA -0.132 4.217 4.350 -0.001 0.000 0.201 53 E C -0.015 176.510 176.600 -0.125 0.000 1.097 53 E CA 0.406 56.745 56.400 -0.102 0.000 0.887 53 E CB -0.979 28.672 29.700 -0.081 0.000 0.855 53 E HN 0.146 nan 8.360 nan 0.000 0.540 54 N N 1.839 120.457 118.700 -0.136 0.000 2.626 54 N HA 0.153 4.892 4.740 -0.001 0.000 0.242 54 N C -1.982 173.395 175.510 -0.221 0.000 1.005 54 N CA -2.128 50.831 53.050 -0.151 0.000 0.905 54 N CB 1.585 40.020 38.487 -0.088 0.000 1.128 54 N HN -0.113 nan 8.380 nan 0.000 0.512 55 P HA 0.025 nan 4.420 nan 0.000 0.245 55 P C -0.378 176.645 177.300 -0.462 0.000 1.212 55 P CA 0.431 63.260 63.100 -0.451 0.000 0.774 55 P CB 0.032 31.405 31.700 -0.546 0.000 0.999 56 Y N 0.748 121.034 120.300 -0.024 0.000 2.326 56 Y HA 0.509 5.059 4.550 -0.001 0.000 0.324 56 Y C 0.924 176.832 175.900 0.014 0.000 1.291 56 Y CA -0.577 57.530 58.100 0.012 0.000 1.348 56 Y CB 0.398 38.880 38.460 0.036 0.000 1.294 56 Y HN -0.152 nan 8.280 nan 0.000 0.525 57 N N -1.165 117.675 118.700 0.233 0.000 2.647 57 N HA 0.407 5.146 4.740 -0.001 0.000 0.259 57 N C -2.000 173.598 175.510 0.147 0.000 1.098 57 N CA -0.447 52.694 53.050 0.151 0.000 0.984 57 N CB 1.470 40.003 38.487 0.076 0.000 1.683 57 N HN 0.578 nan 8.380 nan 0.000 0.501 58 T N 2.648 117.284 114.554 0.135 0.000 2.861 58 T HA 0.578 4.928 4.350 -0.001 0.000 0.287 58 T C -2.776 171.902 174.700 -0.037 0.000 1.003 58 T CA -1.070 61.059 62.100 0.049 0.000 0.977 58 T CB 2.009 70.867 68.868 -0.017 0.000 0.996 58 T HN 0.248 nan 8.240 nan 0.000 0.448 59 P HA 0.420 nan 4.420 nan 0.000 0.274 59 P C -1.035 175.970 177.300 -0.492 0.000 1.237 59 P CA -0.561 62.389 63.100 -0.250 0.000 0.793 59 P CB 0.699 32.293 31.700 -0.176 0.000 0.977 60 V N 3.150 122.668 119.914 -0.661 0.000 2.709 60 V HA 0.655 4.775 4.120 -0.001 0.000 0.308 60 V C -1.401 174.241 176.094 -0.753 0.000 1.062 60 V CA -0.495 61.434 62.300 -0.617 0.000 0.901 60 V CB 0.767 32.312 31.823 -0.463 0.000 1.003 60 V HN 0.325 nan 8.190 nan 0.000 0.425 61 F N 3.646 123.531 119.950 -0.108 0.000 2.664 61 F HA 0.912 5.438 4.527 -0.001 0.000 0.329 61 F C 0.312 176.029 175.800 -0.138 0.000 1.090 61 F CA -0.576 57.343 58.000 -0.136 0.000 0.978 61 F CB 2.000 40.893 39.000 -0.179 0.000 1.378 61 F HN 0.625 nan 8.300 nan 0.000 0.495 62 A N 1.939 124.785 122.820 0.044 0.000 2.319 62 A HA 0.794 5.114 4.320 -0.001 0.000 0.310 62 A C -0.720 176.950 177.584 0.142 0.000 1.152 62 A CA -0.561 51.475 52.037 -0.001 0.000 0.783 62 A CB 0.493 19.305 19.000 -0.312 0.000 1.184 62 A HN 0.749 nan 8.150 nan 0.000 0.474 63 I N -1.061 119.656 120.570 0.246 0.000 3.237 63 I HA 0.710 4.879 4.170 -0.001 0.000 0.308 63 I C 0.195 176.472 176.117 0.267 0.000 1.093 63 I CA -1.005 60.428 61.300 0.222 0.000 1.001 63 I CB 2.198 40.280 38.000 0.136 0.000 1.245 63 I HN 0.528 nan 8.210 nan 0.000 0.485 64 K N 0.741 121.168 120.400 0.045 0.000 2.412 64 K HA 0.348 4.668 4.320 -0.001 0.000 0.202 64 K C -0.331 176.202 176.600 -0.111 0.000 1.102 64 K CA -0.082 56.123 56.287 -0.136 0.000 1.027 64 K CB 0.440 32.721 32.500 -0.364 0.000 0.931 64 K HN 0.694 nan 8.250 nan 0.000 0.557 65 K N -0.564 119.791 120.400 -0.075 0.000 1.889 65 K HA -0.141 4.179 4.320 -0.001 0.000 0.830 65 K C -1.189 175.333 176.600 -0.130 0.000 2.106 65 K CA 0.427 56.653 56.287 -0.102 0.000 1.379 65 K CB -0.532 31.915 32.500 -0.089 0.000 2.598 65 K HN -0.125 nan 8.250 nan 0.000 0.232 66 K N 2.271 122.583 120.400 -0.147 0.000 2.263 66 K HA 0.035 4.354 4.320 -0.001 0.000 0.282 66 K C -1.007 175.519 176.600 -0.123 0.000 1.089 66 K CA 0.402 56.596 56.287 -0.156 0.000 0.907 66 K CB 0.285 32.656 32.500 -0.216 0.000 1.148 66 K HN 0.577 nan 8.250 nan 0.000 0.470 67 D N 1.820 122.157 120.400 -0.105 0.000 2.705 67 D HA -0.161 4.479 4.640 -0.001 0.000 0.240 67 D C -1.107 175.137 176.300 -0.094 0.000 1.137 67 D CA 0.913 54.861 54.000 -0.087 0.000 0.677 67 D CB -0.377 40.379 40.800 -0.073 0.000 1.049 67 D HN 0.422 nan 8.370 nan 0.000 0.427 68 S N -0.950 114.680 115.700 -0.117 0.000 2.542 68 S HA 0.509 4.978 4.470 -0.001 0.000 0.293 68 S C 1.073 175.568 174.600 -0.175 0.000 1.089 68 S CA 0.225 58.349 58.200 -0.126 0.000 0.961 68 S CB 2.150 65.281 63.200 -0.116 0.000 1.062 68 S HN 0.212 nan 8.310 nan 0.000 0.483 69 T N 1.307 115.764 114.554 -0.162 0.000 3.044 69 T HA 0.317 4.667 4.350 -0.001 0.000 0.250 69 T C 0.334 174.880 174.700 -0.257 0.000 1.081 69 T CA 0.278 62.255 62.100 -0.204 0.000 1.040 69 T CB -0.155 68.633 68.868 -0.134 0.000 0.962 69 T HN 0.439 nan 8.240 nan 0.000 0.506 70 K N 1.214 121.502 120.400 -0.187 0.000 2.201 70 K HA 0.269 4.589 4.320 -0.001 0.000 0.278 70 K C -0.917 175.615 176.600 -0.114 0.000 1.027 70 K CA -0.748 55.464 56.287 -0.124 0.000 0.909 70 K CB 0.849 33.329 32.500 -0.034 0.000 1.062 70 K HN 0.384 nan 8.250 nan 0.000 0.465 71 W N 2.368 123.657 121.300 -0.017 0.000 2.158 71 W HA 0.069 4.728 4.660 -0.001 0.000 0.339 71 W C 0.873 177.385 176.519 -0.010 0.000 1.294 71 W CA -0.146 57.187 57.345 -0.019 0.000 1.231 71 W CB 0.569 30.018 29.460 -0.018 0.000 1.143 71 W HN 0.466 nan 8.180 nan 0.000 0.571 72 R N 2.645 123.332 120.500 0.311 0.000 2.744 72 R HA 0.393 4.733 4.340 -0.001 0.000 0.279 72 R C -1.389 175.006 176.300 0.158 0.000 0.977 72 R CA -0.944 55.262 56.100 0.177 0.000 0.906 72 R CB 1.383 31.751 30.300 0.113 0.000 1.197 72 R HN 0.408 nan 8.270 nan 0.000 0.463 73 K N 3.034 123.501 120.400 0.112 0.000 2.172 73 K HA 0.445 4.765 4.320 -0.001 0.000 0.276 73 K C -1.351 175.304 176.600 0.092 0.000 1.013 73 K CA -0.717 55.608 56.287 0.064 0.000 0.913 73 K CB 0.850 33.357 32.500 0.012 0.000 1.055 73 K HN 0.521 nan 8.250 nan 0.000 0.461 74 L N 5.385 126.659 121.223 0.085 0.000 2.415 74 L HA 0.305 4.644 4.340 -0.001 0.000 0.268 74 L C -1.515 175.405 176.870 0.085 0.000 0.984 74 L CA -0.579 54.351 54.840 0.149 0.000 0.853 74 L CB 1.687 43.891 42.059 0.242 0.000 1.215 74 L HN 0.354 nan 8.230 nan 0.000 0.419 75 V N 3.332 123.224 119.914 -0.037 0.000 2.498 75 V HA 0.244 4.363 4.120 -0.001 0.000 0.279 75 V C 0.034 175.994 176.094 -0.223 0.000 1.048 75 V CA -0.487 61.621 62.300 -0.320 0.000 0.967 75 V CB 1.417 32.843 31.823 -0.662 0.000 0.988 75 V HN 0.669 nan 8.190 nan 0.000 0.473 76 D N 3.992 124.291 120.400 -0.168 0.000 2.558 76 D HA 0.166 4.805 4.640 -0.001 0.000 0.221 76 D C 0.234 176.514 176.300 -0.034 0.000 1.143 76 D CA -0.299 53.734 54.000 0.055 0.000 1.010 76 D CB -0.161 40.822 40.800 0.304 0.000 1.068 76 D HN 0.380 nan 8.370 nan 0.000 0.511 77 F N 1.572 121.618 119.950 0.160 0.000 2.740 77 F HA 0.227 4.754 4.527 -0.000 0.000 0.294 77 F C 2.002 177.896 175.800 0.158 0.000 1.225 77 F CA -0.167 57.930 58.000 0.162 0.000 1.426 77 F CB -0.080 39.044 39.000 0.207 0.000 1.021 77 F HN 0.181 nan 8.300 nan 0.000 0.508 78 R N -0.169 120.476 120.500 0.241 0.000 2.081 78 R HA -0.178 4.162 4.340 -0.001 0.000 0.235 78 R C 2.001 178.416 176.300 0.192 0.000 1.131 78 R CA 1.426 57.625 56.100 0.164 0.000 0.960 78 R CB -0.138 30.184 30.300 0.037 0.000 0.856 78 R HN 0.168 nan 8.270 nan 0.000 0.436 79 E N 1.123 121.434 120.200 0.186 0.000 2.028 79 E HA -0.111 4.238 4.350 -0.001 0.000 0.191 79 E C 1.852 178.572 176.600 0.200 0.000 0.988 79 E CA 0.856 57.357 56.400 0.168 0.000 0.799 79 E CB -0.304 29.481 29.700 0.142 0.000 0.755 79 E HN 0.162 nan 8.360 nan 0.000 0.447 80 L N 0.647 122.023 121.223 0.254 0.000 2.127 80 L HA -0.245 4.095 4.340 -0.001 0.000 0.211 80 L C 1.653 178.741 176.870 0.364 0.000 1.089 80 L CA 1.346 56.329 54.840 0.239 0.000 0.757 80 L CB -0.324 41.902 42.059 0.278 0.000 0.899 80 L HN 0.210 nan 8.230 nan 0.000 0.434 81 N N 0.437 119.400 118.700 0.438 0.000 2.039 81 N HA -0.201 4.539 4.740 -0.001 0.000 0.193 81 N C 1.712 177.588 175.510 0.610 0.000 1.044 81 N CA 1.317 54.709 53.050 0.570 0.000 0.847 81 N CB -0.196 38.502 38.487 0.351 0.000 1.030 81 N HN 0.285 nan 8.380 nan 0.000 0.422 82 K N 0.704 121.331 120.400 0.378 0.000 2.044 82 K HA -0.062 4.258 4.320 -0.001 0.000 0.210 82 K C 1.652 178.353 176.600 0.168 0.000 1.049 82 K CA 1.065 57.506 56.287 0.256 0.000 0.927 82 K CB -0.049 32.551 32.500 0.165 0.000 0.713 82 K HN 0.212 nan 8.250 nan 0.000 0.443 83 R N 0.274 120.864 120.500 0.151 0.000 2.339 83 R HA -0.043 4.296 4.340 -0.001 0.000 0.199 83 R C 1.585 177.930 176.300 0.074 0.000 1.018 83 R CA 1.324 57.462 56.100 0.064 0.000 1.036 83 R CB -0.220 30.074 30.300 -0.010 0.000 0.899 83 R HN 0.360 nan 8.270 nan 0.000 0.473 84 T N -4.004 110.658 114.554 0.180 0.000 3.111 84 T HA 0.022 4.372 4.350 -0.001 0.000 0.284 84 T C 1.467 176.105 174.700 -0.103 0.000 0.983 84 T CA -0.365 61.846 62.100 0.185 0.000 0.900 84 T CB 0.532 69.681 68.868 0.468 0.000 1.132 84 T HN 0.058 nan 8.240 nan 0.000 0.531 85 Q N 1.215 120.834 119.800 -0.302 0.000 2.344 85 Q HA -0.262 4.078 4.340 -0.001 0.000 0.212 85 Q C 1.650 177.167 176.000 -0.806 0.000 0.991 85 Q CA 2.298 57.522 55.803 -0.965 0.000 0.897 85 Q CB -0.360 28.045 28.738 -0.555 0.000 0.915 85 Q HN 0.732 nan 8.270 nan 0.000 0.438 86 D N -1.319 118.866 120.400 -0.359 0.000 2.194 86 D HA -0.125 4.515 4.640 -0.001 0.000 0.204 86 D C 1.378 177.582 176.300 -0.161 0.000 0.964 86 D CA 0.780 54.645 54.000 -0.225 0.000 0.846 86 D CB -0.077 40.663 40.800 -0.100 0.000 0.962 86 D HN 0.369 nan 8.370 nan 0.000 0.490 87 F N 0.995 120.804 119.950 -0.236 0.000 2.039 87 F HA -0.086 4.440 4.527 -0.001 0.000 0.294 87 F C 1.855 177.589 175.800 -0.110 0.000 1.130 87 F CA 1.692 59.617 58.000 -0.126 0.000 1.189 87 F CB -0.599 38.380 39.000 -0.035 0.000 0.983 87 F HN 0.195 nan 8.300 nan 0.000 0.471 88 W N 0.497 121.851 121.300 0.091 0.000 2.961 88 W HA 0.078 4.737 4.660 -0.001 0.000 0.240 88 W C 1.236 177.689 176.519 -0.109 0.000 1.305 88 W CA 0.682 57.963 57.345 -0.106 0.000 1.465 88 W CB -0.690 28.714 29.460 -0.095 0.000 1.135 88 W HN 0.293 nan 8.180 nan 0.000 0.688 89 E N 1.034 121.089 120.200 -0.241 0.000 2.476 89 E HA -0.030 4.319 4.350 -0.001 0.000 0.193 89 E C 0.915 177.439 176.600 -0.127 0.000 0.966 89 E CA 0.553 56.849 56.400 -0.172 0.000 1.114 89 E CB 0.458 29.855 29.700 -0.505 0.000 1.151 89 E HN 0.015 nan 8.360 nan 0.000 0.487 90 V N 0.850 120.654 119.914 -0.183 0.000 2.370 90 V HA 0.395 4.515 4.120 -0.001 0.000 0.279 90 V C 0.299 176.316 176.094 -0.128 0.000 1.280 90 V CA -0.117 62.108 62.300 -0.124 0.000 1.392 90 V CB 0.782 32.537 31.823 -0.113 0.000 1.464 90 V HN 0.252 nan 8.190 nan 0.000 0.525 91 Q N 1.146 120.855 119.800 -0.152 0.000 1.478 91 Q HA 0.211 4.550 4.340 -0.001 0.000 0.141 91 Q C 0.142 175.997 176.000 -0.242 0.000 0.650 91 Q CA 0.219 55.915 55.803 -0.179 0.000 0.664 91 Q CB 0.603 29.225 28.738 -0.194 0.000 1.095 91 Q HN 0.658 nan 8.270 nan 0.000 0.333 92 L N 1.651 122.689 121.223 -0.309 0.000 3.165 92 L HA 0.449 4.788 4.340 -0.001 0.000 0.327 92 L C 0.352 177.114 176.870 -0.180 0.000 1.294 92 L CA -0.106 54.538 54.840 -0.327 0.000 0.838 92 L CB 1.367 43.028 42.059 -0.665 0.000 1.274 92 L HN 0.115 nan 8.230 nan 0.000 0.590 93 G N 0.481 109.231 108.800 -0.083 0.000 2.527 93 G HA2 0.461 4.420 3.960 -0.001 0.000 0.248 93 G HA3 0.461 4.420 3.960 -0.001 0.000 0.248 93 G C -0.373 174.554 174.900 0.045 0.000 1.231 93 G CA -0.197 44.917 45.100 0.022 0.000 0.838 93 G HN 0.196 nan 8.290 nan 0.000 0.570 94 I N 2.781 123.417 120.570 0.110 0.000 2.330 94 I HA 0.199 4.368 4.170 -0.001 0.000 0.286 94 I C -1.873 174.391 176.117 0.244 0.000 1.025 94 I CA -1.667 59.720 61.300 0.145 0.000 1.197 94 I CB 1.769 39.846 38.000 0.128 0.000 1.358 94 I HN 0.277 nan 8.210 nan 0.000 0.467 95 P HA -0.038 nan 4.420 nan 0.000 0.264 95 P C -0.775 176.643 177.300 0.198 0.000 1.183 95 P CA 0.184 63.384 63.100 0.167 0.000 0.763 95 P CB 0.235 31.991 31.700 0.094 0.000 0.807 96 H N 3.631 122.705 119.070 0.006 0.000 2.489 96 H HA 0.423 4.979 4.556 -0.001 0.000 0.322 96 H C -2.102 173.082 175.328 -0.240 0.000 1.091 96 H CA -1.885 53.982 56.048 -0.301 0.000 1.291 96 H CB 0.651 30.210 29.762 -0.337 0.000 1.436 96 H HN 0.276 nan 8.280 nan 0.000 0.480 97 P HA 0.202 nan 4.420 nan 0.000 0.297 97 P C -0.104 176.884 177.300 -0.520 0.000 1.342 97 P CA -0.526 62.285 63.100 -0.482 0.000 0.801 97 P CB 1.700 33.200 31.700 -0.332 0.000 0.920 98 A N 3.510 126.210 122.820 -0.201 0.000 2.172 98 A HA 0.012 4.331 4.320 -0.001 0.000 0.216 98 A C 2.098 179.609 177.584 -0.121 0.000 1.154 98 A CA 1.600 53.580 