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 1upm_1_V DATA FIRST_RESID 9 DATA SEQUENCE ASVEFKAGVK DYKLTYYTPE YETLDTDILA AFRVSPQPGV PPEEAGAAVA DATA SEQUENCE AESSTGTWTT VWTDGLTNLD RYKGRCYHIE PVAGEENQYI CYVAYPLDLF DATA SEQUENCE EEGSVTNMFT SIVGNVFGFK ALRALRLEDL RIPVAYVKTF QGPPHGIQVE DATA SEQUENCE RDKLNKYGRP LLGCTIKPKL GLSAKNYGRA VYECLRGGLD FTXDDENVNS DATA SEQUENCE QPFMRWRDRF LFCAEALYKA QAETGEIKGH YLNATAGTCE DMMKRAVFAR DATA SEQUENCE ELGVPIVMHD YLTGGFTANT TLSHYCRDNG LLLHIHRAMH AVIDRQKNHG DATA SEQUENCE MHFRVLAKAL RLSGGDHIHS GTVVGKLEGE RDITLGFVDL LRDDYTEKDR DATA SEQUENCE SRGIYFTQSW VSTPGVLPVA SGGIHVWHMP ALTEIFGDDS VLQFGGGTLG DATA SEQUENCE HPWGNAPGAV ANRVALEACV QARNEGRDLA REGNTIIREA TKWSPELAAA DATA SEQUENCE CEVWKEIKFE FPAMDTV 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 0.000 177.597 177.584 0.021 0.000 1.274 9 A CA 0.000 52.045 52.037 0.014 0.000 0.836 9 A CB 0.000 19.007 19.000 0.011 0.000 0.831 10 S N -0.455 115.261 115.700 0.028 0.000 3.459 10 S HA 0.037 4.507 4.470 -0.000 0.000 0.622 10 S C -0.102 174.522 174.600 0.040 0.000 0.790 10 S CA 0.194 58.418 58.200 0.041 0.000 1.329 10 S CB -1.729 61.498 63.200 0.045 0.000 1.315 10 S HN 2.291 nan 8.310 nan 0.000 0.683 11 V N 2.290 122.234 119.914 0.049 0.000 2.713 11 V HA 0.830 4.950 4.120 -0.000 0.000 0.307 11 V C 0.849 176.988 176.094 0.074 0.000 1.052 11 V CA 0.455 62.783 62.300 0.048 0.000 0.967 11 V CB 1.311 33.157 31.823 0.038 0.000 1.019 11 V HN 1.768 nan 8.190 nan 0.000 0.459 12 E N 4.154 124.393 120.200 0.064 0.000 2.508 12 E HA 0.077 4.427 4.350 -0.000 0.000 0.266 12 E C -0.367 176.323 176.600 0.149 0.000 1.010 12 E CA 0.062 56.515 56.400 0.088 0.000 0.955 12 E CB 0.034 nan 29.700 nan 0.000 0.946 12 E HN 0.936 nan 8.360 nan 0.000 0.454 13 F N 1.905 121.878 119.950 0.038 0.000 2.504 13 F HA 0.439 4.966 4.527 0.000 0.000 0.369 13 F C 0.257 176.076 175.800 0.030 0.000 1.082 13 F CA -0.517 57.516 58.000 0.056 0.000 1.216 13 F CB 1.199 40.259 39.000 0.099 0.000 1.108 13 F HN 0.319 nan 8.300 nan 0.000 0.554 14 K N 6.033 126.183 120.400 -0.417 0.000 2.507 14 K HA 0.621 4.941 4.320 -0.000 0.000 0.253 14 K C -1.023 175.143 176.600 -0.723 0.000 0.969 14 K CA -0.497 55.467 56.287 -0.538 0.000 0.908 14 K CB 0.846 33.220 32.500 -0.209 0.000 1.127 14 K HN 0.705 nan 8.250 nan 0.000 0.437 15 A N 2.726 124.967 122.820 -0.965 0.000 2.477 15 A HA 0.616 4.936 4.320 -0.000 0.000 0.246 15 A C 0.530 177.973 177.584 -0.235 0.000 1.078 15 A CA 0.945 52.656 52.037 -0.542 0.000 0.770 15 A CB -0.372 18.422 19.000 -0.344 0.000 1.011 15 A HN 1.059 nan 8.150 nan 0.000 0.494 16 G N -0.660 108.056 108.800 -0.140 0.000 2.369 16 G HA2 0.473 4.433 3.960 -0.000 0.000 0.307 16 G HA3 0.473 4.433 3.960 -0.000 0.000 0.307 16 G C -0.650 174.185 174.900 -0.107 0.000 1.327 16 G CA -0.123 44.917 45.100 -0.102 0.000 0.963 16 G HN 2.177 nan 8.290 nan 0.000 0.590 17 V N -0.222 119.651 119.914 -0.069 0.000 2.617 17 V HA 0.974 5.094 4.120 -0.000 0.000 0.298 17 V C 0.011 176.065 176.094 -0.066 0.000 1.048 17 V CA 0.412 62.668 62.300 -0.073 0.000 0.964 17 V CB 1.313 33.145 31.823 0.016 0.000 1.004 17 V HN 1.421 nan 8.190 nan 0.000 0.466 18 K N 2.504 122.845 120.400 -0.098 0.000 2.522 18 K HA 0.545 4.865 4.320 -0.000 0.000 0.275 18 K C -1.438 175.084 176.600 -0.131 0.000 1.006 18 K CA -0.937 55.301 56.287 -0.082 0.000 0.890 18 K CB 1.634 34.102 32.500 -0.053 0.000 1.475 18 K HN 0.512 nan 8.250 nan 0.000 0.441 19 D N 0.870 121.221 120.400 -0.082 0.000 2.399 19 D HA 0.045 4.685 4.640 -0.000 0.000 0.241 19 D C 0.661 176.940 176.300 -0.036 0.000 1.133 19 D CA 0.142 54.095 54.000 -0.078 0.000 0.890 19 D CB 0.239 41.035 40.800 -0.007 0.000 1.201 19 D HN 0.436 nan 8.370 nan 0.000 0.432 20 Y N 1.028 121.363 120.300 0.058 0.000 2.274 20 Y HA -0.192 4.358 4.550 -0.000 0.000 0.290 20 Y C 2.302 178.321 175.900 0.199 0.000 1.145 20 Y CA 1.174 59.352 58.100 0.129 0.000 1.203 20 Y CB -0.282 38.189 38.460 0.018 0.000 0.984 20 Y HN 0.460 nan 8.280 nan 0.000 0.533 21 K N 0.399 120.953 120.400 0.257 0.000 2.283 21 K HA -0.120 4.200 4.320 -0.000 0.000 0.202 21 K C 1.655 178.372 176.600 0.196 0.000 1.048 21 K CA 1.448 57.869 56.287 0.224 0.000 0.948 21 K CB -0.718 31.855 32.500 0.123 0.000 0.742 21 K HN 0.325 nan 8.250 nan 0.000 0.458 22 L N 1.294 122.599 121.223 0.136 0.000 2.127 22 L HA -0.149 4.191 4.340 -0.000 0.000 0.211 22 L C 1.764 178.663 176.870 0.048 0.000 1.089 22 L CA 1.611 56.500 54.840 0.082 0.000 0.757 22 L CB -0.519 41.570 42.059 0.050 0.000 0.899 22 L HN 0.353 nan 8.230 nan 0.000 0.434 23 T N -3.298 111.288 114.554 0.053 0.000 2.978 23 T HA 0.056 4.406 4.350 -0.000 0.000 0.248 23 T C 0.913 175.420 174.700 -0.323 0.000 1.018 23 T CA 0.271 62.260 62.100 -0.186 0.000 1.026 23 T CB 0.183 68.849 68.868 -0.337 0.000 1.032 23 T HN 0.155 nan 8.240 nan 0.000 0.485 24 Y N -0.371 119.991 120.300 0.103 0.000 2.500 24 Y HA 0.428 4.978 4.550 -0.000 0.000 0.246 24 Y C -0.081 175.895 175.900 0.127 0.000 1.146 24 Y CA -1.250 56.900 58.100 0.083 0.000 1.230 24 Y CB 0.547 39.059 38.460 0.086 0.000 1.214 24 Y HN 0.153 nan 8.280 nan 0.000 0.526 25 Y N 0.705 121.069 120.300 0.107 0.000 2.335 25 Y HA 0.535 5.085 4.550 -0.000 0.000 0.339 25 Y C -0.156 175.775 175.900 0.052 0.000 0.987 25 Y CA -0.935 57.205 58.100 0.066 0.000 1.140 25 Y CB 1.436 39.923 38.460 0.044 0.000 1.173 25 Y HN -0.159 nan 8.280 nan 0.000 0.486 26 T N 9.471 123.798 114.554 -0.378 0.000 3.631 26 T HA 0.189 4.539 4.350 -0.000 0.000 0.256 26 T C -2.166 172.416 174.700 -0.196 0.000 1.187 26 T CA -0.808 61.154 62.100 -0.230 0.000 1.667 26 T CB 0.446 69.260 68.868 -0.090 0.000 0.804 26 T HN 0.510 nan 8.240 nan 0.000 0.639 27 P HA 0.016 nan 4.420 nan 0.000 0.226 27 P C 0.906 178.209 177.300 0.006 0.000 1.153 27 P CA 0.801 63.778 63.100 -0.206 0.000 0.777 27 P CB 0.444 31.952 31.700 -0.321 0.000 0.794 28 E N -1.422 118.775 120.200 -0.004 0.000 2.479 28 E HA -0.021 4.329 4.350 -0.000 0.000 0.193 28 E C 0.300 176.939 176.600 0.065 0.000 1.049 28 E CA -0.433 55.984 56.400 0.029 0.000 0.870 28 E CB -0.511 29.191 29.700 0.002 0.000 0.944 28 E HN 0.367 nan 8.360 nan 0.000 0.492 29 Y N 2.529 122.817 120.300 -0.020 0.000 2.526 29 Y HA 0.011 4.561 4.550 -0.000 0.000 0.330 29 Y C 0.139 175.988 175.900 -0.085 0.000 1.156 29 Y CA -0.044 58.030 58.100 -0.044 0.000 1.419 29 Y CB 0.443 38.885 38.460 -0.030 0.000 1.250 29 Y HN -0.184 nan 8.280 nan 0.000 0.540 30 E N 3.633 123.436 120.200 -0.661 0.000 2.227 30 E HA 0.183 4.533 4.350 -0.000 0.000 0.282 30 E C -0.308 175.646 176.600 -1.076 0.000 1.015 30 E CA -0.649 55.366 56.400 -0.641 0.000 0.823 30 E CB 0.792 30.262 29.700 -0.384 0.000 1.081 30 E HN 0.720 nan 8.360 nan 0.000 0.396 31 T N 0.918 115.050 114.554 -0.704 0.000 2.930 31 T HA 0.229 4.579 4.350 -0.000 0.000 0.306 31 T C 0.370 174.870 174.700 -0.334 0.000 1.045 31 T CA -0.565 61.228 62.100 -0.511 0.000 1.134 31 T CB 0.330 68.981 68.868 -0.360 0.000 0.961 31 T HN 0.244 nan 8.240 nan 0.000 0.545 32 L N 2.264 123.381 121.223 -0.177 0.000 2.418 32 L HA 0.310 4.650 4.340 -0.000 0.000 0.265 32 L C 1.074 177.911 176.870 -0.055 0.000 1.143 32 L CA -0.868 53.918 54.840 -0.090 0.000 0.809 32 L CB 0.457 42.508 42.059 -0.013 0.000 1.124 32 L HN 0.665 nan 8.230 nan 0.000 0.456 33 D N -0.392 119.982 120.400 -0.044 0.000 2.363 33 D HA -0.075 4.565 4.640 -0.000 0.000 0.220 33 D C 1.719 178.012 176.300 -0.012 0.000 0.994 33 D CA 0.909 54.891 54.000 -0.031 0.000 0.890 33 D CB 0.167 40.953 40.800 -0.025 0.000 0.906 33 D HN 0.709 nan 8.370 nan 0.000 0.530 34 T N -2.669 111.890 114.554 0.007 0.000 3.086 34 T HA 0.042 4.392 4.350 -0.000 0.000 0.250 34 T C 0.528 175.255 174.700 0.045 0.000 1.074 34 T CA -0.479 61.641 62.100 0.032 0.000 0.988 34 T CB 0.360 69.257 68.868 0.048 0.000 0.988 34 T HN -0.233 nan 8.240 nan 0.000 0.530 35 D N 1.747 122.172 120.400 0.042 0.000 2.382 35 D HA 0.335 4.975 4.640 -0.000 0.000 0.245 35 D C -0.109 176.204 176.300 0.023 0.000 1.120 35 D CA -0.494 53.554 54.000 0.079 0.000 0.890 35 D CB 0.697 41.556 40.800 0.100 0.000 1.201 35 D HN 0.161 nan 8.370 nan 0.000 0.433 36 I N 1.981 122.595 120.570 0.073 0.000 2.441 36 I HA 0.125 4.295 4.170 -0.000 0.000 0.287 36 I C 0.151 176.330 176.117 0.103 0.000 1.049 36 I CA -0.122 61.154 61.300 -0.040 0.000 1.381 36 I CB 0.431 38.267 38.000 -0.273 0.000 1.409 36 I HN 0.064 nan 8.210 nan 0.000 0.523 37 L N 6.038 127.201 121.223 -0.100 0.000 2.307 37 L HA 0.809 5.149 4.340 -0.000 0.000 0.284 37 L C -0.008 176.787 176.870 -0.125 0.000 