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 4rub_1_B DATA FIRST_RESID 9 DATA SEQUENCE ASVGFKAGVK EYKLTYYTPE YQTKDTDILA AFRVTPQPGV PPEEAGAAVA DATA SEQUENCE AESSTGTWTT VWTDGLTSLD RYKGRCYRIE RVVGEKDQYI AYVAYPLDLF DATA SEQUENCE EEGSVTNMFT SIVGNVFGFK ALRALRLEDL RIPPAYVKTF QGPPHGIQVE DATA SEQUENCE RDKLNKYGRP LLGCTIKPKL GLSAKNYGRA VYECLRGGLD FTKDDENVNS DATA SEQUENCE QPFMRWRDRF LFCAEALYKA QAETGEIKGH YLNATAGTCE EMIKRAVFAR DATA SEQUENCE ELGVPIVMHD YLTGGFTANT SLAHYCRDNG LLLHIHRAMH AVIDRQKNHG DATA SEQUENCE IHFRVLAKAL RMSGGDHIHS GTVVGKLEGE RDITLGFVDL LRDDFVEQDR DATA SEQUENCE SRGIYFTQDW VSLPGVLPVA SGGIHVWHMP ALTEIFGDDS VLQFGGGTLG DATA SEQUENCE HPWGNAPGAV ANRVALEACV KARNEGRDLA QEGNEIIREA cKWSPELAAA DATA SEQUENCE cEVWKEIVFN FAAVD 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 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.614 177.584 0.051 0.000 1.274 9 A CA 0.000 52.075 52.037 0.063 0.000 0.836 9 A CB 0.000 19.040 19.000 0.067 0.000 0.831 10 S N -1.917 113.816 115.700 0.055 0.000 2.996 10 S HA 0.404 4.874 4.470 -0.000 0.000 0.849 10 S C -0.278 174.354 174.600 0.053 0.000 0.950 10 S CA 0.118 58.345 58.200 0.044 0.000 1.370 10 S CB -2.017 61.201 63.200 0.030 0.000 0.976 10 S HN 2.680 nan 8.310 nan 0.000 0.237 11 V N 0.761 120.704 119.914 0.048 0.000 3.418 11 V HA 0.119 4.239 4.120 -0.000 0.000 0.479 11 V C 1.513 177.652 176.094 0.077 0.000 0.682 11 V CA 0.684 63.014 62.300 0.051 0.000 2.011 11 V CB -1.685 30.165 31.823 0.046 0.000 2.457 11 V HN 2.368 nan 8.190 nan 0.000 0.501 12 G N 4.545 113.385 108.800 0.066 0.000 2.568 12 G HA2 0.286 4.246 3.960 -0.000 0.000 0.231 12 G HA3 0.286 4.246 3.960 -0.000 0.000 0.231 12 G C -0.378 174.612 174.900 0.149 0.000 1.261 12 G CA 0.266 45.419 45.100 0.089 0.000 0.855 12 G HN 1.682 nan 8.290 nan 0.000 0.576 13 F N 1.924 121.900 119.950 0.043 0.000 2.467 13 F HA 0.443 4.970 4.527 -0.001 0.000 0.362 13 F C 0.391 176.215 175.800 0.040 0.000 1.090 13 F CA -0.984 57.056 58.000 0.068 0.000 1.202 13 F CB 0.944 40.015 39.000 0.119 0.000 1.113 13 F HN 0.279 nan 8.300 nan 0.000 0.541 14 K N 6.559 126.838 120.400 -0.201 0.000 2.527 14 K HA 0.599 4.918 4.320 -0.000 0.000 0.240 14 K C -0.471 175.846 176.600 -0.472 0.000 0.989 14 K CA -0.657 55.409 56.287 -0.368 0.000 0.985 14 K CB 0.937 33.357 32.500 -0.132 0.000 1.221 14 K HN 0.908 nan 8.250 nan 0.000 0.458 15 A N 2.256 124.576 122.820 -0.834 0.000 2.536 15 A HA 0.464 4.784 4.320 -0.000 0.000 0.234 15 A C 0.569 178.066 177.584 -0.145 0.000 1.076 15 A CA 1.070 52.858 52.037 -0.414 0.000 0.769 15 A CB -0.208 18.578 19.000 -0.356 0.000 1.020 15 A HN 1.025 nan 8.150 nan 0.000 0.508 16 G N -1.268 107.501 108.800 -0.052 0.000 2.587 16 G HA2 0.294 4.254 3.960 -0.000 0.000 0.686 16 G HA3 0.294 4.254 3.960 -0.000 0.000 0.686 16 G C -0.547 174.340 174.900 -0.021 0.000 1.236 16 G CA -0.558 44.527 45.100 -0.025 0.000 0.820 16 G HN 1.584 nan 8.290 nan 0.000 0.645 17 V N 1.019 120.946 119.914 0.021 0.000 3.096 17 V HA 0.574 4.693 4.120 -0.000 0.000 0.306 17 V C 0.819 176.918 176.094 0.009 0.000 1.088 17 V CA 0.474 62.799 62.300 0.042 0.000 1.129 17 V CB 1.209 33.117 31.823 0.142 0.000 1.014 17 V HN 0.922 nan 8.190 nan 0.000 0.486 18 K N 1.105 121.493 120.400 -0.019 0.000 2.587 18 K HA 0.417 4.737 4.320 -0.000 0.000 0.276 18 K C -1.355 175.204 176.600 -0.068 0.000 0.956 18 K CA -0.981 55.295 56.287 -0.018 0.000 0.857 18 K CB 2.036 34.544 32.500 0.014 0.000 1.431 18 K HN 0.633 nan 8.250 nan 0.000 0.420 19 E N 0.833 121.008 120.200 -0.041 0.000 2.404 19 E HA 0.021 4.371 4.350 -0.000 0.000 0.261 19 E C 0.288 176.889 176.600 0.000 0.000 1.074 19 E CA 0.137 56.494 56.400 -0.070 0.000 0.917 19 E CB 0.168 29.867 29.700 -0.002 0.000 0.965 19 E HN 0.382 nan 8.360 nan 0.000 0.433 20 Y N 1.627 122.003 120.300 0.126 0.000 2.097 20 Y HA -0.272 4.278 4.550 -0.000 0.000 0.282 20 Y C 2.227 178.257 175.900 0.217 0.000 1.152 20 Y CA 1.693 59.901 58.100 0.181 0.000 1.136 20 Y CB -0.521 37.988 38.460 0.081 0.000 0.975 20 Y HN 0.570 nan 8.280 nan 0.000 0.498 21 K N -0.055 120.517 120.400 0.287 0.000 2.169 21 K HA -0.265 4.055 4.320 -0.000 0.000 0.213 21 K C 1.783 178.510 176.600 0.213 0.000 1.050 21 K CA 1.868 58.290 56.287 0.225 0.000 0.935 21 K CB -0.405 32.168 32.500 0.122 0.000 0.722 21 K HN 0.169 nan 8.250 nan 0.000 0.468 22 L N 0.327 121.647 121.223 0.161 0.000 2.187 22 L HA -0.151 4.189 4.340 -0.000 0.000 0.213 22 L C 1.859 178.760 176.870 0.050 0.000 1.100 22 L CA 2.002 56.903 54.840 0.101 0.000 0.765 22 L CB -1.109 40.996 42.059 0.075 0.000 0.904 22 L HN 0.412 nan 8.230 nan 0.000 0.437 23 T N -3.925 110.651 114.554 0.038 0.000 2.964 23 T HA 0.065 4.415 4.350 -0.000 0.000 0.250 23 T C 1.288 175.737 174.700 -0.418 0.000 0.982 23 T CA -0.046 61.901 62.100 -0.255 0.000 0.959 23 T CB 0.078 68.669 68.868 -0.462 0.000 1.141 23 T HN 0.076 nan 8.240 nan 0.000 0.494 24 Y N 0.138 120.489 120.300 0.086 0.000 2.457 24 Y HA 0.398 4.948 4.550 -0.000 0.000 0.263 24 Y C 0.188 176.141 175.900 0.088 0.000 1.164 24 Y CA -1.002 57.125 58.100 0.044 0.000 1.274 24 Y CB 0.264 38.734 38.460 0.016 0.000 1.097 24 Y HN 0.201 nan 8.280 nan 0.000 0.523 25 Y N 0.752 121.095 120.300 0.072 0.000 2.369 25 Y HA 0.475 5.024 4.550 -0.000 0.000 0.337 25 Y C -0.371 175.543 175.900 0.022 0.000 0.961 25 Y CA -1.090 57.035 58.100 0.042 0.000 1.186 25 Y CB 1.081 39.564 38.460 0.039 0.000 1.139 25 Y HN -0.181 nan 8.280 nan 0.000 0.494 26 T N 9.491 123.767 114.554 -0.463 0.000 3.428 26 T HA 0.180 4.530 4.350 -0.000 0.000 0.301 26 T C -2.157 172.374 174.700 -0.281 0.000 1.323 26 T CA -0.863 61.041 62.100 -0.327 0.000 1.647 26 T CB 0.687 69.457 68.868 -0.163 0.000 0.871 26 T HN 0.482 nan 8.240 nan 0.000 0.627 27 P HA -0.031 nan 4.420 nan 0.000 0.231 27 P C 0.862 178.135 177.300 -0.045 0.000 1.158 27 P CA 0.806 63.766 63.100 -0.233 0.000 0.763 27 P CB 0.479 32.019 31.700 -0.268 0.000 0.805 28 E N -0.738 119.430 120.200 -0.054 0.000 2.047 28 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 28 E C 0.653 177.291 176.600 0.064 0.000 0.987 28 E CA 0.333 56.735 56.400 0.004 0.000 0.799 28 E CB -1.078 28.620 29.700 -0.003 0.000 0.752 28 E HN 0.221 nan 8.360 nan 0.000 0.449 29 Y N 2.382 122.653 120.300 -0.048 0.000 2.969 29 Y HA -0.178 4.372 4.550 -0.000 0.000 0.339 29 Y C -0.009 175.853 175.900 -0.062 0.000 1.272 29 Y CA 0.512 58.580 58.100 -0.054 0.000 1.577 29 Y CB 0.349 38.775 38.460 -0.056 0.000 1.234 29 Y HN 0.004 nan 8.280 nan 0.000 0.590 30 Q N 4.999 124.409 119.800 -0.649 0.000 2.400 30 Q HA 0.174 4.514 4.340 -0.000 0.000 0.255 30 Q C -0.140 175.168 176.000 -1.155 0.000 1.008 30 Q CA -0.482 54.943 55.803 -0.630 0.000 0.841 30 Q CB 0.984 29.485 28.738 -0.394 0.000 1.220 30 Q HN 0.798 nan 8.270 nan 0.000 0.474 31 T N 0.343 114.442 114.554 -0.758 0.000 2.928 31 T HA 0.290 4.640 4.350 -0.000 0.000 0.305 31 T C 0.199 174.701 174.700 -0.329 0.000 1.035 31 T CA -0.499 61.291 62.100 -0.516 0.000 1.145 31 T CB 0.735 69.450 68.868 -0.255 0.000 0.963 31 T HN 0.127 nan 8.240 nan 0.000 0.545 32 K N 1.864 122.156 120.400 -0.179 0.000 2.118 32 K HA 0.296 4.616 4.320 -0.000 0.000 0.267 32 K C 0.960 177.529 176.600 -0.050 0.000 0.991 32 K CA -0.737 55.489 56.287 -0.102 0.000 0.916 32 K CB 0.712 33.188 32.500 -0.041 0.000 1.041 32 K HN 0.500 nan 8.250 nan 0.000 0.455 33 D N 0.575 120.950 120.400 -0.041 0.000 2.354 33 D HA -0.122 4.518 4.640 -0.000 0.000 0.216 33 D C 0.665 176.960 176.300 -0.007 0.000 0.970 33 D CA 1.388 55.375 54.000 -0.022 0.000 0.905 33 D CB 0.031 40.826 40.800 -0.009 0.000 0.903 33 D HN 0.695 nan 8.370 nan 0.000 0.508 34 T N -2.707 111.851 114.554 0.007 0.000 3.134 34 T HA 0.086 4.436 4.350 -0.000 0.000 0.260 34 T C 0.372 175.094 174.700 0.037 0.000 1.027 34 T CA -0.633 61.485 62.100 0.030 0.000 0.913 34 T CB 0.688 69.585 68.868 0.048 0.000 1.046 34 T HN -0.256 nan 8.240 nan 0.000 0.553 35 D N 1.490 121.906 120.400 0.027 0.000 2.341 35 D HA 0.392 5.032 4.640 -0.000 0.000 0.245 35 D C -0.221 176.082 176.300 0.006 0.000 1.106 35 D CA -0.545 53.491 54.000 0.059 0.000 0.905 35 D CB 0.985 41.821 40.800 0.061 0.000 1.202 35 D HN 0.150 nan 8.370 nan 0.000 0.426 36 I N 2.105 122.712 120.570 0.061 0.000 2.365 36 I HA 0.183 4.353 4.170 -0.000 0.000 0.291 36 I C -0.108 176.021 176.117 0.021 0.000 1.004 36 I CA -0.146 61.110 61.300 -0.074 0.000 1.311 36 I CB 0.733 38.576 38.000 -0.262 0.000 1.401 36 I HN 0.089 nan 8.210 nan 0.000 0.491 37 L N 6.128 127.240 121.223 -0.184 0.000 2.342 37 L HA 0.923 5.263 4.340 -0.000 0.000 0.271 37 L C -0.271 176.477 176.870 -0.202 0.000 1.008 37 L CA -0.758 53.983 54.840 -0.165 0.000 0.818 37 L CB 1.703 43.538 42.059 -0.374 0.000 1.296 37 L HN 0.634 nan 8.230 nan 0.000 0.427 38 A N 1.633 124.520 122.820 0.112 0.000 2.398 38 A HA 0.839 5.159 4.320 -0.000 0.000 0.301 38 A C -0.680 176.941 177.584 0.062 0.000 1.041 38 A CA -0.529 51.522 52.037 0.025 0.000 0.711 38 A CB 1.708 20.598 19.000 -0.183 0.000 1.240 38 A HN 0.749 nan 8.150 nan 0.000 0.420 39 A N 2.338 125.116 122.820 -0.071 0.000 2.478 39 A HA 0.662 4.982 4.320 -0.000 0.000 0.327 39 A C -0.832 176.501 177.584 -0.418 0.000 1.431 39 A CA -0.209 51.570 52.037 -0.431 0.000 1.014 39 A CB -0.692 17.892 19.000 -0.693 0.000 1.143 39 A HN 0.588 nan 8.150 nan 0.000 0.532 40 F N 1.123 120.936 119.950 -0.229 0.000 2.385 40 F HA 0.463 4.990 4.527 -0.000 0.000 0.336 40 F C 1.158 176.856 175.800 -0.170 0.000 1.100 40 F CA -0.281 57.612 58.000 -0.179 0.000 1.116 40 F CB 1.340 40.249 39.000 -0.150 0.000 1.166 40 F HN 0.558 nan 8.300 nan 0.000 0.511 41 R N 3.595 124.131 120.500 0.060 0.000 2.278 41 R HA 0.530 4.870 4.340 -0.000 0.000 0.322 41 R C -1.705 174.621 176.300 0.043 0.000 1.058 41 R CA -0.296 55.828 56.100 0.040 0.000 0.991 41 R CB 0.950 31.262 30.300 0.020 0.000 1.140 41 R HN 0.630 nan 8.270 nan 0.000 0.518 42 V N 3.795 123.753 119.914 0.074 0.000 2.617 42 V HA 0.480 4.600 4.120 -0.000 0.000 0.298 42 V C -0.744 175.434 176.094 0.141 0.000 1.048 42 V CA 0.020 62.351 62.300 0.052 0.000 0.964 42 V CB 2.075 33.890 31.823 -0.014 0.000 1.004 42 V HN 0.831 nan 8.190 nan 0.000 0.466 43 T N 8.491 123.101 114.554 0.093 0.000 3.038 43 T HA 0.450 4.800 4.350 -0.000 0.000 0.344 43 T C -2.790 171.963 174.700 0.089 0.000 1.054 43 T CA -0.692 61.471 62.100 0.106 0.000 1.092 43 T CB 1.509 70.411 68.868 0.056 0.000 1.031 43 T HN 0.645 nan 8.240 nan 0.000 0.482 44 P HA 0.366 nan 4.420 nan 0.000 0.279 44 P C -0.484 176.852 177.300 0.059 0.000 1.282 44 P CA -0.726 62.417 63.100 0.071 0.000 0.788 44 P CB 0.652 32.382 31.700 0.049 0.000 1.139 45 Q N 0.613 120.440 119.800 0.044 0.000 2.261 45 Q HA 0.252 4.591 4.340 -0.000 0.000 0.252 45 Q C -1.693 174.326 176.000 0.033 0.000 0.915 45 Q CA -1.856 53.968 55.803 0.034 0.000 0.915 45 Q CB -0.236 28.520 28.738 0.029 0.000 1.204 45 Q HN 0.200 nan 8.270 nan 0.000 0.421 46 P HA -0.302 nan 4.420 nan 0.000 0.226 46 P C 0.325 177.639 177.300 0.024 0.000 0.981 46 P CA 2.617 65.733 63.100 0.026 0.000 1.055 46 P CB 0.052 31.762 31.700 0.016 0.000 0.721 47 G N -2.177 106.633 108.800 0.016 0.000 3.262 47 G HA2 0.220 4.180 3.960 -0.000 0.000 0.228 47 G HA3 0.220 4.180 3.960 -0.000 0.000 0.228 47 G C -0.155 174.749 174.900 0.007 0.000 1.197 47 G CA -0.051 45.056 45.100 0.011 0.000 0.819 47 G HN 0.220 nan 8.290 nan 0.000 0.531 48 V N 2.853 122.773 119.914 0.010 0.000 2.350 48 V HA 0.274 4.394 4.120 -0.000 0.000 0.276 48 V C -1.811 174.261 176.094 -0.037 0.000 1.028 48 V CA -2.066 60.231 62.300 -0.005 0.000 0.860 48 V CB 1.622 33.452 31.823 0.010 0.000 0.990 48 V HN 0.103 nan 8.190 nan 0.000 0.453 49 P HA 0.150 nan 4.420 nan 0.000 0.268 49 P C -2.161 175.013 177.300 -0.210 0.000 1.205 49 P CA -1.325 61.703 63.100 -0.121 0.000 0.771 49 P CB 0.660 32.293 31.700 -0.113 0.000 0.858 50 P HA -0.173 nan 4.420 nan 0.000 0.216 50 P C 1.260 178.299 177.300 -0.433 0.000 1.153 50 P CA 1.633 64.390 63.100 -0.571 0.000 0.848 50 P CB -0.138 30.813 31.700 -1.248 0.000 0.787 51 E N 0.421 120.340 120.200 -0.468 0.000 2.515 51 E HA -0.179 4.170 4.350 -0.000 0.000 0.201 51 E C 1.564 177.964 176.600 -0.333 0.000 1.071 51 E CA 0.959 56.987 56.400 -0.620 0.000 0.880 51 E CB -0.359 28.628 29.700 -1.189 0.000 0.828 51 E HN 0.264 nan 8.360 nan 0.000 0.540 52 E N 1.286 121.369 120.200 -0.195 0.000 2.057 52 E HA 0.185 4.535 4.350 -0.000 0.000 0.191 52 E C 2.046 178.627 176.600 -0.032 0.000 0.959 52 E CA 1.661 58.034 56.400 -0.045 0.000 0.828 52 E CB -0.511 29.190 29.700 0.003 0.000 0.800 52 E HN 0.125 nan 8.360 nan 0.000 0.460 53 A N 0.801 123.576 122.820 -0.075 0.000 1.909 53 A HA -0.267 4.053 4.320 -0.000 0.000 0.221 53 A C 2.460 179.947 177.584 -0.161 0.000 1.223 53 A CA 2.703 54.684 52.037 -0.094 0.000 0.658 53 A CB -1.843 17.091 19.000 -0.110 0.000 0.831 53 A HN 0.454 nan 8.150 nan 0.000 0.462 54 G N -1.179 107.518 108.800 -0.172 0.000 2.446 54 G HA2 -0.021 3.938 3.960 -0.000 0.000 0.217 54 G HA3 -0.021 3.938 3.960 -0.000 0.000 0.217 54 G C 1.755 176.591 174.900 -0.107 0.000 1.168 54 G CA 1.710 46.720 45.100 -0.150 0.000 0.771 54 G HN 1.022 nan 8.290 nan 0.000 0.551 55 A N 0.914 123.716 122.820 -0.030 0.000 1.929 55 A HA 0.400 4.719 4.320 -0.000 0.000 0.216 55 A C 2.792 180.277 177.584 -0.166 0.000 1.176 55 A CA 1.947 54.018 52.037 0.057 0.000 0.628 55 A CB -0.655 18.482 19.000 0.229 0.000 0.816 55 A HN 0.748 nan 8.150 nan 0.000 0.444 56 A N -0.356 122.337 122.820 -0.211 0.000 1.877 56 A HA -0.045 4.274 4.320 -0.000 0.000 0.216 56 A C 2.207 179.299 177.584 -0.820 0.000 1.186 56 A CA 1.842 53.486 52.037 -0.655 0.000 0.620 56 A CB -1.021 17.849 19.000 -0.218 0.000 0.822 56 A HN 0.387 nan 8.150 nan 0.000 0.443 57 V N -0.238 119.312 119.914 -0.608 0.000 2.332 57 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 57 V C 3.001 178.798 176.094 -0.496 0.000 1.055 57 V CA 2.070 63.978 62.300 -0.652 0.000 1.038 57 V CB -1.100 30.283 31.823 -0.733 0.000 0.651 57 V HN 0.632 nan 8.190 nan 0.000 0.450 58 A N -0.595 122.003 122.820 -0.369 0.000 1.968 58 A HA 0.089 4.409 4.320 -0.000 0.000 0.217 58 A C 2.344 179.719 177.584 -0.349 0.000 1.169 58 A CA 1.669 53.565 52.037 -0.236 0.000 0.638 58 A CB -0.498 18.445 19.000 -0.094 0.000 0.812 58 A HN 0.535 nan 8.150 nan 0.000 0.446 59 A N -0.235 122.157 122.820 -0.712 0.000 1.855 59 A HA -0.037 4.283 4.320 -0.000 0.000 0.213 59 A C 1.696 178.872 177.584 -0.681 0.000 1.195 59 A CA 1.160 52.488 52.037 -1.183 0.000 0.610 59 A CB -0.350 17.559 19.000 -1.819 0.000 0.837 59 A HN 0.415 nan 8.150 nan 0.000 0.444 60 E N 0.255 120.054 120.200 -0.668 0.000 2.526 60 E HA 0.027 4.377 4.350 -0.000 0.000 0.198 60 E C 0.769 177.232 176.600 -0.229 0.000 1.091 60 E CA 0.353 56.511 56.400 -0.403 0.000 0.880 60 E CB 0.044 29.446 29.700 -0.496 0.000 0.873 60 E HN 0.416 nan 8.360 nan 0.000 0.527 61 S N -0.783 114.810 115.700 -0.178 0.000 2.578 61 S HA 0.058 4.528 4.470 -0.000 0.000 0.228 61 S C 1.308 175.974 174.600 0.110 0.000 1.022 61 S CA 0.375 58.586 58.200 0.017 0.000 0.967 61 S CB 0.430 63.773 63.200 0.239 0.000 0.914 61 S HN 0.355 nan 8.310 nan 0.000 0.515 62 S N -0.192 115.528 115.700 0.033 0.000 4.567 62 S HA 0.081 4.551 4.470 -0.000 0.000 0.167 62 S C 1.372 175.976 174.600 0.006 0.000 1.007 62 S CA 0.608 58.847 58.200 0.064 0.000 1.212 62 S CB -0.153 63.153 63.200 0.178 0.000 1.741 62 S HN 0.330 nan 8.310 nan 0.000 0.689 63 T N -0.817 113.756 114.554 0.032 0.000 2.958 63 T HA 0.524 4.874 4.350 -0.000 0.000 0.256 63 T C 0.843 175.558 174.700 0.025 0.000 0.983 63 T CA 0.448 62.577 62.100 0.049 0.000 0.924 63 T CB 0.258 69.224 68.868 0.164 0.000 1.136 63 T HN 0.732 nan 8.240 nan 0.000 0.506 64 G N 0.235 108.996 108.800 -0.065 0.000 2.552 64 G HA2 0.585 4.545 3.960 -0.000 0.000 0.324 64 G HA3 0.585 4.545 3.960 -0.000 0.000 0.324 64 G C -0.890 174.000 174.900 -0.018 0.000 1.217 64 G CA -0.318 44.770 45.100 -0.020 0.000 0.989 64 G HN 0.255 nan 8.290 nan 0.000 0.490 65 T N -1.607 113.005 114.554 0.097 0.000 2.718 65 T HA 0.410 4.760 4.350 -0.000 0.000 0.267 65 T C 0.564 175.481 174.700 0.362 0.000 0.957 65 T CA -0.424 61.794 62.100 0.197 0.000 1.025 65 T CB 0.840 69.765 68.868 0.095 0.000 1.355 65 T HN 0.685 nan 8.240 nan 0.000 0.572 66 W N 0.859 122.308 121.300 0.248 0.000 3.047 66 W HA 0.326 4.986 4.660 -0.000 0.000 0.250 66 W C 0.287 176.844 176.519 0.062 0.000 1.314 66 W CA 0.282 57.727 57.345 0.166 0.000 1.540 66 W CB -0.960 28.575 29.460 0.124 0.000 1.127 66 W HN 0.569 nan 8.180 nan 0.000 0.679 67 T N 0.413 114.601 