52.037 -0.095 0.000 0.701 98 A CB -1.114 17.883 19.000 -0.004 0.000 0.789 98 A HN 0.613 nan 8.150 nan 0.000 0.465 99 G N -0.027 108.687 108.800 -0.142 0.000 2.402 99 G HA2 -0.122 3.838 3.960 -0.001 0.000 0.216 99 G HA3 -0.122 3.838 3.960 -0.001 0.000 0.216 99 G C 1.375 176.196 174.900 -0.132 0.000 1.162 99 G CA 1.025 46.059 45.100 -0.111 0.000 0.777 99 G HN 0.385 nan 8.290 nan 0.000 0.539 100 L N 1.849 122.960 121.223 -0.186 0.000 2.011 100 L HA -0.240 4.100 4.340 -0.001 0.000 0.225 100 L C 2.979 179.741 176.870 -0.179 0.000 1.084 100 L CA 2.812 57.548 54.840 -0.173 0.000 0.791 100 L CB -0.715 41.200 42.059 -0.240 0.000 0.898 100 L HN 0.526 nan 8.230 nan 0.000 0.440 101 K N -1.037 119.250 120.400 -0.189 0.000 2.360 101 K HA -0.199 4.120 4.320 -0.001 0.000 0.201 101 K C 1.710 178.181 176.600 -0.214 0.000 1.046 101 K CA 1.673 57.828 56.287 -0.219 0.000 0.940 101 K CB -0.416 31.983 32.500 -0.170 0.000 0.748 101 K HN 0.392 nan 8.250 nan 0.000 0.465 102 K N 0.822 121.129 120.400 -0.155 0.000 2.314 102 K HA 0.065 4.385 4.320 -0.001 0.000 0.198 102 K C 0.135 176.657 176.600 -0.130 0.000 1.045 102 K CA 0.184 56.397 56.287 -0.123 0.000 0.988 102 K CB 0.166 32.618 32.500 -0.081 0.000 0.783 102 K HN -0.010 nan 8.250 nan 0.000 0.484 103 K N 1.874 122.190 120.400 -0.141 0.000 2.414 103 K HA 0.004 4.324 4.320 -0.001 0.000 0.272 103 K C 0.793 177.301 176.600 -0.153 0.000 0.993 103 K CA 0.430 56.644 56.287 -0.121 0.000 0.964 103 K CB 0.628 33.068 32.500 -0.100 0.000 0.925 103 K HN 0.018 nan 8.250 nan 0.000 0.487 104 K N 0.641 120.971 120.400 -0.116 0.000 2.057 104 K HA -0.032 4.288 4.320 -0.001 0.000 0.206 104 K C 0.332 176.899 176.600 -0.054 0.000 1.050 104 K CA 1.036 57.261 56.287 -0.103 0.000 0.935 104 K CB 0.135 32.582 32.500 -0.089 0.000 0.715 104 K HN 0.332 nan 8.250 nan 0.000 0.439 105 S N 0.269 115.873 115.700 -0.159 0.000 2.538 105 S HA 0.430 4.900 4.470 -0.001 0.000 0.288 105 S C -1.103 173.292 174.600 -0.341 0.000 1.108 105 S CA -0.860 57.162 58.200 -0.296 0.000 0.971 105 S CB 2.449 65.261 63.200 -0.647 0.000 1.041 105 S HN -0.136 nan 8.310 nan 0.000 0.483 106 V N 2.922 122.675 119.914 -0.268 0.000 2.531 106 V HA 0.553 4.673 4.120 -0.001 0.000 0.301 106 V C -0.205 175.852 176.094 -0.063 0.000 1.034 106 V CA -0.548 61.701 62.300 -0.085 0.000 0.865 106 V CB 2.075 33.852 31.823 -0.075 0.000 0.995 106 V HN 0.885 nan 8.190 nan 0.000 0.424 107 T N 3.981 118.575 114.554 0.067 0.000 2.855 107 T HA 0.626 4.975 4.350 -0.001 0.000 0.281 107 T C -0.404 174.204 174.700 -0.154 0.000 1.007 107 T CA -0.429 61.659 62.100 -0.020 0.000 1.009 107 T CB 1.816 70.730 68.868 0.076 0.000 0.983 107 T HN 0.371 nan 8.240 nan 0.000 0.455 108 V N 4.549 124.307 119.914 -0.261 0.000 2.370 108 V HA 0.517 4.637 4.120 -0.001 0.000 0.283 108 V C -0.329 175.646 176.094 -0.198 0.000 1.023 108 V CA -0.778 61.299 62.300 -0.372 0.000 0.857 108 V CB 0.962 32.501 31.823 -0.474 0.000 0.985 108 V HN 0.676 nan 8.190 nan 0.000 0.443 109 L N 3.264 124.354 121.223 -0.220 0.000 2.362 109 L HA 0.596 4.935 4.340 -0.001 0.000 0.271 109 L C -0.137 176.643 176.870 -0.151 0.000 1.002 109 L CA -0.580 54.172 54.840 -0.147 0.000 0.818 109 L CB 2.198 44.173 42.059 -0.141 0.000 1.298 109 L HN 0.573 nan 8.230 nan 0.000 0.420 110 D N 1.131 121.457 120.400 -0.124 0.000 2.304 110 D HA 0.197 4.837 4.640 -0.001 0.000 0.250 110 D C -0.083 176.107 176.300 -0.184 0.000 1.107 110 D CA 0.038 53.955 54.000 -0.138 0.000 0.885 110 D CB 2.361 43.089 40.800 -0.120 0.000 1.192 110 D HN 0.221 nan 8.370 nan 0.000 0.436 111 V N 3.138 122.906 119.914 -0.244 0.000 3.382 111 V HA 0.098 4.217 4.120 -0.001 0.000 0.296 111 V C 1.967 177.669 176.094 -0.654 0.000 1.529 111 V CA 0.456 62.542 62.300 -0.356 0.000 1.048 111 V CB 1.091 32.747 31.823 -0.279 0.000 0.878 111 V HN 0.770 nan 8.190 nan 0.000 0.442 112 G N 0.092 108.538 108.800 -0.589 0.000 2.532 112 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.222 112 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.222 112 G C 0.978 175.285 174.900 -0.988 0.000 1.102 112 G CA 1.260 45.891 45.100 -0.781 0.000 0.742 112 G HN 0.489 nan 8.290 nan 0.000 0.577 113 D N 0.188 120.144 120.400 -0.740 0.000 2.347 113 D HA 0.155 4.795 4.640 -0.001 0.000 0.215 113 D C 2.580 178.510 176.300 -0.616 0.000 0.976 113 D CA 0.733 54.339 54.000 -0.657 0.000 0.884 113 D CB -0.054 40.542 40.800 -0.340 0.000 0.915 113 D HN 0.312 nan 8.370 nan 0.000 0.526 114 A N -0.181 122.145 122.820 -0.823 0.000 2.014 114 A HA -0.160 4.160 4.320 -0.001 0.000 0.218 114 A C 1.428 178.653 177.584 -0.598 0.000 1.163 114 A CA 0.791 52.366 52.037 -0.770 0.000 0.652 114 A CB -0.625 17.625 19.000 -1.250 0.000 0.808 114 A HN 0.200 nan 8.150 nan 0.000 0.449 115 Y N -0.895 119.105 120.300 -0.500 0.000 2.314 115 Y HA 0.017 4.567 4.550 -0.001 0.000 0.293 115 Y C 1.812 177.839 175.900 0.213 0.000 1.129 115 Y CA -0.209 57.788 58.100 -0.173 0.000 1.201 115 Y CB -1.238 37.148 38.460 -0.123 0.000 0.999 115 Y HN 0.416 nan 8.280 nan 0.000 0.541 116 F N 0.157 120.207 119.950 0.167 0.000 2.722 116 F HA -0.098 4.428 4.527 -0.001 0.000 0.298 116 F C 1.936 177.830 175.800 0.156 0.000 1.175 116 F CA 0.496 58.601 58.000 0.175 0.000 1.462 116 F CB -0.243 38.841 39.000 0.140 0.000 1.111 116 F HN 0.126 nan 8.300 nan 0.000 0.592 117 S N -1.142 114.754 115.700 0.327 0.000 2.535 117 S HA 0.160 4.630 4.470 -0.001 0.000 0.214 117 S C 0.213 174.978 174.600 0.276 0.000 0.980 117 S CA -0.258 58.101 58.200 0.265 0.000 0.907 117 S CB -0.313 63.032 63.200 0.242 0.000 0.790 117 S HN -0.051 nan 8.310 nan 0.000 0.510 118 V N 3.970 124.076 119.914 0.321 0.000 2.459 118 V HA 0.558 4.678 4.120 -0.001 0.000 0.295 118 V C -2.559 173.693 176.094 0.262 0.000 1.029 118 V CA -2.249 60.230 62.300 0.299 0.000 0.874 118 V CB 1.702 33.749 31.823 0.374 0.000 0.985 118 V HN 0.190 nan 8.190 nan 0.000 0.438 119 P HA 0.331 nan 4.420 nan 0.000 0.284 119 P C -0.878 176.528 177.300 0.177 0.000 1.258 119 P CA -0.490 62.719 63.100 0.180 0.000 0.824 119 P CB 1.726 33.509 31.700 0.139 0.000 1.038 120 L N 2.221 123.547 121.223 0.173 0.000 2.312 120 L HA 0.251 4.590 4.340 -0.001 0.000 0.281 120 L C 0.439 177.385 176.870 0.127 0.000 1.070 120 L CA -0.458 54.478 54.840 0.159 0.000 0.805 120 L CB 0.977 43.140 42.059 0.172 0.000 1.174 120 L HN 0.410 nan 8.230 nan 0.000 0.434 121 D N 3.601 124.069 120.400 0.113 0.000 2.570 121 D HA -0.138 4.501 4.640 -0.001 0.000 0.243 121 D C 1.203 177.570 176.300 0.112 0.000 1.171 121 D CA 0.516 54.580 54.000 0.106 0.000 0.879 121 D CB 0.819 41.676 40.800 0.096 0.000 1.143 121 D HN 0.481 nan 8.370 nan 0.000 0.511 122 E N 2.920 123.168 120.200 0.080 0.000 2.136 122 E HA -0.239 4.110 4.350 -0.001 0.000 0.202 122 E C 0.702 177.322 176.600 0.032 0.000 1.019 122 E CA 1.272 57.703 56.400 0.052 0.000 0.819 122 E CB 0.163 29.886 29.700 0.038 0.000 0.739 122 E HN 0.635 nan 8.360 nan 0.000 0.458 123 D N -1.236 119.196 120.400 0.053 0.000 2.363 123 D HA -0.092 4.548 4.640 -0.001 0.000 0.220 123 D C 1.379 177.699 176.300 0.033 0.000 0.994 123 D CA 0.264 54.282 54.000 0.031 0.000 0.890 123 D CB -0.178 40.659 40.800 0.061 0.000 0.906 123 D HN 0.191 nan 8.370 nan 0.000 0.530 124 F N 0.935 120.842 119.950 -0.072 0.000 2.678 124 F HA 0.178 4.704 4.527 -0.001 0.000 0.291 124 F C 2.091 177.788 175.800 -0.171 0.000 1.123 124 F CA -0.100 57.858 58.000 -0.070 0.000 1.395 124 F CB 0.286 39.226 39.000 -0.099 0.000 1.121 124 F HN -0.311 nan 8.300 nan 0.000 0.592 125 R N 1.233 121.701 120.500 -0.053 0.000 2.134 125 R HA -0.276 4.063 4.340 -0.001 0.000 0.248 125 R C 2.173 178.344 176.300 -0.215 0.000 1.143 125 R CA 2.616 58.669 56.100 -0.079 0.000 0.957 125 R CB -0.475 29.817 30.300 -0.014 0.000 0.867 125 R HN 0.383 nan 8.270 nan 0.000 0.441 126 K N -0.608 119.575 120.400 -0.362 0.000 2.074 126 K HA -0.211 4.108 4.320 -0.001 0.000 0.209 126 K C 1.643 178.023 176.600 -0.366 0.000 1.048 126 K CA 1.897 57.980 56.287 -0.339 0.000 0.926 126 K CB -0.635 31.645 32.500 -0.368 0.000 0.713 126 K HN 0.191 nan 8.250 nan 0.000 0.444 127 Y N 2.523 122.483 120.300 -0.566 0.000 2.465 127 Y HA -0.125 4.424 4.550 -0.001 0.000 0.289 127 Y C 2.212 177.903 175.900 -0.348 0.000 1.150 127 Y CA 1.283 58.938 58.100 -0.743 0.000 1.293 127 Y CB -0.941 36.767 38.460 -1.252 0.000 0.977 127 Y HN 0.373 nan 8.280 nan 0.000 0.556 128 T N -2.468 112.047 114.554 -0.065 0.000 3.206 128 T HA 0.574 4.924 4.350 -0.001 0.000 0.253 128 T C 0.670 175.600 174.700 0.384 0.000 1.042 128 T CA -0.064 62.187 62.100 0.252 0.000 0.931 128 T CB -0.666 68.338 68.868 0.227 0.000 1.029 128 T HN 0.202 nan 8.240 nan 0.000 0.564 129 A N 1.694 124.635 122.820 0.202 0.000 2.445 129 A HA 0.627 4.946 4.320 -0.001 0.000 0.242 129 A C -0.111 177.599 177.584 0.209 0.000 1.075 129 A CA -0.598 51.499 52.037 0.100 0.000 0.777 129 A CB -0.231 18.801 19.000 0.053 0.000 1.013 129 A HN 0.825 nan 8.150 nan 0.000 0.493 130 F N -1.176 118.839 119.950 0.110 0.000 2.685 130 F HA 0.823 5.349 4.527 -0.001 0.000 0.315 130 F C -0.406 175.423 175.800 0.048 0.000 1.126 130 F CA -0.815 57.217 58.000 0.052 0.000 0.950 130 F CB 1.364 40.379 39.000 0.025 0.000 1.360 130 F HN 0.412 nan 8.300 nan 0.000 0.469 131 T N 1.982 116.710 114.554 0.290 0.000 2.900 131 T HA 0.589 4.938 4.350 -0.001 0.000 0.295 131 T C -0.786 174.023 174.700 0.180 0.000 1.044 131 T CA -0.531 61.657 62.100 0.147 0.000 0.995 131 T CB 1.887 70.775 68.868 0.033 0.000 1.072 131 T HN 0.593 nan 8.240 nan 0.000 0.473 132 I N 4.503 125.159 120.570 0.142 0.000 2.330 132 I HA 0.288 4.458 4.170 -0.001 0.000 0.286 132 I C -2.128 174.004 176.117 0.025 0.000 1.025 132 I CA -2.386 58.972 61.300 0.096 0.000 1.197 132 I CB 1.388 39.473 38.000 0.141 0.000 1.358 132 I HN 0.280 nan 8.210 nan 0.000 0.467 133 P HA 0.111 nan 4.420 nan 0.000 0.274 133 P C -0.181 177.104 177.300 -0.024 0.000 1.237 133 P CA -0.164 62.925 63.100 -0.018 0.000 0.793 133 P CB 1.152 32.840 31.700 -0.020 0.000 0.977 134 S N 1.347 117.030 115.700 -0.028 0.000 2.719 134 S HA 0.553 5.022 4.470 -0.001 0.000 0.285 134 S C 0.196 174.779 174.600 -0.029 0.000 1.137 134 S CA -0.785 57.398 58.200 -0.029 0.000 1.012 134 S CB 0.302 63.483 63.200 -0.030 0.000 1.134 134 S HN 0.334 nan 8.310 nan 0.000 0.544 135 I N 1.437 121.990 120.570 -0.028 0.000 2.412 135 I HA 0.350 4.520 4.170 -0.001 0.000 0.296 135 I C 0.400 176.503 176.117 -0.022 0.000 0.987 135 I CA -0.336 60.949 61.300 -0.025 0.000 1.180 135 I CB 1.097 39.082 38.000 -0.026 0.000 1.340 135 I HN 0.946 nan 8.210 nan 0.000 0.455 136 N N 4.954 123.642 118.700 -0.020 0.000 2.708 136 N HA -0.278 4.461 4.740 -0.001 0.000 0.249 136 N C -0.089 175.408 175.510 -0.021 0.000 1.097 136 N CA 0.953 53.992 53.050 -0.018 0.000 0.710 136 N CB -0.965 37.512 38.487 -0.016 0.000 1.032 136 N HN 0.790 nan 8.380 nan 0.000 0.551 137 N N -1.321 117.364 118.700 -0.024 0.000 2.710 137 N HA -0.240 4.500 4.740 -0.001 0.000 0.249 137 N C 0.625 176.119 175.510 -0.027 0.000 1.059 137 N CA 1.285 54.318 53.050 -0.027 0.000 0.720 137 N CB -1.010 37.460 38.487 -0.028 0.000 0.983 137 N HN 0.701 nan 8.380 nan 0.000 0.544 138 E N -0.252 119.933 120.200 -0.025 0.000 2.070 138 E HA -0.126 4.224 4.350 -0.001 0.000 0.197 138 E C 1.252 177.836 176.600 -0.028 0.000 1.004 138 E CA 1.962 58.348 56.400 -0.024 0.000 0.805 138 E CB 0.174 29.860 29.700 -0.023 0.000 0.744 138 E HN 0.738 nan 8.360 nan 0.000 0.451 139 T N -3.420 111.115 114.554 -0.031 0.000 2.778 139 T HA 0.483 4.833 4.350 -0.001 0.000 0.293 139 T C -2.824 171.850 174.700 -0.042 0.000 1.144 139 T CA -1.944 60.134 62.100 -0.037 0.000 1.010 139 T CB 1.556 70.402 68.868 -0.037 0.000 1.325 139 T HN -0.309 nan 8.240 nan 0.000 0.515 140 P HA 0.373 nan 4.420 nan 0.000 0.275 140 P C 0.525 177.788 177.300 -0.061 0.000 1.228 140 P CA 0.029 63.094 63.100 -0.058 0.000 0.786 140 P CB 0.170 31.830 31.700 -0.067 0.000 0.927 141 G N 1.537 110.300 108.800 -0.060 0.000 2.667 141 G HA2 0.319 4.279 3.960 -0.001 0.000 0.250 141 G HA3 0.319 4.279 3.960 -0.001 0.000 0.250 141 G C -0.395 174.452 174.900 -0.089 0.000 1.212 141 G CA -0.472 44.596 45.100 -0.055 0.000 0.874 141 G HN 0.351 nan 8.290 nan 0.000 0.561 142 I N 1.237 121.756 120.570 -0.084 0.000 2.301 142 I HA 0.233 4.402 4.170 -0.001 0.000 0.292 142 I C 0.667 176.618 176.117 -0.275 0.000 1.046 142 I CA -0.196 