1.023 37 L CA -0.784 54.004 54.840 -0.087 0.000 0.810 37 L CB 1.461 43.284 42.059 -0.392 0.000 1.231 37 L HN 0.675 nan 8.230 nan 0.000 0.423 38 A N 2.483 125.430 122.820 0.212 0.000 2.318 38 A HA 0.805 5.125 4.320 -0.000 0.000 0.317 38 A C -0.189 177.517 177.584 0.204 0.000 1.159 38 A CA -0.526 51.583 52.037 0.120 0.000 0.799 38 A CB 1.404 20.412 19.000 0.013 0.000 1.194 38 A HN 0.761 nan 8.150 nan 0.000 0.479 39 A N 2.505 125.401 122.820 0.127 0.000 2.316 39 A HA 0.651 4.971 4.320 -0.000 0.000 0.311 39 A C -0.934 176.392 177.584 -0.430 0.000 1.339 39 A CA -0.177 51.678 52.037 -0.303 0.000 0.960 39 A CB -0.557 18.128 19.000 -0.524 0.000 1.152 39 A HN 0.603 nan 8.150 nan 0.000 0.547 40 F N 1.523 121.329 119.950 -0.240 0.000 2.415 40 F HA 0.399 4.926 4.527 -0.000 0.000 0.348 40 F C 1.048 176.731 175.800 -0.195 0.000 1.119 40 F CA -0.380 57.505 58.000 -0.191 0.000 1.069 40 F CB 1.501 40.407 39.000 -0.156 0.000 1.124 40 F HN 0.596 nan 8.300 nan 0.000 0.472 41 R N 3.660 124.171 120.500 0.020 0.000 2.309 41 R HA 0.357 4.697 4.340 -0.000 0.000 0.331 41 R C -1.065 175.245 176.300 0.018 0.000 1.116 41 R CA -0.196 55.914 56.100 0.018 0.000 0.970 41 R CB 0.297 30.605 30.300 0.013 0.000 1.024 41 R HN 0.568 nan 8.270 nan 0.000 0.472 42 V N 3.634 123.563 119.914 0.025 0.000 2.394 42 V HA 0.396 4.516 4.120 -0.000 0.000 0.282 42 V C -0.705 175.416 176.094 0.044 0.000 1.031 42 V CA -0.241 62.057 62.300 -0.003 0.000 0.881 42 V CB 1.907 33.693 31.823 -0.061 0.000 0.982 42 V HN 0.719 nan 8.190 nan 0.000 0.451 43 S N 8.980 124.692 115.700 0.020 0.000 2.528 43 S HA 0.523 4.993 4.470 -0.000 0.000 0.303 43 S C -2.673 171.944 174.600 0.030 0.000 1.123 43 S CA -0.920 57.299 58.200 0.032 0.000 1.138 43 S CB 1.199 64.415 63.200 0.027 0.000 0.984 43 S HN 0.811 nan 8.310 nan 0.000 0.474 44 P HA 0.177 nan 4.420 nan 0.000 0.274 44 P C -0.205 177.102 177.300 0.012 0.000 1.237 44 P CA -0.608 62.499 63.100 0.012 0.000 0.793 44 P CB 0.485 32.196 31.700 0.018 0.000 0.977 45 Q N 1.292 121.089 119.800 -0.005 0.000 2.454 45 Q HA 0.184 4.524 4.340 -0.000 0.000 0.247 45 Q C -2.014 173.987 176.000 0.000 0.000 1.028 45 Q CA -1.437 54.365 55.803 -0.001 0.000 0.910 45 Q CB -0.850 27.883 28.738 -0.007 0.000 1.276 45 Q HN 0.320 nan 8.270 nan 0.000 0.489 46 P HA -0.025 nan 4.420 nan 0.000 0.262 46 P C 0.499 177.797 177.300 -0.003 0.000 1.182 46 P CA 1.114 64.216 63.100 0.004 0.000 0.761 46 P CB 0.244 31.945 31.700 0.003 0.000 0.795 47 G N 1.341 110.139 108.800 -0.003 0.000 2.176 47 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.253 47 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.253 47 G C -0.059 174.827 174.900 -0.023 0.000 0.979 47 G CA -0.133 44.960 45.100 -0.011 0.000 0.641 47 G HN 0.527 nan 8.290 nan 0.000 0.530 48 V N 3.184 123.080 119.914 -0.029 0.000 2.333 48 V HA 0.469 4.589 4.120 -0.000 0.000 0.274 48 V C -1.393 174.659 176.094 -0.069 0.000 1.028 48 V CA -1.584 60.684 62.300 -0.054 0.000 0.851 48 V CB 1.351 33.133 31.823 -0.069 0.000 1.000 48 V HN 0.214 nan 8.190 nan 0.000 0.456 49 P HA 0.168 nan 4.420 nan 0.000 0.269 49 P C -2.045 175.113 177.300 -0.237 0.000 1.209 49 P CA -1.467 61.547 63.100 -0.142 0.000 0.776 49 P CB 0.298 31.916 31.700 -0.137 0.000 0.876 50 P HA -0.165 nan 4.420 nan 0.000 0.218 50 P C 1.011 178.004 177.300 -0.511 0.000 1.148 50 P CA 1.499 64.243 63.100 -0.594 0.000 0.822 50 P CB 0.146 31.070 31.700 -1.294 0.000 0.784 51 E N 0.213 120.095 120.200 -0.530 0.000 2.077 51 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 51 E C 2.102 178.458 176.600 -0.407 0.000 0.989 51 E CA 1.230 57.210 56.400 -0.699 0.000 0.800 51 E CB -0.770 28.450 29.700 -0.800 0.000 0.746 51 E HN 0.282 nan 8.360 nan 0.000 0.452 52 E N 0.288 120.334 120.200 -0.258 0.000 2.152 52 E HA -0.005 4.345 4.350 -0.000 0.000 0.192 52 E C 1.814 178.312 176.600 -0.170 0.000 0.983 52 E CA 1.072 57.393 56.400 -0.132 0.000 0.818 52 E CB -0.231 29.421 29.700 -0.080 0.000 0.758 52 E HN 0.220 nan 8.360 nan 0.000 0.467 53 A N 0.188 122.874 122.820 -0.222 0.000 1.877 53 A HA -0.031 4.289 4.320 -0.000 0.000 0.216 53 A C 2.448 179.873 177.584 -0.264 0.000 1.186 53 A CA 1.730 53.620 52.037 -0.245 0.000 0.620 53 A CB -1.320 17.558 19.000 -0.202 0.000 0.822 53 A HN 0.403 nan 8.150 nan 0.000 0.443 54 G N -0.609 108.044 108.800 -0.245 0.000 2.402 54 G HA2 0.034 3.994 3.960 -0.000 0.000 0.216 54 G HA3 0.034 3.994 3.960 -0.000 0.000 0.216 54 G C 1.745 176.556 174.900 -0.148 0.000 1.162 54 G CA 1.432 46.416 45.100 -0.195 0.000 0.777 54 G HN 0.787 nan 8.290 nan 0.000 0.539 55 A N 1.275 124.030 122.820 -0.108 0.000 1.902 55 A HA 0.224 4.544 4.320 -0.000 0.000 0.217 55 A C 2.834 180.278 177.584 -0.233 0.000 1.181 55 A CA 2.358 54.392 52.037 -0.004 0.000 0.623 55 A CB -0.867 18.208 19.000 0.125 0.000 0.818 55 A HN 0.788 nan 8.150 nan 0.000 0.443 56 A N -0.510 122.052 122.820 -0.429 0.000 1.883 56 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 56 A C 2.252 179.526 177.584 -0.516 0.000 1.186 56 A CA 1.938 53.435 52.037 -0.901 0.000 0.624 56 A CB -1.104 17.347 19.000 -0.914 0.000 0.822 56 A HN 0.432 nan 8.150 nan 0.000 0.444 57 V N -0.065 119.640 119.914 -0.348 0.000 2.287 57 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 57 V C 3.078 179.036 176.094 -0.225 0.000 1.053 57 V CA 2.159 64.278 62.300 -0.302 0.000 1.027 57 V CB -1.376 30.119 31.823 -0.546 0.000 0.646 57 V HN 0.641 nan 8.190 nan 0.000 0.447 58 A N -0.085 122.620 122.820 -0.192 0.000 1.883 58 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 58 A C 2.434 179.921 177.584 -0.161 0.000 1.186 58 A CA 2.298 54.279 52.037 -0.094 0.000 0.624 58 A CB -0.878 18.116 19.000 -0.010 0.000 0.822 58 A HN 0.596 nan 8.150 nan 0.000 0.444 59 A N -0.372 122.150 122.820 -0.497 0.000 1.877 59 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 59 A C 1.962 179.316 177.584 -0.383 0.000 1.186 59 A CA 2.122 53.580 52.037 -0.966 0.000 0.620 59 A CB -0.404 17.786 19.000 -1.350 0.000 0.822 59 A HN 0.552 nan 8.150 nan 0.000 0.443 60 E N 0.362 120.416 120.200 -0.243 0.000 2.478 60 E HA -0.009 4.341 4.350 -0.000 0.000 0.194 60 E C 1.320 177.899 176.600 -0.035 0.000 1.045 60 E CA 0.944 57.288 56.400 -0.092 0.000 0.868 60 E CB -0.198 29.477 29.700 -0.042 0.000 0.885 60 E HN 0.563 nan 8.360 nan 0.000 0.505 61 S N -1.286 114.433 115.700 0.033 0.000 2.583 61 S HA 0.228 4.698 4.470 -0.000 0.000 0.239 61 S C 0.939 175.666 174.600 0.212 0.000 0.966 61 S CA 0.198 58.488 58.200 0.150 0.000 0.973 61 S CB 0.075 63.452 63.200 0.295 0.000 0.794 61 S HN 0.236 nan 8.310 nan 0.000 0.463 62 S N 0.855 116.632 115.700 0.129 0.000 5.689 62 S HA 0.112 4.582 4.470 -0.000 0.000 0.127 62 S C 1.199 175.847 174.600 0.080 0.000 1.086 62 S CA 0.518 58.806 58.200 0.147 0.000 1.406 62 S CB -0.322 63.040 63.200 0.271 0.000 2.070 62 S HN 0.577 nan 8.310 nan 0.000 0.631 63 T N -0.667 113.955 114.554 0.113 0.000 2.986 63 T HA 0.508 4.858 4.350 -0.000 0.000 0.264 63 T C 0.797 175.561 174.700 0.107 0.000 0.964 63 T CA 0.467 62.634 62.100 0.111 0.000 0.895 63 T CB 0.282 69.266 68.868 0.193 0.000 1.163 63 T HN 0.829 nan 8.240 nan 0.000 0.517 64 G N 0.331 109.162 108.800 0.051 0.000 2.434 64 G HA2 0.559 4.519 3.960 -0.000 0.000 0.330 64 G HA3 0.559 4.519 3.960 -0.000 0.000 0.330 64 G C -0.717 174.242 174.900 0.099 0.000 1.155 64 G CA -0.245 44.906 45.100 0.085 0.000 0.917 64 G HN 0.245 nan 8.290 nan 0.000 0.493 65 T N -0.773 113.863 114.554 0.136 0.000 2.644 65 T HA 0.429 4.779 4.350 -0.000 0.000 0.253 65 T C 0.755 175.602 174.700 0.245 0.000 0.910 65 T CA -0.421 61.800 62.100 0.203 0.000 1.066 65 T CB 0.684 69.630 68.868 0.131 0.000 1.484 65 T HN 0.673 nan 8.240 nan 0.000 0.560 66 W N 0.561 121.957 121.300 0.161 0.000 2.863 66 W HA 0.328 4.988 4.660 -0.000 0.000 0.258 66 W C 0.370 176.878 176.519 -0.018 0.000 1.298 66 W CA 0.273 57.678 57.345 0.100 0.000 1.451 66 W CB -0.980 28.561 29.460 0.135 0.000 1.107 66 W HN 0.521 nan 8.180 nan 0.000 0.641 67 T N 0.808 114.891 114.554 -0.784 0.000 2.838 67 T HA 0.389 4.739 4.350 -0.000 0.000 0.292 67 T C -0.528 173.950 174.700 -0.370 0.000 1.113 67 T CA -0.249 61.429 62.100 -0.704 0.000 1.008 67 T CB 1.938 70.022 68.868 -1.306 0.000 1.259 67 T HN -0.233 nan 8.240 nan 0.000 0.520 68 T N 2.176 116.621 114.554 -0.181 0.000 2.817 68 T HA 0.521 4.871 4.350 -0.000 0.000 0.293 68 T C -0.073 174.705 174.700 0.131 0.000 0.964 68 T CA -0.444 61.664 62.100 0.013 0.000 1.085 68 T CB 0.452 69.371 68.868 0.085 0.000 0.921 68 T HN 0.661 nan 