114.554 -0.611 0.000 2.696 67 T HA 0.390 4.739 4.350 -0.000 0.000 0.291 67 T C -0.641 173.884 174.700 -0.292 0.000 1.095 67 T CA -0.241 61.492 62.100 -0.612 0.000 1.026 67 T CB 1.762 69.775 68.868 -1.425 0.000 1.390 67 T HN -0.237 nan 8.240 nan 0.000 0.513 68 T N 2.015 116.499 114.554 -0.116 0.000 2.767 68 T HA 0.574 4.924 4.350 -0.000 0.000 0.288 68 T C -0.246 174.564 174.700 0.182 0.000 0.963 68 T CA -0.443 61.706 62.100 0.081 0.000 1.019 68 T CB 0.477 69.439 68.868 0.156 0.000 0.923 68 T HN 0.705 nan 8.240 nan 0.000 0.468 69 V N 3.632 123.548 119.914 0.004 0.000 2.459 69 V HA 0.478 4.597 4.120 -0.000 0.000 0.295 69 V C 1.311 177.135 176.094 -0.449 0.000 1.029 69 V CA -1.087 61.079 62.300 -0.225 0.000 0.874 69 V CB 1.170 32.825 31.823 -0.280 0.000 0.985 69 V HN 1.044 nan 8.190 nan 0.000 0.438 70 W N 3.114 123.799 121.300 -1.026 0.000 2.350 70 W HA -0.183 4.477 4.660 0.000 0.000 0.289 70 W C 1.684 177.978 176.519 -0.375 0.000 1.215 70 W CA 2.049 58.833 57.345 -0.935 0.000 1.236 70 W CB -1.889 26.829 29.460 -1.237 0.000 1.130 70 W HN 0.813 nan 8.180 nan 0.000 0.541 71 T N -0.408 113.498 114.554 -1.080 0.000 2.792 71 T HA -0.331 4.018 4.350 -0.000 0.000 0.268 71 T C 1.146 175.633 174.700 -0.355 0.000 1.059 71 T CA 2.083 63.633 62.100 -0.918 0.000 1.136 71 T CB -0.786 67.472 68.868 -1.016 0.000 0.846 71 T HN 0.003 nan 8.240 nan 0.000 0.489 72 D N 1.993 122.244 120.400 -0.248 0.000 2.158 72 D HA -0.024 4.616 4.640 -0.000 0.000 0.197 72 D C 2.298 178.581 176.300 -0.030 0.000 0.995 72 D CA 1.443 55.386 54.000 -0.094 0.000 0.846 72 D CB -1.046 39.733 40.800 -0.035 0.000 0.941 72 D HN 0.635 nan 8.370 nan 0.000 0.456 73 G N -0.235 108.567 108.800 0.004 0.000 2.708 73 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.210 73 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.210 73 G C 1.365 176.299 174.900 0.058 0.000 1.141 73 G CA 0.024 45.159 45.100 0.058 0.000 0.788 73 G HN 0.153 nan 8.290 nan 0.000 0.531 74 L N -0.354 120.882 121.223 0.021 0.000 2.249 74 L HA 0.264 4.604 4.340 -0.000 0.000 0.207 74 L C 1.837 178.723 176.870 0.026 0.000 1.090 74 L CA 1.059 55.916 54.840 0.029 0.000 0.802 74 L CB -0.009 42.033 42.059 -0.028 0.000 0.947 74 L HN 0.219 nan 8.230 nan 0.000 0.453 75 T N -2.464 112.106 114.554 0.025 0.000 2.708 75 T HA 0.527 4.877 4.350 -0.000 0.000 0.256 75 T C -0.602 174.151 174.700 0.088 0.000 0.946 75 T CA 0.042 62.187 62.100 0.076 0.000 1.039 75 T CB 1.204 70.123 68.868 0.085 0.000 1.557 75 T HN 0.104 nan 8.240 nan 0.000 0.576 76 S N 1.500 117.285 115.700 0.142 0.000 2.775 76 S HA 0.363 4.832 4.470 -0.000 0.000 0.277 76 S C 0.992 175.635 174.600 0.072 0.000 1.156 76 S CA -0.850 57.391 58.200 0.068 0.000 1.081 76 S CB 0.489 63.699 63.200 0.016 0.000 1.054 76 S HN 0.599 nan 8.310 nan 0.000 0.482 77 L N 1.918 123.177 121.223 0.060 0.000 2.349 77 L HA -0.100 4.239 4.340 -0.000 0.000 0.220 77 L C 1.613 178.464 176.870 -0.032 0.000 1.130 77 L CA 1.341 56.212 54.840 0.053 0.000 0.791 77 L CB -0.776 41.288 42.059 0.007 0.000 0.918 77 L HN 0.717 nan 8.230 nan 0.000 0.444 78 D N -0.074 120.286 120.400 -0.066 0.000 2.219 78 D HA -0.166 4.474 4.640 -0.000 0.000 0.205 78 D C 2.243 178.466 176.300 -0.129 0.000 0.970 78 D CA 0.928 54.874 54.000 -0.091 0.000 0.851 78 D CB 0.124 40.883 40.800 -0.069 0.000 0.943 78 D HN 0.336 nan 8.370 nan 0.000 0.488 79 R N -0.724 119.638 120.500 -0.230 0.000 2.075 79 R HA -0.063 4.277 4.340 -0.000 0.000 0.226 79 R C 1.747 177.769 176.300 -0.463 0.000 1.114 79 R CA 0.904 56.735 56.100 -0.450 0.000 0.972 79 R CB 0.131 29.807 30.300 -1.041 0.000 0.869 79 R HN 0.217 nan 8.270 nan 0.000 0.437 80 Y N 0.670 120.964 120.300 -0.011 0.000 2.479 80 Y HA 0.099 4.648 4.550 -0.001 0.000 0.283 80 Y C 0.313 176.217 175.900 0.006 0.000 1.109 80 Y CA -0.250 57.843 58.100 -0.011 0.000 1.239 80 Y CB -0.176 38.273 38.460 -0.019 0.000 1.108 80 Y HN -0.108 nan 8.280 nan 0.000 0.548 81 K N 1.354 121.833 120.400 0.132 0.000 2.527 81 K HA 0.226 4.546 4.320 -0.000 0.000 0.278 81 K C 0.629 177.283 176.600 0.092 0.000 0.981 81 K CA 0.400 56.779 56.287 0.153 0.000 1.009 81 K CB 0.292 32.788 32.500 -0.007 0.000 0.895 81 K HN 0.157 nan 8.250 nan 0.000 0.493 82 G N 1.876 110.783 108.800 0.178 0.000 2.539 82 G HA2 0.321 4.281 3.960 -0.000 0.000 0.258 82 G HA3 0.321 4.281 3.960 -0.000 0.000 0.258 82 G C -0.803 174.070 174.900 -0.044 0.000 1.202 82 G CA -1.004 44.087 45.100 -0.016 0.000 0.851 82 G HN 0.845 nan 8.290 nan 0.000 0.556 83 R N -0.084 120.290 120.500 -0.210 0.000 2.522 83 R HA 0.323 4.663 4.340 -0.000 0.000 0.273 83 R C -1.509 174.776 176.300 -0.025 0.000 1.133 83 R CA -0.753 55.268 56.100 -0.133 0.000 0.969 83 R CB 0.577 30.686 30.300 -0.318 0.000 1.235 83 R HN 0.491 nan 8.270 nan 0.000 0.433 84 C N 6.151 125.494 119.300 0.072 0.000 2.573 84 C HA 0.216 4.676 4.460 -0.000 0.000 0.369 84 C C 0.591 175.673 174.990 0.154 0.000 1.205 84 C CA -0.429 58.680 59.018 0.151 0.000 1.535 84 C CB -1.761 26.108 27.740 0.216 0.000 2.159 84 C HN 0.865 nan 8.230 nan 0.000 0.558 85 Y N 4.862 125.202 120.300 0.067 0.000 2.571 85 Y HA 0.429 4.979 4.550 -0.000 0.000 0.275 85 Y C 0.505 176.451 175.900 0.076 0.000 1.179 85 Y CA -0.770 57.347 58.100 0.028 0.000 1.242 85 Y CB -0.423 38.106 38.460 0.116 0.000 1.126 85 Y HN 0.711 nan 8.280 nan 0.000 0.524 86 R N -0.409 119.986 120.500 -0.175 0.000 4.106 86 R HA 0.376 4.716 4.340 -0.000 0.000 0.252 86 R C -2.269 174.067 176.300 0.061 0.000 0.977 86 R CA -0.685 55.368 56.100 -0.078 0.000 1.118 86 R CB -0.182 29.967 30.300 -0.252 0.000 1.237 86 R HN 0.235 nan 8.270 nan 0.000 0.587 87 I N 1.072 121.707 120.570 0.109 0.000 2.740 87 I HA 0.551 4.721 4.170 -0.000 0.000 0.303 87 I C -0.420 175.788 176.117 0.151 0.000 1.044 87 I CA -1.024 60.349 61.300 0.121 0.000 1.064 87 I CB 2.433 40.417 38.000 -0.027 0.000 1.249 87 I HN 0.647 nan 8.210 nan 0.000 0.433 88 E N 2.793 123.138 120.200 0.242 0.000 2.372 88 E HA 0.425 4.774 4.350 -0.000 0.000 0.279 88 E C -1.326 175.448 176.600 0.290 0.000 0.946 88 E CA -0.957 55.573 56.400 0.217 0.000 0.769 88 E CB 3.026 32.847 29.700 0.202 0.000 1.230 88 E HN 0.435 nan 8.360 nan 0.000 0.442 89 R N 0.692 121.306 120.500 0.189 0.000 2.459 89 R HA 0.357 4.697 4.340 -0.000 0.000 0.281 89 R C -0.561 175.733 176.300 -0.010 0.000 1.050 89 R CA -0.508 55.623 56.100 0.050 0.000 1.055 89 R CB 1.113 31.403 30.300 -0.017 0.000 1.045 89 R HN 0.184 nan 8.270 nan 0.000 0.495 90 V N 4.281 124.122 119.914 -0.122 0.000 2.356 90 V HA 0.023 4.143 4.120 -0.000 0.000 0.258 90 V C 0.316 176.367 176.094 -0.071 0.000 1.065 90 V CA -0.317 61.944 62.300 -0.065 0.000 0.935 90 V CB 1.078 32.856 31.823 -0.075 0.000 1.061 90 V HN 0.490 nan 8.190 nan 0.000 0.484 91 V N 6.837 126.730 119.914 -0.034 0.000 2.557 91 V HA 0.417 4.537 4.120 -0.000 0.000 0.301 91 V C 1.133 177.208 176.094 -0.031 0.000 1.026 91 V CA 1.001 63.282 62.300 -0.030 0.000 1.137 91 V CB 0.194 32.006 31.823 -0.018 0.000 0.917 91 V HN 1.437 nan 8.190 nan 0.000 0.484 92 G N 4.533 113.311 108.800 -0.036 0.000 2.415 92 G HA2 -0.148 3.811 3.960 -0.000 0.000 0.283 92 G HA3 -0.148 3.811 3.960 -0.000 0.000 0.283 92 G C -0.415 174.461 174.900 -0.039 0.000 1.014 92 G CA 0.605 45.686 45.100 -0.031 0.000 1.323 92 G HN 1.348 nan 8.290 nan 0.000 0.502 93 E N -0.524 119.638 120.200 -0.063 0.000 2.451 93 E HA 0.454 4.803 4.350 -0.000 0.000 0.295 93 E C -0.196 176.339 176.600 -0.108 0.000 0.966 93 E CA -0.991 55.364 56.400 -0.075 0.000 0.808 93 E CB 0.699 30.353 29.700 -0.077 0.000 1.242 93 E HN 0.247 nan 8.360 nan 0.000 0.412 94 K N 2.255 122.611 120.400 -0.074 0.000 2.405 94 K HA -0.023 4.297 4.320 -0.000 0.000 0.273 94 K C -0.571 175.964 176.600 -0.108 0.000 1.116 94 K CA 0.457 56.705 56.287 -0.065 0.000 1.155 94 K CB -0.208 32.272 32.500 -0.034 0.000 0.858 94 K HN 0.512 nan 8.250 nan 0.000 0.477 95 D N 2.611 122.936 120.400 -0.126 0.000 3.498 95 D HA -0.253 4.387 4.640 -0.000 0.000 0.192 95 D C -0.672 175.474 176.300 -0.257 0.000 1.262 95 D CA 1.057 54.948 54.000 -0.182 0.000 0.658 95 D CB -0.187 40.618 40.800 0.009 0.000 0.962 95 D HN 0.454 nan 8.370 nan 0.000 0.432 96 Q N 1.020 120.534 119.800 -0.476 0.000 2.356 96 Q HA 0.523 4.863 4.340 -0.000 0.000 0.270 96 Q C -1.405 174.252 176.000 -0.572 0.000 1.058 96 Q CA -0.852 54.764 55.803 -0.311 0.000 0.802 96 Q CB 1.141 29.804 28.738 -0.124 0.000 1.303 96 Q HN 0.270 nan 8.270 nan 0.000 0.444 97 Y N 1.353 121.663 120.300 0.017 0.000 2.638 97 Y HA 0.502 5.052 4.550 -0.000 0.000 0.339 97 Y C -0.440 175.485 175.900 0.041 0.000 1.084 97 Y CA -1.212 56.906 58.100 0.031 0.000 1.068 97 Y CB 1.422 39.891 38.460 0.016 0.000 1.294 97 Y HN 0.466 nan 8.280 nan 0.000 0.480 98 I N 2.274 123.012 120.570 0.280 0.000 2.337 98 I HA 0.436 4.606 4.170 -0.000 0.000 0.285 98 I C 0.090 176.333 176.117 0.209 0.000 1.041 98 I CA -0.923 60.490 61.300 0.187 0.000 1.199 98 I CB 0.095 38.231 38.000 0.228 0.000 1.370 98 I HN 0.663 nan 8.210 nan 0.000 0.470 99 A N 6.932 129.830 122.820 0.131 0.000 2.327 99 A HA 0.631 4.951 4.320 -0.000 0.000 0.283 99 A C -1.217 176.445 177.584 0.130 0.000 1.127 99 A CA -0.195 51.926 52.037 0.140 0.000 0.810 99 A CB 0.332 19.363 19.000 0.052 0.000 1.066 99 A HN 0.480 nan 8.150 nan 0.000 0.492 100 Y N 1.087 121.372 120.300 -0.024 0.000 2.335 100 Y HA 0.502 5.052 4.550 -0.000 0.000 0.338 100 Y C 0.010 175.909 175.900 -0.002 0.000 0.977 100 Y CA -0.682 57.389 58.100 -0.048 0.000 1.114 100 Y CB 1.978 40.179 38.460 -0.432 0.000 1.182 100 Y HN 0.431 nan 8.280 nan 0.000 0.463 101 V N 2.269 122.402 119.914 0.364 0.000 2.680 101 V HA 0.881 5.001 4.120 -0.000 0.000 0.309 101 V C -0.397 175.830 176.094 0.223 0.000 1.052 101 V CA -1.233 61.221 62.300 0.256 0.000 0.908 101 V CB 1.742 33.591 31.823 0.043 0.000 1.001 101 V HN 0.830 nan 8.190 nan 0.000 0.431 102 A N 3.260 126.084 122.820 0.006 0.000 2.303 102 A HA 0.853 5.173 4.320 -0.000 0.000 0.320 102 A C -1.546 175.885 177.584 -0.256 0.000 1.192 102 A CA -0.375 51.604 52.037 -0.096 0.000 0.821 102 A CB 0.599 19.491 19.000 -0.179 0.000 1.188 102 A HN 0.723 nan 8.150 nan 0.000 0.492 103 Y N 3.175 123.542 120.300 0.113 0.000 2.326 103 Y HA 0.439 4.989 4.550 -0.000 0.000 0.331 103 Y C -2.272 173.744 175.900 0.194 0.000 0.962 103 Y CA -2.687 55.514 58.100 0.168 0.000 1.167 103 Y CB 1.908 40.575 38.460 0.345 0.000 1.148 103 Y HN 0.494 nan 8.280 nan 0.000 0.463 104 P HA -0.005 nan 4.420 nan 0.000 0.271 104 P C 0.857 178.307 177.300 0.250 0.000 1.216 104 P CA -0.248 62.968 63.100 0.193 0.000 0.776 104 P CB 1.331 33.097 31.700 0.110 0.000 0.881 105 L N 3.411 124.766 121.223 0.219 0.000 2.021 105 L HA -0.255 4.084 4.340 -0.000 0.000 0.215 105 L C 1.544 178.546 176.870 0.220 0.000 1.074 105 L CA 2.118 57.101 54.840 0.239 0.000 0.760 105 L CB -1.502 40.649 42.059 0.153 0.000 0.889 105 L HN 0.311 nan 8.230 nan 0.000 0.433 106 D N -0.968 119.529 120.400 0.162 0.000 2.292 106 D HA -0.238 4.402 4.640 -0.000 0.000 0.205 106 D C 2.179 178.514 176.300 0.060 0.000 0.994 106 D CA 1.106 55.203 54.000 0.161 0.000 0.897 106 D CB -0.197 40.781 40.800 0.296 0.000 0.907 106 D HN 0.396 nan 8.370 nan 0.000 0.467 107 L N -1.125 120.041 121.223 -0.095 0.000 2.313 107 L HA 0.025 4.365 4.340 -0.000 0.000 0.214 107 L C 0.146 176.660 176.870 -0.594 0.000 1.119 107 L CA 0.238 54.813 54.840 -0.441 0.000 0.809 107 L CB -0.058 41.533 42.059 -0.779 0.000 0.933 107 L HN -0.073 nan 8.230 nan 0.000 0.449 108 F N -0.294 119.623 119.950 -0.055 0.000 2.443 108 F HA 0.311 4.837 4.527 -0.000 0.000 0.335 108 F C 0.584 176.431 175.800 0.078 0.000 1.104 108 F CA -1.155 56.816 58.000 -0.049 0.000 1.013 108 F CB 0.880 39.713 39.000 -0.279 0.000 1.136 108 F HN -0.178 nan 8.300 nan 0.000 0.470 109 E N 1.943 122.308 120.200 0.274 0.000 2.344 109 E HA 0.107 4.457 4.350 -0.000 0.000 0.270 109 E C -0.687 176.070 176.600 0.261 0.000 1.021 109 E CA -0.487 56.024 56.400 0.184 0.000 0.887 109 E CB 0.597 30.358 29.700 0.102 0.000 0.997 109 E HN 0.531 nan 8.360 nan 0.000 0.429 110 E N 2.180 122.460 120.200 0.133 0.000 2.415 110 E HA 0.208 4.558 4.350 -0.000 0.000 0.262 110 E C 1.020 177.416 176.600 -0.341 0.000 1.038 110 E CA 1.154 57.529 56.400 -0.041 0.000 0.921 110 E CB 0.653 30.320 29.700 -0.055 0.000 0.950 110 E HN 0.796 nan 8.360 nan 0.000 0.438 111 G N 2.155 110.358 108.800 -0.995 0.000 2.205 111 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.269 111 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.269 111 G C 0.560 175.066 174.900 -0.658 0.000 0.977 111 G CA 0.774 45.149 45.100 -1.208 0.000 0.652 111 G HN 0.495 nan 8.290 nan 0.000 0.539 112 S N -0.035 115.524 115.700 -0.235 0.000 2.543 112 S HA 0.509 4.978 4.470 -0.000 0.000 0.299 112 S C 1.642 176.325 174.600 0.139 0.000 1.125 112 S CA 0.095 58.305 58.200 0.017 0.000 1.098 112 S CB 0.913 64.139 63.200 0.043 0.000 1.063 112 S HN 0.462 nan 8.310 nan 0.000 0.493 113 V N 4.581 124.542 119.914 0.079 0.000 2.324 113 V HA -0.175 3.944 4.120 -0.000 0.000 0.250 113 V C 2.551 178.469 176.094 -0.292 0.000 1.060 113 V CA 2.530 64.676 62.300 -0.257 0.000 1.042 113 V CB -1.041 30.323 31.823 -0.765 0.000 0.650 113 V HN 0.798 nan 8.190 nan 0.000 0.450 114 T N -0.103 114.363 114.554 -0.147 0.000 2.721 114 T HA -0.272 4.078 4.350 -0.000 0.000 0.268 114 T C 1.850 176.598 174.700 0.080 0.000 1.038 114 T CA 1.946 64.052 62.100 0.011 0.000 1.145 114 T CB -0.466 68.450 68.868 0.080 0.000 0.858 114 T HN 0.596 nan 8.240 nan 0.000 0.459 115 N N 0.603 119.361 118.700 0.097 0.000 2.083 115 N HA -0.069 4.671 4.740 -0.000 0.000 0.190 115 N C 2.134 177.773 175.510 0.215 0.000 1.047 115 N CA 1.303 54.440 53.050 0.146 0.000 0.845 115 N CB -0.278 38.307 38.487 0.164 0.000 1.025 115 N HN 0.339 nan 8.380 nan 0.000 0.428 116 M N 0.119 119.879 119.600 0.267 0.000 2.151 116 M HA -0.261 4.219 4.480 -0.000 0.000 0.256 116 M C 1.821 178.299 176.300 0.296 0.000 1.072 116 M CA 1.951 57.412 55.300 0.267 0.000 1.090 116 M CB -0.298 32.351 32.600 0.082 0.000 1.294 116 M HN 0.105 nan 8.290 nan 0.000 0.415 117 F N 0.512 120.447 119.950 -0.025 0.000 2.171 117 F HA -0.156 4.371 4.527 -0.000 0.000 0.300 117 F C 2.612 178.422 175.800 0.017 0.000 1.090 117 F CA 1.779 59.766 58.000 -0.022 0.000 1.293 117 F CB -1.550 37.447 39.000 -0.005 0.000 1.013 117 F HN 0.242 nan 8.300 nan 0.000 0.486 118 T N -0.845 113.848 114.554 0.233 0.000 2.720 118 T HA -0.163 4.186 4.350 -0.000 0.000 0.268 118 T C 2.316 177.068 174.700 0.087 0.000 1.037 118 T CA 1.694 63.875 62.100 0.134 0.000 1.144 118 T CB -0.350 68.580 68.868 0.104 0.000 0.864 118 T HN 0.156 nan 8.240 nan 0.000 0.444 119 S N 1.089 116.836 115.700 0.078 0.000 2.326 119 S HA 0.085 4.555 4.470 -0.000 0.000 0.211 119 S C 2.052 176.660 174.600 0.012 0.000 1.031 119 S CA 0.762 58.965 58.200 0.006 0.000 0.985 119 S CB -0.474 62.671 63.200 -0.091 0.000 0.961 119 S HN 0.352 nan 8.310 nan 0.000 0.436 120 I N 1.094 121.652 120.570 -0.021 0.000 2.399 120 I HA -0.106 4.064 4.170 -0.000 0.000 0.254 120 I C 1.245 177.474 176.117 0.188 0.000 1.146 120 I CA 0.935 62.253 61.300 0.030 0.000 1.412 120 I CB -0.029 37.908 38.000 -0.104 0.000 1.076 120 I HN 0.119 nan 8.210 nan 0.000 0.432 121 V N -0.507 119.445 119.914 0.063 0.000 3.382 121 V HA 0.232 4.352 4.120 -0.000 0.000 0.296 121 V C 1.845 177.927 176.094 -0.021 0.000 1.529 121 V CA 0.615 62.912 62.300 -0.005 0.000 1.048 121 V CB 0.551 32.162 31.823 -0.355 0.000 0.878 121 V HN 0.406 nan 8.190 nan 0.000 0.442 122 G N 1.203 110.027 108.800 0.039 0.000 2.511 122 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.216 122 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.216 122 G C 1.215 176.162 174.900 0.078 0.000 1.218 122 G CA 1.368 46.498 45.100 0.049 0.000 0.788 122 G HN 0.519 nan 8.290 nan 0.000 0.560 123 N N -0.332 118.435 118.700 0.112 0.000 2.397 123 N HA 0.008 4.747 4.740 -0.000 0.000 0.190 123 N C 2.414 178.082 175.510 0.263 0.000 1.099 123 N CA 0.913 54.071 53.050 0.181 0.000 0.876 123 N CB 0.228 38.839 38.487 0.206 0.000 1.143 123 N HN 0.284 nan 8.380 nan 0.000 0.468 124 V N -0.501 119.490 119.914 0.128 0.000 2.324 124 V HA -0.208 3.912 4.120 -0.000 0.000 0.250 124 V C 1.757 177.965 176.094 0.191 0.000 1.060 124 V CA 1.503 63.773 62.300 -0.050 0.000 1.042 124 V CB -1.350 30.302 31.823 -0.286 0.000 0.650 124 V HN -0.049 nan 8.190 nan 0.000 0.450 125 F N 2.526 122.495 119.950 0.032 0.000 2.449 125 F HA 0.165 4.692 4.527 -0.000 0.000 0.299 125 F C 2.201 178.128 175.800 0.211 0.000 1.092 