60.985 61.300 -0.199 0.000 1.282 142 I CB 0.849 38.767 38.000 -0.137 0.000 1.409 142 I HN 0.179 nan 8.210 nan 0.000 0.484 143 R N 5.854 126.130 120.500 -0.372 0.000 2.410 143 R HA 0.515 4.855 4.340 -0.001 0.000 0.288 143 R C -1.155 174.773 176.300 -0.621 0.000 1.051 143 R CA -0.520 55.360 56.100 -0.366 0.000 1.021 143 R CB 1.074 31.221 30.300 -0.256 0.000 1.032 143 R HN 0.414 nan 8.270 nan 0.000 0.481 144 Y N -0.200 119.757 120.300 -0.573 0.000 2.615 144 Y HA 0.256 4.805 4.550 -0.001 0.000 0.341 144 Y C -0.082 175.396 175.900 -0.704 0.000 1.089 144 Y CA -0.848 56.833 58.100 -0.699 0.000 1.049 144 Y CB 2.199 40.044 38.460 -1.023 0.000 1.296 144 Y HN 0.487 nan 8.280 nan 0.000 0.470 145 Q N -0.023 119.639 119.800 -0.230 0.000 2.418 145 Q HA 0.515 4.855 4.340 -0.001 0.000 0.282 145 Q C -2.189 173.812 176.000 0.002 0.000 1.044 145 Q CA -1.042 54.716 55.803 -0.074 0.000 0.813 145 Q CB 2.062 30.771 28.738 -0.048 0.000 1.428 145 Q HN 0.613 nan 8.270 nan 0.000 0.402 146 Y N 1.356 121.708 120.300 0.086 0.000 2.301 146 Y HA 0.219 4.768 4.550 -0.001 0.000 0.328 146 Y C 0.564 176.495 175.900 0.051 0.000 1.242 146 Y CA 0.465 58.623 58.100 0.096 0.000 1.323 146 Y CB 1.294 39.848 38.460 0.158 0.000 1.266 146 Y HN 0.812 nan 8.280 nan 0.000 0.527 147 N N -0.173 118.629 118.700 0.169 0.000 2.227 147 N HA 0.157 4.897 4.740 -0.001 0.000 0.196 147 N C -0.997 174.624 175.510 0.184 0.000 1.142 147 N CA 0.038 53.164 53.050 0.128 0.000 0.887 147 N CB 1.000 39.523 38.487 0.061 0.000 1.022 147 N HN 0.319 nan 8.380 nan 0.000 0.500 148 V N -2.096 117.984 119.914 0.276 0.000 3.126 148 V HA 0.487 4.606 4.120 -0.001 0.000 0.314 148 V C -0.189 176.129 176.094 0.375 0.000 1.138 148 V CA -1.332 61.157 62.300 0.315 0.000 1.034 148 V CB 1.399 33.419 31.823 0.327 0.000 1.075 148 V HN -0.082 nan 8.190 nan 0.000 0.442 149 L N 3.565 125.008 121.223 0.366 0.000 2.660 149 L HA 0.227 4.567 4.340 -0.001 0.000 0.272 149 L C -2.021 175.062 176.870 0.354 0.000 1.194 149 L CA -0.726 54.300 54.840 0.309 0.000 0.945 149 L CB 0.226 42.402 42.059 0.195 0.000 1.212 149 L HN 0.569 nan 8.230 nan 0.000 0.490 150 P HA 0.165 nan 4.420 nan 0.000 0.288 150 P C -1.039 176.374 177.300 0.189 0.000 1.267 150 P CA -0.679 62.334 63.100 -0.144 0.000 0.815 150 P CB 0.975 32.195 31.700 -0.800 0.000 0.989 151 Q N 0.735 120.781 119.800 0.410 0.000 2.392 151 Q HA 0.359 4.698 4.340 -0.001 0.000 0.262 151 Q C 1.294 177.514 176.000 0.366 0.000 1.003 151 Q CA 0.844 56.871 55.803 0.372 0.000 0.888 151 Q CB -0.013 28.909 28.738 0.306 0.000 1.260 151 Q HN 0.863 nan 8.270 nan 0.000 0.435 152 G N 0.996 109.983 108.800 0.311 0.000 2.299 152 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.237 152 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.237 152 G C -0.641 174.473 174.900 0.357 0.000 1.027 152 G CA -0.002 45.337 45.100 0.398 0.000 0.619 152 G HN 0.671 nan 8.290 nan 0.000 0.513 153 W N 3.496 124.741 121.300 -0.092 0.000 2.335 153 W HA 0.699 5.359 4.660 -0.001 0.000 0.306 153 W C 1.078 177.404 176.519 -0.321 0.000 1.216 153 W CA -0.887 56.235 57.345 -0.372 0.000 1.237 153 W CB 0.636 29.651 29.460 -0.743 0.000 1.243 153 W HN 0.050 nan 8.180 nan 0.000 0.493 154 K N 3.497 123.442 120.400 -0.758 0.000 2.515 154 K HA -0.053 4.267 4.320 -0.001 0.000 0.196 154 K C 1.814 177.747 176.600 -1.112 0.000 1.038 154 K CA 0.985 56.647 56.287 -1.043 0.000 0.967 154 K CB -0.033 31.485 32.500 -1.637 0.000 0.780 154 K HN 0.763 nan 8.250 nan 0.000 0.483 155 G N 0.498 108.090 108.800 -2.014 0.000 2.494 155 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.216 155 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.216 155 G C 1.475 175.675 174.900 -1.168 0.000 1.140 155 G CA 0.062 44.107 45.100 -1.758 0.000 0.801 155 G HN 0.126 nan 8.290 nan 0.000 0.536 156 S N 1.725 116.728 115.700 -1.162 0.000 2.365 156 S HA -0.098 4.371 4.470 -0.001 0.000 0.221 156 S C 0.212 174.392 174.600 -0.700 0.000 1.037 156 S CA 1.709 59.413 58.200 -0.825 0.000 1.060 156 S CB -0.820 61.743 63.200 -1.062 0.000 0.974 156 S HN 0.388 nan 8.310 nan 0.000 0.427 157 P HA 0.068 nan 4.420 nan 0.000 0.226 157 P C 1.046 178.271 177.300 -0.126 0.000 1.153 157 P CA 1.166 64.136 63.100 -0.217 0.000 0.777 157 P CB -0.073 31.520 31.700 -0.178 0.000 0.794 158 A N 0.132 122.829 122.820 -0.206 0.000 1.873 158 A HA -0.100 4.219 4.320 -0.001 0.000 0.215 158 A C 2.314 179.833 177.584 -0.109 0.000 1.186 158 A CA 1.120 53.066 52.037 -0.151 0.000 0.616 158 A CB -1.383 17.513 19.000 -0.174 0.000 0.823 158 A HN 0.099 nan 8.150 nan 0.000 0.442 159 I N -2.240 118.299 120.570 -0.051 0.000 2.162 159 I HA -0.169 4.001 4.170 -0.001 0.000 0.238 159 I C 2.218 178.364 176.117 0.049 0.000 1.076 159 I CA 1.300 62.621 61.300 0.035 0.000 1.353 159 I CB -0.324 37.741 38.000 0.107 0.000 1.063 159 I HN 0.357 nan 8.210 nan 0.000 0.408 160 F N 1.608 121.522 119.950 -0.061 0.000 2.449 160 F HA -0.251 4.276 4.527 -0.001 0.000 0.299 160 F C 2.477 178.272 175.800 -0.007 0.000 1.092 160 F CA 1.291 59.299 58.000 0.014 0.000 1.446 160 F CB -0.398 38.684 39.000 0.136 0.000 1.084 160 F HN 0.127 nan 8.300 nan 0.000 0.567 161 Q N 0.095 119.911 119.800 0.025 0.000 2.082 161 Q HA -0.336 4.004 4.340 -0.001 0.000 0.211 161 Q C 2.471 178.396 176.000 -0.124 0.000 1.002 161 Q CA 3.066 58.851 55.803 -0.030 0.000 0.868 161 Q CB -0.273 28.440 28.738 -0.042 0.000 0.931 161 Q HN 0.564 nan 8.270 nan 0.000 0.414 162 S N -0.475 115.130 115.700 -0.157 0.000 2.359 162 S HA -0.163 4.306 4.470 -0.001 0.000 0.224 162 S C 2.108 176.544 174.600 -0.273 0.000 1.035 162 S CA 1.581 59.677 58.200 -0.172 0.000 1.018 162 S CB -0.579 62.540 63.200 -0.134 0.000 0.876 162 S HN 0.314 nan 8.310 nan 0.000 0.448 163 S N 1.692 117.103 115.700 -0.482 0.000 2.368 163 S HA -0.006 4.464 4.470 -0.001 0.000 0.225 163 S C 1.861 176.096 174.600 -0.608 0.000 1.030 163 S CA 1.480 59.283 58.200 -0.662 0.000 0.999 163 S CB -0.522 61.967 63.200 -1.186 0.000 0.844 163 S HN 0.425 nan 8.310 nan 0.000 0.459 164 M N 2.077 121.358 119.600 -0.531 0.000 2.080 164 M HA -0.085 4.395 4.480 -0.001 0.000 0.260 164 M C 2.068 178.251 176.300 -0.195 0.000 1.068 164 M CA 1.645 56.841 55.300 -0.173 0.000 1.109 164 M CB -1.513 31.131 32.600 0.073 0.000 1.342 164 M HN 0.179 nan 8.290 nan 0.000 0.405 165 T N 0.223 114.677 114.554 -0.167 0.000 2.737 165 T HA -0.159 4.190 4.350 -0.001 0.000 0.269 165 T C 1.892 176.502 174.700 -0.150 0.000 1.040 165 T CA 1.328 63.354 62.100 -0.122 0.000 1.142 165 T CB -0.131 68.683 68.868 -0.090 0.000 0.861 165 T HN 0.175 nan 8.240 nan 0.000 0.456 166 K N 1.041 121.317 120.400 -0.208 0.000 2.031 166 K HA 0.194 4.514 4.320 -0.001 0.000 0.205 166 K C 2.145 178.539 176.600 -0.344 0.000 1.049 166 K CA 0.819 56.988 56.287 -0.196 0.000 0.939 166 K CB -0.779 31.621 32.500 -0.165 0.000 0.717 166 K HN 0.379 nan 8.250 nan 0.000 0.438 167 I N 0.840 121.020 120.570 -0.650 0.000 2.315 167 I HA -0.284 3.886 4.170 -0.001 0.000 0.251 167 I C 1.711 177.461 176.117 -0.611 0.000 1.125 167 I CA 1.206 61.785 61.300 -1.201 0.000 1.392 167 I CB -0.166 37.219 38.000 -1.025 0.000 1.065 167 I HN 0.050 nan 8.210 nan 0.000 0.424 168 L N -0.291 120.746 121.223 -0.310 0.000 2.554 168 L HA 0.024 4.364 4.340 -0.001 0.000 0.225 168 L C 2.426 179.264 176.870 -0.055 0.000 1.104 168 L CA 0.043 54.792 54.840 -0.152 0.000 0.866 168 L CB -0.437 41.561 42.059 -0.102 0.000 1.047 168 L HN 0.217 nan 8.230 nan 0.000 0.468 169 E N 1.916 122.084 120.200 -0.054 0.000 2.065 169 E HA -0.239 4.111 4.350 -0.001 0.000 0.201 169 E C -0.608 176.008 176.600 0.026 0.000 1.016 169 E CA 1.956 58.354 56.400 -0.004 0.000 0.818 169 E CB -0.843 28.860 29.700 0.004 0.000 0.749 169 E HN 0.276 nan 8.360 nan 0.000 0.453 170 P HA -0.135 nan 4.420 nan 0.000 0.213 170 P C 1.489 178.793 177.300 0.007 0.000 1.170 170 P CA 1.228 64.381 63.100 0.089 0.000 0.898 170 P CB -0.486 31.357 31.700 0.238 0.000 0.787 171 F N 0.727 120.507 119.950 -0.282 0.000 2.087 171 F HA -0.274 4.253 4.527 -0.001 0.000 0.299 171 F C 2.358 178.070 175.800 -0.145 0.000 1.100 171 F CA 1.778 59.580 58.000 -0.330 0.000 1.226 171 F CB -0.396 38.291 39.000 -0.522 0.000 0.983 171 F HN -0.256 nan 8.300 nan 0.000 0.479 172 R N 0.176 120.710 120.500 0.057 0.000 2.073 172 R HA -0.201 4.139 4.340 -0.001 0.000 0.234 172 R C 2.416 178.670 176.300 -0.078 0.000 1.134 172 R CA 1.687 57.792 56.100 0.008 0.000 0.952 172 R CB -0.594 29.734 30.300 0.047 0.000 0.850 172 R HN 0.274 nan 8.270 nan 0.000 0.433 173 K N 1.169 121.536 120.400 -0.055 0.000 2.113 173 K HA -0.226 4.093 4.320 -0.001 0.000 0.208 173 K C 1.641 178.188 176.600 -0.087 0.000 1.047 173 K CA 1.724 57.981 56.287 -0.050 0.000 0.928 173 K CB 0.085 32.574 32.500 -0.019 0.000 0.716 173 K HN 0.310 nan 8.250 nan 0.000 0.446 174 Q N -0.442 119.270 119.800 -0.147 0.000 2.425 174 Q HA 0.014 4.354 4.340 -0.001 0.000 0.204 174 Q C -0.404 175.446 176.000 -0.250 0.000 0.933 174 Q CA 0.444 56.142 55.803 -0.175 0.000 0.939 174 Q CB 0.387 29.026 28.738 -0.166 0.000 1.044 174 Q HN 0.297 nan 8.270 nan 0.000 0.513 175 N N -0.159 118.356 118.700 -0.308 0.000 2.687 175 N HA 0.129 4.868 4.740 -0.001 0.000 0.275 175 N C -2.508 172.910 175.510 -0.153 0.000 1.789 175 N CA -0.939 51.941 53.050 -0.283 0.000 0.806 175 N CB 1.120 39.301 38.487 -0.509 0.000 1.256 175 N HN -0.090 nan 8.380 nan 0.000 0.500 176 P HA -0.117 nan 4.420 nan 0.000 0.224 176 P C -0.050 177.230 177.300 -0.033 0.000 1.142 176 P CA 1.232 64.301 63.100 -0.052 0.000 0.778 176 P CB 0.268 31.941 31.700 -0.044 0.000 0.764 177 D N -1.473 118.906 120.400 -0.035 0.000 2.402 177 D HA 0.171 4.811 4.640 -0.001 0.000 0.216 177 D C 0.518 176.823 176.300 0.008 0.000 1.128 177 D CA 0.080 54.071 54.000 -0.015 0.000 0.833 177 D CB 0.252 41.043 40.800 -0.016 0.000 0.971 177 D HN 0.217 nan 8.370 nan 0.000 0.503 178 I N 1.333 121.915 120.570 0.020 0.000 2.377 178 I HA 0.243 4.412 4.170 -0.001 0.000 0.293 178 I C -0.156 176.011 176.117 0.084 0.000 0.987 178 I CA -0.886 60.463 61.300 0.082 0.000 1.185 178 I CB 2.131 40.222 38.000 0.152 0.000 1.341 178 I HN -0.382 nan 8.210 nan 0.000 0.455 179 V N 7.279 127.242 119.914 0.081 0.000 2.394 179 V HA 0.457 4.576 4.120 -0.001 0.000 0.282 179 V C 0.012 176.168 176.094 0.103 0.000 1.031 179 V CA -0.461 61.877 62.300 0.064 0.000 0.881 179 V CB 1.684 33.513 31.823 0.010 0.000 0.982 179 V HN 0.471 nan 8.190 nan 0.000 0.451 180 I N 5.538 126.175 120.570 0.111 0.000 2.411 180 I HA 0.410 4.579 4.170 -0.001 0.000 0.284 180 I C -1.159 175.071 176.117 0.188 0.000 1.012 180 I CA -0.612 60.764 61.300 0.127 0.000 1.119 180 I CB 1.370 39.416 38.000 0.076 0.000 1.261 180 I HN 0.617 nan 8.210 nan 0.000 0.448 181 Y N 6.351 126.709 120.300 0.097 0.000 2.429 181 Y HA 0.450 4.999 4.550 -0.001 0.000 0.342 181 Y C -0.522 175.517 175.900 0.231 0.000 1.004 181 Y CA -0.995 57.171 58.100 0.111 0.000 1.075 181 Y CB 1.693 40.172 38.460 0.032 0.000 1.214 181 Y HN 0.571 nan 8.280 nan 0.000 0.455 182 Q N 6.069 125.637 119.800 -0.387 0.000 2.368 182 Q HA 0.295 4.634 4.340 -0.001 0.000 0.263 182 Q C -2.354 173.320 176.000 -0.542 0.000 1.009 182 Q CA -0.775 54.851 55.803 -0.294 0.000 0.818 182 Q CB 0.932 29.614 28.738 -0.094 0.000 1.239 182 Q HN 0.779 nan 8.270 nan 0.000 0.464 183 Y N 6.832 126.913 120.300 -0.364 0.000 2.464 183 Y HA 0.345 4.895 4.550 -0.001 0.000 0.326 183 Y C 0.191 176.118 175.900 0.045 0.000 0.969 183 Y CA -0.278 57.696 58.100 -0.210 0.000 1.270 183 Y CB 0.402 38.798 38.460 -0.106 0.000 1.103 183 Y HN 1.054 nan 8.280 nan 0.000 0.491 184 M N 1.403 120.750 119.600 -0.422 0.000 7.319 184 M HA -0.446 4.033 4.480 -0.001 0.000 0.299 184 M C 0.444 176.773 176.300 0.048 0.000 0.480 184 M CA 2.144 57.309 55.300 -0.224 0.000 1.311 184 M CB -0.871 31.607 32.600 -0.204 0.000 0.421 184 M HN 0.576 nan 8.290 nan 0.000 0.612 185 D N 0.986 121.467 120.400 0.136 0.000 2.312 185 D HA 0.049 4.689 4.640 -0.001 0.000 0.211 185 D C -0.114 176.184 176.300 -0.004 0.000 0.964 185 D CA 1.020 55.070 54.000 0.085 0.000 0.877 185 D CB -0.081 40.761 40.800 0.071 0.000 0.924 185 D HN 0.315 nan 8.370 nan 0.000 0.515 186 D N 0.021 120.464 120.400 0.072 0.000 2.272 186 D HA 0.317 4.957 4.640 -0.001 0.000 0.247 186 D C -0.453 175.816 176.300 -0.051 0.000 0.990 186 D CA -0.628 53.358 54.000 -0.023 0.000 0.931 186 D CB 2.199 42.971 