8.240 nan 0.000 0.502 69 V N 3.388 123.336 119.914 0.056 0.000 2.459 69 V HA 0.450 4.570 4.120 -0.000 0.000 0.295 69 V C 1.251 177.185 176.094 -0.266 0.000 1.029 69 V CA -1.137 61.105 62.300 -0.096 0.000 0.874 69 V CB 1.175 32.867 31.823 -0.218 0.000 0.985 69 V HN 1.059 nan 8.190 nan 0.000 0.438 70 W N 3.283 124.101 121.300 -0.805 0.000 2.392 70 W HA -0.147 4.513 4.660 -0.000 0.000 0.279 70 W C 1.417 177.692 176.519 -0.407 0.000 1.225 70 W CA 1.740 58.459 57.345 -1.044 0.000 1.233 70 W CB -1.659 26.913 29.460 -1.480 0.000 1.122 70 W HN 0.762 nan 8.180 nan 0.000 0.561 71 T N -1.458 112.434 114.554 -1.105 0.000 3.098 71 T HA -0.168 4.182 4.350 -0.000 0.000 0.266 71 T C 1.112 175.578 174.700 -0.391 0.000 1.145 71 T CA 1.386 62.911 62.100 -0.957 0.000 1.092 71 T CB -0.545 67.703 68.868 -1.034 0.000 0.908 71 T HN -0.064 nan 8.240 nan 0.000 0.526 72 D N 2.184 122.440 120.400 -0.240 0.000 2.158 72 D HA -0.051 4.589 4.640 -0.000 0.000 0.197 72 D C 2.276 178.555 176.300 -0.035 0.000 0.995 72 D CA 1.425 55.369 54.000 -0.092 0.000 0.846 72 D CB -0.834 39.950 40.800 -0.026 0.000 0.941 72 D HN 0.621 nan 8.370 nan 0.000 0.456 73 G N 0.041 108.836 108.800 -0.009 0.000 2.679 73 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.212 73 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.212 73 G C 1.604 176.528 174.900 0.040 0.000 1.137 73 G CA -0.019 45.107 45.100 0.043 0.000 0.787 73 G HN 0.268 nan 8.290 nan 0.000 0.534 74 L N 0.653 121.877 121.223 0.002 0.000 2.341 74 L HA 0.126 4.466 4.340 -0.000 0.000 0.214 74 L C 1.601 178.480 176.870 0.014 0.000 1.115 74 L CA 0.654 55.500 54.840 0.011 0.000 0.820 74 L CB -0.408 41.635 42.059 -0.027 0.000 0.944 74 L HN 0.169 nan 8.230 nan 0.000 0.452 75 T N -2.799 111.765 114.554 0.016 0.000 2.819 75 T HA 0.226 4.576 4.350 -0.000 0.000 0.271 75 T C -0.199 174.551 174.700 0.084 0.000 0.986 75 T CA -0.636 61.507 62.100 0.070 0.000 0.989 75 T CB 1.133 70.065 68.868 0.107 0.000 1.396 75 T HN -0.158 nan 8.240 nan 0.000 0.597 76 N N 0.900 119.683 118.700 0.139 0.000 2.706 76 N HA 0.213 4.953 4.740 -0.000 0.000 0.240 76 N C 0.379 175.943 175.510 0.091 0.000 1.039 76 N CA -0.559 52.531 53.050 0.066 0.000 0.888 76 N CB 0.675 39.155 38.487 -0.011 0.000 1.128 76 N HN 0.515 nan 8.380 nan 0.000 0.512 77 L N 2.685 123.948 121.223 0.068 0.000 2.042 77 L HA -0.065 4.275 4.340 -0.000 0.000 0.210 77 L C 1.194 178.067 176.870 0.005 0.000 1.076 77 L CA 1.864 56.745 54.840 0.067 0.000 0.749 77 L CB -0.145 41.925 42.059 0.019 0.000 0.893 77 L HN 0.415 nan 8.230 nan 0.000 0.432 78 D N -0.617 119.753 120.400 -0.049 0.000 2.218 78 D HA -0.185 4.455 4.640 -0.000 0.000 0.204 78 D C 2.195 178.429 176.300 -0.110 0.000 0.976 78 D CA 1.241 55.190 54.000 -0.086 0.000 0.853 78 D CB -0.163 40.593 40.800 -0.075 0.000 0.939 78 D HN 0.529 nan 8.370 nan 0.000 0.481 79 R N -0.508 119.887 120.500 -0.175 0.000 2.236 79 R HA -0.067 4.273 4.340 -0.000 0.000 0.208 79 R C 1.088 177.170 176.300 -0.364 0.000 1.036 79 R CA 0.830 56.748 56.100 -0.304 0.000 1.001 79 R CB -0.273 29.770 30.300 -0.428 0.000 0.896 79 R HN 0.198 nan 8.270 nan 0.000 0.464 80 Y N 1.996 122.287 120.300 -0.015 0.000 2.524 80 Y HA 0.165 4.715 4.550 0.000 0.000 0.270 80 Y C 0.386 176.293 175.900 0.011 0.000 1.094 80 Y CA -0.356 57.741 58.100 -0.005 0.000 1.276 80 Y CB 0.203 38.657 38.460 -0.010 0.000 1.130 80 Y HN 0.010 nan 8.280 nan 0.000 0.536 81 K N 1.350 121.826 120.400 0.126 0.000 2.485 81 K HA 0.254 4.574 4.320 -0.000 0.000 0.277 81 K C 0.609 177.267 176.600 0.097 0.000 0.990 81 K CA 0.235 56.605 56.287 0.139 0.000 0.994 81 K CB 0.516 33.009 32.500 -0.011 0.000 0.906 81 K HN 0.149 nan 8.250 nan 0.000 0.488 82 G N 2.470 111.372 108.800 0.172 0.000 2.569 82 G HA2 0.248 4.208 3.960 -0.000 0.000 0.249 82 G HA3 0.248 4.208 3.960 -0.000 0.000 0.249 82 G C -0.657 174.251 174.900 0.014 0.000 1.216 82 G CA -0.957 44.141 45.100 -0.004 0.000 0.845 82 G HN 0.832 nan 8.290 nan 0.000 0.568 83 R N -0.129 120.302 120.500 -0.115 0.000 2.535 83 R HA 0.368 4.708 4.340 -0.000 0.000 0.274 83 R C -1.583 174.766 176.300 0.081 0.000 1.090 83 R CA -0.764 55.323 56.100 -0.023 0.000 0.930 83 R CB 0.526 30.709 30.300 -0.196 0.000 1.223 83 R HN 0.495 nan 8.270 nan 0.000 0.441 84 C N 5.248 124.635 119.300 0.145 0.000 2.464 84 C HA 0.336 4.796 4.460 -0.000 0.000 0.370 84 C C 0.744 175.880 174.990 0.242 0.000 1.267 84 C CA -0.376 58.755 59.018 0.188 0.000 1.781 84 C CB -1.509 26.357 27.740 0.209 0.000 2.431 84 C HN 0.929 nan 8.230 nan 0.000 0.556 85 Y N 2.826 123.266 120.300 0.233 0.000 2.430 85 Y HA 0.485 5.035 4.550 -0.000 0.000 0.248 85 Y C 0.674 176.754 175.900 0.301 0.000 1.108 85 Y CA -0.233 57.990 58.100 0.205 0.000 1.264 85 Y CB -0.349 38.276 38.460 0.274 0.000 1.172 85 Y HN 0.777 nan 8.280 nan 0.000 0.520 86 H N 0.307 119.296 119.070 -0.134 0.000 3.085 86 H HA 0.551 5.107 4.556 -0.000 0.000 0.356 86 H C -2.024 173.402 175.328 0.165 0.000 1.178 86 H CA -0.900 55.163 56.048 0.024 0.000 1.214 86 H CB 2.149 31.849 29.762 -0.103 0.000 1.881 86 H HN 0.121 nan 8.280 nan 0.000 0.538 87 I N 3.806 124.118 120.570 -0.430 0.000 2.478 87 I HA 0.183 4.353 4.170 -0.000 0.000 0.287 87 I C -0.618 175.299 176.117 -0.333 0.000 1.042 87 I CA -0.423 60.734 61.300 -0.238 0.000 1.067 87 I CB 2.208 40.105 38.000 -0.172 0.000 1.233 87 I HN 0.493 nan 8.210 nan 0.000 0.431 88 E N 9.108 129.281 120.200 -0.045 0.000 2.224 88 E HA 0.504 4.854 4.350 -0.000 0.000 0.265 88 E C -2.727 173.984 176.600 0.185 0.000 0.878 88 E CA -2.063 54.388 56.400 0.085 0.000 0.759 88 E CB 2.489 32.329 29.700 0.234 0.000 1.164 88 E HN 0.162 nan 8.360 nan 0.000 0.414 89 P HA 0.059 nan 4.420 nan 0.000 0.275 89 P C -0.420 176.881 177.300 0.003 0.000 1.227 89 P CA -0.397 62.766 63.100 0.104 0.000 0.781 89 P CB 1.105 32.859 31.700 0.089 0.000 0.906 90 V N 2.718 122.572 119.914 -0.101 0.000 2.406 90 V HA 0.320 4.440 4.120 -0.000 0.000 0.272 90 V C 0.935 176.992 176.094 -0.060 0.000 1.043 90 V CA -0.668 61.597 62.300 -0.058 0.000 0.915 90 V CB 0.538 32.321 31.823 -0.068 0.000 0.988 90 V HN 0.683 nan 8.190 nan 0.000 0.466 91 A N 4.231 127.037 122.820 -0.023 0.000 2.491 91 A HA 0.528 4.848 4.320 -0.000 0.000 0.261 91 A C 1.421 178.991 177.584 -0.022 0.000 1.101 91 A CA 0.611 52.637 52.037 -0.019 0.000 0.772 91 A CB -0.460 18.537 19.000 -0.005 0.000 1.043 91 A HN 2.120 nan 8.150 nan 0.000 0.501 92 G N 1.480 110.264 108.800 -0.027 0.000 2.141 92 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.231 92 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.231 92 G C -0.188 174.693 174.900 -0.033 0.000 0.984 92 G CA 0.291 45.378 45.100 -0.022 0.000 0.660 92 G HN 0.770 nan 8.290 nan 0.000 0.525 93 E N 1.008 121.173 120.200 -0.058 0.000 2.234 93 E HA 0.355 4.705 4.350 -0.000 0.000 0.266 93 E C -0.096 176.438 176.600 -0.111 0.000 0.877 93 E CA -0.683 55.670 56.400 -0.079 0.000 0.758 93 E CB 1.498 31.140 29.700 -0.096 0.000 1.170 93 E HN 0.527 nan 8.360 nan 0.000 0.415 94 E N 2.663 122.810 120.200 -0.087 0.000 2.290 94 E HA 0.062 4.412 4.350 -0.000 0.000 0.277 94 E C 0.089 176.613 176.600 -0.127 0.000 1.035 94 E CA -0.466 55.881 56.400 -0.089 0.000 0.873 94 E CB 0.359 30.032 29.700 -0.046 0.000 1.029 94 E HN 0.403 nan 8.360 nan 0.000 0.419 95 N N 1.564 120.158 118.700 -0.176 0.000 2.727 95 N HA -0.255 4.485 4.740 -0.000 0.000 0.249 95 N C -1.227 174.127 175.510 -0.259 0.000 1.048 95 N CA 1.212 54.160 53.050 -0.170 0.000 0.714 95 N CB -0.795 37.680 38.487 -0.019 0.000 0.959 95 N HN 0.760 nan 8.380 nan 0.000 0.544 96 Q N 0.541 120.037 119.800 -0.507 0.000 2.304 96 Q HA 0.489 4.829 4.340 -0.000 0.000 0.270 96 Q C -1.500 174.142 176.000 -0.597 0.000 1.035 96 Q CA -0.689 54.886 55.803 -0.381 0.000 0.781 96 Q CB 1.013 29.648 28.738 -0.171 0.000 1.261 96 Q HN 0.271 nan 8.270 nan 0.000 0.444 97 Y N 2.326 122.611 120.300 -0.025 0.000 2.512 97 Y HA 0.446 4.996 4.550 -0.000 0.000 0.348 97 Y C -0.175 175.707 175.900 -0.030 0.000 0.990 97 Y CA -1.240 56.843 58.100 -0.028 0.000 1.033 97 Y CB 1.454 39.882 38.460 -0.054 0.000 1.259 97 Y HN 0.467 nan 8.280 nan 0.000 0.461 98 I N 2.733 123.379 120.570 0.127 0.000 2.363 98 I HA 0.131 4.301 4.170 -0.000 0.000 0.292 98 I C -0.356 175.747 176.117 -0.023 0.000 1.075 98 I CA -0.545 60.763 61.300 0.014 0.000 1.333 98 I CB -0.373 37.635 38.000 0.013 0.000 1.415 98 I HN 0.581 nan 8.210 nan 0.000 0.502 99 C N 7.396 126.658 119.300 -0.064 0.000 2.303 99 C HA 0.467 4.927 4.460 -0.000 0.000 0.326 99 C C -0.005 174.934 174.990 -0.086 0.000 1.285 99 C CA -0.736 58.265 59.018 -0.028 0.000 1.675 99 C CB -0.155 27.577 27.740 -0.013 0.000 2.289 99 C HN 0.513 nan 8.230 nan 0.000 0.512 100 Y N 1.857 122.144 120.300 -0.022 0.000 2.326 100 Y HA 0.565 5.115 4.550 -0.000 0.000 0.337 100 Y C 0.309 176.095 175.900 -0.189 0.000 1.023 100 Y CA -0.338 57.698 58.100 -0.106 0.000 1.143 100 Y CB 0.905 39.125 38.460 -0.399 0.000 1.183 100 Y HN 0.417 nan 8.280 nan 0.000 0.485 101 V N 2.931 123.005 119.914 0.268 0.000 2.656 101 V HA 0.831 4.951 4.120 -0.000 0.000 0.307 101 V C -0.433 175.821 176.094 0.267 0.000 1.051 101 V CA -1.066 61.363 62.300 0.214 0.000 0.893 101 V CB 1.767 33.663 31.823 0.121 0.000 0.999 101 V HN 0.835 nan 8.190 nan 0.000 0.426 102 A N 3.971 126.883 122.820 0.152 0.000 2.330 102 A HA 0.892 5.212 4.320 -0.000 0.000 0.327 102 A C -1.549 175.948 177.584 -0.145 0.000 1.155 102 A CA -0.412 51.688 52.037 0.106 0.000 0.803 102 A CB 0.799 19.888 19.000 0.149 0.000 1.208 102 A HN 0.762 nan 8.150 nan 0.000 0.477 103 Y N 1.980 122.402 120.300 0.202 0.000 2.361 103 Y HA 0.440 4.990 4.550 0.000 0.000 0.337 103 Y C -2.436 173.599 175.900 0.225 0.000 0.965 103 Y CA -2.458 55.774 58.100 0.219 0.000 1.091 103 Y CB 1.799 40.485 38.460 0.377 0.000 1.182 103 Y HN 0.479 nan 8.280 nan 0.000 0.450 104 P HA -0.057 nan 4.420 nan 0.000 0.267 104 P C 0.838 178.295 177.300 0.261 0.000 1.200 104 P CA -0.113 63.109 63.100 0.204 0.000 0.772 104 P CB 0.918 32.693 31.700 0.126 0.000 0.855 105 L N 3.141 124.491 121.223 0.212 0.000 2.051 105 L HA -0.246 4.094 4.340 -0.000 0.000 0.214 105 L C 1.351 178.353 176.870 0.220 0.000 1.076 105 L CA 2.148 57.120 54.840 0.220 0.000 0.758 105 L CB -1.144 41.003 42.059 0.146 0.000 0.890 105 L HN 0.305 nan 8.230 nan 0.000 0.433 106 D N -1.011 119.485 120.400 0.160 0.000 2.350 106 D HA -0.104 4.536 4.640 -0.000 0.000 0.216 106 D C 2.204 178.528 176.300 0.040 0.000 0.968 106 D CA 0.762 54.848 54.000 0.144 0.000 0.894 106 D CB -0.099 40.841 40.800 0.233 0.000 0.909 106 D HN 0.398 nan 8.370 nan 0.000 0.520 107 L N -0.783 120.368 121.223 -0.119 0.000 2.376 107 L HA -0.009 4.331 4.340 -0.000 0.000 0.219 107 L C 0.225 176.719 176.870 -0.626 0.000 1.133 107 L CA 0.395 54.969 54.840 -0.444 0.000 0.816 107 L CB -0.174 41.469 42.059 -0.693 0.000 0.933 107 L HN -0.094 nan 8.230 nan 0.000 0.449 108 F N -0.257 119.668 119.950 -0.043 0.000 2.450 108 F HA 0.300 4.827 4.527 -0.000 0.000 0.332 108 F C 0.648 176.492 175.800 0.075 0.000 1.093 108 F CA -1.186 56.781 58.000 -0.055 0.000 1.003 108 F CB 0.923 39.718 39.000 -0.342 0.000 1.151 108 F HN -0.179 nan 8.300 nan 0.000 0.474 109 E N 1.899 122.262 120.200 0.273 0.000 2.290 109 E HA 0.140 4.490 4.350 -0.000 0.000 0.277 109 E C -0.769 175.980 176.600 0.249 0.000 1.035 109 E CA -0.590 55.926 56.400 0.193 0.000 0.873 109 E CB 0.554 30.314 29.700 0.099 0.000 1.029 109 E HN 0.503 nan 8.360 nan 0.000 0.419 110 E N 2.501 122.778 120.200 0.128 0.000 2.452 110 E HA 0.159 4.509 4.350 -0.000 0.000 0.261 110 E C 0.959 177.331 176.600 -0.381 0.000 0.987 110 E CA 1.358 57.710 56.400 -0.079 0.000 0.926 110 E CB 0.519 30.174 29.700 -0.075 0.000 0.934 110 E HN 0.813 nan 8.360 nan 0.000 0.452 111 G N 2.424 110.614 108.800 -1.016 0.000 2.168 111 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.263 111 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.263 111 G C 0.402 174.869 174.900 -0.720 0.000 0.977 111 G CA 0.529 44.864 45.100 -1.275 0.000 0.659 111 G HN 0.522 nan 8.290 nan 0.000 0.533 112 S N -0.235 115.271 115.700 -0.323 0.000 2.505 112 S HA 0.520 4.990 4.470 -0.000 0.000 0.280 112 S C 1.622 176.299 174.600 0.129 0.000 1.197 112 S CA 0.100 58.297 58.200 -0.007 0.000 1.138 112 S CB 1.038 64.255 63.200 0.029 0.000 1.010 112 S HN 0.536 nan 8.310 nan 0.000 0.480 113 V N 4.648 124.609 119.914 0.078 0.000 2.324 113 V HA -0.179 3.941 4.120 -0.000 0.000 0.250 113 V C 2.599 178.442 176.094 -0.419 0.000 1.060 113 V CA 2.583 64.671 62.300 -0.354 0.000 1.042 113 V CB -1.184 30.117 31.823 -0.870 0.000 0.650 113 V HN 0.812 nan 8.190 nan 0.000 0.450 114 T N 0.179 114.621 114.554 -0.186 0.000 2.624 114 T HA -0.314 4.036 4.350 -0.000 0.000 0.268 114 T C 1.917 176.643 174.700 0.043 0.000 1.041 114 T CA 2.123 64.214 62.100 -0.015 0.000 1.159 114 T CB -0.583 68.329 68.868 0.074 0.000 0.863 114 T HN 0.600 nan 8.240 nan 0.000 0.434 115 N N 0.459 119.201 118.700 0.070 0.000 2.166 115 N HA -0.088 4.652 4.740 -0.000 0.000 0.186 115 N C 2.067 177.691 175.510 0.191 0.000 1.019 115 N CA 1.178 54.301 53.050 0.123 0.000 0.856 115 N CB -0.222 38.348 38.487 0.139 0.000 0.993 115 N HN 0.442 nan 8.380 nan 0.000 0.426 116 M N -0.253 119.458 119.600 0.185 0.000 2.077 116 M HA -0.147 4.333 4.480 -0.000 0.000 0.261 116 M C 1.452 177.895 176.300 0.238 0.000 1.070 116 M CA 1.437 56.856 55.300 0.198 0.000 1.125 116 M CB -0.165 32.424 32.600 -0.018 0.000 1.339 116 M HN -0.013 nan 8.290 nan 0.000 0.409 117 F N 0.743 120.685 119.950 -0.013 0.000 2.171 117 F HA -0.156 4.371 4.527 -0.000 0.000 0.300 117 F C 2.584 178.398 175.800 0.024 0.000 1.090 117 F CA 1.628 59.619 58.000 -0.015 0.000 1.293 117 F CB -1.898 37.077 39.000 -0.041 0.000 1.013 117 F HN 0.224 nan 8.300 nan 0.000 0.486 118 T N -0.801 113.884 114.554 0.218 0.000 2.684 118 T HA -0.191 4.159 4.350 -0.000 0.000 0.267 118 T C 2.395 177.155 174.700 0.100 0.000 1.036 118 T CA 1.828 64.006 62.100 0.130 0.000 1.148 118 T CB -0.510 68.415 68.868 0.094 0.000 0.863 118 T HN 0.158 nan 8.240 nan 0.000 0.436 119 S N 0.683 116.440 115.700 0.096 0.000 2.348 119 S HA 0.052 4.522 4.470 -0.000 0.000 0.221 119 S C 2.020 176.664 174.600 0.074 0.000 1.033 119 S CA 0.948 59.174 58.200 0.043 0.000 1.010 119 S CB -0.321 62.851 63.200 -0.046 0.000 0.891 119 S HN 0.407 nan 8.310 nan 0.000 0.442 120 I N 0.105 120.733 120.570 0.098 0.000 2.716 120 I HA 0.041 4.211 4.170 -0.000 0.000 0.259 120 I C 1.096 177.420 176.117 0.345 0.000 1.172 120 I CA 0.743 62.132 61.300 0.148 0.000 1.478 120 I CB 0.277 38.297 38.000 0.035 0.000 1.104 120 I HN 0.106 nan 8.210 nan 0.000 0.439 121 V N 0.068 120.124 119.914 0.236 0.000 3.276 121 V HA 0.264 4.384 4.120 -0.000 0.000 0.319 121 V C 1.621 177.779 176.094 0.106 0.000 1.476 121 V CA 0.421 62.861 62.300 0.233 0.000 1.097 121 V CB 0.709 32.496 31.823 -0.060 0.000 0.988 121 V HN 0.382 nan 8.190 nan 0.000 0.473 122 G N 0.923 109.792 108.800 0.116 0.000 2.424 122 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.214 122 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.214 122 G C 1.140 176.062 174.900 0.036 0.000 1.202 122 G CA 0.990 46.123 45.100 0.055 0.000 0.793 122 G HN 0.523 nan 8.290 nan 0.000 0.534 123 N N -0.389 118.325 118.700 0.023 0.000 2.382 123 N HA 0.008 4.748 4.740 -0.000 0.000 0.200 123 N C 2.234 177.677 175.510 -0.112 0.000 1.122 123 N CA 0.883 53.896 53.050 -0.061 0.000 0.870 123 N CB 0.401 38.804 38.487 -0.140 0.000 1.176 123 N HN 0.274 nan 8.380 nan 0.000 0.474 124 V N -1.285 118.600 119.914 -0.048 0.000 2.759 124 V HA -0.010 4.110 4.120 -0.000 0.000 0.256 124 V C 1.545 177.631 176.094 -0.013 0.000 1.080 124 V CA 1.177 63.394 62.300 -0.139 0.000 1.101 124 V CB -1.185 30.563 31.823 -0.124 0.000 0.698 124 V HN -0.078 nan 8.190 nan 0.000 0.477 125 F N 2.505 122.429 119.950 -0.044 0.000 2.641 125 F HA 0.306 4.833 4.527 0.000 0.000 0.298 125 F C 2.174 178.027 175.800 0.088 0.000 1.146 125 F CA 1.018 59.037 58.000 0.032 0.000 1.464 125 F CB -0.618 38.400 39.000 0.031 0.000 1.101 125 F HN 0.363 nan 8.300 nan 0.000 0.585 126 G N -1.769 107.126 108.800 0.157 0.000 3.377 126 G HA2 0.066 4.026 3.960 -0.000 0.000 0.257 126 G HA3 0.066 4.026 3.960 -0.000 0.000 0.257 126 G C 0.080 175.032 174.900 0.087 0.000 1.038 126 G CA -0.225 44.938 45.100 0.105 0.000 0.809 126 G HN -0.036 nan 8.290 nan 0.000 0.526 127 F N 1.712 121.673 119.950 0.018 0.000 2.623 127 F HA 0.116 4.643 4.527 0.000 0.000 0.383 127 F C 1.797 177.594 175.800 -0.005 0.000 1.077 127 F CA 0.124 58.117 58.000 -0.012 0.000 1.268 127 F CB 0.944 39.910 39.000 -0.057 0.000 1.053 127 F HN -0.003 nan 8.300 nan 0.000 0.571 128 K N 2.910 123.470 120.400 0.266 0.000 2.103 128 K HA -0.157 4.163 4.320 -0.000 0.000 0.207 128 K C 1.957 178.601 176.600 0.072 0.000 1.048 128 K CA 1.373 57.735 56.287 0.124 0.000 0.930 128 K CB -0.155 32.397 32.500 0.087 0.000 0.716 128 K HN 0.702 nan 8.250 nan 0.000 0.444 129 A N 0.884 123.723 122.820 0.030 0.000 2.216 129 A HA 0.015 4.335 4.320 -0.000 0.000 0.214 129 A C 0.682 178.234 177.584 -0.053 0.000 1.160 129 A CA 0.673 52.673 52.037 -0.061 0.000 0.725 129 A CB -0.295 18.591 19.000 -0.190 0.000 0.784 129 A HN 0.109 nan 8.150 nan 0.000 0.472 130 L N -1.676 119.550 121.223 0.004 0.000 2.334 130 L HA 0.438 4.778 4.340 -0.000 0.000 0.276 130 L C 1.171 178.066 176.870 0.041 0.000 1.014 130 L CA -0.741 54.103 54.840 0.008 0.000 0.815 130 L CB 1.615 43.678 42.059 0.007 0.000 1.268 130 L HN 0.119 nan 8.230 nan 0.000 0.428 131 R N 1.398 121.920 120.500 0.037 0.000 2.173 131 R HA 0.364 4.704 4.340 -0.000 0.000 0.208 131 R C 0.059 176.411 176.300 0.088 0.000 1.035 131 R CA 0.564 56.692 56.100 0.047 0.000 1.004 131 R CB 0.386 30.705 30.300 0.032 0.000 0.917 131 R HN 0.736 nan 8.270 nan 0.000 0.462 132 A N 0.372 123.261 122.820 0.114 0.000 2.599 132 A HA 0.561 4.881 4.320 -0.000 0.000 0.294 132 A C -2.159 175.484 177.584 0.098 0.000 1.055 132 A CA -0.681 51.502 52.037 0.243 0.000 0.683 132 A CB 1.454 20.586 19.000 0.220 0.000 1.278 132 A HN 0.028 nan 8.150 nan 0.000 0.412 133 L N 0.668 121.896 121.223 0.010 0.000 2.526 133 L HA 0.795 5.135 4.340 -0.000 0.000 0.263 133 L C -0.670 176.014 176.870 -0.309 0.000 0.943 133 L CA -0.081 54.569 54.840 -0.316 0.000 0.859 133 L CB 1.923 43.562 42.059 -0.700 0.000 1.313 133 L HN 0.841 nan 8.230 nan 0.000 0.406 134 R N 4.160 124.609 120.500 -0.084 0.000 2.538 134 R HA 0.561 4.901 4.340 -0.000 0.000 0.292 134 R C -1.831 174.532 176.300 0.105 0.000 1.008 134 R CA -0.889 55.260 56.100 0.081 0.000 0.896 134 R CB 1.736 32.079 30.300 0.072 0.000 1.187 134 R HN 0.667 nan 8.270 nan 0.000 0.440 135 L N 4.514 125.842 121.223 0.176 0.000 2.278 135 L HA 0.242 4.582 4.340 -0.000 0.000 0.287 135 L C 0.737 177.542 176.870 -0.109 0.000 1.072 135 L CA 0.522 55.318 54.840 -0.073 0.000 0.819 135 L CB 1.118 43.126 42.059 -0.085 0.000 1.176 135 L HN 0.696 nan 8.230 nan 0.000 0.435 136 E N 2.296 122.341 120.200 -0.258 0.000 2.216 136 E HA 0.100 4.450 4.350 -0.000 0.000 0.192 136 E C -0.255 176.172 176.600 -0.289 0.000 0.973 136 E CA 0.494 56.704 56.400 -0.316 0.000 0.851 136 E CB 0.398 29.662 29.700 -0.726 0.000 0.804 136 E HN 0.697 nan 8.360 nan 0.000 0.477 137 D N -1.103 119.145 120.400 -0.254 0.000 2.683 137 D HA 0.361 5.001 4.640 -0.000 0.000 0.246 137 D C -1.545 174.838 176.300 0.137 0.000 1.238 137 D CA -0.430 53.558 54.000 -0.020 0.000 0.759 137 D CB 1.272 42.098 40.800 0.043 0.000 1.349 137 D HN -0.144 nan 8.370 nan 0.000 0.426 138 L N 1.394 122.701 121.223 0.141 0.000 2.408 138 L HA 0.513 4.853 4.340 -0.000 0.000 0.268 138 L C -0.260 176.496 176.870 -0.189 0.000 0.986 138 L CA -0.910 53.904 54.840 -0.044 0.000 0.820 138 L CB 2.250 44.265 42.059 -0.073 0.000 1.303 138 L HN 0.180 nan 8.230 nan 0.000 0.411 139 R N 4.028 124.165 120.500 -0.605 0.000 2.204 139 R HA 0.465 4.805 4.340 -0.000 0.000 0.341 139 R C -1.029 175.064 176.300 -0.345 0.000 1.035 139 R CA -0.436 55.352 56.100 -0.519 0.000 0.887 139 R CB 0.261 30.101 30.300 -0.766 0.000 1.114 139 R HN 0.553 nan 8.270 nan 0.000 0.473 140 I N 7.926 128.313 120.570 -0.305 0.000 2.312 140 I HA 0.232 4.402 4.170 -0.000 0.000 0.291 140 I C -1.701 174.281 176.117 -0.225 0.000 1.031 140 I CA -2.014 59.129 61.300 -0.262 0.000 1.293 140 I CB 1.556 39.386 38.000 -0.282 0.000 1.403 140 I HN 0.306 nan 8.210 nan 0.000 0.484 141 P HA -0.015 nan 4.420 nan 0.000 0.271 141 P C 1.024 178.303 177.300 -0.034 0.000 1.218 141 P CA -0.197 62.857 63.100 -0.076 0.000 0.780 141 P CB 1.173 32.855 31.700 -0.030 0.000 0.901 142 V N 0.167 120.061 119.914 -0.033 0.000 2.626 142 V HA -0.169 3.951 4.120 -0.000 0.000 0.252 142 V C 2.225 178.347 176.094 0.046 0.000 1.067 142 V CA 1.885 64.181 62.300 -0.008 0.000 1.081 142 V CB -2.120 29.702 31.823 -0.002 0.000 0.686 142 V HN 0.521 nan 8.190 nan 0.000 0.468 143 A N -0.857 122.002 122.820 0.066 0.000 2.015 143 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 143 A C 2.124 179.808 177.584 0.167 0.000 1.163 143 A CA 1.861 53.956 52.037 0.096 0.000 0.646 143 A CB -0.727 18.326 19.000 0.089 0.000 0.806 143 A HN 0.712 nan 8.150 nan 0.000 0.448 144 Y N -0.049 120.276 120.300 0.043 0.000 2.347 144 Y HA 0.007 4.557 4.550 -0.000 0.000 0.294 144 Y C 2.264 178.289 175.900 0.208 0.000 1.117 144 Y CA 0.993 59.154 58.100 0.102 0.000 1.184 144 Y CB -0.078 38.408 38.460 0.043 0.000 1.047 144 Y HN 0.047 nan 8.280 nan 0.000 0.546 145 V N 0.764 120.756 119.914 0.130 0.000 2.324 145 V HA -0.345 3.775 4.120 -0.000 0.000 0.250 145 V C 2.239 178.436 176.094 0.172 0.000 1.060 145 V CA 2.123 64.483 62.300 0.099 0.000 1.042 145 V CB -0.559 31.288 31.823 0.039 0.000 0.650 145 V HN 0.248 nan 8.190 nan 0.000 0.450 146 K N 0.544 121.008 120.400 0.107 0.000 2.442 146 K HA -0.071 4.249 4.320 -0.000 0.000 0.198 146 K C 2.090 178.706 176.600 0.028 0.000 1.042 146 K CA 1.487 57.818 56.287 0.073 0.000 0.958 146 K CB -0.695 31.835 32.500 0.050 0.000 0.766 146 K HN 0.760 nan 8.250 nan 0.000 0.474 147 T N -1.890 112.648 114.554 -0.028 0.000 3.160 147 T HA 0.083 4.433 4.350 -0.000 0.000 0.257 147 T C 0.498 174.966 174.700 -0.387 0.000 1.147 147 T CA -0.054 61.912 62.100 -0.224 0.000 1.064 147 T CB -0.306 68.341 68.868 -0.368 0.000 0.949 147 T HN -0.141 nan 8.240 nan 0.000 0.526 148 F N 0.775 120.640 119.950 -0.142 0.000 2.507 148 F HA 0.475 5.002 4.527 0.000 0.000 0.327 148 F C 1.509 177.282 175.800 -0.045 0.000 1.068 148 F CA -1.275 56.669 58.000 -0.093 0.000 0.965 148 F CB 2.029 40.965 39.000 -0.106 0.000 1.192 148 F HN -0.144 nan 8.300 nan 0.000 0.476 149 Q N 2.029 121.926 119.800 0.162 0.000 2.187 149 Q HA 0.215 4.555 4.340 -0.000 0.000 0.199 149 Q C 1.009 177.055 176.000 0.076 0.000 0.957 149 Q CA 1.091 56.934 55.803 0.068 0.000 0.857 149 Q CB -0.025 28.724 28.738 0.018 0.000 0.929 149 Q HN 1.004 nan 8.270 nan 0.000 0.453 150 G N 0.728 109.597 108.800 0.114 0.000 2.698 150 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.233 150 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.233 150 G C -2.504 172.384 174.900 -0.020 0.000 1.352 150 G CA -0.384 44.727 45.100 0.019 0.000 0.879 150 G HN 0.331 nan 8.290 nan 0.000 0.567 151 P HA 0.169 nan 4.420 nan 0.000 0.266 151 P C -1.712 175.521 177.300 -0.113 0.000 1.193 151 P CA -0.426 62.624 63.100 -0.084 0.000 0.770 151 P CB 0.210 31.858 31.700 -0.087 0.000 0.836 152 P HA -0.160 nan 4.420 nan 0.000 0.216 152 P C 0.979 177.864 177.300 -0.691 0.000 1.153 152 P CA 1.914 64.786 63.100 -0.379 0.000 0.848 152 P CB 0.025 31.529 31.700 -0.327 0.000 0.787 153 H N -3.089 115.966 119.070 -0.025 0.000 2.143 153 H HA 0.368 4.924 4.556 -0.000 0.000 0.238 153 H C 1.135 176.456 175.328 -0.010 0.000 0.914 153 H CA 1.133 57.172 56.048 -0.015 0.000 1.154 153 H CB -0.068 29.687 29.762 -0.011 0.000 1.359 153 H HN 0.071 nan 8.280 nan 0.000 0.493 154 G N 0.952 109.810 108.800 0.097 0.000 2.699 154 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.686 154 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.686 154 G C 0.793 175.736 174.900 0.071 0.000 1.301 154 G CA -0.069 45.058 45.100 0.045 0.000 0.816 154 G HN 0.229 nan 8.290 nan 0.000 0.595 155 I N 0.252 120.852 120.570 0.049 0.000 2.151 155 I HA -0.291 3.879 4.170 -0.000 0.000 0.243 155 I C 2.919 179.082 176.117 0.076 0.000 1.080 155 I CA 2.447 63.783 61.300 0.060 0.000 1.339 155 I CB -0.215 37.809 38.000 0.041 0.000 1.039 155 I HN 0.774 nan 8.210 nan 0.000 0.409 156 Q N 1.016 120.862 119.800 0.076 0.000 2.020 156 Q HA -0.187 4.153 4.340 -0.000 0.000 0.202 156 Q C 2.371 178.432 176.000 0.102 0.000 0.982 156 Q CA 2.197 58.057 55.803 0.095 0.000 0.838 156 Q CB -0.027 28.759 28.738 0.080 0.000 0.899 156 Q HN 0.375 nan 8.270 nan 0.000 0.423 157 V N 1.379 121.350 119.914 0.094 0.000 2.407 157 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 157 V C 2.317 178.448 176.094 0.062 0.000 1.055 157 V CA 2.190 64.546 62.300 0.093 0.000 1.049 157 V CB -0.742 31.160 31.823 0.132 0.000 0.662 157 V HN 0.496 nan 8.190 nan 0.000 0.455 158 E N 0.460 120.702 120.200 0.069 0.000 2.051 158 E HA -0.243 4.107 4.350 -0.000 0.000 0.192 158 E C 2.458 179.070 176.600 0.020 0.000 0.991 158 E CA 1.379 57.808 56.400 0.047 0.000 0.799 158 E CB -0.099 29.664 29.700 0.106 0.000 0.748 158 E HN 0.522 nan 8.360 nan 0.000 0.449 159 R N 0.421 120.926 120.500 0.008 0.000 2.105 159 R HA -0.142 4.198 4.340 -0.000 0.000 0.239 159 R C 1.972 178.164 176.300 -0.181 0.000 1.135 159 R CA 1.563 57.585 56.100 -0.130 0.000 0.967 159 R CB -0.216 30.041 30.300 -0.073 0.000 0.861 159 R HN 0.311 nan 8.270 nan 0.000 0.442 