125 F CA 1.151 59.206 58.000 0.091 0.000 1.446 125 F CB -1.024 37.971 39.000 -0.009 0.000 1.084 125 F HN 0.395 nan 8.300 nan 0.000 0.567 126 G N -2.014 107.021 108.800 0.391 0.000 3.453 126 G HA2 0.091 4.051 3.960 -0.000 0.000 0.263 126 G HA3 0.091 4.051 3.960 -0.000 0.000 0.263 126 G C 0.093 175.141 174.900 0.245 0.000 1.060 126 G CA -0.236 45.033 45.100 0.282 0.000 0.793 126 G HN -0.015 nan 8.290 nan 0.000 0.532 127 F N 1.171 121.148 119.950 0.044 0.000 2.563 127 F HA 0.212 4.738 4.527 -0.000 0.000 0.363 127 F C 1.754 177.563 175.800 0.016 0.000 1.123 127 F CA 0.064 58.076 58.000 0.019 0.000 1.307 127 F CB 1.153 40.148 39.000 -0.009 0.000 1.115 127 F HN -0.050 nan 8.300 nan 0.000 0.592 128 K N 2.561 122.874 120.400 -0.144 0.000 2.057 128 K HA -0.134 4.185 4.320 -0.000 0.000 0.207 128 K C 2.027 178.648 176.600 0.034 0.000 1.049 128 K CA 1.297 57.553 56.287 -0.051 0.000 0.931 128 K CB -0.221 32.218 32.500 -0.102 0.000 0.714 128 K HN 0.734 nan 8.250 nan 0.000 0.440 129 A N 0.737 123.613 122.820 0.093 0.000 2.186 129 A HA -0.062 4.258 4.320 -0.000 0.000 0.219 129 A C 0.652 178.298 177.584 0.103 0.000 1.159 129 A CA 1.049 53.155 52.037 0.116 0.000 0.680 129 A CB -0.478 18.636 19.000 0.189 0.000 0.787 129 A HN 0.152 nan 8.150 nan 0.000 0.467 130 L N -2.454 118.838 121.223 0.114 0.000 2.319 130 L HA 0.543 4.883 4.340 -0.000 0.000 0.267 130 L C 1.135 178.040 176.870 0.058 0.000 1.011 130 L CA -0.874 54.008 54.840 0.070 0.000 0.818 130 L CB 1.874 43.960 42.059 0.045 0.000 1.316 130 L HN 0.343 nan 8.230 nan 0.000 0.432 131 R N 0.538 121.063 120.500 0.041 0.000 2.344 131 R HA 0.690 5.030 4.340 -0.000 0.000 0.209 131 R C 0.017 176.320 176.300 0.005 0.000 0.886 131 R CA 0.147 56.258 56.100 0.017 0.000 1.040 131 R CB 0.629 30.935 30.300 0.009 0.000 1.114 131 R HN 0.534 nan 8.270 nan 0.000 0.547 132 A N 0.949 123.802 122.820 0.056 0.000 2.589 132 A HA 0.683 5.002 4.320 -0.000 0.000 0.296 132 A C -2.096 175.578 177.584 0.150 0.000 1.062 132 A CA -0.706 51.426 52.037 0.158 0.000 0.686 132 A CB 1.929 21.000 19.000 0.118 0.000 1.282 132 A HN 0.110 nan 8.150 nan 0.000 0.404 133 L N 0.992 122.355 121.223 0.234 0.000 2.472 133 L HA 0.948 5.288 4.340 -0.000 0.000 0.260 133 L C -0.698 175.928 176.870 -0.407 0.000 0.963 133 L CA -0.225 54.413 54.840 -0.336 0.000 0.829 133 L CB 2.128 43.717 42.059 -0.783 0.000 1.348 133 L HN 0.977 nan 8.230 nan 0.000 0.408 134 R N 3.794 124.153 120.500 -0.234 0.000 2.522 134 R HA 0.652 4.992 4.340 -0.000 0.000 0.283 134 R C -2.144 174.222 176.300 0.111 0.000 1.074 134 R CA -0.696 55.432 56.100 0.047 0.000 0.925 134 R CB 1.458 31.815 30.300 0.096 0.000 1.205 134 R HN 0.662 nan 8.270 nan 0.000 0.436 135 L N 3.811 125.179 121.223 0.240 0.000 2.281 135 L HA 0.359 4.699 4.340 -0.000 0.000 0.285 135 L C 0.363 177.177 176.870 -0.094 0.000 1.074 135 L CA 0.493 55.312 54.840 -0.035 0.000 0.817 135 L CB 1.279 43.307 42.059 -0.053 0.000 1.168 135 L HN 0.830 nan 8.230 nan 0.000 0.434 136 E N 2.083 122.127 120.200 -0.260 0.000 2.201 136 E HA 0.133 4.482 4.350 -0.000 0.000 0.193 136 E C -0.327 176.089 176.600 -0.307 0.000 0.957 136 E CA 0.442 56.642 56.400 -0.335 0.000 0.858 136 E CB 0.396 29.681 29.700 -0.692 0.000 0.816 136 E HN 0.708 nan 8.360 nan 0.000 0.475 137 D N -1.140 119.075 120.400 -0.309 0.000 2.623 137 D HA 0.396 5.036 4.640 -0.000 0.000 0.241 137 D C -1.565 174.776 176.300 0.069 0.000 1.241 137 D CA -0.482 53.487 54.000 -0.052 0.000 0.788 137 D CB 1.335 42.101 40.800 -0.056 0.000 1.413 137 D HN -0.144 nan 8.370 nan 0.000 0.429 138 L N 1.493 122.749 121.223 0.055 0.000 2.438 138 L HA 0.497 4.837 4.340 -0.000 0.000 0.270 138 L C -0.117 176.593 176.870 -0.266 0.000 0.972 138 L CA -0.761 54.000 54.840 -0.132 0.000 0.831 138 L CB 2.254 44.226 42.059 -0.145 0.000 1.273 138 L HN 0.216 nan 8.230 nan 0.000 0.405 139 R N 4.516 124.639 120.500 -0.629 0.000 2.205 139 R HA 0.416 4.756 4.340 -0.000 0.000 0.342 139 R C -0.867 175.192 176.300 -0.403 0.000 1.058 139 R CA -0.604 55.135 56.100 -0.601 0.000 0.904 139 R CB 0.493 30.261 30.300 -0.887 0.000 1.089 139 R HN 0.456 nan 8.270 nan 0.000 0.471 140 I N 7.470 127.823 120.570 -0.362 0.000 2.312 140 I HA 0.272 4.441 4.170 -0.000 0.000 0.291 140 I C -1.899 174.089 176.117 -0.215 0.000 1.031 140 I CA -2.768 58.374 61.300 -0.263 0.000 1.293 140 I CB 1.001 38.844 38.000 -0.261 0.000 1.403 140 I HN 0.366 nan 8.210 nan 0.000 0.484 141 P HA 0.242 nan 4.420 nan 0.000 0.274 141 P C -2.318 174.986 177.300 0.007 0.000 1.231 141 P CA -1.533 61.532 63.100 -0.059 0.000 0.790 141 P CB 0.492 32.180 31.700 -0.020 0.000 0.951 142 P HA -0.200 nan 4.420 nan 0.000 0.216 142 P C 1.448 178.801 177.300 0.089 0.000 1.150 142 P CA 2.269 65.398 63.100 0.049 0.000 0.843 142 P CB -0.440 31.290 31.700 0.050 0.000 0.787 143 A N -2.489 120.388 122.820 0.096 0.000 2.121 143 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 143 A C 1.981 179.690 177.584 0.208 0.000 1.154 143 A CA 1.228 53.342 52.037 0.127 0.000 0.679 143 A CB -1.425 17.644 19.000 0.114 0.000 0.795 143 A HN 0.216 nan 8.150 nan 0.000 0.458 144 Y N -1.312 119.031 120.300 0.071 0.000 2.535 144 Y HA 0.164 4.714 4.550 -0.000 0.000 0.266 144 Y C 2.035 178.101 175.900 0.277 0.000 1.088 144 Y CA 0.482 58.670 58.100 0.147 0.000 1.285 144 Y CB 0.174 38.672 38.460 0.062 0.000 1.166 144 Y HN 0.013 nan 8.280 nan 0.000 0.525 145 V N 0.897 120.905 119.914 0.156 0.000 2.261 145 V HA -0.280 3.839 4.120 -0.000 0.000 0.246 145 V C 2.143 178.350 176.094 0.188 0.000 1.047 145 V CA 1.990 64.369 62.300 0.132 0.000 1.015 145 V CB -0.428 31.482 31.823 0.145 0.000 0.642 145 V HN 0.183 nan 8.190 nan 0.000 0.446 146 K N 0.621 121.098 120.400 0.128 0.000 2.520 146 K HA -0.114 4.206 4.320 -0.000 0.000 0.197 146 K C 1.902 178.526 176.600 0.040 0.000 1.043 146 K CA 1.519 57.857 56.287 0.086 0.000 0.944 146 K CB -0.899 31.638 32.500 0.061 0.000 0.770 146 K HN 0.763 nan 8.250 nan 0.000 0.480 147 T N -2.305 112.252 114.554 0.005 0.000 3.107 147 T HA 0.143 4.493 4.350 -0.000 0.000 0.249 147 T C 0.370 174.826 174.700 -0.407 0.000 1.096 147 T CA -0.312 61.659 62.100 -0.215 0.000 1.012 147 T CB -0.213 68.473 68.868 -0.303 0.000 0.977 147 T HN -0.174 nan 8.240 nan 0.000 0.527 148 F N 1.007 120.863 119.950 -0.157 0.000 2.523 148 F HA 0.508 5.034 4.527 -0.000 0.000 0.329 148 F C 1.500 177.252 175.800 -0.080 0.000 1.061 148 F CA -1.451 56.473 58.000 -0.127 0.000 0.967 148 F CB 2.010 40.917 39.000 -0.155 0.000 1.218 148 F HN -0.094 nan 8.300 nan 0.000 0.480 149 Q N 1.630 121.498 119.800 0.114 0.000 2.123 149 Q HA 0.293 4.633 4.340 -0.000 0.000 0.196 149 Q C 0.983 177.001 176.000 0.029 0.000 0.958 149 Q CA 1.117 56.940 55.803 0.033 0.000 0.841 149 Q CB 0.044 28.792 28.738 0.017 0.000 0.915 149 Q HN 0.992 nan 8.270 nan 0.000 0.455 150 G N 0.604 109.439 108.800 0.058 0.000 2.584 150 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.229 150 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.229 150 G C -2.600 172.252 174.900 -0.080 0.000 1.320 150 G CA -0.386 44.686 45.100 -0.046 0.000 0.891 150 G HN 0.361 nan 8.290 nan 0.000 0.573 151 P HA 0.276 nan 4.420 nan 0.000 0.268 151 P C -1.783 175.419 177.300 -0.163 0.000 1.205 151 P CA -0.818 62.204 63.100 -0.131 0.000 0.771 151 P CB 0.501 32.124 31.700 -0.127 0.000 0.858 152 P HA -0.214 nan 4.420 nan 0.000 0.216 152 P C 0.896 177.703 177.300 -0.822 0.000 1.157 152 P CA 2.027 64.865 63.100 -0.437 0.000 0.880 152 P CB -0.033 31.477 31.700 -0.318 0.000 0.791 153 H N -4.093 114.949 119.070 -0.046 0.000 2.348 153 H HA 0.321 4.877 4.556 -0.000 0.000 0.233 153 H C 1.163 176.476 175.328 -0.026 0.000 0.889 153 H CA 0.895 56.924 56.048 -0.032 0.000 1.034 153 H CB 0.044 29.791 29.762 -0.024 0.000 1.393 153 H HN 0.118 nan 8.280 nan 0.000 0.422 154 G N 1.579 110.427 108.800 0.079 0.000 2.787 154 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.685 154 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.685 154 G C 0.953 175.895 174.900 0.069 0.000 1.437 154 G CA -0.005 45.117 45.100 0.037 0.000 0.872 154 G HN 0.218 nan 8.290 nan 0.000 0.566 155 I N 0.196 120.798 120.570 0.054 0.000 2.121 155 I HA -0.379 3.791 4.170 -0.000 0.000 0.243 155 I C 2.897 179.057 176.117 0.073 0.000 1.047 155 I CA 2.771 64.110 61.300 0.065 0.000 1.308 155 I CB -0.330 37.702 38.000 0.053 0.000 1.015 155 I HN 0.825 nan 8.210 nan 0.000 0.410 156 Q N 1.257 121.101 119.800 0.073 0.000 2.020 156 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 156 Q C 2.387 178.441 176.000 0.090 0.000 0.982 156 Q CA 2.467 58.324 55.803 0.091 0.000 0.838 156 Q CB -0.235 28.554 28.738 0.084 0.000 0.899 156 Q HN 0.397 nan 8.270 nan 0.000 0.423 157 V N 1.728 121.693 119.914 0.084 0.000 2.324 157 V HA -0.301 3.819 4.120 -0.000 0.000 0.250 157 V C 2.424 178.540 176.094 0.037 0.000 1.060 157 V CA 2.378 64.724 62.300 0.077 0.000 1.042 157 V CB -0.896 30.999 31.823 0.120 0.000 0.650 157 V HN 0.555 nan 8.190 nan 0.000 0.450 158 E N 0.188 120.416 120.200 0.047 0.000 2.051 158 E HA -0.231 4.119 4.350 -0.000 0.000 0.192 158 E C 2.480 179.083 176.600 0.005 0.000 0.991 158 E CA 1.281 57.697 56.400 0.028 0.000 0.799 158 E CB -0.129 29.627 29.700 0.094 0.000 0.748 158 E HN 0.494 nan 8.360 nan 0.000 0.449 159 R N 0.391 120.888 120.500 -0.004 0.000 2.080 159 R HA -0.143 4.197 4.340 -0.000 0.000 0.236 159 R C 2.079 178.262 176.300 -0.195 0.000 1.137 159 R CA 1.671 57.688 56.100 -0.140 0.000 0.943 159 R CB -0.362 29.871 30.300 -0.112 0.000 0.846 159 R HN 0.297 nan 8.270 nan 0.000 0.431 160 D N 0.355 120.760 120.400 0.008 0.000 2.182 160 D HA -0.135 4.504 4.640 -0.000 0.000 0.201 160 D C 1.782 178.107 176.300 0.042 0.000 0.986 160 D CA 1.132 55.197 54.000 0.107 0.000 0.847 160 D CB 0.073 40.950 40.800 0.129 0.000 0.942 160 D HN 0.098 nan 8.370 nan 0.000 0.467 161 K N 0.116 120.513 120.400 -0.005 0.000 2.044 161 K HA 0.085 4.405 4.320 -0.000 0.000 0.204 161 K C 2.253 178.840 176.600 -0.021 0.000 1.049 161 K CA 0.266 56.542 56.287 -0.018 0.000 0.945 161 K CB -0.355 32.109 32.500 -0.059 0.000 0.724 161 K HN 0.239 nan 8.250 nan 0.000 0.440 162 L N 0.706 121.904 121.223 -0.043 0.000 2.478 162 L HA 0.031 4.371 4.340 -0.000 0.000 0.223 162 L C 0.507 177.315 176.870 -0.103 0.000 1.140 162 L CA 0.181 54.991 54.840 -0.051 0.000 0.842 162 L CB -0.594 41.445 42.059 -0.034 0.000 0.953 162 L HN 0.458 nan 8.230 nan 0.000 0.452 163 N N 1.355 119.966 118.700 -0.149 0.000 2.756 163 N HA -0.165 4.575 4.740 -0.000 0.000 0.248 163 N C -0.591 174.717 175.510 -0.337 0.000 1.062 163 N CA 0.378 53.341 53.050 -0.145 0.000 0.696 163 N CB -0.352 38.137 38.487 0.004 0.000 0.946 163 N HN 0.386 nan 8.380 nan 0.000 0.548 164 K N 1.644 121.656 120.400 -0.647 0.000 2.502 164 K HA 0.348 4.667 4.320 -0.000 0.000 0.254 164 K C -1.350 174.798 176.600 -0.754 0.000 0.947 164 K CA -0.364 55.611 56.287 -0.519 0.000 0.834 164 K CB 1.046 33.374 32.500 -0.287 0.000 1.112 164 K HN 0.094 nan 8.250 nan 0.000 0.427 165 Y N -0.546 119.761 120.300 0.010 0.000 2.570 165 Y HA 0.443 4.992 4.550 -0.000 0.000 0.345 165 Y C 0.900 176.809 175.900 0.015 0.000 1.014 165 Y CA -1.130 56.980 58.100 0.016 0.000 1.063 165 Y CB 2.045 40.515 38.460 0.017 0.000 1.272 165 Y HN 0.782 nan 8.280 nan 0.000 0.477 166 G N 2.547 111.456 108.800 0.182 0.000 2.374 166 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.289 166 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.289 166 G C -0.436 174.509 174.900 0.075 0.000 1.004 166 G CA 0.602 45.770 45.100 0.114 0.000 1.292 166 G HN 1.132 nan 8.290 nan 0.000 0.502 167 R N -1.682 118.855 120.500 0.061 0.000 4.787 167 R HA 0.193 4.532 4.340 -0.000 0.000 0.249 167 R C -3.497 172.823 176.300 0.034 0.000 0.937 167 R CA -1.212 54.917 56.100 0.049 0.000 1.104 167 R CB -0.824 29.499 30.300 0.038 0.000 1.316 167 R HN 0.106 nan 8.270 nan 0.000 0.620 168 P HA 0.036 nan 4.420 nan 0.000 0.267 168 P C -0.495 176.805 177.300 0.001 0.000 1.200 168 P CA -0.365 62.748 63.100 0.023 0.000 0.772 168 P CB 0.374 32.099 31.700 0.042 0.000 0.855 169 L N 3.153 124.366 121.223 -0.017 0.000 2.395 169 L HA 0.282 4.622 4.340 -0.000 0.000 0.269 169 L C 0.300 177.161 176.870 -0.015 0.000 1.133 169 L CA -0.007 54.809 54.840 -0.040 0.000 0.812 169 L CB -0.333 41.725 42.059 -0.002 0.000 1.125 169 L HN 0.306 nan 8.230 nan 0.000 0.452 170 L N 1.734 122.937 121.223 -0.034 0.000 2.325 170 L HA 0.792 5.132 4.340 -0.000 0.000 0.278 170 L C 0.389 177.281 176.870 0.037 0.000 1.023 170 L CA -0.282 54.580 54.840 0.036 0.000 0.811 170 L CB 1.877 43.964 42.059 0.046 0.000 1.249 170 L HN 0.731 nan 8.230 nan 0.000 0.431 171 G N 0.670 109.496 108.800 0.043 0.000 2.680 171 G HA2 0.596 4.556 3.960 -0.000 0.000 0.290 171 G HA3 0.596 4.556 3.960 -0.000 0.000 0.290 171 G C -2.061 172.815 174.900 -0.040 0.000 1.355 171 G CA -0.448 44.655 45.100 0.004 0.000 0.903 171 G HN 0.716 nan 8.290 nan 0.000 0.474 172 C N 0.147 119.395 119.300 -0.088 0.000 2.686 172 C HA 0.812 5.271 4.460 -0.000 0.000 0.318 172 C C -0.190 174.736 174.990 -0.106 0.000 1.160 172 C CA -0.405 58.577 59.018 -0.060 0.000 1.396 172 C CB 0.789 28.523 27.740 -0.010 0.000 1.924 172 C HN 0.824 nan 8.230 nan 0.000 0.471 173 T N 7.102 121.617 114.554 -0.066 0.000 2.733 173 T HA 0.396 4.746 4.350 -0.000 0.000 0.294 173 T C 0.305 174.991 174.700 -0.024 0.000 0.956 173 T CA -0.354 61.727 62.100 -0.032 0.000 0.987 173 T CB 0.252 69.135 68.868 0.025 0.000 0.920 173 T HN 0.583 nan 8.240 nan 0.000 0.470 174 I N 3.855 124.391 120.570 -0.057 0.000 2.815 174 I HA 0.139 4.309 4.170 -0.000 0.000 0.291 174 I C 0.806 176.887 176.117 -0.060 0.000 1.209 174 I CA 0.246 61.457 61.300 -0.148 0.000 1.431 174 I CB -0.152 37.545 38.000 -0.505 0.000 1.351 174 I HN 0.497 nan 8.210 nan 0.000 0.585 175 K N 6.080 126.455 120.400 -0.041 0.000 2.444 175 K HA 0.558 4.878 4.320 -0.000 0.000 0.252 175 K C -2.471 174.135 176.600 0.009 0.000 0.993 175 K CA -1.599 54.697 56.287 0.016 0.000 0.847 175 K CB 1.336 33.856 32.500 0.034 0.000 1.340 175 K HN 0.272 nan 8.250 nan 0.000 0.446 176 P HA 0.102 nan 4.420 nan 0.000 0.269 176 P C 0.431 177.765 177.300 0.057 0.000 1.215 176 P CA -0.074 63.044 63.100 0.031 0.000 0.780 176 P CB 0.866 32.568 31.700 0.004 0.000 0.898 177 K N 0.208 120.641 120.400 0.054 0.000 1.990 177 K HA -0.134 4.185 4.320 -0.000 0.000 0.225 177 K C 0.696 177.358 176.600 0.104 0.000 1.053 177 K CA 1.281 57.617 56.287 0.082 0.000 0.982 177 K CB -0.379 32.153 32.500 0.053 0.000 0.734 177 K HN 0.319 nan 8.250 nan 0.000 0.448 178 L N -1.668 119.547 121.223 -0.013 0.000 2.322 178 L HA 0.333 4.672 4.340 -0.000 0.000 0.269 178 L C 1.048 177.600 176.870 -0.530 0.000 1.012 178 L CA 0.635 55.349 54.840 -0.211 0.000 0.815 178 L CB 0.854 42.816 42.059 -0.162 0.000 1.295 178 L HN 0.729 nan 8.230 nan 0.000 0.438 179 G N 0.858 108.981 108.800 -1.127 0.000 2.163 179 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.213 179 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.213 179 G C -0.385 174.429 174.900 -0.143 0.000 0.991 179 G CA -0.245 44.415 45.100 -0.734 0.000 0.653 179 G HN 0.397 nan 8.290 nan 0.000 0.518 180 L N 2.253 123.552 121.223 0.127 0.000 2.343 180 L HA 0.802 5.142 4.340 -0.000 0.000 0.275 180 L C 1.117 178.194 176.870 0.345 0.000 1.056 180 L CA -0.382 54.601 54.840 0.238 0.000 0.804 180 L CB 1.540 43.776 42.059 0.296 0.000 1.203 180 L HN 0.600 nan 8.230 nan 0.000 0.440 181 S N 2.681 118.517 115.700 0.226 0.000 2.592 181 S HA 0.465 4.935 4.470 -0.000 0.000 0.271 181 S C 1.307 175.985 174.600 0.131 0.000 1.326 181 S CA -0.109 58.190 58.200 0.164 0.000 1.024 181 S CB 1.076 64.320 63.200 0.073 0.000 0.921 181 S HN 0.897 nan 8.310 nan 0.000 0.527 182 A N 2.882 125.750 122.820 0.081 0.000 1.896 182 A HA -0.238 4.081 4.320 -0.000 0.000 0.220 182 A C 2.161 179.696 177.584 -0.082 0.000 1.206 182 A CA 2.341 54.431 52.037 0.088 0.000 0.647 182 A CB -1.272 17.837 19.000 0.181 0.000 0.828 182 A HN 1.003 nan 8.150 nan 0.000 0.455 183 K N -0.841 119.318 120.400 -0.403 0.000 2.063 183 K HA -0.202 4.118 4.320 -0.000 0.000 0.208 183 K C 1.782 178.228 176.600 -0.255 0.000 1.048 183 K CA 1.750 57.619 56.287 -0.697 0.000 0.928 183 K CB -0.194 31.898 32.500 -0.680 0.000 0.713 183 K HN 0.480 nan 8.250 nan 0.000 0.442 184 N N -0.280 118.372 118.700 -0.081 0.000 2.244 184 N HA -0.157 4.583 4.740 -0.000 0.000 0.183 184 N C 1.498 177.045 175.510 0.062 0.000 1.016 184 N CA 0.963 54.014 53.050 0.002 0.000 0.866 184 N CB -0.348 38.159 38.487 