40.800 -0.047 0.000 1.195 186 D HN -0.141 nan 8.370 nan 0.000 0.477 187 L N 1.425 122.540 121.223 -0.180 0.000 2.333 187 L HA 0.308 4.647 4.340 -0.001 0.000 0.280 187 L C -1.433 175.298 176.870 -0.232 0.000 1.004 187 L CA -0.719 54.051 54.840 -0.117 0.000 0.820 187 L CB 0.937 42.925 42.059 -0.119 0.000 1.247 187 L HN 0.255 nan 8.230 nan 0.000 0.416 188 Y N 3.880 124.193 120.300 0.023 0.000 2.331 188 Y HA 0.586 5.136 4.550 -0.001 0.000 0.338 188 Y C -0.120 175.811 175.900 0.051 0.000 0.976 188 Y CA -0.759 57.376 58.100 0.058 0.000 1.137 188 Y CB 1.702 40.255 38.460 0.154 0.000 1.172 188 Y HN 0.204 nan 8.280 nan 0.000 0.478 189 V N 3.512 123.497 119.914 0.118 0.000 2.376 189 V HA 0.700 4.819 4.120 -0.001 0.000 0.287 189 V C 0.262 176.458 176.094 0.169 0.000 1.015 189 V CA -0.802 61.562 62.300 0.106 0.000 0.834 189 V CB 1.369 33.199 31.823 0.010 0.000 1.001 189 V HN 0.918 nan 8.190 nan 0.000 0.428 190 G N 2.878 111.767 108.800 0.149 0.000 2.416 190 G HA2 0.755 4.715 3.960 -0.001 0.000 0.329 190 G HA3 0.755 4.715 3.960 -0.001 0.000 0.329 190 G C -0.484 174.499 174.900 0.139 0.000 1.173 190 G CA -0.208 44.962 45.100 0.118 0.000 0.929 190 G HN 0.980 nan 8.290 nan 0.000 0.475 191 S N -0.174 115.597 115.700 0.118 0.000 2.565 191 S HA 0.423 4.892 4.470 -0.001 0.000 0.269 191 S C -0.962 173.651 174.600 0.022 0.000 1.153 191 S CA -0.794 57.478 58.200 0.120 0.000 0.835 191 S CB 2.221 65.589 63.200 0.279 0.000 1.122 191 S HN 0.364 nan 8.310 nan 0.000 0.462 192 D N 1.382 121.793 120.400 0.018 0.000 2.388 192 D HA 0.276 4.915 4.640 -0.001 0.000 0.221 192 D C 0.414 176.717 176.300 0.005 0.000 1.133 192 D CA -0.009 53.983 54.000 -0.014 0.000 0.831 192 D CB 0.142 40.930 40.800 -0.019 0.000 0.962 192 D HN 0.427 nan 8.370 nan 0.000 0.502 193 L N 0.981 122.233 121.223 0.049 0.000 2.472 193 L HA 0.052 4.392 4.340 -0.001 0.000 0.260 193 L C 1.264 178.167 176.870 0.054 0.000 1.209 193 L CA -0.189 54.692 54.840 0.067 0.000 0.817 193 L CB 0.587 42.722 42.059 0.127 0.000 1.106 193 L HN -0.006 nan 8.230 nan 0.000 0.479 194 E N 0.841 121.072 120.200 0.052 0.000 2.418 194 E HA -0.106 4.244 4.350 -0.001 0.000 0.261 194 E C 0.909 177.559 176.600 0.083 0.000 1.070 194 E CA -0.357 56.068 56.400 0.042 0.000 0.931 194 E CB 0.871 30.593 29.700 0.036 0.000 0.954 194 E HN 0.421 nan 8.360 nan 0.000 0.439 195 I N 4.691 125.303 120.570 0.070 0.000 2.194 195 I HA -0.194 3.976 4.170 -0.001 0.000 0.246 195 I C 2.021 178.226 176.117 0.147 0.000 1.093 195 I CA 2.116 63.487 61.300 0.119 0.000 1.355 195 I CB -1.180 36.875 38.000 0.092 0.000 1.046 195 I HN 0.750 nan 8.210 nan 0.000 0.413 196 G N -0.798 108.060 108.800 0.096 0.000 2.408 196 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.217 196 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.217 196 G C 1.472 176.421 174.900 0.082 0.000 1.150 196 G CA 0.545 45.693 45.100 0.079 0.000 0.776 196 G HN 0.539 nan 8.290 nan 0.000 0.542 197 Q N -0.827 119.027 119.800 0.089 0.000 2.187 197 Q HA -0.017 4.322 4.340 -0.001 0.000 0.199 197 Q C 2.174 178.238 176.000 0.108 0.000 0.957 197 Q CA 1.055 56.907 55.803 0.082 0.000 0.857 197 Q CB -0.164 28.615 28.738 0.069 0.000 0.929 197 Q HN 0.689 nan 8.270 nan 0.000 0.453 198 H N 1.581 120.683 119.070 0.053 0.000 2.256 198 H HA -0.006 4.550 4.556 -0.001 0.000 0.299 198 H C 1.981 177.348 175.328 0.065 0.000 1.071 198 H CA 1.729 57.815 56.048 0.063 0.000 1.280 198 H CB 0.185 29.983 29.762 0.059 0.000 1.370 198 H HN -0.006 nan 8.280 nan 0.000 0.490 199 R N -0.638 119.909 120.500 0.079 0.000 2.139 199 R HA -0.135 4.205 4.340 -0.001 0.000 0.243 199 R C 2.186 178.478 176.300 -0.012 0.000 1.145 199 R CA 1.723 57.833 56.100 0.017 0.000 0.976 199 R CB -0.501 29.847 30.300 0.079 0.000 0.866 199 R HN 0.411 nan 8.270 nan 0.000 0.449 200 T N 1.075 115.640 114.554 0.018 0.000 2.770 200 T HA -0.039 4.310 4.350 -0.001 0.000 0.263 200 T C 1.705 176.433 174.700 0.047 0.000 1.039 200 T CA 0.893 63.013 62.100 0.033 0.000 1.142 200 T CB 0.067 68.963 68.868 0.046 0.000 0.868 200 T HN 0.200 nan 8.240 nan 0.000 0.435 201 K N 0.750 121.181 120.400 0.051 0.000 2.097 201 K HA 0.006 4.325 4.320 -0.001 0.000 0.206 201 K C 2.139 178.798 176.600 0.099 0.000 1.049 201 K CA 0.867 57.252 56.287 0.163 0.000 0.933 201 K CB -0.481 32.134 32.500 0.191 0.000 0.717 201 K HN 0.272 nan 8.250 nan 0.000 0.442 202 I N 1.856 122.371 120.570 -0.093 0.000 2.179 202 I HA -0.255 3.914 4.170 -0.001 0.000 0.242 202 I C 2.508 178.570 176.117 -0.091 0.000 1.088 202 I CA 1.433 62.636 61.300 -0.162 0.000 1.357 202 I CB -0.396 37.473 38.000 -0.217 0.000 1.051 202 I HN 0.154 nan 8.210 nan 0.000 0.409 203 E N 0.635 120.815 120.200 -0.034 0.000 2.153 203 E HA -0.276 4.073 4.350 -0.001 0.000 0.194 203 E C 2.107 178.726 176.600 0.032 0.000 0.988 203 E CA 1.626 58.023 56.400 -0.005 0.000 0.811 203 E CB -0.261 29.445 29.700 0.009 0.000 0.746 203 E HN 0.546 nan 8.360 nan 0.000 0.466 204 E N -0.242 120.012 120.200 0.090 0.000 2.106 204 E HA -0.139 4.211 4.350 -0.001 0.000 0.192 204 E C 2.073 178.823 176.600 0.251 0.000 0.984 204 E CA 0.873 57.394 56.400 0.201 0.000 0.806 204 E CB -0.216 29.677 29.700 0.320 0.000 0.750 204 E HN 0.385 nan 8.360 nan 0.000 0.458 205 L N 0.902 122.113 121.223 -0.021 0.000 2.141 205 L HA -0.129 4.211 4.340 -0.001 0.000 0.209 205 L C 2.291 179.093 176.870 -0.115 0.000 1.094 205 L CA 1.382 55.972 54.840 -0.415 0.000 0.763 205 L CB -0.321 41.188 42.059 -0.917 0.000 0.908 205 L HN 0.180 nan 8.230 nan 0.000 0.437 206 R N -0.768 119.693 120.500 -0.064 0.000 2.120 206 R HA -0.152 4.188 4.340 -0.001 0.000 0.234 206 R C 2.221 178.542 176.300 0.035 0.000 1.123 206 R CA 1.048 57.133 56.100 -0.026 0.000 0.975 206 R CB -0.032 30.249 30.300 -0.032 0.000 0.866 206 R HN 0.520 nan 8.270 nan 0.000 0.446 207 Q N -0.340 119.493 119.800 0.055 0.000 2.079 207 Q HA -0.131 4.208 4.340 -0.001 0.000 0.200 207 Q C 2.028 178.065 176.000 0.061 0.000 0.974 207 Q CA 1.303 57.121 55.803 0.026 0.000 0.840 207 Q CB -0.292 28.431 28.738 -0.024 0.000 0.898 207 Q HN 0.583 nan 8.270 nan 0.000 0.430 208 H N 0.285 119.436 119.070 0.135 0.000 2.290 208 H HA -0.135 4.421 4.556 -0.001 0.000 0.298 208 H C 2.225 177.811 175.328 0.430 0.000 1.087 208 H CA 1.201 57.435 56.048 0.311 0.000 1.291 208 H CB -0.051 29.875 29.762 0.274 0.000 1.369 208 H HN 0.102 nan 8.280 nan 0.000 0.492 209 L N 0.594 122.028 121.223 0.351 0.000 2.051 209 L HA -0.204 4.136 4.340 -0.001 0.000 0.214 209 L C 2.646 179.681 176.870 0.274 0.000 1.076 209 L CA 1.085 56.077 54.840 0.254 0.000 0.758 209 L CB -1.079 41.021 42.059 0.068 0.000 0.890 209 L HN 0.197 nan 8.230 nan 0.000 0.433 210 L N -1.001 120.321 121.223 0.165 0.000 2.191 210 L HA -0.167 4.172 4.340 -0.001 0.000 0.212 210 L C 2.343 179.251 176.870 0.063 0.000 1.103 210 L CA 1.448 56.341 54.840 0.088 0.000 0.769 210 L CB -0.484 41.594 42.059 0.032 0.000 0.908 210 L HN 0.097 nan 8.230 nan 0.000 0.438 211 R N -1.669 118.858 120.500 0.045 0.000 2.307 211 R HA -0.027 4.312 4.340 -0.001 0.000 0.199 211 R C 1.154 177.278 176.300 -0.293 0.000 1.000 211 R CA 0.649 56.624 56.100 -0.208 0.000 1.023 211 R CB -0.269 29.750 30.300 -0.468 0.000 0.908 211 R HN 0.480 nan 8.270 nan 0.000 0.473 212 W N -1.467 119.856 121.300 0.038 0.000 2.862 212 W HA 0.354 5.013 4.660 -0.001 0.000 0.376 212 W C 0.659 177.209 176.519 0.051 0.000 1.028 212 W CA 0.491 57.871 57.345 0.059 0.000 1.757 212 W CB 1.000 30.513 29.460 0.088 0.000 1.128 212 W HN 0.307 nan 8.180 nan 0.000 0.566 213 G N 1.174 110.090 108.800 0.193 0.000 2.611 213 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.208 213 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.208 213 G C 0.308 175.249 174.900 0.070 0.000 1.201 213 G CA -0.299 44.867 45.100 0.110 0.000 0.739 213 G HN 0.000 nan 8.290 nan 0.000 0.528 214 L N 2.672 123.940 121.223 0.075 0.000 2.720 214 L HA 0.248 4.587 4.340 -0.001 0.000 0.289 214 L C 0.750 177.612 176.870 -0.012 0.000 1.232 214 L CA 1.134 55.967 54.840 -0.012 0.000 0.915 214 L CB -0.438 41.610 42.059 -0.019 0.000 1.184 214 L HN 0.466 nan 8.230 nan 0.000 0.491 232 Y N 1.674 121.952 120.300 -0.037 0.000 2.388 232 Y HA 0.717 5.266 4.550 -0.001 0.000 0.328 232 Y C -0.340 175.548 175.900 -0.020 0.000 0.963 232 Y CA -1.726 56.358 58.100 -0.026 0.000 1.240 232 Y CB 1.053 39.489 38.460 -0.039 0.000 1.118 232 Y HN 0.456 nan 8.280 nan 0.000 0.484 233 E N 6.139 126.417 120.200 0.130 0.000 2.129 233 E HA 0.358 4.708 4.350 -0.001 0.000 0.283 233 E C -1.095 175.341 176.600 -0.274 0.000 1.080 233 E CA -0.111 56.222 56.400 -0.111 0.000 0.867 233 E CB 0.636 30.291 29.700 -0.075 0.000 1.056 233 E HN 0.669 nan 8.360 nan 0.000 0.404 234 L N 3.284 124.265 121.223 -0.403 0.000 2.344 234 L HA 0.378 4.717 4.340 -0.001 0.000 0.272 234 L C 0.037 176.571 176.870 -0.559 0.000 1.035 234 L CA -0.702 53.959 54.840 -0.298 0.000 0.807 234 L CB 1.104 43.088 42.059 -0.125 0.000 1.237 234 L HN 0.527 nan 8.230 nan 0.000 0.442 235 H N 1.238 120.238 119.070 -0.117 0.000 2.380 235 H HA 0.190 4.745 4.556 -0.001 0.000 0.231 235 H C -2.039 172.870 175.328 -0.697 0.000 1.415 235 H CA -1.697 54.182 56.048 -0.282 0.000 1.433 235 H CB 0.806 30.500 29.762 -0.112 0.000 1.544 235 H HN 0.378 nan 8.280 nan 0.000 0.503 236 P HA -0.227 nan 4.420 nan 0.000 0.213 236 P C 1.556 178.302 177.300 -0.923 0.000 1.176 236 P CA 1.635 63.557 63.100 -1.964 0.000 0.919 236 P CB 0.303 31.278 31.700 -1.208 0.000 0.791 237 D N 0.481 120.604 120.400 -0.462 0.000 2.239 237 D HA -0.225 4.415 4.640 -0.001 0.000 0.202 237 D C 1.096 177.334 176.300 -0.102 0.000 0.993 237 D CA 1.531 55.405 54.000 -0.210 0.000 0.874 237 D CB -0.995 39.716 40.800 -0.148 0.000 0.922 237 D HN 0.252 nan 8.370 nan 0.000 0.464 238 K N -0.787 119.551 120.400 -0.104 0.000 2.520 238 K HA 0.063 4.382 4.320 -0.001 0.000 0.205 238 K C -0.465 176.275 176.600 0.233 0.000 1.035 238 K CA -0.471 55.842 56.287 0.044 0.000 1.188 238 K CB 0.112 32.635 32.500 0.038 0.000 0.894 238 K HN 0.101 nan 8.250 nan 0.000 0.497 239 W N 2.225 123.546 121.300 0.036 0.000 2.316 239 W HA 0.123 4.783 4.660 -0.001 0.000 0.339 239 W C 0.727 177.268 176.519 0.036 0.000 1.002 239 W CA -1.099 56.272 57.345 0.043 0.000 1.465 239 W CB -0.353 29.123 29.460 0.027 0.000 1.300 239 W HN 0.053 nan 8.180 nan 0.000 0.378 240 T N -1.299 113.397 114.554 0.236 0.000 2.898 240 T HA 0.620 4.970 4.350 -0.001 0.000 0.283 240 T C 1.115 175.885 174.700 0.117 0.000 1.059 240 T CA -0.459 61.731 62.100 0.150 0.000 0.958 240 T CB 0.196 69.131 68.868 0.111 0.000 1.594 240 T HN 0.053 nan 8.240 nan 0.000 0.598 241 V N -0.601 119.372 119.914 0.097 0.000 4.084 241 V HA 0.329 4.448 4.120 -0.001 0.000 0.270 241 V C 0.590 176.729 176.094 0.075 0.000 0.912 241 V CA 0.424 62.778 62.300 0.090 0.000 0.918 241 V CB -0.999 30.878 31.823 0.091 0.000 1.196 241 V HN 1.141 nan 8.190 nan 0.000 0.422 242 Q N -0.538 119.315 119.800 0.090 0.000 3.314 242 Q HA 0.153 4.492 4.340 -0.001 0.000 0.114 242 Q C -2.744 173.348 176.000 0.154 0.000 0.556 242 Q CA -0.364 55.495 55.803 0.092 0.000 1.021 242 Q CB -1.258 27.503 28.738 0.038 0.000 1.468 242 Q HN 0.846 nan 8.270 nan 0.000 0.365 243 P HA 0.123 nan 4.420 nan 0.000 0.269 243 P C 0.131 177.564 177.300 0.222 0.000 1.217 243 P CA -0.152 63.061 63.100 0.187 0.000 0.783 243 P CB 0.708 32.466 31.700 0.096 0.000 0.898 244 I N 0.980 121.718 120.570 0.281 0.000 2.668 244 I HA -0.056 4.113 4.170 -0.001 0.000 0.285 244 I C 0.496 176.717 176.117 0.173 0.000 1.168 244 I CA 0.512 61.986 61.300 0.289 0.000 1.424 244 I CB 0.300 38.500 38.000 0.333 0.000 1.377 244 I HN 0.020 nan 8.210 nan 0.000 0.560 245 V N 8.458 128.471 119.914 0.165 0.000 2.347 245 V HA 0.311 4.430 4.120 -0.001 0.000 0.280 245 V C 0.087 176.250 176.094 0.114 0.000 1.021 245 V CA -0.603 61.767 62.300 0.117 0.000 0.847 245 V CB 1.124 33.008 31.823 0.103 0.000 0.990 245 V HN 0.407 nan 8.190 nan 0.000 0.444 246 L N 8.353 129.636 121.223 0.099 0.000 2.312 246 L HA 0.476 4.816 4.340 -0.001 0.000 0.281 246 L C -1.799 175.151 176.870 0.134 0.000 1.070 246 L CA -1.655 53.256 54.840 0.119 0.000 0.805 246 L CB 0.861 42.978 42.059 0.097 0.000 1.174 246 L HN 0.442 nan 8.230 nan 0.000 0.434 247 P HA 0.098 nan 4.420 nan 0.000 0.268 247 P C -1.224 176.195 177.300 0.199 0.000 1.205 247 P CA -0.317 62.865 63.100 0.137 0.000 0.771 