160 D N 0.449 120.873 120.400 0.040 0.000 2.117 160 D HA -0.101 4.539 4.640 -0.000 0.000 0.198 160 D C 1.800 178.121 176.300 0.034 0.000 0.982 160 D CA 0.947 55.016 54.000 0.114 0.000 0.828 160 D CB -0.023 40.867 40.800 0.150 0.000 0.967 160 D HN 0.034 nan 8.370 nan 0.000 0.464 161 K N 0.592 120.993 120.400 0.001 0.000 2.057 161 K HA -0.029 4.291 4.320 -0.000 0.000 0.207 161 K C 2.213 178.799 176.600 -0.022 0.000 1.049 161 K CA 0.515 56.791 56.287 -0.018 0.000 0.931 161 K CB -0.400 32.065 32.500 -0.060 0.000 0.714 161 K HN 0.272 nan 8.250 nan 0.000 0.440 162 L N 0.202 121.397 121.223 -0.047 0.000 2.509 162 L HA 0.081 4.421 4.340 -0.000 0.000 0.222 162 L C 0.523 177.322 176.870 -0.120 0.000 1.123 162 L CA -0.006 54.799 54.840 -0.060 0.000 0.856 162 L CB -0.475 41.558 42.059 -0.043 0.000 0.985 162 L HN 0.388 nan 8.230 nan 0.000 0.456 163 N N 1.274 119.866 118.700 -0.180 0.000 2.754 163 N HA -0.177 4.563 4.740 -0.000 0.000 0.248 163 N C -0.418 174.855 175.510 -0.396 0.000 1.093 163 N CA 0.456 53.381 53.050 -0.208 0.000 0.699 163 N CB -0.345 38.128 38.487 -0.023 0.000 1.016 163 N HN 0.370 nan 8.380 nan 0.000 0.552 164 K N 1.308 121.305 120.400 -0.671 0.000 2.413 164 K HA 0.398 4.718 4.320 -0.000 0.000 0.257 164 K C -1.470 174.734 176.600 -0.660 0.000 0.946 164 K CA -0.336 55.657 56.287 -0.490 0.000 0.823 164 K CB 1.054 33.392 32.500 -0.271 0.000 1.109 164 K HN 0.086 nan 8.250 nan 0.000 0.427 165 Y N -0.406 119.898 120.300 0.008 0.000 2.504 165 Y HA 0.424 4.974 4.550 -0.000 0.000 0.344 165 Y C 0.911 176.818 175.900 0.012 0.000 1.023 165 Y CA -0.888 57.220 58.100 0.014 0.000 1.020 165 Y CB 2.562 41.030 38.460 0.014 0.000 1.282 165 Y HN 0.780 nan 8.280 nan 0.000 0.454 166 G N 1.925 110.828 108.800 0.172 0.000 2.141 166 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.231 166 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.231 166 G C -0.302 174.641 174.900 0.073 0.000 0.984 166 G CA 0.022 45.187 45.100 0.109 0.000 0.660 166 G HN 0.907 nan 8.290 nan 0.000 0.525 167 R N -1.649 118.887 120.500 0.061 0.000 2.687 167 R HA 0.565 4.905 4.340 -0.000 0.000 0.265 167 R C -3.402 172.921 176.300 0.039 0.000 1.048 167 R CA -1.681 54.447 56.100 0.047 0.000 0.884 167 R CB 0.426 30.747 30.300 0.035 0.000 1.258 167 R HN 0.003 nan 8.270 nan 0.000 0.469 168 P HA -0.016 nan 4.420 nan 0.000 0.266 168 P C -0.382 176.928 177.300 0.016 0.000 1.193 168 P CA 0.020 63.142 63.100 0.035 0.000 0.770 168 P CB 0.410 32.143 31.700 0.055 0.000 0.836 169 L N 2.234 123.461 121.223 0.008 0.000 2.439 169 L HA 0.362 4.702 4.340 -0.000 0.000 0.261 169 L C 0.428 177.319 176.870 0.036 0.000 1.153 169 L CA -0.553 54.283 54.840 -0.008 0.000 0.808 169 L CB 0.069 42.144 42.059 0.026 0.000 1.126 169 L HN 0.208 nan 8.230 nan 0.000 0.460 170 L N 1.123 122.352 121.223 0.011 0.000 2.333 170 L HA 0.672 5.012 4.340 -0.000 0.000 0.280 170 L C 0.264 177.201 176.870 0.111 0.000 1.004 170 L CA -0.208 54.682 54.840 0.083 0.000 0.820 170 L CB 1.734 43.822 42.059 0.048 0.000 1.247 170 L HN 0.731 nan 8.230 nan 0.000 0.416 171 G N 0.887 109.786 108.800 0.165 0.000 3.140 171 G HA2 0.645 4.605 3.960 -0.000 0.000 0.271 171 G HA3 0.645 4.605 3.960 -0.000 0.000 0.271 171 G C -1.788 173.155 174.900 0.072 0.000 1.370 171 G CA -0.532 44.647 45.100 0.132 0.000 1.014 171 G HN 0.655 nan 8.290 nan 0.000 0.541 172 C N 0.111 119.397 119.300 -0.024 0.000 3.097 172 C HA 0.573 5.033 4.460 -0.000 0.000 0.422 172 C C -0.216 174.735 174.990 -0.065 0.000 0.999 172 C CA -0.523 58.493 59.018 -0.004 0.000 1.235 172 C CB 0.144 27.899 27.740 0.026 0.000 1.615 172 C HN 0.879 nan 8.230 nan 0.000 0.553 173 T N 7.033 121.568 114.554 -0.032 0.000 2.851 173 T HA 0.369 4.719 4.350 -0.000 0.000 0.298 173 T C 0.592 175.278 174.700 -0.023 0.000 0.977 173 T CA -0.261 61.826 62.100 -0.023 0.000 1.126 173 T CB 0.394 69.279 68.868 0.029 0.000 0.916 173 T HN 0.582 nan 8.240 nan 0.000 0.529 174 I N 3.672 124.207 120.570 -0.057 0.000 2.588 174 I HA 0.181 4.351 4.170 -0.000 0.000 0.283 174 I C 0.834 176.914 176.117 -0.061 0.000 1.119 174 I CA -0.039 61.165 61.300 -0.160 0.000 1.419 174 I CB 0.082 37.739 38.000 -0.571 0.000 1.394 174 I HN 0.475 nan 8.210 nan 0.000 0.562 175 K N 6.201 126.575 120.400 -0.044 0.000 2.288 175 K HA 0.541 4.861 4.320 -0.000 0.000 0.234 175 K C -2.363 174.244 176.600 0.013 0.000 1.037 175 K CA -1.700 54.595 56.287 0.013 0.000 0.914 175 K CB -0.004 32.516 32.500 0.034 0.000 1.197 175 K HN 0.286 nan 8.250 nan 0.000 0.471 176 P HA -0.208 nan 4.420 nan 0.000 0.233 176 P C 0.013 177.341 177.300 0.048 0.000 1.031 176 P CA 0.771 63.883 63.100 0.020 0.000 0.772 176 P CB -0.015 31.683 31.700 -0.004 0.000 0.604 177 K N 0.833 121.257 120.400 0.039 0.000 2.034 177 K HA -0.146 4.174 4.320 -0.000 0.000 0.214 177 K C 1.012 177.664 176.600 0.086 0.000 1.051 177 K CA 1.158 57.486 56.287 0.069 0.000 0.931 177 K CB -0.099 32.426 32.500 0.041 0.000 0.715 177 K HN 0.262 nan 8.250 nan 0.000 0.446 178 L N -2.056 119.141 121.223 -0.044 0.000 2.333 178 L HA 0.392 4.732 4.340 -0.000 0.000 0.263 178 L C 0.919 177.455 176.870 -0.555 0.000 1.014 178 L CA 0.560 55.231 54.840 -0.281 0.000 0.820 178 L CB 1.404 43.315 42.059 -0.245 0.000 1.352 178 L HN 0.515 nan 8.230 nan 0.000 0.421 179 G N 1.207 109.230 108.800 -1.295 0.000 2.218 179 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.216 179 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.216 179 G C 0.129 174.900 174.900 -0.215 0.000 0.994 179 G CA -0.119 44.510 45.100 -0.785 0.000 0.637 179 G HN 0.397 nan 8.290 nan 0.000 0.505 180 L N 2.031 123.271 121.223 0.029 0.000 2.439 180 L HA 0.568 4.908 4.340 -0.000 0.000 0.261 180 L C 1.499 178.559 176.870 0.317 0.000 1.153 180 L CA 0.041 55.001 54.840 0.201 0.000 0.808 180 L CB 1.257 43.495 42.059 0.298 0.000 1.126 180 L HN 0.464 nan 8.230 nan 0.000 0.460 181 S N 0.701 116.530 115.700 0.215 0.000 2.669 181 S HA 0.400 4.870 4.470 -0.000 0.000 0.270 181 S C 0.946 175.632 174.600 0.145 0.000 1.225 181 S CA -0.223 58.079 58.200 0.171 0.000 0.991 181 S CB 1.581 64.827 63.200 0.077 0.000 0.987 181 S HN 0.693 nan 8.310 nan 0.000 0.552 182 A N 1.247 124.123 122.820 0.092 0.000 1.892 182 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 182 A C 2.143 179.694 177.584 -0.055 0.000 1.188 182 A CA 1.953 54.060 52.037 0.116 0.000 0.631 182 A CB -0.968 18.173 19.000 0.234 0.000 0.822 182 A HN 0.906 nan 8.150 nan 0.000 0.447 183 K N -0.608 119.548 120.400 -0.408 0.000 2.155 183 K HA -0.086 4.234 4.320 -0.000 0.000 0.203 183 K C 1.695 178.141 176.600 -0.256 0.000 1.052 183 K CA 1.377 57.225 56.287 -0.731 0.000 0.948 183 K CB -0.230 31.801 32.500 -0.782 0.000 0.728 183 K HN 0.664 nan 8.250 nan 0.000 0.448 184 N N -0.808 117.845 118.700 -0.078 0.000 2.300 184 N HA -0.127 4.613 4.740 -0.000 0.000 0.179 184 N C 1.443 176.993 175.510 0.068 0.000 1.016 184 N CA 0.473 53.526 53.050 0.004 0.000 0.876 184 N CB -0.033 38.475 38.487 0.036 0.000 0.979 184 N HN 0.120 nan 8.380 nan 0.000 0.432 185 Y N 1.395 121.696 120.300 0.002 0.000 2.128 185 Y HA -0.183 4.367 4.550 0.000 0.000 0.284 185 Y C 2.490 178.394 175.900 0.007 0.000 1.154 185 Y CA 1.835 59.955 58.100 0.034 0.000 1.149 185 Y CB -0.751 37.755 38.460 0.076 0.000 0.976 185 Y HN 0.032 nan 8.280 nan 0.000 0.505 186 G N -0.671 108.218 108.800 0.148 0.000 2.421 186 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.216 186 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.216 186 G C 1.762 176.709 174.900 0.079 0.000 1.171 186 G CA 0.895 46.058 45.100 0.104 0.000 0.775 186 G HN 0.356 nan 8.290 nan 0.000 0.543 187 R N 0.707 121.233 120.500 0.045 0.000 2.083 187 R HA -0.050 4.290 4.340 -0.000 0.000 0.237 187 R C 2.772 179.122 176.300 0.082 0.000 1.137 187 R CA 1.770 57.916 56.100 0.078 0.000 0.951 187 R CB -0.504 29.814 30.300 0.030 0.000 0.851 187 R HN 0.270 nan 8.270 nan 0.000 0.434 188 A N 0.471 123.297 122.820 0.011 0.000 1.902 188 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 188 A C 2.337 179.902 177.584 -0.032 0.000 1.181 188 A CA 1.654 53.671 52.037 -0.034 0.000 0.623 188 A CB -0.633 18.299 19.000 -0.113 0.000 0.818 188 A HN 0.246 nan 8.150 nan 0.000 0.443 189 V N -1.054 118.844 119.914 -0.027 0.000 2.287 189 V HA -0.313 3.807 4.120 -0.000 0.000 0.248 189 V C 2.401 178.532 176.094 0.062 0.000 1.053 189 V CA 2.290 64.596 62.300 0.008 0.000 1.027 189 V CB -1.077 30.728 31.823 -0.029 0.000 0.646 189 V HN 0.756 nan 8.190 nan 0.000 0.447 190 Y N 1.449 121.744 120.300 -0.009 