0.033 0.000 0.980 184 N HN 0.252 nan 8.380 nan 0.000 0.430 185 Y N 1.334 121.631 120.300 -0.005 0.000 2.207 185 Y HA -0.121 4.429 4.550 -0.000 0.000 0.287 185 Y C 2.377 178.279 175.900 0.004 0.000 1.156 185 Y CA 1.667 59.785 58.100 0.031 0.000 1.182 185 Y CB -0.550 37.948 38.460 0.063 0.000 0.979 185 Y HN 0.064 nan 8.280 nan 0.000 0.521 186 G N -0.686 108.209 108.800 0.157 0.000 2.404 186 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.215 186 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.215 186 G C 1.765 176.723 174.900 0.096 0.000 1.174 186 G CA 0.745 45.915 45.100 0.117 0.000 0.780 186 G HN 0.293 nan 8.290 nan 0.000 0.537 187 R N 0.501 121.041 120.500 0.066 0.000 2.097 187 R HA -0.130 4.210 4.340 -0.000 0.000 0.236 187 R C 2.912 179.253 176.300 0.069 0.000 1.135 187 R CA 1.822 57.979 56.100 0.095 0.000 0.934 187 R CB -0.522 29.801 30.300 0.039 0.000 0.846 187 R HN 0.288 nan 8.270 nan 0.000 0.431 188 A N 0.103 122.922 122.820 -0.002 0.000 1.917 188 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 188 A C 2.320 179.872 177.584 -0.054 0.000 1.182 188 A CA 1.921 53.925 52.037 -0.055 0.000 0.633 188 A CB -0.691 18.230 19.000 -0.131 0.000 0.819 188 A HN 0.267 nan 8.150 nan 0.000 0.448 189 V N -1.187 118.708 119.914 -0.032 0.000 2.237 189 V HA -0.289 3.831 4.120 -0.000 0.000 0.245 189 V C 2.379 178.508 176.094 0.057 0.000 1.046 189 V CA 2.204 64.511 62.300 0.011 0.000 1.007 189 V CB -1.157 30.659 31.823 -0.012 0.000 0.638 189 V HN 0.738 nan 8.190 nan 0.000 0.445 190 Y N 1.455 121.753 120.300 -0.004 0.000 2.114 190 Y HA -0.266 4.284 4.550 -0.000 0.000 0.282 190 Y C 2.556 178.460 175.900 0.007 0.000 1.165 190 Y CA 2.072 60.178 58.100 0.009 0.000 1.148 190 Y CB -0.525 37.947 38.460 0.021 0.000 0.972 190 Y HN 0.270 nan 8.280 nan 0.000 0.504 191 E N 0.006 119.931 120.200 -0.458 0.000 2.023 191 E HA -0.227 4.122 4.350 -0.000 0.000 0.196 191 E C 2.516 178.962 176.600 -0.255 0.000 1.003 191 E CA 1.718 57.864 56.400 -0.424 0.000 0.809 191 E CB -1.125 28.447 29.700 -0.214 0.000 0.755 191 E HN 0.592 nan 8.360 nan 0.000 0.449 192 C N 0.797 120.012 119.300 -0.141 0.000 2.413 192 C HA -0.138 4.322 4.460 -0.000 0.000 0.277 192 C C 2.756 177.687 174.990 -0.098 0.000 1.228 192 C CA 0.273 59.231 59.018 -0.098 0.000 1.731 192 C CB -1.159 26.549 27.740 -0.053 0.000 2.042 192 C HN 0.321 nan 8.230 nan 0.000 0.468 193 L N 1.862 123.042 121.223 -0.072 0.000 2.013 193 L HA -0.176 4.164 4.340 -0.000 0.000 0.212 193 L C 2.805 179.634 176.870 -0.068 0.000 1.073 193 L CA 2.021 56.836 54.840 -0.042 0.000 0.753 193 L CB -1.086 40.987 42.059 0.024 0.000 0.890 193 L HN 0.464 nan 8.230 nan 0.000 0.432 194 R N -1.137 119.280 120.500 -0.137 0.000 2.193 194 R HA -0.076 4.263 4.340 -0.000 0.000 0.229 194 R C 2.095 178.343 176.300 -0.087 0.000 1.110 194 R CA 1.261 57.297 56.100 -0.107 0.000 0.988 194 R CB -1.199 28.974 30.300 -0.211 0.000 0.871 194 R HN 0.347 nan 8.270 nan 0.000 0.458 195 G N 0.029 108.762 108.800 -0.111 0.000 2.421 195 G HA2 0.096 4.056 3.960 -0.000 0.000 0.217 195 G HA3 0.096 4.056 3.960 -0.000 0.000 0.217 195 G C 1.062 175.918 174.900 -0.074 0.000 1.143 195 G CA 0.691 45.733 45.100 -0.095 0.000 0.784 195 G HN 0.606 nan 8.290 nan 0.000 0.541 196 G N -1.617 107.142 108.800 -0.068 0.000 2.321 196 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.174 196 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.174 196 G C -0.056 174.804 174.900 -0.067 0.000 1.008 196 G CA -0.331 44.734 45.100 -0.059 0.000 0.739 196 G HN 0.253 nan 8.290 nan 0.000 0.502 197 L N 1.656 122.840 121.223 -0.067 0.000 2.436 197 L HA 0.470 4.809 4.340 -0.000 0.000 0.265 197 L C 1.234 178.034 176.870 -0.116 0.000 1.168 197 L CA 0.083 54.884 54.840 -0.064 0.000 0.815 197 L CB 0.813 42.849 42.059 -0.037 0.000 1.109 197 L HN 0.073 nan 8.230 nan 0.000 0.462 198 D N 1.248 121.523 120.400 -0.207 0.000 2.183 198 D HA 0.020 4.660 4.640 -0.000 0.000 0.205 198 D C -0.236 175.765 176.300 -0.498 0.000 0.962 198 D CA 1.355 55.095 54.000 -0.434 0.000 0.849 198 D CB 0.330 40.720 40.800 -0.683 0.000 0.978 198 D HN 0.191 nan 8.370 nan 0.000 0.488 199 F N -0.387 119.531 119.950 -0.055 0.000 2.613 199 F HA 0.342 4.868 4.527 -0.000 0.000 0.310 199 F C 0.477 176.133 175.800 -0.239 0.000 1.085 199 F CA -1.165 56.755 58.000 -0.134 0.000 0.945 199 F CB 1.654 40.539 39.000 -0.192 0.000 1.298 199 F HN -0.363 nan 8.300 nan 0.000 0.455 200 T N -1.056 113.452 114.554 -0.076 0.000 2.888 200 T HA 0.885 5.235 4.350 -0.000 0.000 0.288 200 T C -1.038 173.310 174.700 -0.588 0.000 1.063 200 T CA -0.981 61.035 62.100 -0.140 0.000 1.010 200 T CB 2.888 71.835 68.868 0.131 0.000 1.214 200 T HN 0.842 nan 8.240 nan 0.000 0.533 201 K N -0.409 119.646 120.400 -0.576 0.000 2.579 201 K HA 0.543 4.863 4.320 -0.000 0.000 0.284 201 K C -2.004 174.538 176.600 -0.098 0.000 0.990 201 K CA -0.877 54.986 56.287 -0.707 0.000 0.880 201 K CB 1.247 33.444 32.500 -0.505 0.000 1.488 201 K HN 0.397 nan 8.250 nan 0.000 0.425 202 D N 1.236 121.672 120.400 0.060 0.000 2.341 202 D HA 0.130 4.770 4.640 -0.000 0.000 0.245 202 D C -0.657 175.769 176.300 0.211 0.000 1.106 202 D CA 0.253 54.451 54.000 0.330 0.000 0.905 202 D CB 0.784 41.738 40.800 0.257 0.000 1.202 202 D HN 0.377 nan 8.370 nan 0.000 0.426 203 D N 0.907 121.450 120.400 0.240 0.000 2.341 203 D HA -0.055 4.585 4.640 -0.000 0.000 0.245 203 D C 1.362 177.672 176.300 0.017 0.000 1.106 203 D CA -0.203 53.872 54.000 0.125 0.000 0.905 203 D CB 0.911 41.788 40.800 0.128 0.000 1.202 203 D HN 0.413 nan 8.370 nan 0.000 0.426 204 E N 2.395 122.485 120.200 -0.184 0.000 2.333 204 E HA -0.243 4.106 4.350 -0.000 0.000 0.200 204 E C 0.436 176.931 176.600 -0.175 0.000 1.010 204 E CA 1.093 57.266 56.400 -0.379 0.000 0.841 204 E CB -0.265 28.739 29.700 -1.161 0.000 0.757 204 E HN 0.444 nan 8.360 nan 0.000 0.508 205 N N 0.561 119.223 118.700 -0.063 0.000 2.214 205 N HA 0.043 4.782 4.740 -0.000 0.000 0.214 205 N C -0.313 175.244 175.510 0.078 0.000 1.132 205 N CA -0.293 52.759 53.050 0.003 0.000 0.856 205 N CB 0.444 38.941 38.487 0.017 0.000 1.020 205 N HN -0.080 nan 8.380 nan 0.000 0.509 206 V N 1.891 121.864 119.914 0.097 0.000 2.356 206 V HA 0.234 4.354 4.120 -0.000 0.000 0.258 206 V C 0.208 176.354 176.094 0.087 0.000 1.065 206 V CA -0.243 62.134 62.300 0.130 0.000 0.935 206 V CB -0.289 31.627 31.823 0.155 0.000 1.061 206 V HN 0.315 nan 8.190 nan 0.000 0.484 207 N N 2.717 121.452 118.700 0.058 0.000 2.871 207 N HA 0.273 5.012 4.740 -0.000 0.000 0.204 207 N C -0.182 175.365 175.510 0.061 0.000 1.233 207 N CA -0.356 52.726 53.050 0.053 0.000 1.124 207 N CB 0.552 39.049 38.487 0.016 0.000 1.414 207 N HN 0.496 nan 8.380 nan 0.000 0.511 208 S N 0.090 115.796 115.700 0.011 0.000 2.649 208 S HA 0.454 4.924 4.470 -0.000 0.000 0.274 208 S C -1.892 172.638 174.600 -0.116 0.000 1.176 208 S CA -0.422 57.784 58.200 0.009 0.000 0.988 208 S CB 1.167 64.481 63.200 0.190 0.000 1.071 208 S HN 0.298 nan 8.310 nan 0.000 0.478 209 Q N 3.294 122.917 119.800 -0.294 0.000 2.626 209 Q HA 0.480 4.820 4.340 -0.000 0.000 0.300 209 Q C -2.224 173.551 176.000 -0.375 0.000 0.988 209 Q CA -1.559 54.036 55.803 -0.347 0.000 0.761 209 Q CB 1.195 29.624 28.738 -0.515 0.000 1.494 209 Q HN 0.293 nan 8.270 nan 0.000 0.439 210 P HA -0.182 nan 4.420 nan 0.000 0.214 210 P C 0.835 178.110 177.300 -0.042 0.000 1.163 210 P CA 1.473 64.545 63.100 -0.046 0.000 0.889 210 P CB -0.046 31.685 31.700 0.053 0.000 0.790 211 F N -1.741 118.223 119.950 0.022 0.000 2.333 211 F HA 0.143 4.669 4.527 -0.000 0.000 0.300 211 F C 1.028 176.843 175.800 0.026 0.000 1.083 211 F CA 0.398 58.414 58.000 0.026 0.000 1.395 211 F CB -0.690 38.331 39.000 0.035 0.000 1.056 211 F HN -0.124 nan 8.300 nan 0.000 0.529 212 M N 0.942 120.256 119.600 -0.476 0.000 2.331 212 M HA 0.324 4.804 4.480 -0.000 0.000 0.249 212 M C -1.697 174.419 176.300 -0.306 0.000 1.010 212 M CA -0.473 54.673 55.300 -0.257 0.000 0.939 212 M CB 1.314 33.838 32.600 -0.128 0.000 2.126 212 M HN -0.071 nan 8.290 nan 0.000 0.472 213 R N 4.319 124.708 120.500 -0.184 0.000 2.404 213 R HA 0.270 4.609 4.340 -0.000 0.000 0.291 213 R C 1.126 177.313 176.300 -0.189 0.000 1.025 213 R CA -0.315 55.672 56.100 -0.188 0.000 0.991 213 R CB 0.974 31.148 30.300 -0.210 0.000 1.053 213 R HN 0.963 nan 8.270 nan 0.000 0.479 214 W N 4.830 126.028 121.300 -0.170 0.000 2.290 214 W HA -0.309 4.351 4.660 -0.000 0.000 0.323 214 W C 1.096 177.440 176.519 -0.292 0.000 1.260 214 W CA 1.204 58.421 57.345 -0.213 0.000 1.266 214 W CB -0.562 28.707 29.460 -0.318 0.000 1.149 214 W HN 0.610 nan 8.180 nan 0.000 0.482 215 R N 0.806 120.307 120.500 -1.665 0.000 2.096 215 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 215 R C 1.990 178.062 176.300 -0.381 0.000 1.127 215 R CA 2.176 57.490 56.100 -1.309 0.000 0.968 215 R CB -0.401 28.960 30.300 -1.565 0.000 0.861 215 R HN 0.074 nan 8.270 nan 0.000 0.440 216 D N -0.469 119.772 120.400 -0.265 0.000 2.123 216 D HA -0.154 4.486 4.640 -0.000 0.000 0.200 216 D C 1.852 178.265 176.300 0.188 0.000 0.976 216 D CA 0.812 54.796 54.000 -0.026 0.000 0.831 216 D CB -0.163 40.642 40.800 0.008 0.000 0.974 216 D HN 0.202 nan 8.370 nan 0.000 0.469 217 R N -0.069 120.535 120.500 0.173 0.000 2.073 217 R HA -0.129 4.211 4.340 -0.000 0.000 0.234 217 R C 2.185 178.703 176.300 0.364 0.000 1.134 217 R CA 0.910 57.156 56.100 0.243 0.000 0.952 217 R CB -0.291 30.066 30.300 0.096 0.000 0.850 217 R HN 0.064 nan 8.270 nan 0.000 0.433 218 F N 1.145 121.175 119.950 0.134 0.000 2.126 218 F HA -0.188 4.338 4.527 -0.000 0.000 0.299 218 F C 2.327 178.165 175.800 0.063 0.000 1.096 218 F CA 0.887 58.980 58.000 0.156 0.000 1.255 218 F CB -0.997 38.199 39.000 0.327 0.000 0.997 218 F HN 0.065 nan 8.300 nan 0.000 0.479 219 L N -1.296 120.087 121.223 0.267 0.000 1.994 219 L HA -0.242 4.098 4.340 -0.000 0.000 0.208 219 L C 2.338 179.166 176.870 -0.070 0.000 1.071 219 L CA 1.626 56.487 54.840 0.035 0.000 0.745 219 L CB -0.520 41.494 42.059 -0.074 0.000 0.892 219 L HN -0.033 nan 8.230 nan 0.000 0.431 220 F N -0.858 119.141 119.950 0.081 0.000 2.206 220 F HA -0.162 4.364 4.527 -0.000 0.000 0.298 220 F C 2.592 178.397 175.800 0.009 0.000 1.090 220 F CA 1.180 59.209 58.000 0.048 0.000 1.323 220 F CB -1.096 37.938 39.000 0.058 0.000 1.028 220 F HN 0.178 nan 8.300 nan 0.000 0.492 221 C N -0.002 119.390 119.300 0.154 0.000 2.419 221 C HA -0.049 4.411 4.460 -0.000 0.000 0.283 221 C C 3.036 177.971 174.990 -0.091 0.000 1.373 221 C CA 0.670 59.660 59.018 -0.046 0.000 1.781 221 C CB -1.761 25.794 27.740 -0.308 0.000 1.886 221 C HN 0.496 nan 8.230 nan 0.000 0.520 222 A N 0.588 123.362 122.820 -0.078 0.000 1.873 222 A HA -0.192 4.128 4.320 -0.000 0.000 0.215 222 A C 2.164 179.676 177.584 -0.120 0.000 1.186 222 A CA 1.647 53.563 52.037 -0.201 0.000 0.616 222 A CB -0.659 18.272 19.000 -0.114 0.000 0.823 222 A HN 0.636 nan 8.150 nan 0.000 0.442 223 E N -0.259 119.962 120.200 0.034 0.000 2.070 223 E HA -0.230 4.120 4.350 -0.000 0.000 0.197 223 E C 2.175 178.816 176.600 0.068 0.000 1.004 223 E CA 1.350 57.808 56.400 0.097 0.000 0.805 223 E CB -0.235 29.538 29.700 0.122 0.000 0.744 223 E HN 0.559 nan 8.360 nan 0.000 0.451 224 A N 0.735 123.590 122.820 0.058 0.000 1.897 224 A HA -0.141 4.179 4.320 -0.000 0.000 0.215 224 A C 2.135 179.772 177.584 0.089 0.000 1.181 224 A CA 1.435 53.517 52.037 0.075 0.000 0.620 224 A CB -0.557 18.524 19.000 0.135 0.000 0.821 224 A HN 0.369 nan 8.150 nan 0.000 0.443 225 L N -3.138 118.079 121.223 -0.009 0.000 2.217 225 L HA 0.032 4.372 4.340 -0.000 0.000 0.211 225 L C 2.060 178.940 176.870 0.017 0.000 1.107 225 L CA 1.581 56.414 54.840 -0.012 0.000 0.783 225 L CB -1.273 40.733 42.059 -0.088 0.000 0.919 225 L HN 0.255 nan 8.230 nan 0.000 0.442 226 Y N 0.643 120.975 120.300 0.053 0.000 2.242 226 Y HA -0.070 4.480 4.550 -0.000 0.000 0.291 226 Y C 2.752 178.666 175.900 0.024 0.000 1.137 226 Y CA 1.335 59.453 58.100 0.030 0.000 1.181 226 Y CB -0.661 37.806 38.460 0.011 0.000 0.989 226 Y HN 0.281 nan 8.280 nan 0.000 0.527 227 K N 0.154 120.628 120.400 0.123 0.000 2.025 227 K HA -0.141 4.179 4.320 -0.000 0.000 0.207 227 K C 2.335 179.013 176.600 0.131 0.000 1.049 227 K CA 1.094 57.390 56.287 0.015 0.000 0.933 227 K CB -0.270 32.072 32.500 -0.263 0.000 0.714 227 K HN 0.231 nan 8.250 nan 0.000 0.438 228 A N 1.322 124.304 122.820 0.271 0.000 1.908 228 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 228 A C 2.085 179.769 177.584 0.168 0.000 1.181 228 A CA 1.816 54.038 52.037 0.308 0.000 0.627 228 A CB -0.669 18.488 19.000 0.263 0.000 0.818 228 A HN 0.548 nan 8.150 nan 0.000 0.445 229 Q N -0.795 119.092 119.800 0.144 0.000 2.119 229 Q HA -0.106 4.234 4.340 -0.000 0.000 0.201 229 Q C 2.214 178.274 176.000 0.099 0.000 0.972 229 Q CA 1.406 57.277 55.803 0.114 0.000 0.847 229 Q CB -0.297 28.526 28.738 0.142 0.000 0.903 229 Q HN 0.631 nan 8.270 nan 0.000 0.433 230 A N 0.703 123.587 122.820 0.106 0.000 1.873 230 A HA -0.223 4.097 4.320 -0.000 0.000 0.215 230 A C 1.864 179.489 177.584 0.069 0.000 1.186 230 A CA 1.539 53.621 52.037 0.074 0.000 0.616 230 A CB -0.626 18.410 19.000 0.059 0.000 0.823 230 A HN 0.564 nan 8.150 nan 0.000 0.442 231 E N -0.486 119.769 120.200 0.090 0.000 2.012 231 E HA -0.213 4.137 4.350 -0.000 0.000 0.197 231 E C 2.251 178.894 176.600 0.071 0.000 1.007 231 E CA 2.399 58.855 56.400 0.093 0.000 0.816 231 E CB -0.189 29.600 29.700 0.150 0.000 0.762 231 E HN 0.741 nan 8.360 nan 0.000 0.451 232 T N -3.252 111.343 114.554 0.069 0.000 2.812 232 T HA 0.064 4.413 4.350 -0.000 0.000 0.264 232 T C 1.559 176.281 174.700 0.036 0.000 1.042 232 T CA 1.122 63.248 62.100 0.043 0.000 1.140 232 T CB -0.086 68.801 68.868 0.031 0.000 0.870 232 T HN 0.446 nan 8.240 nan 0.000 0.445 233 G N 1.107 109.930 108.800 0.039 0.000 2.130 233 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.216 233 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.216 233 G C -0.389 174.526 174.900 0.025 0.000 0.999 233 G CA -0.004 45.116 45.100 0.033 0.000 0.686 233 G HN 0.716 nan 8.290 nan 0.000 0.515 234 E N -0.284 119.928 120.200 0.021 0.000 2.224 234 E HA 0.521 4.871 4.350 -0.000 0.000 0.265 234 E C 0.501 177.102 176.600 0.001 0.000 0.878 234 E CA -1.101 55.299 56.400 0.001 0.000 0.759 234 E CB 1.874 31.562 29.700 -0.020 0.000 1.164 234 E HN 0.310 nan 8.360 nan 0.000 0.414 235 I N 3.290 123.858 120.570 -0.004 0.000 2.826 235 I HA -0.094 4.075 4.170 -0.000 0.000 0.295 235 I C 0.425 176.529 176.117 -0.022 0.000 1.213 235 I CA 0.696 62.002 61.300 0.009 0.000 1.436 235 I CB -0.010 37.994 38.000 0.006 0.000 1.348 235 I HN 0.236 nan 8.210 nan 0.000 0.570 236 K N 4.398 124.809 120.400 0.018 0.000 2.295 236 K HA 0.807 5.127 4.320 -0.000 0.000 0.239 236 K C -0.202 176.455 176.600 0.095 0.000 0.991 236 K CA -0.744 55.552 56.287 0.014 0.000 0.845 236 K CB 2.097 34.623 32.500 0.043 0.000 1.197 236 K HN 0.779 nan 8.250 nan 0.000 0.441 237 G N 0.049 108.971 108.800 0.203 0.000 2.718 237 G HA2 0.348 4.308 3.960 -0.000 0.000 0.295 237 G HA3 0.348 4.308 3.960 -0.000 0.000 0.295 237 G C -1.922 173.178 174.900 0.334 0.000 1.421 237 G CA -0.310 44.996 45.100 0.343 0.000 0.902 237 G HN 0.558 nan 8.290 nan 0.000 0.501 238 H N 1.537 120.677 119.070 0.116 0.000 2.970 238 H HA 0.282 4.838 4.556 -0.000 0.000 0.315 238 H C -0.809 174.550 175.328 0.051 0.000 0.992 238 H CA -0.573 55.497 56.048 0.036 0.000 1.363 238 H CB 0.786 30.547 29.762 -0.001 0.000 1.532 238 H HN 0.371 nan 8.280 nan 0.000 0.514 239 Y N 5.417 125.406 120.300 -0.519 0.000 2.834 239 Y HA -0.021 4.529 4.550 -0.000 0.000 0.355 239 Y C 0.694 176.426 175.900 -0.279 0.000 1.287 239 Y CA -0.166 57.699 58.100 -0.392 0.000 1.647 239 Y CB -0.692 37.530 38.460 -0.397 0.000 1.221 239 Y HN 0.394 nan 8.280 nan 0.000 0.519 240 L N 4.079 125.279 121.223 -0.038 0.000 2.290 240 L HA 0.224 4.563 4.340 -0.000 0.000 0.284 240 L C 0.772 177.611 176.870 -0.052 0.000 1.078 240 L CA -0.141 54.575 54.840 -0.206 0.000 0.815 240 L CB 0.534 42.120 42.059 -0.788 0.000 1.162 240 L HN 0.605 nan 8.230 nan 0.000 0.435 241 N N 1.947 120.710 118.700 0.105 0.000 2.420 241 N HA 0.184 4.924 4.740 -0.000 0.000 0.262 241 N C 0.521 176.168 175.510 0.228 0.000 1.144 241 N CA -0.154 52.996 53.050 0.167 0.000 0.952 241 N CB 1.055 39.633 38.487 0.152 0.000 1.081 241 N HN 0.796 nan 8.380 nan 0.000 0.480 242 A N 2.850 125.763 122.820 0.155 0.000 2.308 242 A HA 0.077 4.396 4.320 -0.000 0.000 0.217 242 A C 0.605 