247 P CB 0.642 32.405 31.700 0.105 0.000 0.858 248 E N 2.373 122.630 120.200 0.095 0.000 2.183 248 E HA 0.627 4.977 4.350 -0.001 0.000 0.271 248 E C 0.007 176.591 176.600 -0.027 0.000 0.919 248 E CA -0.887 55.584 56.400 0.119 0.000 0.781 248 E CB 1.932 31.679 29.700 0.077 0.000 1.140 248 E HN 0.457 nan 8.360 nan 0.000 0.402 249 K N 1.150 121.529 120.400 -0.035 0.000 2.615 249 K HA 0.303 4.622 4.320 -0.001 0.000 0.291 249 K C -1.936 174.557 176.600 -0.178 0.000 1.017 249 K CA -0.982 55.136 56.287 -0.281 0.000 0.882 249 K CB 1.486 33.551 32.500 -0.725 0.000 1.522 249 K HN 0.496 nan 8.250 nan 0.000 0.412 250 D N 0.851 121.126 120.400 -0.208 0.000 2.408 250 D HA 0.298 4.937 4.640 -0.001 0.000 0.243 250 D C -0.933 175.281 176.300 -0.144 0.000 1.075 250 D CA -0.228 53.718 54.000 -0.088 0.000 0.832 250 D CB 1.374 42.146 40.800 -0.047 0.000 1.162 250 D HN 0.801 nan 8.370 nan 0.000 0.515 251 S N 1.531 117.206 115.700 -0.041 0.000 3.373 251 S HA -0.138 4.331 4.470 -0.001 0.000 0.728 251 S C -1.138 173.399 174.600 -0.104 0.000 0.612 251 S CA -0.598 57.597 58.200 -0.009 0.000 1.473 251 S CB -1.541 61.639 63.200 -0.034 0.000 0.990 251 S HN 0.513 nan 8.310 nan 0.000 0.936 252 W N 3.094 124.396 121.300 0.003 0.000 2.436 252 W HA 0.711 5.371 4.660 -0.001 0.000 0.347 252 W C 1.015 177.537 176.519 0.004 0.000 1.136 252 W CA -0.266 57.082 57.345 0.004 0.000 1.286 252 W CB 1.545 31.007 29.460 0.004 0.000 1.253 252 W HN 0.611 nan 8.180 nan 0.000 0.617 253 T N 0.374 115.084 114.554 0.260 0.000 2.930 253 T HA 0.216 4.565 4.350 -0.001 0.000 0.290 253 T C 0.910 175.705 174.700 0.159 0.000 1.052 253 T CA -0.677 61.513 62.100 0.150 0.000 1.017 253 T CB 1.642 70.558 68.868 0.081 0.000 1.137 253 T HN 0.200 nan 8.240 nan 0.000 0.511 254 V N 2.437 122.412 119.914 0.101 0.000 2.287 254 V HA -0.188 3.932 4.120 -0.001 0.000 0.248 254 V C 2.637 178.785 176.094 0.089 0.000 1.053 254 V CA 1.877 64.225 62.300 0.080 0.000 1.027 254 V CB -0.644 31.211 31.823 0.053 0.000 0.646 254 V HN 0.809 nan 8.190 nan 0.000 0.447 255 N N 0.840 119.591 118.700 0.085 0.000 2.018 255 N HA -0.231 4.509 4.740 -0.001 0.000 0.196 255 N C 1.509 177.092 175.510 0.121 0.000 1.043 255 N CA 2.308 55.408 53.050 0.084 0.000 0.856 255 N CB -0.263 38.261 38.487 0.062 0.000 1.042 255 N HN 0.555 nan 8.380 nan 0.000 0.423 256 D N 1.047 121.546 120.400 0.166 0.000 2.149 256 D HA -0.133 4.506 4.640 -0.001 0.000 0.198 256 D C 2.066 178.558 176.300 0.320 0.000 0.990 256 D CA 0.707 54.865 54.000 0.262 0.000 0.839 256 D CB -0.424 40.570 40.800 0.324 0.000 0.948 256 D HN 0.466 nan 8.370 nan 0.000 0.460 257 I N 0.647 121.361 120.570 0.241 0.000 2.202 257 I HA -0.234 3.936 4.170 -0.001 0.000 0.242 257 I C 2.389 178.546 176.117 0.068 0.000 1.091 257 I CA 0.993 62.347 61.300 0.091 0.000 1.368 257 I CB -0.671 37.342 38.000 0.023 0.000 1.058 257 I HN 0.029 nan 8.210 nan 0.000 0.410 258 Q N 1.265 121.113 119.800 0.079 0.000 2.077 258 Q HA -0.259 4.081 4.340 -0.001 0.000 0.206 258 Q C 2.265 178.321 176.000 0.093 0.000 0.989 258 Q CA 1.759 57.605 55.803 0.070 0.000 0.853 258 Q CB -0.262 28.518 28.738 0.070 0.000 0.907 258 Q HN 0.496 nan 8.270 nan 0.000 0.418 259 K N 0.514 120.987 120.400 0.121 0.000 2.057 259 K HA -0.091 4.229 4.320 -0.001 0.000 0.207 259 K C 2.155 178.842 176.600 0.143 0.000 1.049 259 K CA 0.770 57.147 56.287 0.149 0.000 0.931 259 K CB -0.185 32.403 32.500 0.147 0.000 0.714 259 K HN 0.184 nan 8.250 nan 0.000 0.440 260 L N 1.200 122.504 121.223 0.135 0.000 2.017 260 L HA -0.149 4.190 4.340 -0.001 0.000 0.208 260 L C 2.331 179.214 176.870 0.020 0.000 1.073 260 L CA 1.744 56.640 54.840 0.094 0.000 0.745 260 L CB -0.442 41.659 42.059 0.071 0.000 0.894 260 L HN 0.139 nan 8.230 nan 0.000 0.432 261 V N -1.690 118.225 119.914 0.000 0.000 2.809 261 V HA -0.019 4.101 4.120 -0.001 0.000 0.256 261 V C 2.209 178.278 176.094 -0.043 0.000 1.080 261 V CA 1.521 63.801 62.300 -0.033 0.000 1.102 261 V CB -0.815 30.985 31.823 -0.037 0.000 0.705 261 V HN 0.445 nan 8.190 nan 0.000 0.475 262 G N 0.164 108.961 108.800 -0.005 0.000 2.395 262 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.214 262 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.214 262 G C 1.572 176.318 174.900 -0.258 0.000 1.177 262 G CA 0.778 45.862 45.100 -0.027 0.000 0.794 262 G HN 0.579 nan 8.290 nan 0.000 0.532 263 K N -0.029 120.278 120.400 -0.155 0.000 2.097 263 K HA 0.129 4.449 4.320 -0.001 0.000 0.205 263 K C 2.406 178.947 176.600 -0.099 0.000 1.050 263 K CA 0.649 56.788 56.287 -0.248 0.000 0.938 263 K CB -0.240 32.310 32.500 0.082 0.000 0.718 263 K HN 0.305 nan 8.250 nan 0.000 0.442 264 L N 1.158 122.338 121.223 -0.072 0.000 2.109 264 L HA -0.157 4.182 4.340 -0.001 0.000 0.207 264 L C 2.550 179.338 176.870 -0.137 0.000 1.086 264 L CA 1.186 55.983 54.840 -0.073 0.000 0.760 264 L CB -0.562 41.457 42.059 -0.066 0.000 0.910 264 L HN 0.448 nan 8.230 nan 0.000 0.437 265 N N -0.174 118.425 118.700 -0.167 0.000 2.084 265 N HA -0.280 4.459 4.740 -0.001 0.000 0.190 265 N C 1.957 177.303 175.510 -0.274 0.000 1.030 265 N CA 1.780 54.714 53.050 -0.193 0.000 0.849 265 N CB -0.216 38.174 38.487 -0.163 0.000 1.012 265 N HN 0.438 nan 8.380 nan 0.000 0.423 266 W N 1.800 122.722 121.300 -0.629 0.000 2.425 266 W HA 0.060 4.719 4.660 -0.001 0.000 0.277 266 W C 2.098 178.342 176.519 -0.459 0.000 1.231 266 W CA 1.282 58.192 57.345 -0.725 0.000 1.248 266 W CB -0.209 28.368 29.460 -1.473 0.000 1.117 266 W HN 0.124 nan 8.180 nan 0.000 0.568 267 A N 0.582 123.075 122.820 -0.545 0.000 2.067 267 A HA -0.035 4.285 4.320 -0.001 0.000 0.219 267 A C 1.692 179.000 177.584 -0.459 0.000 1.158 267 A CA 1.394 53.053 52.037 -0.630 0.000 0.661 267 A CB -0.993 17.916 19.000 -0.151 0.000 0.801 267 A HN 0.256 nan 8.150 nan 0.000 0.452 268 S N -0.961 114.506 115.700 -0.389 0.000 2.602 268 S HA 0.248 4.718 4.470 -0.001 0.000 0.257 268 S C 1.069 175.412 174.600 -0.429 0.000 1.250 268 S CA 0.208 58.230 58.200 -0.296 0.000 0.986 268 S CB 0.040 63.101 63.200 -0.232 0.000 1.040 268 S HN 0.685 nan 8.310 nan 0.000 0.562 269 Q N -0.881 118.717 119.800 -0.337 0.000 1.957 269 Q HA -0.322 4.018 4.340 -0.001 0.000 0.170 269 Q C 1.362 177.142 176.000 -0.367 0.000 2.889 269 Q CA 1.875 57.452 55.803 -0.377 0.000 0.375 269 Q CB -1.885 26.527 28.738 -0.544 0.000 0.375 269 Q HN 0.775 nan 8.270 nan 0.000 0.443 270 I N -2.196 118.092 120.570 -0.469 0.000 2.628 270 I HA 0.087 4.256 4.170 -0.001 0.000 0.255 270 I C 0.435 176.319 176.117 -0.388 0.000 1.119 270 I CA 0.517 61.581 61.300 -0.394 0.000 1.448 270 I CB 0.302 38.062 38.000 -0.401 0.000 1.133 270 I HN 0.187 nan 8.210 nan 0.000 0.438 271 Y N 2.888 123.041 120.300 -0.246 0.000 2.326 271 Y HA 0.447 4.996 4.550 -0.001 0.000 0.337 271 Y C -2.251 173.563 175.900 -0.142 0.000 1.023 271 Y CA -2.616 55.385 58.100 -0.165 0.000 1.143 271 Y CB 1.034 39.393 38.460 -0.169 0.000 1.183 271 Y HN 0.032 nan 8.280 nan 0.000 0.485 272 P HA 0.166 nan 4.420 nan 0.000 0.279 272 P C 0.043 177.356 177.300 0.021 0.000 1.318 272 P CA 0.436 63.560 63.100 0.039 0.000 0.819 272 P CB 0.631 32.371 31.700 0.067 0.000 0.927 273 G N 3.853 112.644 108.800 -0.016 0.000 2.356 273 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.233 273 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.233 273 G C -0.210 174.661 174.900 -0.048 0.000 1.105 273 G CA -0.745 44.337 45.100 -0.030 0.000 0.861 273 G HN 0.411 nan 8.290 nan 0.000 0.493 274 I N 1.040 121.574 120.570 -0.061 0.000 2.315 274 I HA 0.333 4.503 4.170 -0.001 0.000 0.291 274 I C 0.147 176.217 176.117 -0.078 0.000 1.006 274 I CA -0.612 60.642 61.300 -0.077 0.000 1.265 274 I CB 1.226 39.172 38.000 -0.090 0.000 1.387 274 I HN 0.035 nan 8.210 nan 0.000 0.475 275 K N 5.904 126.260 120.400 -0.073 0.000 2.159 275 K HA 0.439 4.759 4.320 -0.001 0.000 0.266 275 K C 0.182 176.737 176.600 -0.075 0.000 0.975 275 K CA -0.711 55.534 56.287 -0.069 0.000 0.865 275 K CB 2.795 35.258 32.500 -0.061 0.000 1.087 275 K HN 0.368 nan 8.250 nan 0.000 0.446 276 V N 2.230 122.101 119.914 -0.073 0.000 3.411 276 V HA 0.009 4.129 4.120 -0.001 0.000 0.287 276 V C 1.935 177.987 176.094 -0.069 0.000 1.543 276 V CA 0.265 62.520 62.300 -0.076 0.000 1.028 276 V CB 0.077 31.854 31.823 -0.076 0.000 0.840 276 V HN 0.722 nan 8.190 nan 0.000 0.435 277 R N 0.241 120.705 120.500 -0.061 0.000 2.115 277 R HA -0.265 4.074 4.340 -0.001 0.000 0.239 277 R C 2.247 178.512 176.300 -0.058 0.000 1.133 277 R CA 2.501 58.569 56.100 -0.053 0.000 0.935 277 R CB -0.346 29.927 30.300 -0.047 0.000 0.853 277 R HN 0.388 nan 8.270 nan 0.000 0.433 278 Q N -0.200 119.561 119.800 -0.064 0.000 1.998 278 Q HA -0.156 4.183 4.340 -0.001 0.000 0.209 278 Q C 1.926 177.875 176.000 -0.085 0.000 1.002 278 Q CA 1.596 57.357 55.803 -0.071 0.000 0.858 278 Q CB -0.566 28.125 28.738 -0.078 0.000 0.932 278 Q HN 0.227 nan 8.270 nan 0.000 0.416 279 L N -0.354 120.806 121.223 -0.106 0.000 2.089 279 L HA -0.275 4.064 4.340 -0.001 0.000 0.213 279 L C 2.497 179.312 176.870 -0.092 0.000 1.079 279 L CA 1.441 56.204 54.840 -0.128 0.000 0.758 279 L CB -1.429 40.543 42.059 -0.144 0.000 0.891 279 L HN 0.441 nan 8.230 nan 0.000 0.433 280 C N 0.230 119.488 119.300 -0.070 0.000 2.453 280 C HA -0.172 4.288 4.460 -0.001 0.000 0.277 280 C C 2.665 177.631 174.990 -0.040 0.000 1.262 280 C CA 0.816 59.805 59.018 -0.049 0.000 1.718 280 C CB -0.539 27.175 27.740 -0.043 0.000 2.031 280 C HN 0.522 nan 8.230 nan 0.000 0.480 281 K N 1.464 121.839 120.400 -0.042 0.000 2.360 281 K HA -0.067 4.253 4.320 -0.001 0.000 0.201 281 K C 1.401 177.982 176.600 -0.032 0.000 1.046 281 K CA 1.160 57.427 56.287 -0.033 0.000 0.945 281 K CB -0.351 32.130 32.500 -0.033 0.000 0.750 281 K HN 0.529 nan 8.250 nan 0.000 0.464 282 L N 0.310 121.508 121.223 -0.042 0.000 2.201 282 L HA -0.014 4.325 4.340 -0.001 0.000 0.212 282 L C 0.953 177.810 176.870 -0.021 0.000 1.105 282 L CA 0.592 55.410 54.840 -0.037 0.000 0.775 282 L CB -0.620 41.403 42.059 -0.059 0.000 0.913 282 L HN 0.099 nan 8.230 nan 0.000 0.440 283 L N 2.290 123.501 121.223 -0.021 0.000 2.389 283 L HA 0.308 4.648 4.340 -0.001 0.000 0.265 283 L C -0.132 176.734 176.870 -0.006 0.000 1.167 283 L CA 0.159 54.994 54.840 -0.007 0.000 1.045 283 L CB -0.091 41.965 42.059 -0.006 0.000 1.351 283 L HN 0.201 nan 8.230 nan 0.000 0.419 284 R N 1.652 122.149 120.500 -0.004 0.000 2.513 284 R HA 0.696 5.036 4.340 -0.001 0.000 0.301 284 R C 0.158 176.458 176.300 0.000 0.000 0.968 284 R CA -0.308 55.789 56.100 -0.004 0.000 0.872 284 R CB 2.241 32.536 30.300 -0.007 0.000 1.177 284 R HN 0.624 nan 8.270 nan 0.000 0.444 285 G N 0.865 109.666 108.800 0.001 0.000 2.548 285 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.208 285 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.208 285 G C -0.606 174.298 174.900 0.006 0.000 1.308 285 G CA -0.226 44.876 45.100 0.003 0.000 0.924 285 G HN 0.577 nan 8.290 nan 0.000 0.540 286 T N 0.070 114.629 114.554 0.007 0.000 3.155 286 T HA 0.616 4.965 4.350 -0.001 0.000 0.384 286 T C 0.177 174.884 174.700 0.011 0.000 1.351 286 T CA -0.058 62.048 62.100 0.010 0.000 1.198 286 T CB 0.177 69.050 68.868 0.009 0.000 1.106 286 T HN 0.743 nan 8.240 nan 0.000 0.564 287 K N 2.363 122.771 120.400 0.014 0.000 2.090 287 K HA 0.768 5.087 4.320 -0.001 0.000 0.249 287 K C 0.577 177.188 176.600 0.018 0.000 0.995 287 K CA -0.986 55.310 56.287 0.016 0.000 0.914 287 K CB 1.115 33.626 32.500 0.018 0.000 1.057 287 K HN 0.575 nan 8.250 nan 0.000 0.462 288 A N 1.140 123.971 122.820 0.018 0.000 2.386 288 A HA 0.128 4.447 4.320 -0.001 0.000 0.246 288 A C 1.282 178.881 177.584 0.025 0.000 1.089 288 A CA -0.195 51.853 52.037 0.019 0.000 0.790 288 A CB -0.080 18.930 19.000 0.017 0.000 1.042 288 A HN 0.757 nan 8.150 nan 0.000 0.497 289 L N 0.205 121.443 121.223 0.025 0.000 2.095 289 L HA -0.092 4.247 4.340 -0.001 0.000 0.204 289 L C 2.880 179.770 176.870 0.034 0.000 1.080 289 L CA 1.741 56.600 54.840 0.031 0.000 0.759 289 L CB -0.722 41.353 42.059 0.028 0.000 0.914 289 L HN 1.008 nan 8.230 nan 0.000 0.439 290 T N -2.836 111.733 114.554 0.025 0.000 2.833 290 T HA -0.213 4.137 4.350 -0.001 0.000 0.269 290 T C 0.898 175.615 174.700 0.028 0.000 1.054 290 T CA 0.229 62.343 62.100 0.023 0.000 1.135 290 T CB -0.454 68.422 68.868 0.014 0.000 0.869 290 T HN 0.274 nan 8.240 nan 0.000 