0.000 2.128 190 Y HA -0.218 4.332 4.550 0.000 0.000 0.284 190 Y C 2.563 178.465 175.900 0.004 0.000 1.154 190 Y CA 2.032 60.136 58.100 0.006 0.000 1.149 190 Y CB -0.298 38.173 38.460 0.018 0.000 0.976 190 Y HN 0.291 nan 8.280 nan 0.000 0.505 191 E N -0.419 119.612 120.200 -0.281 0.000 2.072 191 E HA -0.187 4.163 4.350 -0.000 0.000 0.191 191 E C 2.500 178.949 176.600 -0.252 0.000 0.985 191 E CA 1.303 57.467 56.400 -0.394 0.000 0.801 191 E CB -0.933 28.668 29.700 -0.166 0.000 0.750 191 E HN 0.545 nan 8.360 nan 0.000 0.452 192 C N 1.031 120.249 119.300 -0.138 0.000 2.413 192 C HA -0.131 4.329 4.460 -0.000 0.000 0.277 192 C C 2.887 177.818 174.990 -0.099 0.000 1.228 192 C CA 0.615 59.577 59.018 -0.093 0.000 1.731 192 C CB -1.224 26.489 27.740 -0.045 0.000 2.042 192 C HN 0.358 nan 8.230 nan 0.000 0.468 193 L N 0.994 122.166 121.223 -0.084 0.000 2.141 193 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 193 L C 2.840 179.655 176.870 -0.091 0.000 1.094 193 L CA 1.651 56.457 54.840 -0.057 0.000 0.763 193 L CB -0.697 41.363 42.059 0.002 0.000 0.908 193 L HN 0.490 nan 8.230 nan 0.000 0.437 194 R N 0.377 120.767 120.500 -0.184 0.000 2.235 194 R HA -0.028 4.312 4.340 -0.000 0.000 0.213 194 R C 1.825 178.047 176.300 -0.130 0.000 1.059 194 R CA 1.123 57.117 56.100 -0.177 0.000 0.997 194 R CB -0.481 29.593 30.300 -0.378 0.000 0.884 194 R HN 0.220 nan 8.270 nan 0.000 0.462 195 G N -0.496 108.224 108.800 -0.132 0.000 2.880 195 G HA2 0.255 4.215 3.960 -0.000 0.000 0.209 195 G HA3 0.255 4.215 3.960 -0.000 0.000 0.209 195 G C 0.851 175.706 174.900 -0.074 0.000 1.157 195 G CA 0.242 45.283 45.100 -0.099 0.000 0.779 195 G HN 0.560 nan 8.290 nan 0.000 0.539 196 G N -0.713 108.045 108.800 -0.069 0.000 2.273 196 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.162 196 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.162 196 G C 0.260 175.120 174.900 -0.066 0.000 1.006 196 G CA -0.352 44.714 45.100 -0.058 0.000 0.704 196 G HN 0.325 nan 8.290 nan 0.000 0.487 197 L N 1.154 122.337 121.223 -0.066 0.000 2.436 197 L HA 0.364 4.704 4.340 -0.000 0.000 0.265 197 L C 1.088 177.892 176.870 -0.110 0.000 1.168 197 L CA -0.544 54.258 54.840 -0.063 0.000 0.815 197 L CB 0.530 42.572 42.059 -0.029 0.000 1.109 197 L HN 0.020 nan 8.230 nan 0.000 0.462 198 D N 1.039 121.319 120.400 -0.200 0.000 2.183 198 D HA 0.057 4.697 4.640 -0.000 0.000 0.205 198 D C -0.152 175.898 176.300 -0.417 0.000 0.962 198 D CA 1.400 55.153 54.000 -0.413 0.000 0.849 198 D CB 0.360 40.720 40.800 -0.733 0.000 0.978 198 D HN 0.143 nan 8.370 nan 0.000 0.488 199 F N 0.282 120.220 119.950 -0.019 0.000 2.588 199 F HA 0.316 4.843 4.527 -0.000 0.000 0.314 199 F C 0.674 176.356 175.800 -0.198 0.000 1.069 199 F CA -1.086 56.856 58.000 -0.097 0.000 0.931 199 F CB 1.757 40.700 39.000 -0.095 0.000 1.260 199 F HN -0.327 nan 8.300 nan 0.000 0.465 203 D N 1.085 121.612 120.400 0.212 0.000 2.400 203 D HA -0.038 4.602 4.640 -0.000 0.000 0.238 203 D C 1.438 177.727 176.300 -0.018 0.000 1.157 203 D CA 0.073 54.128 54.000 0.092 0.000 0.889 203 D CB 1.162 42.044 40.800 0.138 0.000 1.199 203 D HN 0.425 nan 8.370 nan 0.000 0.436 204 E N 2.601 122.675 120.200 -0.210 0.000 2.160 204 E HA -0.249 4.101 4.350 -0.000 0.000 0.195 204 E C 0.803 177.302 176.600 -0.169 0.000 0.991 204 E CA 1.292 57.456 56.400 -0.395 0.000 0.810 204 E CB -0.317 28.782 29.700 -1.001 0.000 0.742 204 E HN 0.514 nan 8.360 nan 0.000 0.466 205 N N 0.903 119.560 118.700 -0.073 0.000 2.325 205 N HA -0.008 4.732 4.740 -0.000 0.000 0.182 205 N C 0.342 175.893 175.510 0.068 0.000 1.088 205 N CA 0.030 53.077 53.050 -0.005 0.000 0.879 205 N CB -0.184 38.311 38.487 0.013 0.000 0.983 205 N HN -0.058 nan 8.380 nan 0.000 0.471 206 V N 2.259 122.235 119.914 0.103 0.000 2.416 206 V HA 0.029 4.149 4.120 -0.000 0.000 0.267 206 V C 0.392 176.531 176.094 0.076 0.000 1.007 206 V CA 0.283 62.658 62.300 0.127 0.000 1.102 206 V CB -1.167 30.739 31.823 0.139 0.000 1.035 206 V HN 0.341 nan 8.190 nan 0.000 0.473 207 N N 2.617 121.344 118.700 0.045 0.000 2.477 207 N HA 0.249 4.989 4.740 -0.000 0.000 0.167 207 N C -0.201 175.333 175.510 0.040 0.000 1.351 207 N CA -0.478 52.595 53.050 0.038 0.000 1.087 207 N CB 0.477 38.965 38.487 0.003 0.000 1.263 207 N HN 0.494 nan 8.380 nan 0.000 0.408 208 S N 0.101 115.803 115.700 0.005 0.000 2.561 208 S HA 0.484 4.954 4.470 -0.000 0.000 0.303 208 S C -1.551 172.973 174.600 -0.126 0.000 1.110 208 S CA -0.390 57.808 58.200 -0.004 0.000 1.034 208 S CB 1.187 64.493 63.200 0.175 0.000 1.010 208 S HN 0.253 nan 8.310 nan 0.000 0.482 209 Q N 3.116 122.725 119.800 -0.320 0.000 2.553 209 Q HA 0.462 4.802 4.340 -0.000 0.000 0.293 209 Q C -2.083 173.682 176.000 -0.393 0.000 1.038 209 Q CA -1.722 53.844 55.803 -0.396 0.000 0.777 209 Q CB 1.579 29.907 28.738 -0.683 0.000 1.487 209 Q HN 0.249 nan 8.270 nan 0.000 0.426 210 P HA -0.166 nan 4.420 nan 0.000 0.217 210 P C 0.514 177.789 177.300 -0.041 0.000 1.148 210 P CA 1.350 64.407 63.100 -0.071 0.000 0.828 210 P CB 0.030 31.748 31.700 0.030 0.000 0.783 211 F N -2.628 117.331 119.950 0.014 0.000 2.661 211 F HA 0.318 4.845 4.527 0.000 0.000 0.298 211 F C 0.931 176.740 175.800 0.015 0.000 1.137 211 F CA -0.059 57.951 58.000 0.017 0.000 1.454 211 F CB -0.470 38.546 39.000 0.026 0.000 1.103 211 F HN -0.199 nan 8.300 nan 0.000 0.577 212 M N 1.318 120.662 119.600 -0.426 0.000 2.437 212 M HA 0.310 4.790 4.480 -0.000 0.000 0.203 212 M C -1.511 174.613 176.300 -0.293 0.000 0.957 212 M CA -0.480 54.676 55.300 -0.241 0.000 0.872 212 M CB 0.947 33.469 32.600 -0.129 0.000 2.556 212 M HN -0.174 nan 8.290 nan 0.000 0.428 213 R N 3.413 123.803 120.500 -0.184 0.000 2.531 213 R HA 0.320 4.660 4.340 -0.000 0.000 0.273 213 R C 1.038 177.239 176.300 -0.165 0.000 1.070 213 R CA -0.157 55.833 56.100 -0.183 0.000 1.112 213 R CB 0.557 30.725 30.300 -0.220 0.000 1.049 213 R HN 0.971 nan 8.270 nan 0.000 0.508 214 W N 3.368 124.544 121.300 -0.206 0.000 2.381 214 W HA -0.108 4.552 4.660 -0.000 0.000 0.301 214 W C 1.233 177.543 176.519 -0.348 0.000 1.205 214 W CA 0.601 57.792 57.345 -0.258 0.000 1.285 214 W CB -0.441 28.807 29.460 -0.354 0.000 1.133 214 W HN 0.572 nan 8.180 nan 0.000 0.521 215 R N 1.127 120.814 120.500 -1.355 0.000 2.092 215 R HA -0.138 4.202 4.340 -0.000 0.000 0.231 215 R C 1.883 177.932 176.300 -0.418 0.000 1.119 215 R CA 2.060 57.400 56.100 -1.268 0.000 0.970 215 R CB -0.426 28.831 30.300 -1.739 0.000 0.864 215 R HN -0.048 nan 8.270 nan 0.000 0.440 216 D N 0.137 120.351 120.400 -0.310 0.000 2.104 216 D HA -0.222 4.418 4.640 -0.000 0.000 0.194 216 D C 1.879 178.280 176.300 0.168 0.000 0.994 216 D CA 1.163 55.129 54.000 -0.057 0.000 0.830 216 D CB -0.249 40.564 40.800 0.021 0.000 0.959 216 D HN 0.275 nan 8.370 nan 0.000 0.452 217 R N -0.162 120.449 120.500 0.184 0.000 2.070 217 R HA -0.154 4.186 4.340 -0.000 0.000 0.233 217 R C 2.336 178.892 176.300 0.428 0.000 1.137 217 R CA 1.065 57.341 56.100 0.293 0.000 0.945 217 R CB -0.344 30.069 30.300 0.187 0.000 0.845 217 R HN 0.024 nan 8.270 nan 0.000 0.430 218 F N 1.207 121.282 119.950 0.208 0.000 2.087 218 F HA -0.256 4.271 4.527 0.000 0.000 0.299 218 F C 2.299 178.184 175.800 0.142 0.000 1.100 218 F CA 1.228 59.367 58.000 0.231 0.000 1.226 218 F CB -1.022 38.229 39.000 0.418 0.000 0.983 218 F HN 0.127 nan 8.300 nan 0.000 0.479 219 L N -1.529 119.899 121.223 0.342 0.000 2.027 219 L HA -0.218 4.122 4.340 -0.000 0.000 0.206 219 L C 2.361 179.235 176.870 0.007 0.000 1.074 219 L CA 1.371 56.283 54.840 0.119 0.000 0.745 219 L CB -0.480 41.572 42.059 -0.012 0.000 0.898 219 L HN -0.048 nan 8.230 nan 0.000 0.433 220 F N -0.634 119.384 119.950 0.114 0.000 2.186 220 F HA -0.185 4.342 4.527 0.000 0.000 0.299 220 F C 2.622 178.445 175.800 0.038 0.000 1.090 220 F CA 1.182 59.225 58.000 0.073 0.000 1.307 220 F CB -1.098 37.947 39.000 0.075 0.000 1.019 220 F HN 0.198 nan 8.300 nan 0.000 0.489 221 C N -0.270 119.142 119.300 0.186 0.000 2.440 221 C HA -0.099 4.361 4.460 -0.000 0.000 0.278 221 C C 3.119 178.076 174.990 -0.054 0.000 1.295 221 C CA 0.874 59.882 59.018 -0.017 0.000 1.738 221 C CB -1.536 26.072 27.740 -0.220 0.000 1.987 221 C HN 0.516 nan 8.230 nan 0.000 0.492 222 A N 0.513 123.313 122.820 -0.033 0.000 1.865 222 A HA -0.281 4.039 4.320 -0.000 0.000 0.217 222 A C 2.149 179.720 177.584 -0.021 0.000 1.191 222 A CA 2.133 54.101 52.037 -0.115 0.000 0.623 222 A CB -0.788 18.198 19.000 -0.022 0.000 0.826 222 A HN 0.723 nan 8.150 nan 0.000 0.444 223 E N -0.213 