178.208 177.584 0.031 0.000 1.216 242 A CA -0.066 52.011 52.037 0.065 0.000 0.864 242 A CB 0.085 19.084 19.000 -0.003 0.000 0.902 242 A HN 0.580 nan 8.150 nan 0.000 0.499 243 T N 1.899 116.538 114.554 0.142 0.000 2.829 243 T HA 0.456 4.806 4.350 -0.000 0.000 0.293 243 T C 0.331 175.038 174.700 0.011 0.000 0.970 243 T CA 0.838 63.033 62.100 0.158 0.000 1.168 243 T CB 0.670 69.567 68.868 0.048 0.000 0.911 243 T HN 0.607 nan 8.240 nan 0.000 0.535 244 A N 2.779 125.594 122.820 -0.008 0.000 2.525 244 A HA 0.869 5.189 4.320 -0.000 0.000 0.291 244 A C 1.393 178.950 177.584 -0.045 0.000 1.268 244 A CA -0.255 51.739 52.037 -0.072 0.000 0.712 244 A CB 0.554 19.457 19.000 -0.162 0.000 1.320 244 A HN 0.730 nan 8.150 nan 0.000 0.456 245 G N -1.043 107.724 108.800 -0.056 0.000 2.453 245 G HA2 0.359 4.318 3.960 -0.000 0.000 0.215 245 G HA3 0.359 4.318 3.960 -0.000 0.000 0.215 245 G C 0.652 175.525 174.900 -0.045 0.000 1.147 245 G CA 1.662 46.736 45.100 -0.043 0.000 0.802 245 G HN 1.460 nan 8.290 nan 0.000 0.535 246 T N -3.740 110.778 114.554 -0.061 0.000 2.906 246 T HA 0.318 4.667 4.350 -0.000 0.000 0.295 246 T C 0.923 175.577 174.700 -0.077 0.000 1.075 246 T CA -0.318 61.747 62.100 -0.058 0.000 1.005 246 T CB 1.431 70.266 68.868 -0.056 0.000 1.136 246 T HN -0.056 nan 8.240 nan 0.000 0.498 247 C N 0.807 120.066 119.300 -0.069 0.000 2.413 247 C HA -0.037 4.423 4.460 -0.000 0.000 0.277 247 C C 2.598 177.519 174.990 -0.115 0.000 1.265 247 C CA 0.903 59.865 59.018 -0.093 0.000 1.752 247 C CB -1.372 26.324 27.740 -0.074 0.000 1.998 247 C HN 1.015 nan 8.230 nan 0.000 0.489 248 E N 0.892 121.036 120.200 -0.094 0.000 2.077 248 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 248 E C 2.197 178.716 176.600 -0.135 0.000 0.989 248 E CA 0.940 57.281 56.400 -0.098 0.000 0.800 248 E CB -0.294 29.364 29.700 -0.069 0.000 0.746 248 E HN 0.539 nan 8.360 nan 0.000 0.452 249 E N 0.155 120.270 120.200 -0.142 0.000 2.072 249 E HA -0.125 4.225 4.350 -0.000 0.000 0.190 249 E C 1.986 178.414 176.600 -0.287 0.000 0.982 249 E CA 0.633 56.911 56.400 -0.204 0.000 0.803 249 E CB -0.199 29.388 29.700 -0.188 0.000 0.755 249 E HN 0.322 nan 8.360 nan 0.000 0.453 250 M N 0.302 119.760 119.600 -0.237 0.000 2.080 250 M HA -0.201 4.279 4.480 -0.000 0.000 0.260 250 M C 1.925 178.036 176.300 -0.316 0.000 1.068 250 M CA 1.487 56.630 55.300 -0.263 0.000 1.109 250 M CB -0.018 32.448 32.600 -0.223 0.000 1.342 250 M HN 0.017 nan 8.290 nan 0.000 0.405 251 I N 0.558 120.950 120.570 -0.297 0.000 2.252 251 I HA -0.277 3.892 4.170 -0.000 0.000 0.245 251 I C 2.389 178.291 176.117 -0.358 0.000 1.102 251 I CA 1.394 62.466 61.300 -0.379 0.000 1.385 251 I CB -1.327 36.503 38.000 -0.283 0.000 1.064 251 I HN 0.468 nan 8.210 nan 0.000 0.414 252 K N 1.110 121.348 120.400 -0.271 0.000 2.152 252 K HA -0.197 4.123 4.320 -0.000 0.000 0.206 252 K C 2.173 178.603 176.600 -0.283 0.000 1.048 252 K CA 1.428 57.588 56.287 -0.211 0.000 0.933 252 K CB 0.086 32.484 32.500 -0.170 0.000 0.721 252 K HN 0.270 nan 8.250 nan 0.000 0.447 253 R N -0.577 119.619 120.500 -0.508 0.000 2.112 253 R HA 0.066 4.406 4.340 -0.000 0.000 0.216 253 R C 2.376 178.635 176.300 -0.069 0.000 1.080 253 R CA 0.805 56.507 56.100 -0.664 0.000 0.996 253 R CB -0.145 29.607 30.300 -0.914 0.000 0.902 253 R HN 0.166 nan 8.270 nan 0.000 0.449 254 A N 0.838 123.548 122.820 -0.184 0.000 1.908 254 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 254 A C 2.274 179.862 177.584 0.007 0.000 1.181 254 A CA 1.448 53.405 52.037 -0.133 0.000 0.627 254 A CB -0.641 18.108 19.000 -0.419 0.000 0.818 254 A HN 0.099 nan 8.150 nan 0.000 0.445 255 V N -1.169 118.704 119.914 -0.068 0.000 2.332 255 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 255 V C 2.298 178.583 176.094 0.317 0.000 1.055 255 V CA 2.230 64.630 62.300 0.167 0.000 1.038 255 V CB -0.943 30.928 31.823 0.080 0.000 0.651 255 V HN 0.623 nan 8.190 nan 0.000 0.450 256 F N 1.388 121.455 119.950 0.195 0.000 2.186 256 F HA -0.060 4.467 4.527 -0.000 0.000 0.299 256 F C 2.243 178.243 175.800 0.335 0.000 1.090 256 F CA 0.881 59.053 58.000 0.287 0.000 1.307 256 F CB -0.762 38.483 39.000 0.409 0.000 1.019 256 F HN 0.081 nan 8.300 nan 0.000 0.489 257 A N 0.840 123.853 122.820 0.322 0.000 1.883 257 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 257 A C 2.505 180.128 177.584 0.065 0.000 1.186 257 A CA 1.620 53.729 52.037 0.121 0.000 0.624 257 A CB -0.856 18.222 19.000 0.130 0.000 0.822 257 A HN 0.324 nan 8.150 nan 0.000 0.444 258 R N -0.060 120.535 120.500 0.157 0.000 2.103 258 R HA -0.206 4.134 4.340 -0.000 0.000 0.242 258 R C 2.187 178.549 176.300 0.103 0.000 1.142 258 R CA 2.051 58.238 56.100 0.146 0.000 0.960 258 R CB -0.531 29.899 30.300 0.217 0.000 0.858 258 R HN 0.804 nan 8.270 nan 0.000 0.439 259 E N 0.323 120.598 120.200 0.124 0.000 2.070 259 E HA -0.201 4.149 4.350 -0.000 0.000 0.197 259 E C 2.073 178.683 176.600 0.017 0.000 1.004 259 E CA 1.385 57.849 56.400 0.108 0.000 0.805 259 E CB -0.139 29.703 29.700 0.237 0.000 0.744 259 E HN 0.364 nan 8.360 nan 0.000 0.451 260 L N -0.793 120.371 121.223 -0.097 0.000 2.376 260 L HA 0.016 4.356 4.340 -0.000 0.000 0.219 260 L C 1.866 178.794 176.870 0.097 0.000 1.133 260 L CA 0.699 55.503 54.840 -0.061 0.000 0.816 260 L CB -0.226 41.685 42.059 -0.248 0.000 0.933 260 L HN 0.556 nan 8.230 nan 0.000 0.449 261 G N 0.065 108.916 108.800 0.084 0.000 2.176 261 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.253 261 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.253 261 G C 0.495 175.493 174.900 0.164 0.000 0.979 261 G CA 0.235 45.414 45.100 0.131 0.000 0.641 261 G HN 0.286 nan 8.290 nan 0.000 0.530 262 V N -0.845 119.133 119.914 0.106 0.000 2.872 262 V HA 0.551 4.671 4.120 -0.000 0.000 0.307 262 V C 0.005 176.119 176.094 0.033 0.000 1.072 262 V CA -0.296 62.016 62.300 0.020 0.000 1.148 262 V CB 1.128 32.895 31.823 -0.094 0.000 0.954 262 V HN 0.142 nan 8.190 nan 0.000 0.490 263 P HA 0.301 nan 4.420 nan 0.000 0.239 263 P C 0.132 177.427 177.300 -0.008 0.000 1.188 263 P CA 0.519 63.636 63.100 0.027 0.000 0.794 263 P CB 0.538 32.278 31.700 0.065 0.000 0.937 264 I N -0.070 120.486 120.570 -0.023 0.000 2.827 264 I HA 0.389 4.559 4.170 -0.000 0.000 0.298 264 I C -1.223 174.836 176.117 -0.097 0.000 1.235 264 I CA -1.348 59.887 61.300 -0.108 0.000 1.021 264 I CB 2.617 40.498 38.000 -0.198 0.000 1.259 264 I HN -0.293 nan 8.210 nan 0.000 0.427 265 V N 3.773 123.615 119.914 -0.120 0.000 3.155 265 V HA 0.745 4.865 4.120 -0.000 0.000 0.313 265 V C -0.789 175.244 176.094 -0.102 0.000 1.162 265 V CA -0.750 61.503 62.300 -0.078 0.000 1.048 265 V CB 1.909 33.719 31.823 -0.021 0.000 1.092 265 V HN 0.939 nan 8.190 nan 0.000 0.447 266 M N 1.079 120.671 119.600 -0.014 0.000 2.569 266 M HA 0.627 5.106 4.480 -0.000 0.000 0.279 266 M C -1.953 174.428 176.300 0.135 0.000 1.253 266 M CA -0.418 54.905 55.300 0.039 0.000 0.867 266 M CB 2.312 34.988 32.600 0.126 0.000 1.727 266 M HN 1.170 nan 8.290 nan 0.000 0.467 267 H N 1.448 120.508 119.070 -0.016 0.000 2.974 267 H HA 0.314 4.869 4.556 -0.000 0.000 0.366 267 H C -1.759 173.578 175.328 0.015 0.000 1.155 267 H CA -0.650 55.391 56.048 -0.013 0.000 1.186 267 H CB 1.909 31.649 29.762 -0.037 0.000 1.799 267 H HN 0.739 nan 8.280 nan 0.000 0.541 268 D N 5.549 125.674 120.400 -0.458 0.000 2.422 268 D HA -0.019 4.621 4.640 -0.000 0.000 0.227 268 D C 1.067 177.050 176.300 -0.529 0.000 1.190 268 D CA -0.135 53.680 54.000 -0.309 0.000 0.905 268 D CB 0.232 40.891 40.800 -0.235 0.000 1.034 268 D HN 0.548 nan 8.370 nan 0.000 0.507 269 Y N 1.317 121.313 120.300 -0.506 0.000 2.256 269 Y HA -0.148 4.402 4.550 -0.000 0.000 0.288 269 Y C 1.395 177.039 175.900 -0.427 0.000 1.155 269 Y CA 1.011 58.860 58.100 -0.418 0.000 1.203 269 Y CB -0.542 37.781 38.460 -0.228 0.000 0.980 269 Y HN 0.242 nan 8.280 nan 0.000 0.530 270 L N 0.307 121.117 121.223 -0.690 0.000 2.168 270 L HA -0.044 4.296 4.340 -0.000 0.000 0.203 270 L C 2.652 179.272 176.870 -0.417 0.000 1.078 270 L CA 1.430 55.832 54.840 -0.731 0.000 0.780 270 L CB -0.799 40.810 42.059 -0.750 0.000 0.939 270 L HN 0.405 nan 8.230 nan 0.000 0.451 271 T N -3.227 111.143 114.554 -0.307 0.000 2.985 271 T HA -0.015 4.335 4.350 -0.000 0.000 0.266 271 T C 1.874 176.464 174.700 -0.182 0.000 1.076 271 T CA 0.817 62.793 62.100 -0.207 0.000 1.135 271 T CB -0.511 68.266 68.868 -0.152 0.000 0.890 271 T HN 0.328 nan 8.240 nan 0.000 0.480 272 G N 1.546 110.214 108.800 -0.221 0.000 2.404 272 G HA2 0.419 4.379 3.960 -0.000 0.000 0.214 272 G HA3 0.419 4.379 3.960 -0.000 0.000 0.214 272 G C 0.863 175.719 174.900 -0.073 0.000 1.189 272 G CA 0.256 45.292 45.100 -0.107 0.000 0.789 272 G HN 1.285 nan 8.290 nan 0.000 0.533 273 G N -1.959 106.746 108.800 -0.158 0.000 2.617 273 G HA2 0.023 3.983 3.960 -0.000 0.000 0.686 273 G HA3 0.023 3.983 3.960 -0.000 0.000 0.686 273 G C 0.166 175.014 174.900 -0.087 0.000 1.214 273 G CA -0.130 44.849 45.100 -0.202 0.000 0.796 273 G HN 0.160 nan 8.290 nan 0.000 0.654 274 F N 0.725 120.677 119.950 0.003 0.000 2.126 274 F HA -0.068 4.459 4.527 -0.000 0.000 0.299 274 F C 3.116 178.907 175.800 -0.015 0.000 1.096 274 F CA 2.279 60.278 58.000 -0.002 0.000 1.255 274 F CB -0.980 37.971 39.000 -0.081 0.000 0.997 274 F HN 0.562 nan 8.300 nan 0.000 0.479 275 T N 0.027 114.676 114.554 0.159 0.000 2.684 275 T HA -0.238 4.112 4.350 -0.000 0.000 0.267 275 T C 2.300 177.012 174.700 0.019 0.000 1.036 275 T CA 1.641 63.780 62.100 0.065 0.000 1.148 275 T CB -0.746 68.146 68.868 0.039 0.000 0.863 275 T HN 0.328 nan 8.240 nan 0.000 0.436 276 A N 1.362 124.199 122.820 0.028 0.000 1.930 276 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 276 A C 2.153 179.710 177.584 -0.046 0.000 1.175 276 A CA 1.823 53.850 52.037 -0.016 0.000 0.627 276 A CB -0.801 18.207 19.000 0.013 0.000 0.815 276 A HN 0.505 nan 8.150 nan 0.000 0.443 277 N N -0.198 118.553 118.700 0.086 0.000 2.039 277 N HA -0.136 4.604 4.740 -0.000 0.000 0.193 277 N C 1.668 177.147 175.510 -0.052 0.000 1.044 277 N CA 2.435 55.539 53.050 0.090 0.000 0.847 277 N CB -0.471 38.169 38.487 0.255 0.000 1.030 277 N HN 0.347 nan 8.380 nan 0.000 0.422 278 T N -0.818 113.708 114.554 -0.047 0.000 2.778 278 T HA -0.105 4.245 4.350 -0.000 0.000 0.269 278 T C 1.983 176.454 174.700 -0.382 0.000 1.050 278 T CA 1.383 63.367 62.100 -0.194 0.000 1.137 278 T CB -0.408 68.373 68.868 -0.145 0.000 0.860 278 T HN 0.176 nan 8.240 nan 0.000 0.468 279 S N 0.871 116.421 115.700 -0.251 0.000 2.368 279 S HA 0.031 4.501 4.470 -0.000 0.000 0.224 279 S C 1.864 176.386 174.600 -0.130 0.000 1.029 279 S CA 0.521 58.600 58.200 -0.201 0.000 0.988 279 S CB -0.334 62.791 63.200 -0.125 0.000 0.838 279 S HN 0.256 nan 8.310 nan 0.000 0.462 280 L N 1.689 122.814 121.223 -0.163 0.000 2.109 280 L HA 0.144 4.483 4.340 -0.000 0.000 0.207 280 L C 2.311 179.163 176.870 -0.031 0.000 1.086 280 L CA 1.562 56.319 54.840 -0.138 0.000 0.760 280 L CB -0.957 40.901 42.059 -0.335 0.000 0.910 280 L HN 0.239 nan 8.230 nan 0.000 0.437 281 A N -1.439 121.341 122.820 -0.066 0.000 1.902 281 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 281 A C 2.159 179.808 177.584 0.109 0.000 1.181 281 A CA 1.822 53.856 52.037 -0.006 0.000 0.623 281 A CB -1.010 17.976 19.000 -0.023 0.000 0.818 281 A HN 0.684 nan 8.150 nan 0.000 0.443 282 H N -3.267 115.796 119.070 -0.011 0.000 2.321 282 H HA -0.171 4.385 4.556 -0.000 0.000 0.300 282 H C 2.076 177.413 175.328 0.014 0.000 1.087 282 H CA 1.616 57.654 56.048 -0.017 0.000 1.319 282 H CB -0.185 29.570 29.762 -0.012 0.000 1.379 282 H HN 0.664 nan 8.280 nan 0.000 0.501 283 Y N 0.895 121.232 120.300 0.061 0.000 2.224 283 Y HA -0.252 4.298 4.550 -0.000 0.000 0.289 283 Y C 2.329 178.234 175.900 0.008 0.000 1.146 283 Y CA 0.922 59.032 58.100 0.017 0.000 1.182 283 Y CB -0.656 37.797 38.460 -0.011 0.000 0.983 283 Y HN 0.202 nan 8.280 nan 0.000 0.524 284 C N 0.078 119.494 119.300 0.194 0.000 2.450 284 C HA -0.037 4.423 4.460 -0.000 0.000 0.279 284 C C 2.781 177.765 174.990 -0.010 0.000 1.335 284 C CA 1.113 60.198 59.018 0.111 0.000 1.749 284 C CB -1.131 26.669 27.740 0.100 0.000 1.963 284 C HN 0.602 nan 8.230 nan 0.000 0.501 285 R N 1.766 122.231 120.500 -0.058 0.000 2.070 285 R HA -0.105 4.234 4.340 -0.000 0.000 0.233 285 R C 1.559 177.788 176.300 -0.119 0.000 1.137 285 R CA 2.022 58.035 56.100 -0.146 0.000 0.945 285 R CB -0.695 29.517 30.300 -0.147 0.000 0.845 285 R HN 0.388 nan 8.270 nan 0.000 0.430 286 D N -0.290 120.020 120.400 -0.150 0.000 2.348 286 D HA -0.056 4.584 4.640 -0.000 0.000 0.216 286 D C 0.381 176.549 176.300 -0.219 0.000 0.970 286 D CA 0.756 54.651 54.000 -0.175 0.000 0.889 286 D CB 0.020 40.708 40.800 -0.186 0.000 0.912 286 D HN 0.332 nan 8.370 nan 0.000 0.524 287 N N -0.592 117.945 118.700 -0.272 0.000 2.170 287 N HA 0.089 4.829 4.740 -0.000 0.000 0.222 287 N C 0.763 176.230 175.510 -0.071 0.000 1.218 287 N CA 0.219 53.121 53.050 -0.247 0.000 0.889 287 N CB 1.652 39.829 38.487 -0.517 0.000 1.083 287 N HN 0.030 nan 8.380 nan 0.000 0.520 288 G N 1.742 110.551 108.800 0.014 0.000 2.305 288 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.287 288 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.287 288 G C -0.139 174.796 174.900 0.058 0.000 1.036 288 G CA 0.311 45.468 45.100 0.095 0.000 0.887 288 G HN 0.250 nan 8.290 nan 0.000 0.505 289 L N -0.641 120.646 121.223 0.106 0.000 2.325 289 L HA 0.610 4.950 4.340 -0.000 0.000 0.279 289 L C 0.915 177.841 176.870 0.094 0.000 1.054 289 L CA -1.039 53.842 54.840 0.067 0.000 0.804 289 L CB 1.441 43.562 42.059 0.103 0.000 1.200 289 L HN 0.043 nan 8.230 nan 0.000 0.436 290 L N 3.616 124.817 121.223 -0.037 0.000 2.312 290 L HA 0.422 4.762 4.340 -0.000 0.000 0.281 290 L C -0.561 176.211 176.870 -0.165 0.000 1.070 290 L CA -0.535 54.255 54.840 -0.083 0.000 0.805 290 L CB 1.676 43.609 42.059 -0.210 0.000 1.174 290 L HN 0.388 nan 8.230 nan 0.000 0.434 291 L N 3.023 124.141 121.223 -0.175 0.000 2.325 291 L HA 0.396 4.736 4.340 -0.000 0.000 0.281 291 L C -0.642 176.036 176.870 -0.320 0.000 1.004 291 L CA -0.235 54.485 54.840 -0.200 0.000 0.823 291 L CB 1.263 43.262 42.059 -0.100 0.000 1.236 291 L HN 0.468 nan 8.230 nan 0.000 0.415 292 H N 5.553 124.314 119.070 -0.514 0.000 2.552 292 H HA 0.543 5.099 4.556 -0.000 0.000 0.311 292 H C -0.824 174.368 175.328 -0.226 0.000 1.071 292 H CA -0.641 55.075 56.048 -0.553 0.000 1.307 292 H CB 0.630 29.789 29.762 -1.005 0.000 1.416 292 H HN 0.523 nan 8.280 nan 0.000 0.464 293 I N 5.184 125.493 120.570 -0.434 0.000 2.396 293 I HA 0.123 4.293 4.170 -0.000 0.000 0.292 293 I C 0.340 176.169 176.117 -0.480 0.000 0.999 293 I CA -0.352 60.747 61.300 -0.336 0.000 1.310 293 I CB 0.864 38.645 38.000 -0.365 0.000 1.404 293 I HN 0.715 nan 8.210 nan 0.000 0.496 294 H N 7.486 126.340 119.070 -0.360 0.000 2.511 294 H HA 0.268 4.824 4.556 -0.000 0.000 0.328 294 H C 0.507 175.717 175.328 -0.198 0.000 1.044 294 H CA -0.513 55.272 56.048 -0.439 0.000 1.212 294 H CB 1.404 31.000 29.762 -0.277 0.000 1.428 294 H HN 0.585 nan 8.280 nan 0.000 0.483 295 R N 3.598 123.882 120.500 -0.359 0.000 2.423 295 R HA 0.235 4.574 4.340 -0.000 0.000 0.248 295 R C -0.042 176.236 176.300 -0.036 0.000 1.019 295 R CA -0.230 55.808 56.100 -0.105 0.000 1.119 295 R CB -0.514 29.708 30.300 -0.130 0.000 1.176 295 R HN 0.407 nan 8.270 nan 0.000 0.526 296 A N 1.602 124.515 122.820 0.155 0.000 2.624 296 A HA -0.017 4.303 4.320 -0.000 0.000 0.231 296 A C 1.137 178.732 177.584 0.018 0.000 1.034 296 A CA 1.165 53.295 52.037 0.155 0.000 0.754 296 A CB -0.202 18.873 19.000 0.126 0.000 0.953 296 A HN 0.823 nan 8.150 nan 0.000 0.509 297 M N 0.057 119.666 119.600 0.016 0.000 2.909 297 M HA -0.359 4.121 4.480 -0.000 0.000 0.182 297 M C 0.993 177.276 176.300 -0.029 0.000 0.642 297 M CA 2.582 57.855 55.300 -0.044 0.000 0.695 297 M CB -2.126 30.416 32.600 -0.096 0.000 2.505 297 M HN 1.303 nan 8.290 nan 0.000 0.282 298 H N -0.455 118.546 119.070 -0.115 0.000 2.387 298 H HA 0.190 4.746 4.556 -0.000 0.000 0.299 298 H C 1.796 177.094 175.328 -0.049 0.000 1.099 298 H CA 2.061 58.066 56.048 -0.072 0.000 1.315 298 H CB -0.528 29.224 29.762 -0.016 0.000 1.380 298 H HN 0.564 nan 8.280 nan 0.000 0.513 299 A N 1.057 123.420 122.820 -0.760 0.000 2.067 299 A HA -0.045 4.274 4.320 -0.000 0.000 0.219 299 A C 2.501 179.937 177.584 -0.247 0.000 1.158 299 A CA 1.236 52.908 52.037 -0.608 0.000 0.661 299 A CB -0.732 17.926 19.000 -0.569 0.000 