0.466 291 E N 1.558 121.776 120.200 0.030 0.000 2.652 291 E HA 0.115 4.465 4.350 -0.001 0.000 0.255 291 E C -0.620 176.008 176.600 0.047 0.000 0.952 291 E CA -0.325 56.095 56.400 0.032 0.000 0.947 291 E CB 0.430 30.148 29.700 0.029 0.000 0.912 291 E HN 0.273 nan 8.360 nan 0.000 0.489 292 V N 6.111 126.053 119.914 0.047 0.000 2.607 292 V HA 0.315 4.435 4.120 -0.001 0.000 0.289 292 V C 0.364 176.502 176.094 0.073 0.000 1.053 292 V CA -0.363 61.977 62.300 0.067 0.000 0.996 292 V CB 0.789 32.644 31.823 0.054 0.000 0.995 292 V HN 0.593 nan 8.190 nan 0.000 0.476 293 I N 3.309 123.942 120.570 0.105 0.000 2.569 293 I HA 0.707 4.876 4.170 -0.001 0.000 0.290 293 I C -2.685 173.490 176.117 0.097 0.000 1.088 293 I CA -2.228 59.121 61.300 0.082 0.000 1.047 293 I CB 2.490 40.522 38.000 0.054 0.000 1.237 293 I HN 0.478 nan 8.210 nan 0.000 0.421 294 P HA 0.126 nan 4.420 nan 0.000 0.271 294 P C -0.945 176.361 177.300 0.010 0.000 1.220 294 P CA -0.233 62.900 63.100 0.054 0.000 0.768 294 P CB 1.121 32.841 31.700 0.033 0.000 0.848 295 L N 4.747 125.968 121.223 -0.004 0.000 2.278 295 L HA 0.197 4.537 4.340 -0.001 0.000 0.287 295 L C 0.867 177.702 176.870 -0.058 0.000 1.072 295 L CA 0.146 54.933 54.840 -0.089 0.000 0.819 295 L CB 0.083 42.037 42.059 -0.176 0.000 1.176 295 L HN 0.486 nan 8.230 nan 0.000 0.435 296 T N 0.469 114.984 114.554 -0.066 0.000 2.888 296 T HA 0.070 4.419 4.350 -0.001 0.000 0.301 296 T C 1.151 175.818 174.700 -0.055 0.000 1.001 296 T CA -0.472 61.599 62.100 -0.048 0.000 1.147 296 T CB 0.685 69.524 68.868 -0.047 0.000 0.931 296 T HN 0.565 nan 8.240 nan 0.000 0.541 297 E N 1.870 122.048 120.200 -0.036 0.000 2.114 297 E HA -0.210 4.140 4.350 -0.001 0.000 0.199 297 E C 1.892 178.466 176.600 -0.043 0.000 1.008 297 E CA 1.973 58.353 56.400 -0.034 0.000 0.810 297 E CB -0.195 29.494 29.700 -0.020 0.000 0.739 297 E HN 0.923 nan 8.360 nan 0.000 0.456 298 E N 0.160 120.334 120.200 -0.043 0.000 2.118 298 E HA -0.211 4.139 4.350 -0.001 0.000 0.195 298 E C 1.941 178.503 176.600 -0.063 0.000 0.992 298 E CA 1.265 57.637 56.400 -0.047 0.000 0.804 298 E CB -0.730 28.945 29.700 -0.043 0.000 0.741 298 E HN 0.328 nan 8.360 nan 0.000 0.458 299 A N 1.130 123.902 122.820 -0.080 0.000 1.908 299 A HA -0.279 4.040 4.320 -0.001 0.000 0.218 299 A C 2.075 179.590 177.584 -0.115 0.000 1.181 299 A CA 1.893 53.863 52.037 -0.112 0.000 0.627 299 A CB -0.631 18.280 19.000 -0.149 0.000 0.818 299 A HN 0.223 nan 8.150 nan 0.000 0.445 300 E N -0.163 119.980 120.200 -0.096 0.000 2.153 300 E HA -0.110 4.239 4.350 -0.001 0.000 0.194 300 E C 1.889 178.456 176.600 -0.055 0.000 0.988 300 E CA 0.688 57.044 56.400 -0.072 0.000 0.811 300 E CB -0.159 29.516 29.700 -0.041 0.000 0.746 300 E HN 0.510 nan 8.360 nan 0.000 0.466 301 L N 0.489 121.681 121.223 -0.052 0.000 2.046 301 L HA -0.196 4.144 4.340 -0.001 0.000 0.208 301 L C 2.228 179.067 176.870 -0.053 0.000 1.077 301 L CA 1.686 56.499 54.840 -0.045 0.000 0.747 301 L CB -0.749 41.285 42.059 -0.041 0.000 0.896 301 L HN 0.261 nan 8.230 nan 0.000 0.432 302 E N -0.057 120.103 120.200 -0.066 0.000 2.028 302 E HA -0.173 4.176 4.350 -0.001 0.000 0.191 302 E C 2.423 178.978 176.600 -0.074 0.000 0.988 302 E CA 0.719 57.075 56.400 -0.073 0.000 0.799 302 E CB 0.049 29.698 29.700 -0.085 0.000 0.755 302 E HN 0.335 nan 8.360 nan 0.000 0.447 303 L N 0.431 121.605 121.223 -0.082 0.000 2.043 303 L HA -0.246 4.094 4.340 -0.001 0.000 0.212 303 L C 2.559 179.403 176.870 -0.044 0.000 1.075 303 L CA 1.364 56.164 54.840 -0.066 0.000 0.752 303 L CB -0.948 41.071 42.059 -0.067 0.000 0.891 303 L HN 0.213 nan 8.230 nan 0.000 0.432 304 A N -0.191 122.604 122.820 -0.041 0.000 1.845 304 A HA -0.223 4.097 4.320 -0.001 0.000 0.215 304 A C 2.252 179.809 177.584 -0.044 0.000 1.195 304 A CA 1.603 53.620 52.037 -0.033 0.000 0.616 304 A CB -0.590 18.393 19.000 -0.029 0.000 0.832 304 A HN 0.384 nan 8.150 nan 0.000 0.443 305 E N -0.293 119.876 120.200 -0.051 0.000 2.118 305 E HA -0.207 4.143 4.350 -0.001 0.000 0.195 305 E C 1.936 178.490 176.600 -0.076 0.000 0.992 305 E CA 1.468 57.833 56.400 -0.058 0.000 0.804 305 E CB -0.240 29.427 29.700 -0.055 0.000 0.741 305 E HN 0.756 nan 8.360 nan 0.000 0.458 306 N N -0.068 118.584 118.700 -0.079 0.000 2.080 306 N HA -0.099 4.640 4.740 -0.001 0.000 0.189 306 N C 1.972 177.416 175.510 -0.111 0.000 1.036 306 N CA 0.577 53.566 53.050 -0.101 0.000 0.846 306 N CB 0.002 38.438 38.487 -0.086 0.000 1.015 306 N HN 0.003 nan 8.380 nan 0.000 0.423 307 R N 1.131 121.588 120.500 -0.072 0.000 2.096 307 R HA -0.156 4.183 4.340 -0.001 0.000 0.240 307 R C 2.133 178.388 176.300 -0.075 0.000 1.139 307 R CA 1.186 57.253 56.100 -0.056 0.000 0.952 307 R CB -0.278 30.010 30.300 -0.021 0.000 0.854 307 R HN 0.377 nan 8.270 nan 0.000 0.436 308 E N 0.890 121.049 120.200 -0.069 0.000 2.051 308 E HA -0.196 4.153 4.350 -0.001 0.000 0.192 308 E C 2.057 178.594 176.600 -0.105 0.000 0.991 308 E CA 1.160 57.520 56.400 -0.068 0.000 0.799 308 E CB -0.061 29.607 29.700 -0.053 0.000 0.748 308 E HN 0.316 nan 8.360 nan 0.000 0.449 309 I N 0.685 121.173 120.570 -0.137 0.000 2.163 309 I HA -0.299 3.871 4.170 -0.001 0.000 0.243 309 I C 2.310 178.208 176.117 -0.364 0.000 1.085 309 I CA 0.625 61.805 61.300 -0.199 0.000 1.347 309 I CB -0.146 37.742 38.000 -0.187 0.000 1.044 309 I HN 0.194 nan 8.210 nan 0.000 0.408 310 L N 1.021 122.007 121.223 -0.395 0.000 2.191 310 L HA -0.189 4.150 4.340 -0.001 0.000 0.212 310 L C 2.258 178.957 176.870 -0.285 0.000 1.103 310 L CA 1.685 56.206 54.840 -0.532 0.000 0.769 310 L CB -1.078 40.812 42.059 -0.282 0.000 0.908 310 L HN 0.341 nan 8.230 nan 0.000 0.438 311 K N -1.081 119.228 120.400 -0.152 0.000 2.551 311 K HA -0.012 4.308 4.320 -0.001 0.000 0.192 311 K C 0.228 176.811 176.600 -0.029 0.000 1.027 311 K CA 0.329 56.583 56.287 -0.056 0.000 1.059 311 K CB 0.346 32.827 32.500 -0.032 0.000 0.831 311 K HN 0.112 nan 8.250 nan 0.000 0.508 312 E N 1.041 121.208 120.200 -0.055 0.000 2.334 312 E HA 0.416 4.765 4.350 -0.001 0.000 0.256 312 E C -2.312 174.349 176.600 0.101 0.000 0.958 312 E CA -2.445 53.961 56.400 0.010 0.000 0.821 312 E CB 1.005 30.697 29.700 -0.013 0.000 1.269 312 E HN -0.038 nan 8.360 nan 0.000 0.413 313 P HA 0.098 nan 4.420 nan 0.000 0.312 313 P C 0.761 178.213 177.300 0.254 0.000 1.307 313 P CA -0.205 62.994 63.100 0.165 0.000 0.738 313 P CB 0.432 32.194 31.700 0.104 0.000 1.422 314 V N -3.391 116.625 119.914 0.169 0.000 2.672 314 V HA 0.122 4.241 4.120 -0.001 0.000 0.242 314 V C 0.069 176.259 176.094 0.161 0.000 1.059 314 V CA 0.730 63.116 62.300 0.144 0.000 1.081 314 V CB -1.514 30.277 31.823 -0.053 0.000 0.752 314 V HN 0.667 nan 8.190 nan 0.000 0.472 315 H N 0.226 119.265 119.070 -0.053 0.000 4.244 315 H HA 0.140 4.695 4.556 -0.001 0.000 0.306 315 H C 0.730 175.997 175.328 -0.102 0.000 0.739 315 H CA 0.387 56.396 56.048 -0.065 0.000 0.869 315 H CB -1.112 28.654 29.762 0.006 0.000 1.228 315 H HN 0.925 nan 8.280 nan 0.000 0.328 316 G N 1.945 110.511 108.800 -0.391 0.000 2.213 316 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.226 316 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.226 316 G C -0.044 174.665 174.900 -0.319 0.000 0.992 316 G CA -0.006 44.911 45.100 -0.306 0.000 0.632 316 G HN 1.081 nan 8.290 nan 0.000 0.511 317 V N 1.667 121.288 119.914 -0.488 0.000 2.333 317 V HA 0.690 4.810 4.120 -0.001 0.000 0.274 317 V C -0.253 175.514 176.094 -0.545 0.000 1.028 317 V CA -0.521 61.569 62.300 -0.351 0.000 0.851 317 V CB 0.377 32.096 31.823 -0.174 0.000 1.000 317 V HN 0.287 nan 8.190 nan 0.000 0.456 318 Y N 2.915 123.247 120.300 0.052 0.000 2.545 318 Y HA 0.495 5.045 4.550 -0.001 0.000 0.348 318 Y C -0.372 175.581 175.900 0.089 0.000 1.002 318 Y CA -1.159 56.995 58.100 0.091 0.000 1.039 318 Y CB 1.805 40.302 38.460 0.062 0.000 1.271 318 Y HN 0.612 nan 8.280 nan 0.000 0.467 319 Y N 2.380 122.783 120.300 0.171 0.000 2.377 319 Y HA 0.288 4.837 4.550 -0.001 0.000 0.330 319 Y C -0.549 175.362 175.900 0.018 0.000 1.108 319 Y CA -0.682 57.424 58.100 0.010 0.000 1.308 319 Y CB 0.696 39.150 38.460 -0.009 0.000 1.216 319 Y HN 0.581 nan 8.280 nan 0.000 0.518 320 D N 8.664 128.661 120.400 -0.672 0.000 2.460 320 D HA 0.334 4.974 4.640 -0.001 0.000 0.232 320 D C -2.205 173.559 176.300 -0.893 0.000 1.079 320 D CA -2.780 50.864 54.000 -0.593 0.000 0.864 320 D CB 1.805 42.440 40.800 -0.276 0.000 1.048 320 D HN 0.319 nan 8.370 nan 0.000 0.523 321 P HA -0.179 nan 4.420 nan 0.000 0.218 321 P C 1.049 178.212 177.300 -0.229 0.000 1.146 321 P CA 1.152 63.955 63.100 -0.495 0.000 0.820 321 P CB 0.122 31.718 31.700 -0.174 0.000 0.778 322 S N -2.761 112.809 115.700 -0.216 0.000 2.603 322 S HA 0.087 4.556 4.470 -0.001 0.000 0.220 322 S C 0.691 175.219 174.600 -0.120 0.000 0.967 322 S CA 0.002 58.126 58.200 -0.126 0.000 0.920 322 S CB -0.560 62.577 63.200 -0.105 0.000 0.773 322 S HN 0.030 nan 8.310 nan 0.000 0.529 323 K N 1.565 121.863 120.400 -0.171 0.000 2.259 323 K HA 0.367 4.687 4.320 -0.001 0.000 0.252 323 K C -1.213 175.328 176.600 -0.099 0.000 0.936 323 K CA -0.769 55.440 56.287 -0.130 0.000 0.810 323 K CB 1.155 33.565 32.500 -0.151 0.000 1.143 323 K HN 0.180 nan 8.250 nan 0.000 0.427 324 D N 1.928 122.283 120.400 -0.074 0.000 2.382 324 D HA 0.130 4.770 4.640 -0.001 0.000 0.240 324 D C 0.063 176.281 176.300 -0.136 0.000 1.146 324 D CA 0.148 54.102 54.000 -0.076 0.000 0.897 324 D CB 0.834 41.592 40.800 -0.070 0.000 1.197 324 D HN 0.197 nan 8.370 nan 0.000 0.432 325 L N 1.715 122.827 121.223 -0.185 0.000 2.343 325 L HA 0.481 4.821 4.340 -0.001 0.000 0.275 325 L C 0.001 176.626 176.870 -0.407 0.000 1.056 325 L CA -0.621 54.024 54.840 -0.325 0.000 0.804 325 L CB 1.047 42.874 42.059 -0.386 0.000 1.203 325 L HN 0.170 nan 8.230 nan 0.000 0.440 326 I N 1.895 122.113 120.570 -0.586 0.000 2.608 326 I HA 0.652 4.821 4.170 -0.001 0.000 0.295 326 I C -0.478 175.133 176.117 -0.843 0.000 1.049 326 I CA -0.493 60.369 61.300 -0.729 0.000 1.063 326 I CB 2.167 39.690 38.000 -0.795 0.000 1.248 326 I HN 0.578 nan 8.210 nan 0.000 0.424 327 A N 5.111 127.512 122.820 -0.699 0.000 2.353 327 A HA 0.664 4.984 4.320 -0.001 0.000 0.299 327 A C -0.835 176.599 177.584 -0.251 0.000 1.089 327 A CA -0.557 51.164 52.037 -0.525 0.000 0.736 327 A CB 0.964 19.475 19.000 -0.816 0.000 1.195 327 A HN 0.697 nan 8.150 nan 0.000 0.447 328 E N 1.722 121.888 120.200 -0.056 0.000 2.191 328 E HA 0.624 4.974 4.350 -0.001 0.000 0.274 328 E C -1.097 175.582 176.600 0.132 0.000 0.948 328 E CA -0.465 55.971 56.400 0.060 0.000 0.802 328 E CB 2.168 31.944 29.700 0.126 0.000 1.137 328 E HN 0.616 nan 8.360 nan 0.000 0.397 329 I N 2.040 122.698 120.570 0.147 0.000 2.582 329 I HA 0.214 4.383 4.170 -0.001 0.000 0.292 329 I C -0.869 175.378 176.117 0.218 0.000 1.066 329 I CA -0.823 60.608 61.300 0.217 0.000 1.053 329 I CB 2.016 40.132 38.000 0.193 0.000 1.241 329 I HN 0.305 nan 8.210 nan 0.000 0.421 330 Q N 4.606 124.557 119.800 0.252 0.000 2.340 330 Q HA 0.352 4.692 4.340 -0.001 0.000 0.268 330 Q C -0.709 175.386 176.000 0.158 0.000 1.031 330 Q CA -0.790 55.116 55.803 0.172 0.000 0.804 330 Q CB 2.591 31.390 28.738 0.101 0.000 1.286 330 Q HN 0.318 nan 8.270 nan 0.000 0.448 331 K N 2.567 122.960 120.400 -0.012 0.000 2.310 331 K HA 0.064 4.384 4.320 -0.001 0.000 0.290 331 K C 0.014 176.388 176.600 -0.378 0.000 1.077 331 K CA 0.012 55.995 56.287 -0.507 0.000 0.922 331 K CB 0.656 32.833 32.500 -0.539 0.000 1.057 331 K HN 0.620 nan 8.250 nan 0.000 0.479 332 Q N 2.382 121.939 119.800 -0.406 0.000 2.134 332 Q HA 0.150 4.489 4.340 -0.001 0.000 0.195 332 Q C 0.723 176.573 176.000 -0.249 0.000 0.958 332 Q CA 1.032 56.696 55.803 -0.232 0.000 0.840 332 Q CB 0.398 29.057 28.738 -0.131 0.000 0.918 332 Q HN 0.946 nan 8.270 nan 0.000 0.467 333 G N -0.093 108.502 108.800 -0.341 0.000 2.334 333 G HA2 0.026 3.985 3.960 -0.001 0.000 0.566 333 G HA3 0.026 3.985 3.960 -0.001 0.000 0.566 333 G C -1.372 173.414 174.900 -0.190 0.000 1.413 333 G CA -0.496 44.454 45.100 -0.250 0.000 0.993 333 G HN 0.120 nan 8.290 nan 0.000 0.642 334 Q N -1.390 118.332 119.800 -0.129 0.000 2.435 334 Q HA 0.010 4.350 4.340 -0.001 0.000 0.312 334 Q C 1.628 177.599 176.000 -0.048 0.000 1.333 334 Q CA 2.583 58.343 55.803 -0.071 0.000 0.883 334 Q CB -1.522 27.183 28.738 -0.054 0.000 1.170 334 Q HN 2.808 nan 8.270 nan 0.000 0.443 335 G N -1.202 107.576 108.800 -0.037 0.000 2.155 335 G HA2 -0.362 3.597 3.960 -0.001 0.000 0.257 335 G HA3 -0.362 3.597 3.960 -0.001 0.000 0.257 335 G C -0.136 174.852 174.900 0.148 0.000 0.983 335 G CA 0.583 45.747 45.100 0.106 0.000 0.676 335 G HN 0.455 nan 8.290 nan 0.000 0.528 336 Q N -1.468 118.287 119.800 -0.075 0.000 2.274 336 Q HA 0.730 5.069 4.340 -0.001 0.000 0.260 336 Q C -0.702 175.184 176.000 -0.191 0.000 0.974 336 Q CA -0.642 55.169 55.803 0.013 0.000 0.876 336 Q CB 1.384 30.112 28.738 -0.017 0.000 1.297 336 Q HN 0.407 nan 8.270 nan 0.000 0.446 337 W N 0.371 121.769 121.300 0.163 0.000 3.138 337 W HA 0.526 5.186 4.660 -0.001 0.000 0.331 337 W C -0.680 175.953 176.519 0.191 0.000 1.166 337 W CA -0.705 56.745 57.345 0.174 0.000 1.212 337 W CB 1.540 31.128 29.460 0.213 0.000 1.399 337 W HN 0.574 nan 8.180 nan 0.000 0.514 338 T N -0.411 114.353 114.554 0.349 0.000 2.940 338 T HA 0.863 5.212 4.350 -0.001 0.000 0.288 338 T C -1.216 173.634 174.700 0.250 0.000 1.033 338 T CA -0.751 61.472 62.100 0.204 0.000 1.033 338 T CB 1.998 70.924 68.868 0.098 0.000 1.079 338 T HN 0.566 nan 8.240 nan 0.000 0.496 339 Y N -1.159 119.161 120.300 0.032 0.000 2.558 339 Y HA 0.723 5.273 4.550 -0.001 0.000 0.333 339 Y C -1.801 174.056 175.900 -0.071 0.000 1.125 339 Y CA -1.386 56.713 58.100 -0.002 0.000 1.039 339 Y CB 1.195 39.693 38.460 0.063 0.000 1.331 339 Y HN 0.644 nan 8.280 nan 0.000 0.456 340 Q N 3.206 123.055 119.800 0.082 0.000 2.372 340 Q HA 0.728 5.068 4.340 -0.001 0.000 0.273 340 Q C -1.413 174.648 176.000 0.102 0.000 1.078 340 Q CA -0.679 55.145 55.803 0.035 0.000 0.806 340 Q CB 3.326 32.041 28.738 -0.038 0.000 1.332 340 Q HN 0.754 nan 8.270 nan 0.000 0.435 341 I N 3.195 123.819 120.570 0.090 0.000 2.406 341 I HA 0.591 4.761 4.170 -0.001 0.000 0.290 341 I C -1.064 175.003 176.117 -0.083 0.000 0.999 341 I CA -1.005 60.236 61.300 -0.099 0.000 1.124 341 I CB 0.731 38.737 38.000 0.012 0.000 1.289 341 I HN 0.712 nan 8.210 nan 0.000 0.441 342 Y N 3.082 123.273 120.300 -0.181 0.000 2.725 342 Y HA 0.448 4.998 4.550 -0.001 0.000 0.333 342 Y C -0.257 175.528 175.900 -0.191 0.000 1.242 342 Y CA -0.888 57.109 58.100 -0.171 0.000 1.059 342 Y CB 1.141 39.529 38.460 -0.120 0.000 1.306 342 Y HN 0.428 nan 8.280 nan 0.000 0.454 343 Q N -0.354 119.509 119.800 0.105 0.000 2.431 343 Q HA 0.246 4.586 4.340 -0.001 0.000 0.244 343 Q C -0.691 175.409 176.000 0.168 0.000 0.880 343 Q CA 0.163 55.979 55.803 0.022 0.000 0.954 343 Q CB 1.181 29.884 28.738 -0.058 0.000 1.105 343 Q HN 0.541 nan 8.270 nan 0.000 0.558 344 E N 1.989 122.299 120.200 0.184 0.000 2.165 344 E HA 0.305 4.654 4.350 -0.001 0.000 0.266 344 E C -2.626 173.922 176.600 -0.086 0.000 0.889 344 E CA -2.478 53.965 56.400 0.073 0.000 0.756 344 E CB 1.573 31.283 29.700 0.016 0.000 1.131 344 E HN -0.055 nan 8.360 nan 0.000 0.411 345 P HA -0.091 nan 4.420 nan 0.000 0.257 345 P C -0.180 176.887 177.300 -0.388 0.000 1.162 345 P CA 0.723 63.441 63.100 -0.638 0.000 0.762 345 P CB -0.151 31.376 31.700 -0.289 0.000 0.753 346 F N 0.056 119.695 119.950 -0.518 0.000 2.502 346 F HA -0.243 4.284 4.527 -0.001 0.000 0.480 346 F C 0.788 176.432 175.800 -0.259 0.000 0.543 346 F CA 0.838 58.654 58.000 -0.307 0.000 1.350 346 F CB -1.365 37.487 39.000 -0.245 0.000 1.999 346 F HN 0.259 nan 8.300 nan 0.000 0.267 347 K N 1.828 122.174 120.400 -0.089 0.000 2.333 347 K HA 0.210 4.530 4.320 -0.001 0.000 0.241 347 K C -0.319 176.281 176.600 0.001 0.000 1.193 347 K CA -0.197 56.059 56.287 -0.052 0.000 1.142 347 K CB -0.050 32.431 32.500 -0.032 0.000 1.731 347 K HN 0.061 nan 8.250 nan 0.000 0.344 348 N N 2.116 120.812 118.700 -0.007 0.000 2.452 348 N HA -0.032 4.708 4.740 -0.001 0.000 0.266 348 N C 0.569 176.119 175.510 0.066 0.000 1.209 348 N CA -0.029 53.063 53.050 0.070 0.000 0.929 348 N CB 0.850 39.371 38.487 0.057 0.000 1.063 348 N HN 0.207 nan 8.380 nan 0.000 0.472 349 L N 2.206 123.486 121.223 0.095 0.000 2.270 349 L HA 0.169 4.508 4.340 -0.001 0.000 0.210 349 L C 0.779 177.808 176.870 0.265 0.000 1.104 349 L CA 1.304 56.233 54.840 0.148 0.000 0.804 349 L CB -0.375 41.699 42.059 0.026 0.000 0.937 349 L HN 0.599 nan 8.230 nan 0.000 0.450 350 K N -1.292 119.246 120.400 0.230 0.000 2.589 350 K HA 0.418 4.737 4.320 -0.001 0.000 0.265 350 K C -1.305 175.364 176.600 0.116 0.000 0.935 350 K CA -0.273 56.145 56.287 0.219 0.000 0.850 350 K CB 1.505 34.208 32.500 0.339 0.000 1.372 350 K HN -0.065 nan 8.250 nan 0.000 0.420 351 T N -0.216 114.341 114.554 0.004 0.000 2.900 351 T HA 0.879 5.228 4.350 -0.001 0.000 0.303 351 T C -0.214 174.270 174.700 -0.360 0.000 1.142 351 T CA -0.076 61.901 62.100 -0.206 0.000 1.007 351 T CB 1.918 70.726 68.868 -0.100 0.000 1.156 351 T HN 0.825 nan 8.240 nan 0.000 0.490 352 G N 0.883 109.192 108.800 -0.818 0.000 2.578 352 G HA2 0.685 4.645 3.960 -0.001 0.000 0.302 352 G HA3 0.685 4.645 3.960 -0.001 0.000 0.302 352 G C -1.913 172.684 174.900 -0.504 0.000 1.243 352 G CA -0.780 43.962 45.100 -0.597 0.000 0.843 352 G HN 0.983 nan 8.290 nan 0.000 0.486 353 K N -1.059 119.285 120.400 -0.093 0.000 2.535 353 K HA 0.563 4.883 4.320 -0.001 0.000 0.251 353 K C -2.345 174.451 176.600 0.326 0.000 0.942 353 K CA -0.876 55.504 56.287 0.155 0.000 0.798 353 K CB 2.449 35.010 32.500 0.101 0.000 1.267 353 K HN 0.641 nan 8.250 nan 0.000 0.434 354 Y N 2.474 122.968 120.300 0.323 0.000 2.331 354 Y HA 0.634 5.184 4.550 -0.001 0.000 0.338 354 Y C -1.408 174.648 175.900 0.259 0.000 0.992 354 Y CA -0.381 57.860 58.100 0.235 0.000 1.121 354 Y CB 1.788 40.336 38.460 0.146 0.000 1.184 354 Y HN 0.780 nan 8.280 nan 0.000 0.469 355 A N 7.628 130.152 122.820 -0.493 0.000 2.330 355 A HA 0.601 4.921 4.320 -0.001 0.000 0.313 355 A C -0.476 176.772 177.584 -0.561 0.000 1.124 355 A CA -1.105 50.760 52.037 -0.286 0.000 0.774 355 A CB 0.652 19.583 19.000 -0.115 0.000 1.198 355 A HN 1.033 nan 8.150 nan 0.000 0.465 362 T N 1.991 116.483 114.554 -0.103 0.000 2.824 362 T HA 0.398 4.748 4.350 -0.001 0.000 0.282 362 T C 0.408 175.076 174.700 -0.053 0.000 0.993 362 T CA -0.793 61.234 62.100 -0.121 0.000 0.967 362 T CB 1.992 70.794 68.868 -0.110 0.000 0.960 362 T HN 0.685 nan 8.240 nan 0.000 0.441 363 N N 0.760 119.400 118.700 -0.100 0.000 2.502 363 N HA 0.401 5.141 4.740 -0.001 0.000 0.280 363 N C 0.250 175.754 175.510 -0.009 0.000 1.223 363 N CA -0.847 52.167 53.050 -0.060 0.000 0.966 363 N CB 0.659 39.082 38.487 -0.107 0.000 1.203 363 N HN 0.190 nan 8.380 nan 0.000 0.565 364 D N -0.391 120.054 120.400 0.075 0.000 2.116 364 D HA -0.146 4.493 4.640 -0.001 0.000 0.193 364 D C 1.779 178.163 176.300 0.140 0.000 0.998 364 D CA 1.253 55.396 54.000 0.238 0.000 0.836 364 D CB -0.329 40.611 40.800 0.233 0.000 0.951 364 D HN 0.382 nan 8.370 nan 0.000 0.449 365 V N 0.677 120.610 119.914 0.032 0.000 2.307 365 V HA -0.224 3.896 4.120 -0.001 0.000 0.245 365 V C 2.409 178.384 176.094 -0.199 0.000 1.045 365 V CA 1.756 64.089 62.300 0.055 0.000 1.024 365 V CB -0.584 31.334 31.823 0.159 0.000 0.651 365 V HN 0.141 nan 8.190 nan 0.000 0.449 366 K N 0.272 120.283 120.400 -0.648 0.000 2.020 366 K HA -0.295 4.025 4.320 -0.001 0.000 0.212 366 K C 2.293 178.622 176.600 -0.453 0.000 1.050 366 K CA 2.198 57.866 56.287 -1.032 0.000 0.929 366 K CB -0.302 31.606 32.500 -0.986 0.000 0.714 366 K HN 0.500 nan 8.250 nan 0.000 0.443 367 Q N -0.016 119.608 119.800 -0.293 0.000 2.061 367 Q HA -0.177 4.163 4.340 -0.001 0.000 0.204 367 Q C 2.184 177.774 176.000 -0.684 0.000 0.984 367 Q CA 1.719 57.361 55.803 -0.268 0.000 0.846 367 Q CB -0.196 28.596 28.738 0.090 0.000 0.902 367 Q HN 0.345 nan 8.270 nan 0.000 0.421 368 L N 0.158 120.945 121.223 -0.726 0.000 2.083 368 L HA -0.149 4.190 4.340 -0.001 0.000 0.209 368 L C 2.066 178.709 176.870 -0.379 0.000 1.083 368 L CA 1.877 56.202 54.840 -0.858 0.000 0.752 368 L CB -0.725 40.996 42.059 -0.562 0.000 0.899 368 L HN 0.106 nan 8.230 nan 0.000 0.433 369 T N -0.105 114.422 114.554 -0.045 0.000 2.684 369 T HA -0.192 4.158 4.350 -0.001 0.000 0.267 369 T C 1.629 176.250 174.700 -0.132 0.000 1.036 369 T CA 1.879 64.093 62.100 0.190 0.000 1.148 369 T CB -0.256 68.759 68.868 0.245 0.000 0.863 369 T HN 0.525 nan 8.240 nan 0.000 0.436 370 E N 1.085 121.085 120.200 -0.333 0.000 2.160 370 E HA -0.089 4.261 4.350 -0.001 0.000 0.195 370 E C 2.464 178.642 176.600 -0.704 0.000 0.991 370 E CA 0.972 57.101 56.400 -0.451 0.000 0.810 370 E CB -0.194 29.275 29.700 -0.386 0.000 0.742 370 E HN 0.506 nan 8.360 nan 0.000 0.466 371 A N 1.168 123.416 122.820 -0.955 0.000 1.872 371 A HA -0.082 4.237 4.320 -0.001 0.000 0.214 371 A C 2.551 179.846 177.584 -0.482 0.000 1.187 371 A CA 0.773 52.285 52.037 -0.876 0.000 0.614 371 A CB -0.632 17.858 19.000 -0.850 0.000 0.826 371 A HN 0.096 nan 8.150 nan 0.000 0.442 372 V N 0.464 120.119 119.914 -0.432 0.000 2.282 372 V HA -0.393 3.727 4.120 -0.001 0.000 0.249 372 V C 2.710 178.670 176.094 -0.222 0.000 1.057 372 V CA 2.545 64.556 62.300 -0.481 0.000 1.032 372 V CB -1.030 30.575 31.823 -0.364 0.000 0.645 372 V HN 0.687 nan 8.190 nan 0.000 0.447 373 Q N -0.233 119.472 119.800 -0.157 0.000 2.079 373 Q HA -0.223 4.116 4.340 -0.001 0.000 0.200 373 Q C 2.368 178.421 176.000 0.087 0.000 0.974 373 Q CA 1.676 57.487 55.803 0.014 0.000 0.840 373 Q CB -0.331 28.219 28.738 -0.313 0.000 0.898 373 Q HN 0.654 nan 8.270 nan 0.000 0.430 374 K N 1.315 121.676 120.400 -0.064 0.000 2.009 374 K HA -0.216 4.103 4.320 -0.001 0.000 0.210 374 K C 1.944 178.494 176.600 -0.083 0.000 1.049 374 K CA 1.591 57.863 56.287 -0.025 0.000 0.929 374 K CB -0.197 32.278 32.500 -0.042 0.000 0.714 374 K HN 0.100 nan 8.250 nan 0.000 0.440 375 I N 1.533 121.990 120.570 -0.189 0.000 2.179 375 I HA -0.269 3.901 4.170 -0.001 0.000 0.242 375 I C 2.385 178.479 176.117 -0.038 0.000 1.088 375 I CA 1.706 62.862 61.300 -0.239 0.000 1.357 375 I CB -0.488 37.320 38.000 -0.320 0.000 1.051 375 I HN 0.287 nan 8.210 nan 0.000 0.409 376 T N -0.251 114.366 114.554 0.105 0.000 2.652 376 T HA -0.263 4.087 4.350 -0.001 0.000 0.267 376 T C 2.047 176.688 174.700 -0.098 0.000 1.039 376 T CA 2.407 64.513 62.100 0.011 0.000 1.153 376 T CB -0.872 67.935 68.868 -0.102 0.000 0.863 376 T HN 0.608 nan 8.240 nan 0.000 0.428 377 T N 1.384 115.990 114.554 0.087 0.000 2.737 377 T HA -0.188 4.161 4.350 -0.001 0.000 0.269 377 T C 1.730 176.480 174.700 0.084 0.000 1.040 377 T CA 1.594 63.816 62.100 0.203 0.000 1.142 377 T CB -0.505 68.633 68.868 0.449 0.000 0.861 377 T HN 0.551 nan 8.240 nan 0.000 0.456 378 E N 0.739 120.917 120.200 -0.035 0.000 2.072 378 E HA -0.065 4.284 4.350 -0.001 0.000 0.191 378 E C 2.513 179.018 176.600 -0.158 0.000 0.985 378 E CA 1.118 57.425 56.400 -0.156 0.000 0.801 378 E CB -0.324 29.045 29.700 -0.552 0.000 0.750 378 E HN 0.568 nan 8.360 nan 0.000 0.452 379 S N 0.850 116.471 115.700 -0.132 0.000 2.368 379 S HA -0.142 4.328 4.470 -0.001 0.000 0.225 379 S C 2.031 176.511 174.600 -0.200 0.000 1.030 379 S CA 0.781 58.955 58.200 -0.043 0.000 0.999 379 S CB -0.158 63.076 63.200 0.056 0.000 0.844 379 S HN 0.143 nan 8.310 nan 0.000 0.459 380 I N 0.734 121.118 120.570 -0.310 0.000 2.286 380 I HA -0.125 4.045 4.170 -0.001 0.000 0.248 380 I C 2.189 178.102 176.117 -0.340 0.000 1.115 380 I CA 0.810 61.817 61.300 -0.489 0.000 1.392 380 I CB -0.185 37.439 38.000 -0.627 0.000 1.065 380 I HN 0.191 nan 8.210 nan 0.000 0.418 381 V N 0.695 120.463 119.914 -0.243 0.000 2.346 381 V HA -0.199 3.921 4.120 -0.001 0.000 0.244 381 V C 2.161 178.177 176.094 -0.130 0.000 1.037 381 V CA 1.657 63.876 62.300 -0.134 0.000 1.029 381 V CB -0.193 31.658 31.823 0.047 0.000 0.663 381 V HN 0.287 nan 8.190 nan 0.000 0.454 382 I N -1.321 119.031 120.570 -0.363 0.000 2.193 382 I HA -0.179 3.991 4.170 -0.001 0.000 0.240 382 I C 2.083 177.667 176.117 -0.888 0.000 1.084 382 I CA 1.676 62.535 61.300 -0.735 0.000 1.365 382 I CB -0.337 36.826 38.000 -1.395 0.000 1.064 382 I HN 0.392 nan 8.210 nan 0.000 0.410 383 W N 0.464 121.432 121.300 -0.554 0.000 2.998 383 W HA 0.387 5.046 4.660 -0.001 0.000 0.336 383 W C 1.243 177.112 176.519 -1.084 0.000 1.112 383 W CA 0.426 57.245 57.345 -0.878 0.000 1.682 383 W CB -0.439 28.430 29.460 -0.985 0.000 1.065 383 W HN 0.324 nan 8.180 nan 0.000 0.570 384 G N 2.985 111.236 108.800 -0.916 0.000 2.273 384 