0.801 299 A HN 0.377 nan 8.150 nan 0.000 0.452 300 V N -0.246 119.568 119.914 -0.166 0.000 2.515 300 V HA -0.223 3.897 4.120 -0.000 0.000 0.250 300 V C 2.183 178.245 176.094 -0.054 0.000 1.058 300 V CA 2.052 64.302 62.300 -0.085 0.000 1.064 300 V CB -0.547 31.236 31.823 -0.067 0.000 0.675 300 V HN 0.616 nan 8.190 nan 0.000 0.461 301 I N 0.707 121.245 120.570 -0.053 0.000 3.081 301 I HA 0.001 4.171 4.170 -0.000 0.000 0.274 301 I C 1.624 177.744 176.117 0.005 0.000 1.178 301 I CA 0.829 62.113 61.300 -0.026 0.000 1.460 301 I CB -0.178 37.803 38.000 -0.033 0.000 1.137 301 I HN 0.418 nan 8.210 nan 0.000 0.443 302 D N 0.229 120.626 120.400 -0.004 0.000 2.340 302 D HA -0.025 4.615 4.640 -0.000 0.000 0.217 302 D C 1.794 178.115 176.300 0.035 0.000 1.081 302 D CA 0.010 54.032 54.000 0.037 0.000 0.842 302 D CB -0.023 40.824 40.800 0.078 0.000 0.934 302 D HN 0.111 nan 8.370 nan 0.000 0.511 303 R N -0.284 120.218 120.500 0.003 0.000 2.052 303 R HA 0.041 4.381 4.340 -0.000 0.000 0.224 303 R C 0.202 176.543 176.300 0.069 0.000 1.149 303 R CA 0.549 56.659 56.100 0.018 0.000 0.962 303 R CB 0.085 30.367 30.300 -0.030 0.000 0.856 303 R HN 0.055 nan 8.270 nan 0.000 0.433 304 Q N 1.581 121.429 119.800 0.080 0.000 2.274 304 Q HA -0.080 4.260 4.340 -0.000 0.000 0.280 304 Q C 0.207 176.280 176.000 0.121 0.000 1.047 304 Q CA 0.619 56.481 55.803 0.097 0.000 0.907 304 Q CB 1.074 29.877 28.738 0.109 0.000 1.171 304 Q HN 0.245 nan 8.270 nan 0.000 0.381 305 K N 3.324 123.790 120.400 0.109 0.000 2.504 305 K HA -0.104 4.216 4.320 -0.000 0.000 0.195 305 K C 0.507 177.168 176.600 0.102 0.000 1.036 305 K CA 0.995 57.347 56.287 0.109 0.000 0.984 305 K CB 0.393 32.945 32.500 0.087 0.000 0.788 305 K HN 0.565 nan 8.250 nan 0.000 0.488 306 N N -1.191 117.578 118.700 0.115 0.000 2.348 306 N HA -0.064 4.676 4.740 -0.000 0.000 0.183 306 N C -0.241 175.383 175.510 0.190 0.000 1.094 306 N CA 0.099 53.222 53.050 0.120 0.000 0.885 306 N CB 0.145 38.688 38.487 0.093 0.000 1.065 306 N HN 0.094 nan 8.380 nan 0.000 0.472 307 H N -0.798 118.330 119.070 0.098 0.000 2.894 307 H HA 0.615 5.170 4.556 -0.000 0.000 0.367 307 H C 0.173 175.625 175.328 0.208 0.000 1.144 307 H CA 0.673 56.814 56.048 0.154 0.000 1.180 307 H CB 1.729 31.576 29.762 0.142 0.000 1.758 307 H HN 0.422 nan 8.280 nan 0.000 0.541 308 G N 2.085 110.927 108.800 0.069 0.000 2.342 308 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.220 308 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.220 308 G C -1.462 173.536 174.900 0.164 0.000 1.243 308 G CA -0.369 44.773 45.100 0.071 0.000 1.083 308 G HN 0.635 nan 8.290 nan 0.000 0.500 309 I N 0.848 121.441 120.570 0.037 0.000 2.509 309 I HA 0.374 4.543 4.170 -0.000 0.000 0.293 309 I C 0.461 176.639 176.117 0.102 0.000 1.020 309 I CA -0.896 60.422 61.300 0.031 0.000 1.088 309 I CB 2.022 39.950 38.000 -0.118 0.000 1.267 309 I HN 0.685 nan 8.210 nan 0.000 0.430 310 H N 4.681 123.772 119.070 0.034 0.000 2.652 310 H HA 0.053 4.609 4.556 -0.000 0.000 0.349 310 H C 0.481 175.879 175.328 0.116 0.000 1.099 310 H CA 0.129 56.230 56.048 0.089 0.000 1.417 310 H CB 1.039 30.844 29.762 0.071 0.000 1.457 310 H HN 0.665 nan 8.280 nan 0.000 0.568 311 F N 5.490 125.028 119.950 -0.687 0.000 2.115 311 F HA -0.282 4.245 4.527 -0.000 0.000 0.300 311 F C 2.783 178.316 175.800 -0.445 0.000 1.092 311 F CA 2.076 59.763 58.000 -0.523 0.000 1.245 311 F CB -0.152 38.464 39.000 -0.640 0.000 0.995 311 F HN 0.698 nan 8.300 nan 0.000 0.481 312 R N -0.154 120.196 120.500 -0.250 0.000 2.170 312 R HA -0.165 4.174 4.340 -0.000 0.000 0.242 312 R C 1.736 177.991 176.300 -0.074 0.000 1.145 312 R CA 2.023 58.113 56.100 -0.017 0.000 0.984 312 R CB -1.363 29.218 30.300 0.468 0.000 0.869 312 R HN 0.328 nan 8.270 nan 0.000 0.455 313 V N 1.121 121.016 119.914 -0.031 0.000 2.407 313 V HA -0.164 3.956 4.120 -0.000 0.000 0.245 313 V C 2.396 178.475 176.094 -0.025 0.000 1.041 313 V CA 1.020 63.320 62.300 -0.000 0.000 1.040 313 V CB -0.441 31.393 31.823 0.018 0.000 0.671 313 V HN 0.151 nan 8.190 nan 0.000 0.455 314 L N 0.827 121.976 121.223 -0.124 0.000 2.013 314 L HA -0.185 4.155 4.340 -0.000 0.000 0.212 314 L C 2.634 179.337 176.870 -0.278 0.000 1.073 314 L CA 2.431 57.226 54.840 -0.074 0.000 0.753 314 L CB -1.360 40.638 42.059 -0.101 0.000 0.890 314 L HN 0.312 nan 8.230 nan 0.000 0.432 315 A N -1.185 121.165 122.820 -0.783 0.000 1.908 315 A HA -0.258 4.062 4.320 -0.000 0.000 0.218 315 A C 2.376 179.796 177.584 -0.273 0.000 1.181 315 A CA 1.937 53.569 52.037 -0.677 0.000 0.627 315 A CB -0.431 18.094 19.000 -0.791 0.000 0.818 315 A HN 0.415 nan 8.150 nan 0.000 0.445 316 K N -0.517 119.813 120.400 -0.117 0.000 2.002 316 K HA -0.042 4.277 4.320 -0.000 0.000 0.209 316 K C 2.342 178.905 176.600 -0.060 0.000 1.048 316 K CA 1.090 57.421 56.287 0.073 0.000 0.930 316 K CB -0.381 32.227 32.500 0.180 0.000 0.714 316 K HN 0.421 nan 8.250 nan 0.000 0.438 317 A N 1.346 124.104 122.820 -0.104 0.000 1.997 317 A HA -0.210 4.110 4.320 -0.000 0.000 0.221 317 A C 2.101 179.540 177.584 -0.240 0.000 1.172 317 A CA 1.464 53.345 52.037 -0.259 0.000 0.645 317 A CB -0.545 18.244 19.000 -0.351 0.000 0.813 317 A HN 0.291 nan 8.150 nan 0.000 0.454 318 L N -0.681 120.425 121.223 -0.194 0.000 2.049 318 L HA -0.038 4.302 4.340 -0.000 0.000 0.203 318 L C 2.529 179.214 176.870 -0.309 0.000 1.074 318 L CA 2.025 56.676 54.840 -0.315 0.000 0.749 318 L CB -0.340 41.341 42.059 -0.631 0.000 0.907 318 L HN 0.433 nan 8.230 nan 0.000 0.439 319 R N -0.595 119.700 120.500 -0.343 0.000 2.261 319 R HA -0.177 4.163 4.340 -0.000 0.000 0.236 319 R C 1.779 177.847 176.300 -0.386 0.000 1.141 319 R CA 1.873 57.717 56.100 -0.426 0.000 1.001 319 R CB -0.345 29.575 30.300 -0.633 0.000 0.866 319 R HN 0.438 nan 8.270 nan 0.000 0.468 320 M N -1.335 118.059 119.600 -0.344 0.000 2.412 320 M HA 0.032 4.512 4.480 -0.000 0.000 0.263 320 M C 2.286 178.504 176.300 -0.138 0.000 1.122 320 M CA 1.350 56.407 55.300 -0.405 0.000 1.179 320 M CB 0.049 32.172 32.600 -0.795 0.000 1.335 320 M HN 0.285 nan 8.290 nan 0.000 0.465 321 S N -0.180 115.439 115.700 -0.135 0.000 2.368 321 S HA 0.090 4.560 4.470 -0.000 0.000 0.224 321 S C 0.786 175.366 174.600 -0.033 0.000 1.029 321 S CA 1.297 59.488 58.200 -0.015 0.000 0.988 321 S CB -0.199 63.017 63.200 0.027 0.000 0.838 321 S HN 0.624 nan 8.310 nan 0.000 0.462 322 G N -1.387 107.351 108.800 -0.104 0.000 3.088 322 G HA2 0.432 4.392 3.960 -0.000 0.000 0.620 322 G HA3 0.432 4.392 3.960 -0.000 0.000 0.620 322 G C -0.324 174.490 174.900 -0.143 0.000 1.375 322 G CA -0.451 44.584 45.100 -0.108 0.000 1.016 322 G HN 1.050 nan 8.290 nan 0.000 0.590 323 G N 0.551 109.252 108.800 -0.165 0.000 2.655 323 G HA2 0.614 4.574 3.960 -0.000 0.000 0.296 323 G HA3 0.614 4.574 3.960 -0.000 0.000 0.296 323 G C -0.242 174.573 174.900 -0.142 0.000 1.485 323 G CA 0.233 45.229 45.100 -0.174 0.000 0.869 323 G HN 0.333 nan 8.290 nan 0.000 0.540 324 D N -0.556 119.770 120.400 -0.123 0.000 2.394 324 D HA 0.103 4.743 4.640 -0.000 0.000 0.226 324 D C 0.300 176.628 176.300 0.047 0.000 0.990 324 D CA 0.934 54.903 54.000 -0.052 0.000 0.902 324 D CB 0.419 41.191 40.800 -0.045 0.000 1.038 324 D HN 0.561 nan 8.370 nan 0.000 0.499 325 H N -0.500 118.486 119.070 -0.140 0.000 2.569 325 H HA 0.640 5.196 4.556 -0.000 0.000 0.357 325 H C -0.732 174.473 175.328 -0.206 0.000 1.153 325 H CA -0.796 55.179 56.048 -0.121 0.000 1.193 325 H CB 3.005 32.766 29.762 -0.001 0.000 1.602 325 H HN -0.104 nan 8.280 nan 0.000 0.523 326 I N 1.217 121.771 120.570 -0.027 0.000 2.722 326 I HA 0.177 4.346 4.170 -0.000 0.000 0.295 326 I C -0.803 175.332 176.117 0.031 0.000 1.161 326 I CA -0.524 60.725 61.300 -0.086 0.000 1.032 326 I CB 2.081 40.019 38.000 -0.103 0.000 1.244 326 I HN 0.674 nan 8.210 nan 0.000 0.421 327 H N 4.621 123.583 119.070 -0.179 0.000 2.646 327 H HA 0.214 4.769 4.556 -0.000 0.000 0.325 327 H C 0.364 175.615 175.328 -0.128 0.000 1.075 327 H CA -0.005 55.928 56.048 -0.192 0.000 1.421 327 H CB 1.272 30.853 29.762 -0.302 0.000 1.461 327 H HN 0.650 nan 8.280 nan 0.000 0.525 328 S N 2.081 117.788 115.700 0.012 0.000 2.559 328 S HA 0.316 4.786 4.470 -0.000 0.000 0.226 328 S C 0.981 175.681 174.600 0.167 0.000 1.000 328 S CA 0.046 58.356 58.200 0.183 0.000 0.948 328 S CB 0.909 64.273 63.200 0.272 0.000 0.870 328 S HN 1.038 nan 8.310 nan 0.000 0.497 329 G N 1.018 109.811 108.800 -0.010 0.000 2.661 329 G HA2 -0.042 3.917 3.960 -0.000 0.000 0.685 329 G HA3 -0.042 3.917 3.960 -0.000 0.000 0.685 329 G C 0.202 175.150 174.900 0.080 0.000 1.298 329 G CA 0.063 45.173 45.100 0.017 0.000 0.855 329 G HN 0.916 nan 8.290 nan 0.000 0.560 330 T N -3.022 111.566 114.554 0.057 0.000 2.959 330 T HA 0.507 4.857 4.350 -0.000 0.000 0.254 330 T C 1.777 176.539 174.700 0.103 0.000 1.003 330 T CA 1.232 63.391 62.100 0.099 0.000 0.950 330 T CB 0.629 69.445 68.868 -0.085 0.000 1.090 330 T HN 2.253 nan 8.240 nan 0.000 0.503 331 V N 0.441 120.392 119.914 0.062 0.000 0.582 331 V HA -0.306 3.814 4.120 -0.000 0.000 0.092 331 V C 1.769 177.894 176.094 0.052 0.000 1.874 331 V CA 1.872 64.198 62.300 0.043 0.000 3.418 331 V CB -1.558 30.270 31.823 0.008 0.000 0.707 331 V HN 0.402 nan 8.190 nan 0.000 0.732 332 V N 1.417 121.366 119.914 0.059 0.000 3.623 332 V HA 0.431 4.551 4.120 -0.000 0.000 0.274 332 V C 0.991 177.100 176.094 0.024 0.000 1.244 332 V CA 1.650 64.013 62.300 0.104 0.000 1.182 332 V CB -0.360 31.544 31.823 0.135 0.000 0.925 332 V HN 0.838 nan 8.190 nan 0.000 0.462 333 G N -0.439 108.300 108.800 -0.101 0.000 3.222 333 G HA2 0.313 4.272 3.960 -0.000 0.000 0.263 333 G HA3 0.313 4.272 3.960 -0.000 0.000 0.263 333 G C 0.662 175.227 174.900 -0.558 0.000 1.312 333 G CA 0.142 45.017 45.100 -0.375 0.000 0.934 333 G HN 0.185 nan 8.290 nan 0.000 0.577 334 K N -0.964 118.829 120.400 -1.013 0.000 2.281 334 K HA 0.015 4.335 4.320 -0.000 0.000 0.203 334 K C 0.162 176.555 176.600 -0.344 0.000 1.046 334 K CA 0.949 56.745 56.287 -0.817 0.000 0.938 334 K CB -0.445 31.615 32.500 -0.733 0.000 0.737 334 K HN 0.269 nan 8.250 nan 0.000 0.458 335 L N 0.975 122.056 121.223 -0.238 0.000 2.319 335 L HA 0.374 4.714 4.340 -0.000 0.000 0.267 335 L C -0.124 176.700 176.870 -0.078 0.000 1.011 335 L CA -1.348 53.411 54.840 -0.134 0.000 0.818 335 L CB 1.500 43.497 42.059 -0.105 0.000 1.316 335 L HN 0.015 nan 8.230 nan 0.000 0.432 336 E N 0.412 120.580 120.200 -0.054 0.000 2.459 336 E HA 0.388 4.738 4.350 -0.000 0.000 0.264 336 E C -0.231 176.383 176.600 0.024 0.000 1.055 336 E CA 0.767 57.162 56.400 -0.009 0.000 0.957 336 E CB 0.529 30.224 29.700 -0.008 0.000 0.952 336 E HN 0.784 nan 8.360 nan 0.000 0.448 337 G N 2.788 111.622 108.800 0.057 0.000 1.834 337 G HA2 0.124 4.084 3.960 -0.000 0.000 0.247 337 G HA3 0.124 4.084 3.960 -0.000 0.000 0.247 337 G C -1.511 173.433 174.900 0.073 0.000 1.691 337 G CA -0.851 44.300 45.100 0.084 0.000 0.922 337 G HN 0.396 nan 8.290 nan 0.000 0.682 338 E N 1.324 121.574 120.200 0.084 0.000 2.231 338 E HA 0.461 4.810 4.350 -0.000 0.000 0.277 338 E C 1.515 178.113 176.600 -0.004 0.000 0.999 338 E CA -1.147 55.282 56.400 0.048 0.000 0.827 338 E CB 1.571 31.307 29.700 0.059 0.000 1.101 338 E HN 0.503 nan 8.360 nan 0.000 0.393 339 R N 2.817 123.299 120.500 -0.030 0.000 2.162 339 R HA -0.249 4.091 4.340 -0.000 0.000 0.245 339 R C 0.686 176.923 176.300 -0.106 0.000 1.129 339 R CA 2.491 58.542 56.100 -0.082 0.000 0.940 339 R CB -0.032 30.231 30.300 -0.063 0.000 0.875 339 R HN 0.580 nan 8.270 nan 0.000 0.437 340 D N 0.014 120.376 120.400 -0.063 0.000 2.117 340 D HA -0.143 4.497 4.640 -0.000 0.000 0.198 340 D C 2.011 178.266 176.300 -0.076 0.000 0.982 340 D CA 1.003 54.967 54.000 -0.060 0.000 0.828 340 D CB -0.127 40.657 40.800 -0.026 0.000 0.967 340 D HN 0.237 nan 8.370 nan 0.000 0.464 341 I N 1.368 121.908 120.570 -0.049 0.000 2.163 341 I HA -0.183 3.987 4.170 -0.000 0.000 0.240 341 I C 2.443 178.348 176.117 -0.353 0.000 1.081 341 I CA 1.109 62.400 61.300 -0.015 0.000 1.353 341 I CB -1.510 36.588 38.000 0.163 0.000 1.054 341 I HN -0.031 nan 8.210 nan 0.000 0.407 342 T N 1.858 116.138 114.554 -0.456 0.000 2.684 342 T HA -0.155 4.195 4.350 -0.000 0.000 0.267 342 T C 2.150 176.472 174.700 -0.631 0.000 1.036 342 T CA 1.223 62.805 62.100 -0.862 0.000 1.148 342 T CB -0.407 68.247 68.868 -0.355 0.000 0.863 342 T HN 0.230 nan 8.240 nan 0.000 0.436 343 L N 0.541 121.570 121.223 -0.323 0.000 2.127 343 L HA -0.085 4.255 4.340 -0.000 0.000 0.211 343 L C 2.920 179.724 176.870 -0.109 0.000 1.089 343 L CA 1.403 56.132 54.840 -0.184 0.000 0.757 343 L CB -1.136 40.844 42.059 -0.132 0.000 0.899 343 L HN 0.381 nan 8.230 nan 0.000 0.434 344 G N 1.133 109.862 108.800 -0.117 0.000 2.484 344 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.215 344 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.215 344 G C 1.257 176.232 174.900 0.126 0.000 1.219 344 G CA 0.978 46.089 45.100 0.019 0.000 0.791 344 G HN 0.456 nan 8.290 nan 0.000 0.550 345 F N 0.648 120.716 119.950 0.197 0.000 2.456 345 F HA 0.237 4.764 4.527 -0.000 0.000 0.298 345 F C 2.244 178.157 175.800 0.188 0.000 1.104 345 F CA -0.058 58.067 58.000 0.209 0.000 1.435 345 F CB -0.994 38.161 39.000 0.258 0.000 1.078 345 F HN -0.001 nan 8.300 nan 0.000 0.546 346 V N 1.736 121.813 119.914 0.272 0.000 2.287 346 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 346 V C 2.179 178.403 176.094 0.218 0.000 1.053 346 V CA 2.447 64.913 62.300 0.276 0.000 1.027 346 V CB -0.681 31.264 31.823 0.203 0.000 0.646 346 V HN 0.277 nan 8.190 nan 0.000 0.447 347 D N -0.035 120.469 120.400 0.174 0.000 2.144 347 D HA -0.137 4.502 4.640 -0.000 0.000 0.199 347 D C 2.131 178.567 176.300 0.227 0.000 0.984 347 D CA 1.089 55.190 54.000 0.168 0.000 0.834 347 D CB -0.301 40.581 40.800 0.136 0.000 0.955 347 D HN 0.351 nan 8.370 nan 0.000 0.465 348 L N 0.031 121.422 121.223 0.279 0.000 2.127 348 L HA -0.176 4.164 4.340 -0.000 0.000 0.211 348 L C 2.232 179.284 176.870 0.302 0.000 1.089 348 L CA 0.414 55.476 54.840 0.370 0.000 0.757 348 L CB -0.172 42.106 42.059 0.364 0.000 0.899 348 L HN 0.075 nan 8.230 nan 0.000 0.434 349 L N -0.469 120.860 121.223 0.177 0.000 2.095 349 L HA -0.084 4.256 4.340 -0.000 0.000 0.204 349 L C 2.635 179.471 176.870 -0.057 0.000 1.080 349 L CA 1.726 56.577 54.840 0.019 0.000 0.759 349 L CB -0.649 41.464 42.059 0.090 0.000 0.914 349 L HN 0.192 nan 8.230 nan 0.000 0.439 350 R N -1.300 119.219 120.500 0.031 0.000 2.123 350 R HA 0.105 4.445 4.340 -0.000 0.000 0.209 350 R C 0.145 176.475 176.300 0.050 0.000 1.078 350 R CA -0.188 55.925 56.100 0.021 0.000 1.028 350 R CB -0.131 30.207 30.300 0.063 0.000 0.939 350 R HN 0.238 nan 8.270 nan 0.000 0.463 351 D N 0.996 121.470 120.400 0.123 0.000 2.363 351 D HA -0.039 4.600 4.640 -0.000 0.000 0.240 351 D C 0.456 176.910 176.300 0.256 0.000 1.236 351 D CA 0.236 54.342 54.000 0.177 0.000 0.927 351 D CB 0.632 41.555 40.800 0.205 0.000 1.150 351 D HN -0.036 nan 8.370 nan 0.000 0.458 352 D N -1.385 119.179 120.400 0.273 0.000 2.201 352 D HA -0.005 4.635 4.640 -0.000 0.000 0.209 352 D C -0.444 176.121 176.300 0.442 0.000 0.961 352 D CA 0.359 54.562 54.000 0.339 0.000 0.861 352 D CB 0.264 41.207 40.800 0.238 0.000 0.997 352 D HN 0.193 nan 8.370 nan 0.000 0.486 353 F N 0.503 120.562 119.950 0.181 0.000 2.518 353 F HA 0.509 5.035 4.527 -0.000 0.000 0.323 353 F C -1.355 174.510 175.800 0.109 0.000 1.129 353 F CA -0.868 57.199 58.000 0.111 0.000 0.920 353 F CB 1.808 40.852 39.000 0.074 0.000 1.160 353 F HN -0.352 nan 8.300 nan 0.000 0.440 354 V N 4.773 124.550 119.914 -0.228 0.000 2.443 354 V HA 0.292 4.412 4.120 -0.000 0.000 0.293 354 V C -0.548 175.397 176.094 -0.248 0.000 1.021 354 V CA -0.808 61.450 62.300 -0.069 0.000 0.848 354 V CB 1.513 33.355 31.823 0.033 0.000 0.998 354 V HN 0.637 nan 8.190 nan 0.000 0.424 355 E N 3.253 123.440 120.200 -0.023 0.000 2.338 355 E HA 0.193 4.543 4.350 -0.000 0.000 0.272 355 E C 0.198 176.806 176.600 0.014 0.000 1.029 355 E CA -0.022 56.399 56.400 0.035 0.000 0.872 355 E CB 0.822 30.622 29.700 0.166 0.000 1.015 355 E HN 0.717 nan 8.360 nan 0.000 0.417 356 Q N 2.955 122.761 119.800 0.010 0.000 2.283 356 Q HA -0.063 4.276 4.340 -0.000 0.000 0.301 356 Q C -0.950 175.051 176.000 0.001 0.000 1.063 356 Q CA 0.552 56.363 55.803 0.013 0.000 0.952 356 Q CB 0.374 29.126 28.738 0.022 0.000 1.166 356 Q HN 0.411 nan 8.270 nan 0.000 0.381 357 D N 2.994 123.383 120.400 -0.017 0.000 2.337 357 D HA 0.173 4.813 4.640 -0.000 0.000 0.238 357 D C -0.019 176.236 176.300 -0.075 0.000 1.331 357 D CA -0.448 53.534 54.000 -0.031 0.000 0.967 357 D CB 0.579 41.379 40.800 -0.000 0.000 1.382 357 D HN 0.699 nan 8.370 nan 0.000 0.549 358 R N 1.019 121.435 120.500 -0.141 0.000 2.211 358 R HA -0.162 4.177 4.340 -0.000 0.000 0.240 358 R C 2.046 178.257 176.300 -0.149 0.000 1.144 358 R CA 1.604 57.562 56.100 -0.236 0.000 0.992 358 R CB -0.008 30.101 30.300 -0.318 0.000 0.869 358 R HN 0.556 nan 8.270 nan 0.000 0.462 359 S N 0.934 116.582 115.700 -0.086 0.000 2.354 359 S HA -0.209 4.261 4.470 -0.000 0.000 0.219 359 S C 1.687 176.264 174.600 -0.038 0.000 1.035 359 S CA 1.044 59.213 58.200 -0.052 0.000 1.037 359 S CB -0.175 63.004 63.200 -0.034 0.000 0.956 359 S HN 0.316 nan 8.310 nan 0.000 0.428 360 R N 1.093 121.580 120.500 -0.022 0.000 2.346 360 R HA 0.238 4.578 4.340 -0.000 0.000 0.225 360 R C 1.441 177.764 176.300 0.037 0.000 0.987 360 R CA 0.443 56.544 56.100 0.003 0.000 1.106 360 R CB -0.512 29.793 30.300 0.009 0.000 1.090 360 R HN 0.774 nan 8.270 nan 0.000 0.502 361 G N 1.213 110.028 108.800 0.026 0.000 2.159 361 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.256 361 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.256 361 G C 0.233 175.265 174.900 0.221 0.000 0.977 361 G CA -0.262 44.901 45.100 0.106 0.000 0.652 361 G HN 0.325 nan 8.290 nan 0.000 0.531 362 I N 1.609 122.250 120.570 0.119 0.000 2.260 362 I HA 0.229 4.399 4.170 -0.000 0.000 0.297 362 I C 1.397 177.577 176.117 0.105 0.000 1.143 362 I CA -0.831 60.566 61.300 0.162 0.000 1.271 362 I CB 0.096 38.157 38.000 0.103 0.000 1.461 362 I HN 0.056 nan 8.210 nan 0.000 0.530 363 Y N 5.041 125.244 120.300 -0.162 0.000 2.497 363 Y HA 0.039 4.589 4.550 -0.000 0.000 0.292 363 Y C 0.395 175.951 175.900 -0.573 0.000 1.137 363 Y CA 0.428 58.281 58.100 -0.412 0.000 1.285 363 Y CB -0.451 37.574 38.460 -0.725 0.000 0.991 363 Y HN 0.293 nan 8.280 nan 0.000 0.556 364 F N -2.105 117.940 119.950 0.159 0.000 2.588 364 F HA 0.411 4.937 4.527 -0.000 0.000 0.314 364 F C 0.324 176.096 175.800 -0.045 0.000 1.069 364 F CA -1.716 56.322 58.000 0.064 0.000 0.931 364 F CB 0.916 39.940 39.000 0.039 0.000 1.260 364 F HN -0.519 nan 8.300 nan 0.000 0.465 365 T N 1.463 116.083 114.554 0.110 0.000 2.901 365 T HA 0.254 4.604 4.350 -0.000 0.000 0.301 365 T C -0.502 174.027 174.700 -0.284 0.000 1.012 365 T CA -0.076 61.938 62.100 -0.144 0.000 1.135 365 T CB 0.686 69.463 68.868 -0.150 0.000 0.936 365 T HN 0.403 nan 8.240 nan 0.000 0.539 366 Q N 2.632 122.148 119.800 -0.473 0.000 2.333 366 Q HA 0.394 4.733 4.340 -0.000 0.000 0.268 366 Q C -1.442 174.118 176.000 -0.733 0.000 1.007 366 Q CA -0.740 54.716 55.803 -0.578 0.000 0.810 366 Q CB 1.361 29.734 28.738 -0.608 0.000 1.264 366 Q HN 0.568 nan 8.270 nan 0.000 0.452 367 D N 2.881 122.928 120.400 -0.589 0.000 2.344 367 D HA 0.239 4.879 4.640 -0.000 0.000 0.239 367 D C -0.694 175.480 176.300 -0.210 0.000 1.064 367 D CA -0.351 53.486 54.000 -0.272 0.000 0.829 367 D CB 0.591 41.407 40.800 0.027 0.000 1.129 367 D HN 0.698 nan 8.370 nan 0.000 0.506 368 W N 3.259 124.583 121.300 0.039 0.000 3.330 368 W HA 0.107 4.767 4.660 -0.000 0.000 0.348 368 W C 0.797 177.339 176.519 0.038 0.000 1.205 368 W CA -0.597 56.758 57.345 0.017 0.000 1.841 368 W CB 0.071 29.534 29.460 0.005 0.000 1.084 368 W HN 0.369 nan 8.180 nan 0.000 0.665 369 V N -0.127 119.940 119.914 0.255 0.000 5.620 369 V HA -0.389 3.731 4.120 -0.000 0.000 0.192 369 V C 0.758 176.950 176.094 0.163 0.000 0.714 369 V CA 0.682 63.089 62.300 0.178 0.000 0.544 369 V CB -2.325 29.578 31.823 0.133 0.000 0.189 369 V HN 0.484 nan 8.190 nan 0.000 0.450 370 S N -1.829 113.971 115.700 0.168 0.000 3.445 370 S HA -0.235 4.235 4.470 -0.000 0.000 0.319 370 S C 0.301 174.953 174.600 0.086 0.000 1.209 370 S CA 1.093 59.362 58.200 0.115 0.000 0.934 370 S CB -1.271 61.978 63.200 0.081 0.000 0.999 370 S HN 1.711 nan 8.310 nan 0.000 0.582 371 L N 2.284 123.570 121.223 0.105 0.000 2.456 371 L HA 0.373 4.713 4.340 -0.000 0.000 0.272 371 L C -1.927 174.894 176.870 -0.082 0.000 1.189 371 L CA -1.130 53.706 54.840 -0.006 0.000 0.846 371 L CB -0.099 41.951 42.059 -0.015 0.000 1.111 371 L HN -0.147 nan 8.230 nan 0.000 0.475 372 P HA 0.175 nan 4.420 nan 0.000 0.268 372 P C -0.636 176.566 177.300 -0.164 0.000 1.208 372 P CA -0.124 62.924 63.100 -0.087 0.000 0.777 372 P CB 0.434 32.094 31.700 -0.067 0.000 0.875 373 G N 0.767 109.497 108.800 -0.117 0.000 2.389 373 G HA2 0.487 4.447 3.960 -0.000 0.000 0.317 373 G HA3 0.487 4.447 3.960 -0.000 0.000 0.317 373 G C -0.827 174.013 174.900 -0.101 0.000 1.137 373 G CA -0.413 44.603 45.100 -0.141 0.000 0.870 373 G HN 0.343 nan 8.290 nan 0.000 0.496 374 V N 2.085 121.926 119.914 -0.122 0.000 2.539 374 V HA 0.259 4.379 4.120 -0.000 0.000 0.292 374 V C -0.020 176.062 176.094 -0.020 0.000 1.045 374 V CA -0.864 61.393 62.300 -0.073 0.000 0.945 374 V CB 1.648 33.389 31.823 -0.136 0.000 0.993 374 V HN 0.546 nan 8.190 nan 0.000 0.464 375 L N 8.123 129.353 121.223 0.012 0.000 2.315 375 L HA 0.377 4.717 4.340 -0.000 0.000 0.283 375 L C -1.905 174.929 176.870 -0.059 0.000 1.089 375 L CA -1.527 53.300 54.840 -0.021 0.000 0.833 375 L CB 0.782 42.810 42.059 -0.051 0.000 1.170 375 L HN 0.466 nan 8.230 nan 0.000 0.442 376 P HA 0.118 nan 4.420 nan 0.000 0.275 376 P C -1.108 176.047 177.300 -0.243 0.000 1.227 376 P CA -0.247 62.808 63.100 -0.074 0.000 0.781 376 P CB 1.409 33.122 31.700 0.022 0.000 0.906 377 V N 2.724 122.475 119.914 -0.272 0.000 2.384 377 V HA 0.518 4.638 4.120 -0.000 0.000 0.287 377 V C 0.558 176.346 176.094 -0.511 0.000 1.020 377 V CA -0.832 61.230 62.300 -0.397 0.000 0.850 377 V CB 1.144 32.770 31.823 -0.330 0.000 0.987 377 V HN 0.697 nan 8.190 nan 0.000 0.436 378 A N 3.720 126.175 122.820 -0.609 0.000 2.280 378 A HA 0.802 5.122 4.320 -0.000 0.000 0.320 378 A C 0.004 177.291 177.584 -0.496 0.000 1.366 378 A CA -0.214 51.485 52.037 -0.564 0.000 0.938 378 A CB 0.844 19.434 19.000 -0.684 0.000 1.157 378 A HN 0.755 nan 8.150 nan 0.000 0.536 379 S N 1.185 116.634 115.700 -0.418 0.000 2.550 379 S HA 0.792 5.262 4.470 -0.000 0.000 0.270 379 S C -0.451 173.988 174.600 -0.268 0.000 1.145 379 S CA 0.348 58.316 58.200 -0.387 0.000 0.852 379 S CB 1.571 64.544 63.200 -0.379 0.000 1.119 379 S HN 2.501 nan 8.310 nan 0.000 0.465 380 G N 1.306 109.950 108.800 -0.259 0.000 3.224 380 G HA2 0.427 4.386 3.960 -0.000 0.000 0.684 380 G HA3 0.427 4.386 3.960 -0.000 0.000 0.684 380 G C 0.736 175.449 174.900 -0.311 0.000 1.180 380 G CA 0.134 45.105 45.100 -0.214 0.000 1.099 380 G HN 2.040 nan 8.290 nan 0.000 0.476 381 G N 0.660 109.304 108.800 -0.260 0.000 2.314 381 G HA2 0.091 4.050 3.960 -0.000 0.000 0.292 381 G HA3 0.091 4.050 3.960 -0.000 0.000 0.292 381 G C 0.504 175.247 174.900 -0.262 0.000 1.059 381 G CA 1.013 45.936 45.100 -0.295 0.000 0.982 381 G HN 2.325 nan 8.290 nan 0.000 0.505 382 I N -2.340 118.108 120.570 -0.203 0.000 2.603 382 I HA 0.984 5.154 4.170 -0.000 0.000 0.300 382 I C -0.031 176.191 176.117 0.174 0.000 1.017 382 I CA -1.584 59.546 61.300 -0.284 0.000 1.098 382 I CB 2.135 39.926 38.000 -0.349 0.000 1.279 382 I HN 0.337 nan 8.210 nan 0.000 0.437 383 H N 1.386 120.797 119.070 0.568 0.000 2.966 383 H HA 0.445 5.000 4.556 -0.000 0.000 0.330 383 H C 0.326 175.779 175.328 0.209 0.000 1.292 383 H CA -0.933 55.237 56.048 0.203 0.000 1.127 383 H CB 0.935 30.634 29.762 -0.105 0.000 1.863 383 H HN 0.229 nan 8.280 nan 0.000 0.543 384 V N -0.283 119.700 119.914 0.116 0.000 2.257 384 V HA -0.365 3.755 4.120 -0.000 0.000 0.257 384 V C 1.174 177.232 176.094 -0.061 0.000 1.077 384 V CA 2.664 64.891 62.300 -0.121 0.000 1.063 384 V CB -0.697 31.000 31.823 -0.211 0.000 0.664 384 V HN 0.865 nan 8.190 nan 0.000 0.450 385 W N -1.038 120.429 121.300 0.279 0.000 2.747 385 W HA -0.057 4.603 4.660 -0.000 0.000 0.244 385 W C 2.117 178.606 176.519 -0.049 0.000 1.270 385 W CA 0.851 58.261 57.345 0.108 0.000 1.333 385 W CB -0.372 29.169 29.460 0.135 0.000 1.139 385 W HN 0.451 nan 8.180 nan 0.000 0.662 386 H N -1.365 117.803 119.070 0.163 0.000 2.586 386 H HA 0.121 4.677 4.556 -0.000 0.000 0.273 386 H C 1.782 177.188 175.328 0.130 0.000 0.997 386 H CA 0.271 56.388 56.048 0.115 0.000 1.177 386 H CB 0.007 29.788 29.762 0.031 0.000 1.471 386 H HN 0.140 nan 8.280 nan 0.000 0.538 387 M N 2.423 122.151 119.600 0.213 0.000 2.226 387 M HA -0.140 4.340 4.480 -0.000 0.000 0.257 387 M C -0.803 175.584 176.300 0.145 0.000 1.070 387 M CA 2.065 57.462 55.300 0.162 0.000 1.087 387 M CB -0.997 31.637 32.600 0.057 0.000 1.278 387 M HN 0.104 nan 8.290 nan 0.000 0.426 388 P HA -0.082 nan 4.420 nan 0.000 0.218 388 P C 0.910 178.273 177.300 0.104 0.000 1.148 388 P CA 2.248 65.409 63.100 0.101 0.000 0.822 388 P CB -0.376 31.380 31.700 0.093 0.000 0.784 389 A N -0.063 122.832 122.820 0.124 0.000 1.872 389 A HA -0.067 4.253 4.320 -0.000 0.000 0.214 389 A C 2.417 180.057 177.584 0.093 0.000 1.187 389 A CA 1.045 53.143 52.037 0.101 0.000 0.614 389 A CB -1.508 17.567 19.000 0.125 0.000 0.826 389 A HN 0.079 nan 8.150 nan 0.000 0.442 390 L N -0.515 120.808 121.223 0.166 0.000 1.970 390 L HA -0.209 4.130 4.340 -0.000 0.000 0.212 390 L C 2.827 179.841 176.870 0.241 0.000 1.071 390 L CA 1.988 56.982 54.840 0.257 0.000 0.751 390 L CB -1.202 41.019 42.059 0.270 0.000 0.889 390 L HN 0.351 nan 8.230 nan 0.000 0.432 391 T N -0.978 113.684 114.554 0.181 0.000 2.685 391 T HA -0.282 4.067 4.350 -0.000 0.000 0.268 391 T C 1.781 176.542 174.700 0.101 0.000 1.034 391 T CA 1.745 63.931 62.100 0.143 0.000 1.149 391 T CB -0.259 68.673 68.868 0.106 0.000 0.860 391 T HN 0.344 nan 8.240 nan 0.000 0.449 392 E N 0.895 121.132 120.200 0.060 0.000 2.007 392 E HA -0.089 4.261 4.350 -0.000 0.000 0.194 392 E C 2.335 178.905 176.600 -0.049 0.000 0.999 392 E CA 1.104 57.512 56.400 0.014 0.000 0.811 392 E CB -0.305 29.400 29.700 0.009 0.000 0.762 392 E HN 0.485 nan 8.360 nan 0.000 0.450 393 I N -0.099 120.386 120.570 -0.141 0.000 2.226 393 I HA -0.256 3.913 4.170 -0.000 0.000 0.245 393 I C 2.080 177.918 176.117 -0.465 0.000 1.100 393 I CA 1.203 62.287 61.300 -0.359 0.000 1.374 393 I CB -0.310 37.316 38.000 -0.624 0.000 1.057 393 I HN 0.059 nan 8.210 nan 0.000 0.413 394 F N 0.431 120.387 119.950 0.009 0.000 2.656 394 F HA 0.352 4.879 4.527 -0.000 0.000 0.291 394 F C 1.516 177.325 175.800 0.016 0.000 1.122 394 F CA 0.488 58.492 58.000 0.007 0.000 1.427 394 F CB -0.474 38.524 39.000 -0.004 0.000 1.125 394 F HN 0.124 nan 8.300 nan 0.000 0.583 395 G N 0.808 109.713 108.800 0.175 0.000 2.860 395 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.553 395 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.553 395 G C 0.194 175.169 174.900 0.125 0.000 1.439 395 G CA -0.155 45.019 45.100 0.123 0.000 0.879 395 G HN 0.125 nan 8.290 nan 0.000 0.545 396 D N 0.396 120.851 120.400 0.093 0.000 2.116 396 D HA -0.066 4.574 4.640 -0.000 0.000 0.193 396 D C 1.156 177.496 176.300 0.065 0.000 0.998 396 D CA 1.768 55.813 54.000 0.076 0.000 0.836 396 D CB -0.214 40.630 40.800 0.073 0.000 0.951 396 D HN 0.507 nan 8.370 nan 0.000 0.449 397 D N 0.736 121.179 120.400 0.072 0.000 2.597 397 D HA 0.158 4.798 4.640 -0.000 0.000 0.228 397 D C 0.096 176.417 176.300 0.035 0.000 1.120 397 D CA 0.165 54.197 54.000 0.054 0.000 1.083 397 D CB -0.280 40.558 40.800 0.063 0.000 1.116 397 D HN 0.086 nan 8.370 nan 0.000 0.487 398 S N -1.363 114.331 115.700 -0.009 0.000 2.587 398 S HA 0.576 5.046 4.470 -0.000 0.000 0.269 398 S C -1.033 173.488 174.600 -0.133 0.000 1.154 398 S CA -0.945 57.193 58.200 -0.104 0.000 0.824 398 S CB 1.743 64.880 63.200 -0.104 0.000 1.118 398 S HN -0.073 nan 8.310 nan 0.000 0.462 399 V N 1.749 121.530 119.914 -0.222 0.000 2.444 399 V HA 0.520 4.640 4.120 -0.000 0.000 0.294 399 V C -0.890 175.057 176.094 -0.247 0.000 1.022 399 V CA -0.573 61.622 62.300 -0.175 0.000 0.850 399 V CB 1.163 32.866 31.823 -0.200 0.000 0.992 399 V HN 0.815 nan 8.190 nan 0.000 0.426 400 L N 5.246 126.354 121.223 -0.191 0.000 2.305 400 L HA 0.564 4.904 4.340 -0.000 0.000 0.284 400 L C -0.087 176.485 176.870 -0.497 0.000 1.013 400 L CA -0.369 54.266 54.840 -0.342 0.000 0.819 400 L CB 1.486 43.454 42.059 -0.151 0.000 1.227 400 L HN 0.582 nan 8.230 nan 0.000 0.417 401 Q N 3.449 122.838 119.800 -0.686 0.000 2.256 401 Q HA 0.499 4.839 4.340 -0.000 0.000 0.257 401 Q C -1.423 174.041 176.000 -0.894 0.000 0.936 401 Q CA -0.444 54.988 55.803 -0.619 0.000 0.903 401 Q CB 2.223 30.736 28.738 -0.374 0.000 1.263 401 Q HN 0.410 nan 8.270 nan 0.000 0.440 402 F N 0.823 120.708 119.950 -0.109 0.000 2.552 402 F HA 0.318 4.845 4.527 -0.000 0.000 0.369 402 F C 0.938 176.684 175.800 -0.091 0.000 1.112 402 F CA -0.754 57.179 58.000 -0.111 0.000 1.129 402 F CB 1.018 39.949 39.000 -0.114 0.000 1.360 402 F HN 0.726 nan 8.300 nan 0.000 0.473 403 G N 1.591 110.409 108.800 0.030 0.000 2.699 403 G HA2 0.012 3.972 3.960 -0.000 0.000 0.214 403 G HA3 0.012 3.972 3.960 -0.000 0.000 0.214 403 G C 1.745 176.673 174.900 0.048 0.000 1.350 403 G CA 0.688 45.802 45.100 0.022 0.000 0.873 403 G HN 0.729 nan 8.290 nan 0.000 0.570 404 G N 0.613 109.437 108.800 0.040 0.000 2.440 404 G HA2 0.054 4.013 3.960 -0.000 0.000 0.218 404 G HA3 0.054 4.013 3.960 -0.000 0.000 0.218 404 G C 1.749 176.659 174.900 0.016 0.000 1.154 404 G CA 1.364 46.503 45.100 0.065 0.000 0.767 404 G HN 0.747 nan 8.290 nan 0.000 0.552 405 G N -0.677 108.070 108.800 -0.088 0.000 2.564 405 G HA2 0.082 4.042 3.960 -0.000 0.000 0.216 405 G HA3 0.082 4.042 3.960 -0.000 0.000 0.216 405 G C 1.405 176.251 174.900 -0.090 0.000 1.124 405 G CA 1.745 46.676 45.100 -0.282 0.000 0.764 405 G HN 0.448 nan 8.290 nan 0.000 0.550 406 T N -0.131 114.461 114.554 0.064 0.000 3.272 406 T HA 0.096 4.446 4.350 -0.000 0.000 0.247 406 T C 1.899 176.675 174.700 0.126 0.000 0.990 406 T CA -0.203 61.944 62.100 0.077 0.000 1.213 406 T CB -0.118 68.775 68.868 0.042 0.000 1.124 406 T HN 0.022 nan 8.240 nan 0.000 0.401 407 L N 1.888 123.176 121.223 0.107 0.000 2.549 407 L HA 0.216 4.556 4.340 -0.000 0.000 0.229 407 L C 2.292 179.270 176.870 0.180 0.000 1.158 407 L CA 0.997 55.904 54.840 0.112 0.000 0.842 407 L CB -0.429 41.666 42.059 0.060 0.000 0.952 407 L HN 0.414 nan 8.230 nan 0.000 0.452 408 G N -2.843 106.130 108.800 0.288 0.000 2.939 408 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.210 408 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.210 408 G C 0.650 175.821 174.900 0.452 0.000 1.160 408 G CA -0.241 45.115 45.100 0.426 0.000 0.770 408 G HN 0.344 nan 8.290 nan 0.000 0.543 409 H N 1.983 121.247 119.070 0.323 0.000 2.815 409 H HA 0.104 4.660 4.556 -0.000 0.000 0.350 409 H C -1.024 174.282 175.328 -0.036 0.000 1.080 409 H CA -1.364 54.731 56.048 0.078 0.000 1.433 409 H CB 1.905 31.698 29.762 0.051 0.000 1.432 409 H HN -0.019 nan 8.280 nan 0.000 0.592 410 P HA -0.172 nan 4.420 nan 0.000 0.218 410 P C 0.434 177.895 177.300 0.267 0.000 1.146 410 P CA 1.290 64.303 63.100 -0.145 0.000 0.820 410 P CB 0.057 31.534 31.700 -0.372 0.000 0.778 411 W N 0.244 121.702 121.300 0.262 0.000 3.102 411 W HA 0.540 5.199 4.660 -0.000 0.000 0.401 411 W C 1.011 177.615 176.519 0.140 0.000 1.070 411 W CA -0.068 57.398 57.345 0.202 0.000 1.921 411 W CB -0.870 28.710 29.460 0.200 0.000 1.118 411 W HN 0.050 nan 8.180 nan 0.000 0.647 412 G N 1.564 110.553 108.800 0.314 0.000 2.760 412 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.246 412 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.246 412 G C 0.789 175.739 174.900 0.084 0.000 1.359 412 G CA -0.051 45.145 45.100 0.161 0.000 0.861 412 G HN 0.065 nan 8.290 nan 0.000 0.541 413 N N 0.123 118.838 118.700 0.026 0.000 2.018 413 N HA -0.075 4.665 4.740 -0.000 0.000 0.196 413 N C 2.851 178.307 175.510 -0.091 0.000 1.043 413 N CA 3.355 56.385 53.050 -0.034 0.000 0.856 413 N CB -0.755 37.706 38.487 -0.043 0.000 1.042 413 N HN 1.264 nan 8.380 nan 0.000 0.423 414 A N 1.366 124.128 122.820 -0.098 0.000 1.859 414 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 414 A C -0.156 177.344 177.584 -0.139 0.000 1.198 414 A CA 1.878 53.843 52.037 -0.120 0.000 0.629 414 A CB -1.744 17.192 19.000 -0.108 0.000 0.830 414 A HN 0.256 nan 8.150 nan 0.000 0.446 415 P HA -0.132 nan 4.420 nan 0.000 0.214 415 P C 1.764 178.704 177.300 -0.600 0.000 1.163 415 P CA 1.878 64.808 63.100 -0.283 0.000 0.889 415 P CB -0.538 31.092 31.700 -0.117 0.000 0.790 416 G N -0.322 108.067 108.800 -0.686 0.000 2.475 416 