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.280 384 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.280 384 G C 0.063 174.842 174.900 -0.202 0.000 1.047 384 G CA 1.121 45.907 45.100 -0.523 0.000 0.869 384 G HN 0.344 nan 8.290 nan 0.000 0.502 385 K N -1.249 118.984 120.400 -0.278 0.000 2.598 385 K HA 0.609 4.929 4.320 -0.001 0.000 0.271 385 K C -0.295 176.186 176.600 -0.200 0.000 0.947 385 K CA -0.223 55.984 56.287 -0.133 0.000 0.854 385 K CB 0.949 33.478 32.500 0.050 0.000 1.401 385 K HN 0.626 nan 8.250 nan 0.000 0.415 386 T N 0.551 115.006 114.554 -0.165 0.000 2.909 386 T HA 0.554 4.904 4.350 -0.001 0.000 0.286 386 T C -2.115 172.496 174.700 -0.149 0.000 1.002 386 T CA -1.381 60.610 62.100 -0.182 0.000 1.074 386 T CB 1.096 69.844 68.868 -0.200 0.000 0.984 386 T HN 0.476 nan 8.240 nan 0.000 0.495 387 P HA 0.345 nan 4.420 nan 0.000 0.278 387 P C -1.105 175.968 177.300 -0.378 0.000 1.266 387 P CA -0.722 62.133 63.100 -0.408 0.000 0.807 387 P CB 0.643 31.921 31.700 -0.704 0.000 1.094 388 K N 0.968 121.142 120.400 -0.378 0.000 2.263 388 K HA 0.388 4.707 4.320 -0.001 0.000 0.272 388 K C -1.157 175.258 176.600 -0.308 0.000 1.033 388 K CA -0.292 55.867 56.287 -0.213 0.000 0.884 388 K CB -0.294 32.120 32.500 -0.145 0.000 1.107 388 K HN 0.110 nan 8.250 nan 0.000 0.460 389 F N 2.814 122.711 119.950 -0.089 0.000 2.399 389 F HA 0.311 4.838 4.527 -0.000 0.000 0.342 389 F C 0.693 176.400 175.800 -0.155 0.000 1.106 389 F CA -0.154 57.779 58.000 -0.112 0.000 1.196 389 F CB 1.227 40.178 39.000 -0.082 0.000 1.163 389 F HN 0.326 nan 8.300 nan 0.000 0.547 390 K N 4.674 125.073 120.400 -0.001 0.000 2.419 390 K HA 0.397 4.716 4.320 -0.001 0.000 0.244 390 K C -1.209 175.349 176.600 -0.070 0.000 1.045 390 K CA -0.336 55.919 56.287 -0.054 0.000 1.004 390 K CB 0.741 33.230 32.500 -0.019 0.000 1.376 390 K HN 0.496 nan 8.250 nan 0.000 0.460 391 L N 4.774 125.860 121.223 -0.229 0.000 2.290 391 L HA 0.274 4.614 4.340 -0.001 0.000 0.284 391 L C -1.696 175.125 176.870 -0.082 0.000 1.078 391 L CA -1.941 52.729 54.840 -0.284 0.000 0.815 391 L CB 0.632 42.244 42.059 -0.744 0.000 1.162 391 L HN 0.315 nan 8.230 nan 0.000 0.435 392 P HA 0.192 nan 4.420 nan 0.000 0.226 392 P C -0.452 176.915 177.300 0.111 0.000 1.783 392 P CA 0.518 63.668 63.100 0.083 0.000 0.980 392 P CB 0.384 32.162 31.700 0.129 0.000 1.967 393 I N -1.210 119.438 120.570 0.130 0.000 3.352 393 I HA 0.288 4.457 4.170 -0.001 0.000 0.316 393 I C -1.118 175.075 176.117 0.126 0.000 1.214 393 I CA -1.362 60.029 61.300 0.152 0.000 0.934 393 I CB 2.771 40.875 38.000 0.172 0.000 1.310 393 I HN -0.216 nan 8.210 nan 0.000 0.475 394 Q N 2.226 122.061 119.800 0.059 0.000 2.296 394 Q HA 0.140 4.480 4.340 -0.001 0.000 0.257 394 Q C 0.592 176.397 176.000 -0.325 0.000 0.942 394 Q CA -0.154 55.606 55.803 -0.071 0.000 0.939 394 Q CB 1.654 30.399 28.738 0.013 0.000 1.198 394 Q HN 0.543 nan 8.270 nan 0.000 0.429 395 K N 3.466 123.375 120.400 -0.819 0.000 2.107 395 K HA -0.291 4.028 4.320 -0.001 0.000 0.211 395 K C 0.807 177.145 176.600 -0.435 0.000 1.049 395 K CA 2.448 57.858 56.287 -1.462 0.000 0.927 395 K CB 0.221 32.151 32.500 -0.950 0.000 0.714 395 K HN 0.566 nan 8.250 nan 0.000 0.452 396 E N 0.021 120.126 120.200 -0.158 0.000 2.028 396 E HA -0.102 4.248 4.350 -0.001 0.000 0.191 396 E C 2.112 178.731 176.600 0.031 0.000 0.988 396 E CA 1.922 58.336 56.400 0.023 0.000 0.799 396 E CB -0.455 29.282 29.700 0.061 0.000 0.755 396 E HN 0.351 nan 8.360 nan 0.000 0.447 397 T N 0.827 115.437 114.554 0.093 0.000 2.607 397 T HA -0.234 4.116 4.350 -0.001 0.000 0.267 397 T C 1.314 176.187 174.700 0.288 0.000 1.049 397 T CA 1.438 63.688 62.100 0.250 0.000 1.162 397 T CB -0.622 68.418 68.868 0.285 0.000 0.863 397 T HN 0.405 nan 8.240 nan 0.000 0.424 398 W N 1.906 123.241 121.300 0.058 0.000 2.304 398 W HA -0.244 4.416 4.660 -0.000 0.000 0.315 398 W C 2.040 178.593 176.519 0.057 0.000 1.233 398 W CA 1.861 59.244 57.345 0.062 0.000 1.261 398 W CB -0.330 29.147 29.460 0.028 0.000 1.150 398 W HN 0.428 nan 8.180 nan 0.000 0.494 399 E N -0.730 119.442 120.200 -0.046 0.000 2.085 399 E HA -0.263 4.086 4.350 -0.001 0.000 0.194 399 E C 2.285 178.499 176.600 -0.644 0.000 0.994 399 E CA 2.628 58.807 56.400 -0.368 0.000 0.801 399 E CB -0.484 28.861 29.700 -0.591 0.000 0.743 399 E HN 0.248 nan 8.360 nan 0.000 0.453 400 T N -1.837 112.370 114.554 -0.577 0.000 2.904 400 T HA -0.135 4.214 4.350 -0.001 0.000 0.267 400 T C 1.368 175.538 174.700 -0.883 0.000 1.059 400 T CA 1.101 62.736 62.100 -0.774 0.000 1.137 400 T CB -0.179 68.169 68.868 -0.867 0.000 0.879 400 T HN 0.333 nan 8.240 nan 0.000 0.467 401 W N 0.279 121.387 121.300 -0.319 0.000 2.640 401 W HA 0.277 4.936 4.660 -0.001 0.000 0.271 401 W C 2.328 178.537 176.519 -0.517 0.000 1.218 401 W CA -0.449 56.700 57.345 -0.326 0.000 1.382 401 W CB -0.454 28.960 29.460 -0.076 0.000 1.067 401 W HN 0.295 nan 8.180 nan 0.000 0.590 402 W N 1.753 122.699 121.300 -0.590 0.000 2.276 402 W HA -0.351 4.309 4.660 -0.000 0.000 0.307 402 W C 1.727 177.978 176.519 -0.447 0.000 1.240 402 W CA 2.359 59.200 57.345 -0.838 0.000 1.249 402 W CB -1.964 26.410 29.460 -1.810 0.000 1.140 402 W HN 0.015 nan 8.180 nan 0.000 0.519 403 T N 0.889 114.550 114.554 -1.489 0.000 2.962 403 T HA -0.205 4.145 4.350 -0.001 0.000 0.270 403 T C 1.548 175.879 174.700 -0.614 0.000 1.088 403 T CA 1.841 63.176 62.100 -1.276 0.000 1.127 403 T CB -0.380 67.625 68.868 -1.439 0.000 0.883 403 T HN 0.252 nan 8.240 nan 0.000 0.493 404 E N 0.449 120.246 120.200 -0.671 0.000 2.338 404 E HA -0.089 4.261 4.350 -0.001 0.000 0.197 404 E C 0.697 176.860 176.600 -0.729 0.000 1.007 404 E CA 0.968 56.941 56.400 -0.711 0.000 0.849 404 E CB -0.273 28.869 29.700 -0.929 0.000 0.774 404 E HN 0.853 nan 8.360 nan 0.000 0.506 405 Y N -2.267 118.008 120.300 -0.041 0.000 2.563 405 Y HA 0.206 4.756 4.550 -0.001 0.000 0.250 405 Y C 0.825 176.744 175.900 0.032 0.000 1.126 405 Y CA -1.345 56.746 58.100 -0.015 0.000 1.231 405 Y CB -0.151 38.296 38.460 -0.022 0.000 1.288 405 Y HN 0.003 nan 8.280 nan 0.000 0.537 406 W N 4.266 125.534 121.300 -0.054 0.000 2.210 406 W HA 0.074 4.733 4.660 -0.001 0.000 0.330 406 W C 0.241 176.728 176.519 -0.054 0.000 1.334 406 W CA 0.915 58.267 57.345 0.012 0.000 1.227 406 W CB 0.968 30.476 29.460 0.080 0.000 1.178 406 W HN 0.275 nan 8.180 nan 0.000 0.560 407 Q N 3.062 122.576 119.800 -0.477 0.000 2.143 407 Q HA 0.159 4.498 4.340 -0.001 0.000 0.242 407 Q C 0.407 176.113 176.000 -0.490 0.000 0.790 407 Q CA -0.118 55.471 55.803 -0.357 0.000 0.954 407 Q CB 0.979 29.521 28.738 -0.326 0.000 1.155 407 Q HN 0.401 nan 8.270 nan 0.000 0.474 408 A N 1.484 123.742 122.820 -0.938 0.000 2.322 408 A HA 0.318 4.637 4.320 -0.001 0.000 0.269 408 A C 1.183 178.526 177.584 -0.402 0.000 1.094 408 A CA 0.113 51.539 52.037 -1.018 0.000 0.807 408 A CB 0.411 18.174 19.000 -2.062 0.000 1.047 408 A HN 0.224 nan 8.150 nan 0.000 0.487 409 T N -1.442 112.825 114.554 -0.478 0.000 3.129 409 T HA 0.142 4.492 4.350 -0.001 0.000 0.251 409 T C 0.419 175.212 174.700 0.154 0.000 1.117 409 T CA 0.157 62.214 62.100 -0.072 0.000 1.034 409 T CB -0.444 68.398 68.868 -0.044 0.000 0.968 409 T HN 0.702 nan 8.240 nan 0.000 0.526 410 W N 0.502 122.047 121.300 0.409 0.000 2.894 410 W HA 0.772 5.432 4.660 -0.000 0.000 0.345 410 W C -1.397 175.430 176.519 0.515 0.000 1.152 410 W CA -1.876 55.696 57.345 0.379 0.000 1.089 410 W CB 0.824 30.482 29.460 0.330 0.000 1.454 410 W HN -0.145 nan 8.180 nan 0.000 0.589 411 I N 2.129 123.143 120.570 0.740 0.000 2.534 411 I HA 0.292 4.462 4.170 -0.001 0.000 0.288 411 I C -2.278 173.913 176.117 0.124 0.000 1.077 411 I CA -2.235 59.255 61.300 0.318 0.000 1.051 411 I CB 2.120 39.962 38.000 -0.263 0.000 1.234 411 I HN -0.033 nan 8.210 nan 0.000 0.425 412 P HA 0.331 nan 4.420 nan 0.000 0.279 412 P C -0.818 176.310 177.300 -0.287 0.000 1.276 412 P CA -0.483 62.643 63.100 0.044 0.000 0.801 412 P CB 0.979 32.900 31.700 0.369 0.000 1.127 413 E N -0.230 119.880 120.200 -0.150 0.000 2.343 413 E HA 0.380 4.729 4.350 -0.001 0.000 0.269 413 E C -1.048 175.492 176.600 -0.100 0.000 1.047 413 E CA -0.110 56.124 56.400 -0.277 0.000 0.874 413 E CB 0.417 30.044 29.700 -0.122 0.000 1.033 413 E HN 0.363 nan 8.360 nan 0.000 0.409 414 W N 2.366 123.606 121.300 -0.100 0.000 3.256 414 W HA 0.403 5.063 4.660 -0.001 0.000 0.324 414 W C -1.306 174.983 176.519 -0.383 0.000 1.196 414 W CA -1.000 56.195 57.345 -0.249 0.000 1.206 414 W CB -0.041 29.170 29.460 -0.415 0.000 1.385 414 W HN 0.424 nan 8.180 nan 0.000 0.522 415 E N 1.272 121.388 120.200 -0.141 0.000 2.320 415 E HA 0.752 5.102 4.350 -0.001 0.000 0.264 415 E C -1.642 174.669 176.600 -0.483 0.000 0.923 415 E CA -1.039 55.242 56.400 -0.199 0.000 0.796 415 E CB 2.345 32.039 29.700 -0.010 0.000 1.262 415 E HN 0.307 nan 8.360 nan 0.000 0.428 416 F N 0.527 120.496 119.950 0.031 0.000 2.443 416 F HA 0.463 4.990 4.527 -0.001 0.000 0.335 416 F C 0.256 176.061 175.800 0.009 0.000 1.104 416 F CA -0.793 57.194 58.000 -0.021 0.000 1.013 416 F CB 2.014 41.001 39.000 -0.021 0.000 1.136 416 F HN 0.420 nan 8.300 nan 0.000 0.470 417 V N -0.329 119.673 119.914 0.147 0.000 3.141 417 V HA 0.588 4.708 4.120 -0.001 0.000 0.312 417 V C -1.129 175.020 176.094 0.092 0.000 1.157 417 V CA -0.964 61.397 62.300 0.103 0.000 1.041 417 V CB 2.334 34.196 31.823 0.065 0.000 1.071 417 V HN 0.735 nan 8.190 nan 0.000 0.441 418 N N 1.598 120.340 118.700 0.071 0.000 2.558 418 N HA 0.337 5.077 4.740 -0.001 0.000 0.242 418 N C -0.331 175.201 175.510 0.037 0.000 0.979 418 N CA -0.274 52.808 53.050 0.053 0.000 0.931 418 N CB 1.512 40.026 38.487 0.045 0.000 1.122 418 N HN 0.898 nan 8.380 nan 0.000 0.508 419 T N 2.790 117.363 114.554 0.032 0.000 2.939 419 T HA 0.028 4.378 4.350 -0.001 0.000 0.312 419 T C -2.227 172.462 174.700 -0.019 0.000 1.064 419 T CA -0.068 62.041 62.100 0.014 0.000 1.136 419 T CB 0.238 69.112 68.868 0.011 0.000 1.035 419 T HN 0.242 nan 8.240 nan 0.000 0.538 420 P HA 0.241 nan 4.420 nan 0.000 0.288 420 P C -1.575 175.607 177.300 -0.196 0.000 1.363 420 P CA -1.657 61.394 63.100 -0.083 0.000 0.837 420 P CB 0.869 32.541 31.700 -0.046 0.000 0.981 421 P HA -0.288 nan 4.420 nan 0.000 0.233 421 P C 0.997 178.053 177.300 -0.406 0.000 1.146 421 P CA 1.882 64.846 63.100 -0.228 0.000 0.931 421 P CB -0.043 31.553 31.700 -0.173 0.000 0.777 422 L N -1.619 119.215 121.223 -0.649 0.000 2.071 422 L HA -0.049 4.290 4.340 -0.001 0.000 0.201 422 L C 2.796 178.757 176.870 -1.515 0.000 1.076 422 L CA 0.777 54.806 54.840 -1.351 0.000 0.755 422 L CB -1.591 39.214 42.059 -2.090 0.000 0.915 422 L HN -0.228 nan 8.230 nan 0.000 0.445 423 V N 0.859 120.146 119.914 -1.045 0.000 2.357 423 V HA -0.395 3.724 4.120 -0.001 0.000 0.257 423 V C 2.637 178.566 176.094 -0.276 0.000 1.082 423 V CA 2.531 64.537 62.300 -0.491 0.000 1.078 423 V CB -1.036 30.750 31.823 -0.061 0.000 0.663 423 V HN 0.524 nan 8.190 nan 0.000 0.455 424 K N 0.987 121.222 120.400 -0.275 0.000 2.057 424 K HA -0.188 4.132 4.320 -0.001 0.000 0.207 424 K C 2.164 178.674 176.600 -0.150 0.000 1.049 424 K CA 2.103 58.307 56.287 -0.139 0.000 0.931 424 K CB -0.281 32.131 32.500 -0.147 0.000 0.714 424 K HN 0.635 nan 8.250 nan 0.000 0.440 425 L N -1.898 119.143 121.223 -0.304 0.000 2.068 425 L HA 0.059 4.399 4.340 -0.001 0.000 0.204 425 L C 1.965 178.760 176.870 -0.124 0.000 1.076 425 L CA 0.551 55.265 54.840 -0.210 0.000 0.753 425 L CB -1.021 40.891 42.059 -0.246 0.000 0.910 425 L HN 0.088 nan 8.230 nan 0.000 0.439 426 W N -0.285 120.765 121.300 -0.417 0.000 2.389 426 W HA -0.144 4.515 4.660 -0.000 0.000 0.267 426 W C 1.859 178.005 176.519 -0.621 0.000 1.219 426 W CA 0.675 57.581 57.345 -0.731 0.000 1.189 426 W CB -0.993 27.413 29.460 -1.756 0.000 1.129 426 W HN 0.295 nan 8.180 nan 0.000 0.581 427 Y N -0.811 119.459 120.300 -0.051 0.000 2.444 427 Y HA 0.119 4.668 4.550 -0.001 0.000 0.249 427 Y C 1.728 177.676 175.900 0.079 0.000 1.134 427 Y CA -0.294 57.860 58.100 0.091 0.000 1.261 427 Y CB -0.525 37.996 38.460 0.103 0.000 1.143 427 Y HN -0.161 nan 8.280 nan 0.000 0.523 428 Q N 0.000 119.896 119.800 0.160 0.000 2.315 428 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 428 Q CA 0.000 55.866 55.803 0.105 0.000 1.022 428 Q CB 0.000 28.760 28.738 0.037 0.000 1.108 428 Q HN 0.000 nan 8.270 nan 0.000 0.481