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.220 416 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.220 416 G C 1.604 176.352 174.900 -0.253 0.000 1.125 416 G CA 1.107 45.931 45.100 -0.460 0.000 0.755 416 G HN 0.369 nan 8.290 nan 0.000 0.565 417 A N 0.368 123.067 122.820 -0.201 0.000 1.832 417 A HA 0.065 4.384 4.320 -0.000 0.000 0.214 417 A C 2.614 180.098 177.584 -0.167 0.000 1.200 417 A CA 2.023 53.973 52.037 -0.145 0.000 0.610 417 A CB -0.919 18.013 19.000 -0.114 0.000 0.842 417 A HN 0.342 nan 8.150 nan 0.000 0.444 418 V N 0.429 120.240 119.914 -0.171 0.000 2.277 418 V HA -0.367 3.753 4.120 -0.000 0.000 0.253 418 V C 2.982 178.958 176.094 -0.196 0.000 1.067 418 V CA 2.347 64.554 62.300 -0.155 0.000 1.047 418 V CB -1.815 29.925 31.823 -0.138 0.000 0.649 418 V HN 0.681 nan 8.190 nan 0.000 0.447 419 A N 0.993 123.660 122.820 -0.255 0.000 1.859 419 A HA -0.398 3.922 4.320 -0.000 0.000 0.218 419 A C 2.008 179.437 177.584 -0.258 0.000 1.242 419 A CA 2.982 54.861 52.037 -0.263 0.000 0.661 419 A CB -1.264 17.600 19.000 -0.228 0.000 0.842 419 A HN 0.672 nan 8.150 nan 0.000 0.455 420 N N -1.073 117.455 118.700 -0.287 0.000 2.149 420 N HA -0.196 4.543 4.740 -0.000 0.000 0.188 420 N C 1.837 177.222 175.510 -0.209 0.000 1.019 420 N CA 1.688 54.525 53.050 -0.356 0.000 0.857 420 N CB -0.217 37.956 38.487 -0.524 0.000 0.997 420 N HN 0.564 nan 8.380 nan 0.000 0.426 421 R N 1.007 121.419 120.500 -0.147 0.000 2.073 421 R HA -0.013 4.327 4.340 -0.000 0.000 0.234 421 R C 1.699 177.963 176.300 -0.059 0.000 1.134 421 R CA 1.124 57.177 56.100 -0.078 0.000 0.952 421 R CB -0.822 29.443 30.300 -0.059 0.000 0.850 421 R HN 0.025 nan 8.270 nan 0.000 0.433 422 V N 1.164 121.026 119.914 -0.087 0.000 2.233 422 V HA -0.266 3.854 4.120 -0.000 0.000 0.247 422 V C 2.406 178.464 176.094 -0.060 0.000 1.050 422 V CA 2.142 64.409 62.300 -0.055 0.000 1.010 422 V CB -1.183 30.532 31.823 -0.180 0.000 0.637 422 V HN 0.593 nan 8.190 nan 0.000 0.444 423 A N -0.292 122.440 122.820 -0.146 0.000 1.915 423 A HA -0.308 4.012 4.320 -0.000 0.000 0.220 423 A C 2.212 179.765 177.584 -0.053 0.000 1.198 423 A CA 2.673 54.629 52.037 -0.136 0.000 0.647 423 A CB -0.725 18.144 19.000 -0.219 0.000 0.825 423 A HN 0.511 nan 8.150 nan 0.000 0.456 424 L N -0.317 120.882 121.223 -0.040 0.000 2.072 424 L HA -0.095 4.245 4.340 -0.000 0.000 0.205 424 L C 2.249 179.139 176.870 0.033 0.000 1.079 424 L CA 2.286 57.134 54.840 0.013 0.000 0.752 424 L CB -0.481 41.595 42.059 0.028 0.000 0.906 424 L HN 0.504 nan 8.230 nan 0.000 0.436 425 E N -0.200 120.021 120.200 0.035 0.000 2.204 425 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 425 E C 2.103 178.749 176.600 0.076 0.000 0.989 425 E CA 0.879 57.314 56.400 0.058 0.000 0.824 425 E CB -0.204 29.537 29.700 0.069 0.000 0.756 425 E HN 0.672 nan 8.360 nan 0.000 0.477 426 A N 1.153 124.026 122.820 0.089 0.000 1.855 426 A HA -0.165 4.155 4.320 -0.000 0.000 0.215 426 A C 2.481 180.109 177.584 0.073 0.000 1.191 426 A CA 1.092 53.196 52.037 0.111 0.000 0.613 426 A CB -0.866 18.211 19.000 0.129 0.000 0.829 426 A HN 0.331 nan 8.150 nan 0.000 0.442 427 C N -1.180 118.154 119.300 0.055 0.000 2.429 427 C HA -0.064 4.396 4.460 -0.000 0.000 0.277 427 C C 2.739 177.762 174.990 0.055 0.000 1.262 427 C CA 0.998 60.049 59.018 0.055 0.000 1.733 427 C CB -1.293 26.481 27.740 0.057 0.000 2.010 427 C HN 0.447 nan 8.230 nan 0.000 0.483 428 V N 1.192 121.139 119.914 0.055 0.000 2.287 428 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 428 V C 2.512 178.633 176.094 0.045 0.000 1.053 428 V CA 2.410 64.741 62.300 0.051 0.000 1.027 428 V CB -0.614 31.240 31.823 0.051 0.000 0.646 428 V HN 0.592 nan 8.190 nan 0.000 0.447 429 K N 0.241 120.667 120.400 0.044 0.000 2.057 429 K HA -0.114 4.206 4.320 -0.000 0.000 0.206 429 K C 2.129 178.748 176.600 0.031 0.000 1.050 429 K CA 1.497 57.804 56.287 0.033 0.000 0.935 429 K CB -0.439 32.078 32.500 0.028 0.000 0.715 429 K HN 0.399 nan 8.250 nan 0.000 0.439 430 A N 1.518 124.362 122.820 0.039 0.000 1.865 430 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 430 A C 2.214 179.818 177.584 0.034 0.000 1.191 430 A CA 1.798 53.858 52.037 0.038 0.000 0.623 430 A CB -0.741 18.287 19.000 0.047 0.000 0.826 430 A HN 0.423 nan 8.150 nan 0.000 0.444 431 R N -0.255 120.268 120.500 0.038 0.000 2.097 431 R HA -0.217 4.123 4.340 -0.000 0.000 0.236 431 R C 1.873 178.191 176.300 0.031 0.000 1.135 431 R CA 2.130 58.252 56.100 0.036 0.000 0.934 431 R CB -0.490 29.834 30.300 0.041 0.000 0.846 431 R HN 0.549 nan 8.270 nan 0.000 0.431 432 N N 1.037 119.755 118.700 0.030 0.000 2.149 432 N HA -0.165 4.574 4.740 -0.000 0.000 0.188 432 N C 1.309 176.831 175.510 0.020 0.000 1.019 432 N CA 1.601 54.666 53.050 0.025 0.000 0.857 432 N CB -0.297 38.205 38.487 0.025 0.000 0.997 432 N HN 0.433 nan 8.380 nan 0.000 0.426 433 E N -0.525 119.686 120.200 0.018 0.000 2.478 433 E HA 0.043 4.393 4.350 -0.000 0.000 0.198 433 E C 0.947 177.555 176.600 0.015 0.000 1.046 433 E CA 0.753 57.161 56.400 0.014 0.000 0.870 433 E CB -0.129 29.577 29.700 0.011 0.000 0.818 433 E HN 0.443 nan 8.360 nan 0.000 0.527 434 G N 1.809 110.621 108.800 0.018 0.000 2.159 434 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.227 434 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.227 434 G C 0.325 175.237 174.900 0.021 0.000 0.986 434 G CA -0.148 44.963 45.100 0.019 0.000 0.651 434 G HN 0.137 nan 8.290 nan 0.000 0.523 435 R N 0.147 120.662 120.500 0.024 0.000 2.822 435 R HA 0.380 4.720 4.340 -0.000 0.000 0.277 435 R C -0.525 175.792 176.300 0.029 0.000 1.102 435 R CA 0.170 56.287 56.100 0.028 0.000 1.207 435 R CB 0.299 30.619 30.300 0.032 0.000 1.139 435 R HN 0.216 nan 8.270 nan 0.000 0.557 436 D N 1.288 121.706 120.400 0.031 0.000 2.464 436 D HA 0.053 4.693 4.640 -0.000 0.000 0.243 436 D C 1.075 177.397 176.300 0.037 0.000 1.104 436 D CA -0.484 53.534 54.000 0.030 0.000 0.883 436 D CB 0.766 41.582 40.800 0.026 0.000 1.050 436 D HN 0.167 nan 8.370 nan 0.000 0.524 437 L N 3.042 124.288 121.223 0.039 0.000 2.064 437 L HA -0.210 4.130 4.340 -0.000 0.000 0.216 437 L C 2.305 179.203 176.870 0.048 0.000 1.077 437 L CA 2.061 56.930 54.840 0.048 0.000 0.766 437 L CB -1.715 40.374 42.059 0.050 0.000 0.890 437 L HN 0.532 nan 8.230 nan 0.000 0.435 438 A N -1.229 121.613 122.820 0.037 0.000 1.841 438 A HA -0.205 4.115 4.320 -0.000 0.000 0.214 438 A C 2.224 179.830 177.584 0.036 0.000 1.195 438 A CA 1.419 53.476 52.037 0.034 0.000 0.611 438 A CB -0.426 18.587 19.000 0.022 0.000 0.835 438 A HN 0.489 nan 8.150 nan 0.000 0.443 439 Q N -0.571 119.248 119.800 0.032 0.000 1.916 439 Q HA -0.135 4.205 4.340 -0.000 0.000 0.203 439 Q C 1.816 177.840 176.000 0.040 0.000 0.983 439 Q CA 1.473 57.295 55.803 0.031 0.000 0.846 439 Q CB -0.263 28.490 28.738 0.026 0.000 0.909 439 Q HN 0.692 nan 8.270 nan 0.000 0.427 440 E N 0.478 120.703 120.200 0.042 0.000 2.510 440 E HA -0.107 4.243 4.350 -0.000 0.000 0.202 440 E C 1.492 178.132 176.600 0.066 0.000 1.072 440 E CA 0.099 56.529 56.400 0.051 0.000 0.883 440 E CB -0.224 29.503 29.700 0.045 0.000 0.818 440 E HN 0.431 nan 8.360 nan 0.000 0.548 441 G N 2.525 111.367 108.800 0.070 0.000 2.935 441 G HA2 -0.446 3.514 3.960 -0.000 0.000 0.222 441 G HA3 -0.446 3.514 3.960 -0.000 0.000 0.222 441 G C 1.230 176.201 174.900 0.118 0.000 1.258 441 G CA 0.993 46.147 45.100 0.090 0.000 0.772 441 G HN 0.328 nan 8.290 nan 0.000 0.765 442 N N 0.277 119.065 118.700 0.146 0.000 2.251 442 N HA -0.209 4.531 4.740 -0.000 0.000 0.196 442 N C 2.140 177.778 175.510 0.214 0.000 0.993 442 N CA 1.826 55.003 53.050 0.212 0.000 0.896 442 N CB -0.078 38.493 38.487 0.140 0.000 0.994 442 N HN 0.416 nan 8.380 nan 0.000 0.452 443 E N 0.544 120.827 120.200 0.139 0.000 2.086 443 E HA 0.095 4.444 4.350 -0.000 0.000 0.190 443 E C 2.069 178.739 176.600 0.117 0.000 0.975 443 E CA 0.256 56.731 56.400 0.124 0.000 0.813 443 E CB -0.117 29.636 29.700 0.088 0.000 0.768 443 E HN 0.353 nan 8.360 nan 0.000 0.457 444 I N 0.894 121.523 120.570 0.099 0.000 2.113 444 I HA -0.331 3.838 4.170 -0.000 0.000 0.242 444 I C 2.445 178.597 176.117 0.058 0.000 1.064 444 I CA 1.650 62.999 61.300 0.082 0.000 1.320 444 I CB -0.689 37.354 38.000 0.072 0.000 1.028 444 I HN 0.230 nan 8.210 nan 0.000 0.406 445 I N 0.024 120.609 120.570 0.026 0.000 2.333 445 I HA -0.160 4.010 4.170 -0.000 0.000 0.246 445 I C 2.659 178.692 176.117 -0.139 0.000 1.106 445 I CA 1.210 62.435 61.300 -0.124 0.000 1.411 445 I CB -0.513 37.336 38.000 -0.251 0.000 1.082 445 I HN -0.019 nan 8.210 nan 0.000 0.420 446 R N 1.088 121.595 120.500 0.012 0.000 2.133 446 R HA -0.227 4.112 4.340 -0.000 0.000 0.247 446 R C 2.125 178.479 176.300 0.090 0.000 1.151 446 R CA 2.234 58.418 56.100 0.140 0.000 0.971 446 R CB -0.381 30.096 30.300 0.295 0.000 0.866 446 R HN 0.602 nan 8.270 nan 0.000 0.447 447 E N -0.617 119.640 120.200 0.095 0.000 2.107 447 E HA -0.136 4.214 4.350 -0.000 0.000 0.191 447 E C 1.947 178.658 176.600 0.186 0.000 0.982 447 E CA 1.012 57.489 56.400 0.129 0.000 0.809 447 E CB -0.063 29.718 29.700 0.136 0.000 0.756 447 E HN 0.519 nan 8.360 nan 0.000 0.459 448 A N 0.860 123.754 122.820 0.123 0.000 1.897 448 A HA -0.153 4.166 4.320 -0.000 0.000 0.215 448 A C 2.441 179.809 177.584 -0.361 0.000 1.181 448 A CA 1.019 53.062 52.037 0.010 0.000 0.620 448 A CB -0.781 18.230 19.000 0.018 0.000 0.821 448 A HN 0.374 nan 8.150 nan 0.000 0.443 449 c N 0.061 118.521 118.600 -0.232 0.000 2.401 449 c HA -0.148 4.421 4.570 -0.000 0.000 0.276 449 c C 2.630 176.620 174.090 -0.167 0.000 1.233 449 c CA 1.221 57.401 56.329 -0.247 0.000 1.753 449 c CB -1.173 41.236 42.510 -0.167 0.000 2.029 449 c HN 0.581 nan 8.230 nan 0.000 0.478 450 K N 0.520 120.896 120.400 -0.039 0.000 2.044 450 K HA -0.195 4.125 4.320 -0.000 0.000 0.210 450 K C 2.048 178.697 176.600 0.081 0.000 1.049 450 K CA 2.080 58.395 56.287 0.048 0.000 0.927 450 K CB -0.443 32.123 32.500 0.110 0.000 0.713 450 K HN 0.899 nan 8.250 nan 0.000 0.443 451 W N 0.632 121.930 121.300 -0.002 0.000 2.770 451 W HA 0.174 4.834 4.660 -0.000 0.000 0.256 451 W C 0.181 176.702 176.519 0.003 0.000 1.291 451 W CA -0.079 57.268 57.345 0.003 0.000 1.396 451 W CB -0.119 29.341 29.460 -0.000 0.000 1.114 451 W HN -0.166 nan 8.180 nan 0.000 0.637 452 S N 2.869 118.127 115.700 -0.737 0.000 2.498 452 S HA 0.333 4.803 4.470 -0.000 0.000 0.324 452 S C -1.242 173.174 174.600 -0.306 0.000 1.071 452 S CA -1.537 56.272 58.200 -0.652 0.000 1.113 452 S CB 1.418 63.976 63.200 -1.070 0.000 0.976 452 S HN -0.282 nan 8.310 nan 0.000 0.462 453 P HA -0.133 nan 4.420 nan 0.000 0.215 453 P C 0.832 178.052 177.300 -0.133 0.000 1.157 453 P CA 1.350 64.478 63.100 0.047 0.000 0.874 453 P CB 0.192 32.053 31.700 0.268 0.000 0.790 454 E N -0.680 119.420 120.200 -0.167 0.000 2.072 454 E HA -0.119 4.230 4.350 -0.000 0.000 0.191 454 E C 1.923 178.341 176.600 -0.303 0.000 0.985 454 E CA 0.558 56.744 56.400 -0.356 0.000 0.801 454 E CB -1.429 28.123 29.700 -0.247 0.000 0.750 454 E HN 0.101 nan 8.360 nan 0.000 0.452 455 L N 0.865 121.894 121.223 -0.324 0.000 2.017 455 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 455 L C 2.018 178.710 176.870 -0.297 0.000 1.073 455 L CA 2.120 56.761 54.840 -0.331 0.000 0.745 455 L CB -1.166 40.630 42.059 -0.439 0.000 0.894 455 L HN 0.107 nan 8.230 nan 0.000 0.432 456 A N -0.029 122.621 122.820 -0.284 0.000 1.849 456 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 456 A C 2.515 179.950 177.584 -0.249 0.000 1.202 456 A CA 2.812 54.721 52.037 -0.213 0.000 0.629 456 A CB -1.577 17.337 19.000 -0.144 0.000 0.834 456 A HN 0.650 nan 8.150 nan 0.000 0.447 457 A N -0.541 122.057 122.820 -0.370 0.000 1.954 457 A HA -0.089 4.231 4.320 -0.000 0.000 0.222 457 A C 2.500 179.730 177.584 -0.589 0.000 1.199 457 A CA 3.140 54.832 52.037 -0.574 0.000 0.657 457 A CB -1.192 17.130 19.000 -1.130 0.000 0.823 457 A HN 1.338 nan 8.150 nan 0.000 0.463 458 A N -1.138 121.431 122.820 -0.419 0.000 1.854 458 A HA -0.104 4.215 4.320 -0.000 0.000 0.214 458 A C 2.346 179.868 177.584 -0.104 0.000 1.192 458 A CA 1.551 53.458 52.037 -0.217 0.000 0.611 458 A CB -1.403 17.640 19.000 0.072 0.000 0.832 458 A HN 0.697 nan 8.150 nan 0.000 0.442 459 c N -0.337 118.204 118.600 -0.098 0.000 2.376 459 c HA -0.158 4.412 4.570 -0.000 0.000 0.275 459 c C 2.692 176.990 174.090 0.346 0.000 1.200 459 c CA 1.312 57.708 56.329 0.111 0.000 1.756 459 c CB -1.325 41.219 42.510 0.057 0.000 2.050 459 c HN 0.598 nan 8.230 nan 0.000 0.460 460 E N 0.549 120.777 120.200 0.047 0.000 2.058 460 E HA -0.154 4.195 4.350 -0.000 0.000 0.194 460 E C 2.305 178.824 176.600 -0.135 0.000 0.997 460 E CA 1.198 57.579 56.400 -0.032 0.000 0.801 460 E CB -0.645 28.999 29.700 -0.093 0.000 0.746 460 E HN 0.564 nan 8.360 nan 0.000 0.450 461 V N -0.177 119.541 119.914 -0.327 0.000 2.295 461 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 461 V C 1.731 177.501 176.094 -0.541 0.000 1.049 461 V CA 1.440 63.380 62.300 -0.600 0.000 1.024 461 V CB -0.362 30.739 31.823 -1.205 0.000 0.648 461 V HN 0.349 nan 8.190 nan 0.000 0.447 462 W N -0.057 121.208 121.300 -0.058 0.000 3.239 462 W HA 0.306 4.966 4.660 -0.000 0.000 0.368 462 W C 1.868 178.283 176.519 -0.175 0.000 1.154 462 W CA -0.711 56.511 57.345 -0.205 0.000 1.860 462 W CB -0.372 28.801 29.460 -0.479 0.000 1.094 462 W HN 0.308 nan 8.180 nan 0.000 0.643 463 K N 1.355 121.779 120.400 0.040 0.000 2.001 463 K HA -0.246 4.073 4.320 -0.000 0.000 0.223 463 K C 1.392 177.760 176.600 -0.385 0.000 1.055 463 K CA 2.094 58.146 56.287 -0.393 0.000 0.965 463 K CB 0.112 32.450 32.500 -0.270 0.000 0.730 463 K HN -0.205 nan 8.250 nan 0.000 0.449 464 E N 0.648 120.712 120.200 -0.226 0.000 2.516 464 E HA -0.037 4.312 4.350 -0.000 0.000 0.199 464 E C 0.072 176.593 176.600 -0.131 0.000 1.069 464 E CA 0.366 56.657 56.400 -0.182 0.000 0.876 464 E CB -0.167 29.451 29.700 -0.137 0.000 0.843 464 E HN 0.311 nan 8.360 nan 0.000 0.530 465 I N 1.314 121.835 120.570 -0.083 0.000 2.395 465 I HA 0.233 4.403 4.170 -0.000 0.000 0.289 465 I C 0.648 176.759 176.117 -0.008 0.000 1.023 465 I CA -0.754 60.511 61.300 -0.059 0.000 1.350 465 I CB 0.616 38.647 38.000 0.051 0.000 1.409 465 I HN -0.266 nan 8.210 nan 0.000 0.507 466 V N 4.242 124.040 119.914 -0.194 0.000 3.206 466 V HA 0.609 4.729 4.120 -0.000 0.000 0.305 466 V C -1.664 174.252 176.094 -0.297 0.000 1.257 466 V CA -0.749 61.521 62.300 -0.049 0.000 1.057 466 V CB 2.632 34.464 31.823 0.015 0.000 1.075 466 V HN 0.438 nan 8.190 nan 0.000 0.443 467 F N 1.976 122.057 119.950 0.218 0.000 2.597 467 F HA 0.516 5.043 4.527 -0.000 0.000 0.336 467 F C 0.190 176.154 175.800 0.273 0.000 1.432 467 F CA -0.578 57.597 58.000 0.292 0.000 1.120 467 F CB 0.280 39.478 39.000 0.330 0.000 1.253 467 F HN 0.665 nan 8.300 nan 0.000 0.546 468 N N 1.722 120.506 118.700 0.140 0.000 2.472 468 N HA 0.577 5.317 4.740 -0.000 0.000 0.277 468 N C -1.411 174.045 175.510 -0.090 0.000 1.081 468 N CA 0.039 53.146 53.050 0.095 0.000 0.973 468 N CB 0.489 38.989 38.487 0.021 0.000 1.105 468 N HN 0.090 nan 8.380 nan 0.000 0.470 469 F N 0.769 120.776 119.950 0.094 0.000 2.639 469 F HA 0.388 4.915 4.527 -0.000 0.000 0.320 469 F C -0.148 175.690 175.800 0.064 0.000 1.128 469 F CA -1.397 56.648 58.000 0.076 0.000 1.037 469 F CB 0.839 39.890 39.000 0.084 0.000 1.288 469 F HN 0.485 nan 8.300 nan 0.000 0.463 470 A N 2.424 125.387 122.820 0.239 0.000 2.513 470 A HA 0.530 4.850 4.320 -0.000 0.000 0.274 470 A C 0.678 178.341 177.584 0.132 0.000 1.115 470 A CA 0.324 52.451 52.037 0.149 0.000 0.792 470 A CB -0.809 18.259 19.000 0.112 0.000 1.053 470 A HN 1.156 nan 8.150 nan 0.000 0.515 471 A N 2.934 125.822 122.820 0.112 0.000 2.536 471 A HA 0.391 4.711 4.320 -0.000 0.000 0.234 471 A C 1.137 178.763 177.584 0.071 0.000 1.076 471 A CA 0.416 52.506 52.037 0.088 0.000 0.769 471 A CB 0.122 19.173 19.000 0.085 0.000 1.020 471 A HN 1.044 nan 8.150 nan 0.000 0.508 472 V N 1.070 121.021 119.914 0.061 0.000 3.654 472 V HA 0.571 4.691 4.120 -0.000 0.000 0.204 472 V C 0.999 177.138 176.094 0.075 0.000 1.135 472 V CA 1.446 63.781 62.300 0.057 0.000 1.368 472 V CB -0.594 31.253 31.823 0.040 0.000 1.519 472 V HN 1.322 nan 8.190 nan 0.000 0.496 473 D N 0.000 120.452 120.400 0.086 0.000 6.856 473 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 473 D CA 0.000 nan 54.000 nan 0.000 0.868 473 D CB 0.000 nan 40.800 nan 0.000 0.688 473 D HN 0.000 nan 8.370 nan 0.000 0.683