120.043 120.200 0.093 0.000 2.085 223 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 223 E C 2.135 178.799 176.600 0.105 0.000 0.994 223 E CA 1.202 57.684 56.400 0.138 0.000 0.801 223 E CB -0.281 29.500 29.700 0.134 0.000 0.743 223 E HN 0.532 nan 8.360 nan 0.000 0.453 224 A N 1.252 124.124 122.820 0.087 0.000 1.873 224 A HA -0.155 4.165 4.320 -0.000 0.000 0.215 224 A C 2.237 179.890 177.584 0.115 0.000 1.186 224 A CA 1.609 53.706 52.037 0.100 0.000 0.616 224 A CB -0.780 18.295 19.000 0.125 0.000 0.823 224 A HN 0.417 nan 8.150 nan 0.000 0.442 225 L N -2.997 118.231 121.223 0.008 0.000 2.083 225 L HA -0.097 4.243 4.340 -0.000 0.000 0.209 225 L C 2.230 179.104 176.870 0.006 0.000 1.083 225 L CA 1.905 56.729 54.840 -0.028 0.000 0.752 225 L CB -1.301 40.680 42.059 -0.131 0.000 0.899 225 L HN 0.263 nan 8.230 nan 0.000 0.433 226 Y N 0.645 120.989 120.300 0.072 0.000 2.293 226 Y HA -0.104 4.446 4.550 -0.000 0.000 0.291 226 Y C 2.763 178.697 175.900 0.056 0.000 1.137 226 Y CA 1.411 59.543 58.100 0.053 0.000 1.202 226 Y CB -0.631 37.848 38.460 0.031 0.000 0.990 226 Y HN 0.338 nan 8.280 nan 0.000 0.537 227 K N 0.087 120.603 120.400 0.194 0.000 2.103 227 K HA -0.093 4.227 4.320 -0.000 0.000 0.204 227 K C 2.250 178.983 176.600 0.221 0.000 1.052 227 K CA 0.986 57.345 56.287 0.119 0.000 0.945 227 K CB -0.157 32.296 32.500 -0.079 0.000 0.722 227 K HN 0.212 nan 8.250 nan 0.000 0.443 228 A N 1.127 124.130 122.820 0.306 0.000 1.898 228 A HA -0.211 4.109 4.320 -0.000 0.000 0.216 228 A C 2.078 179.752 177.584 0.150 0.000 1.181 228 A CA 1.500 53.696 52.037 0.265 0.000 0.620 228 A CB -0.608 18.505 19.000 0.189 0.000 0.819 228 A HN 0.526 nan 8.150 nan 0.000 0.442 229 Q N -0.482 119.402 119.800 0.139 0.000 2.096 229 Q HA -0.180 4.160 4.340 -0.000 0.000 0.204 229 Q C 2.136 178.198 176.000 0.104 0.000 0.982 229 Q CA 1.857 57.729 55.803 0.115 0.000 0.850 229 Q CB -0.339 28.491 28.738 0.153 0.000 0.901 229 Q HN 0.616 nan 8.270 nan 0.000 0.422 230 A N 0.382 123.272 122.820 0.116 0.000 1.968 230 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 230 A C 1.853 179.483 177.584 0.077 0.000 1.169 230 A CA 1.445 53.532 52.037 0.083 0.000 0.638 230 A CB -0.538 18.506 19.000 0.073 0.000 0.812 230 A HN 0.605 nan 8.150 nan 0.000 0.446 231 E N -0.217 120.044 120.200 0.101 0.000 2.072 231 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 231 E C 2.051 178.690 176.600 0.065 0.000 0.985 231 E CA 1.812 58.268 56.400 0.094 0.000 0.801 231 E CB -0.067 29.723 29.700 0.149 0.000 0.750 231 E HN 0.726 nan 8.360 nan 0.000 0.452 232 T N -3.761 110.828 114.554 0.059 0.000 3.009 232 T HA 0.207 4.557 4.350 -0.000 0.000 0.258 232 T C 1.586 176.303 174.700 0.028 0.000 1.063 232 T CA 0.732 62.852 62.100 0.034 0.000 1.139 232 T CB 0.344 69.224 68.868 0.019 0.000 0.890 232 T HN 0.339 nan 8.240 nan 0.000 0.471 233 G N 1.199 110.020 108.800 0.035 0.000 2.143 233 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.249 233 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.249 233 G C -0.282 174.630 174.900 0.020 0.000 0.981 233 G CA 0.152 45.269 45.100 0.028 0.000 0.665 233 G HN 0.682 nan 8.290 nan 0.000 0.528 234 E N -0.574 119.634 120.200 0.015 0.000 2.227 234 E HA 0.602 4.952 4.350 -0.000 0.000 0.268 234 E C 0.238 176.837 176.600 -0.001 0.000 0.907 234 E CA -1.115 55.282 56.400 -0.004 0.000 0.786 234 E CB 1.838 31.522 29.700 -0.027 0.000 1.191 234 E HN 0.272 nan 8.360 nan 0.000 0.411 235 I N 2.744 123.307 120.570 -0.012 0.000 2.648 235 I HA 0.017 4.187 4.170 -0.000 0.000 0.284 235 I C 0.332 176.437 176.117 -0.020 0.000 1.153 235 I CA 0.357 61.661 61.300 0.005 0.000 1.426 235 I CB 0.164 38.166 38.000 0.003 0.000 1.381 235 I HN 0.150 nan 8.210 nan 0.000 0.571 236 K N 4.219 124.633 120.400 0.023 0.000 2.340 236 K HA 0.755 5.075 4.320 -0.000 0.000 0.244 236 K C -0.301 176.355 176.600 0.093 0.000 0.973 236 K CA -0.703 55.593 56.287 0.016 0.000 0.828 236 K CB 2.172 34.689 32.500 0.028 0.000 1.226 236 K HN 0.771 nan 8.250 nan 0.000 0.437 237 G N 0.301 109.230 108.800 0.214 0.000 2.659 237 G HA2 0.393 4.353 3.960 -0.000 0.000 0.296 237 G HA3 0.393 4.353 3.960 -0.000 0.000 0.296 237 G C -1.765 173.318 174.900 0.305 0.000 1.369 237 G CA -0.250 45.046 45.100 0.327 0.000 0.937 237 G HN 0.549 nan 8.290 nan 0.000 0.485 238 H N 0.986 120.109 119.070 0.089 0.000 2.744 238 H HA 0.342 4.898 4.556 -0.000 0.000 0.339 238 H C -1.123 174.216 175.328 0.018 0.000 1.004 238 H CA -0.576 55.468 56.048 -0.006 0.000 1.257 238 H CB 1.331 31.079 29.762 -0.024 0.000 1.552 238 H HN 0.363 nan 8.280 nan 0.000 0.522 239 Y N 5.630 125.565 120.300 -0.609 0.000 2.584 239 Y HA 0.147 4.697 4.550 -0.000 0.000 0.351 239 Y C 0.578 176.280 175.900 -0.330 0.000 1.030 239 Y CA -0.776 57.073 58.100 -0.417 0.000 1.332 239 Y CB -0.376 37.824 38.460 -0.434 0.000 1.148 239 Y HN 0.337 nan 8.280 nan 0.000 0.528 240 L N 3.901 125.074 121.223 -0.083 0.000 2.331 240 L HA 0.238 4.578 4.340 -0.000 0.000 0.278 240 L C 0.551 177.367 176.870 -0.090 0.000 1.106 240 L CA -0.104 54.592 54.840 -0.241 0.000 0.824 240 L CB 0.577 42.109 42.059 -0.879 0.000 1.142 240 L HN 0.642 nan 8.230 nan 0.000 0.443 241 N N 1.566 120.324 118.700 0.095 0.000 2.434 241 N HA 0.341 5.081 4.740 -0.000 0.000 0.272 241 N C 0.386 176.024 175.510 0.214 0.000 1.040 241 N CA -0.124 53.019 53.050 0.154 0.000 0.956 241 N CB 1.377 39.948 38.487 0.139 0.000 1.108 241 N HN 0.775 nan 8.380 nan 0.000 0.481 242 A N 2.494 125.399 122.820 0.141 0.000 2.348 242 A HA 0.124 4.444 4.320 -0.000 0.000 0.224 242 A C 0.564 178.177 177.584 0.048 0.000 1.227 242 A CA -0.091 51.983 52.037 0.061 0.000 0.885 242 A CB -0.009 18.995 19.000 0.007 0.000 0.933 242 A HN 0.624 nan 8.150 nan 0.000 0.506 243 T N 1.742 116.378 114.554 0.137 0.000 2.933 243 T HA 0.429 4.779 4.350 -0.000 0.000 0.306 243 T C 0.251 174.953 174.700 0.003 0.000 1.045 243 T CA 1.000 63.172 62.100 0.119 0.000 1.143 243 T CB 0.614 69.493 68.868 0.017 0.000 1.003 243 T HN 0.955 nan 8.240 nan 0.000 0.540 244 A N 2.145 124.961 122.820 -0.007 0.000 2.467 244 A HA 0.770 5.090 4.320 -0.000 0.000 0.301 244 A C 1.151 178.711 177.584 -0.039 0.000 1.126 244 A CA -0.257 51.744 52.037 -0.060 0.000 0.632 244 A CB 0.295 19.216 19.000 -0.132 0.000 1.331 244 A HN 0.771 nan 8.150 nan 0.000 0.482 245 G N -0.897 107.874 108.800 -0.048 0.000 2.494 245 G HA2 0.388 4.348 3.960 -0.000 0.000 0.216 245 G HA3 0.388 4.348 3.960 -0.000 0.000 0.216 245 G C 0.666 175.548 174.900 -0.030 0.000 1.140 245 G CA 1.760 46.840 45.100 -0.033 0.000 0.801 245 G HN 1.663 nan 8.290 nan 0.000 0.536 246 T N -3.931 110.599 114.554 -0.041 0.000 2.901 246 T HA 0.315 4.665 4.350 -0.000 0.000 0.293 246 T C 0.898 175.566 174.700 -0.054 0.000 1.084 246 T CA -0.303 61.774 62.100 -0.039 0.000 1.008 246 T CB 1.434 70.279 68.868 -0.039 0.000 1.170 246 T HN -0.081 nan 8.240 nan 0.000 0.509 247 C N 0.599 119.870 119.300 -0.048 0.000 2.425 247 C HA -0.007 4.453 4.460 -0.000 0.000 0.277 247 C C 2.632 177.569 174.990 -0.089 0.000 1.280 247 C CA 0.813 59.790 59.018 -0.068 0.000 1.744 247 C CB -1.358 26.350 27.740 -0.052 0.000 1.989 247 C HN 1.019 nan 8.230 nan 0.000 0.491 248 E N 1.493 121.650 120.200 -0.072 0.000 2.058 248 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 248 E C 1.607 178.142 176.600 -0.108 0.000 0.997 248 E CA 1.584 57.938 56.400 -0.076 0.000 0.801 248 E CB -0.366 29.305 29.700 -0.049 0.000 0.746 248 E HN 0.555 nan 8.360 nan 0.000 0.450 249 D N -0.188 120.143 120.400 -0.115 0.000 2.097 249 D HA -0.139 4.501 4.640 -0.000 0.000 0.197 249 D C 1.850 177.993 176.300 -0.262 0.000 0.984 249 D CA 0.889 54.785 54.000 -0.173 0.000 0.826 249 D CB -0.272 40.440 40.800 -0.147 0.000 0.973 249 D HN 0.136 nan 8.370 nan 0.000 0.460 250 M N -0.256 119.220 119.600 -0.207 0.000 2.082 250 M HA -0.216 4.264 4.480 -0.000 0.000 0.258 250 M C 1.744 177.889 176.300 -0.258 0.000 1.069 250 M CA 1.399 56.569 55.300 -0.217 0.000 1.102 250 M CB 0.009 32.514 32.600 -0.159 0.000 1.336 250 M HN -0.058 nan 8.290 nan 0.000 0.404 251 M N 0.330 119.785 119.600 -0.241 0.000 2.117 251 M HA -0.196 4.284 4.480 -0.000 0.000 0.262 251 M C 1.926 178.063 176.300 -0.272 0.000 1.065 251 M CA 1.803 56.926 55.300 -0.296 0.000 1.114 251 M CB -1.284 31.176 32.600 -0.234 0.000 1.361 251 M HN 0.299 nan 8.290 nan 0.000 0.408 252 K N -0.212 120.058 120.400 -0.216 0.000 2.103 252 K HA -0.145 4.175 4.320 -0.000 0.000 0.207 252 K C 2.095 178.575 176.600 -0.201 0.000 1.048 252 K CA 1.198 57.397 56.287 -0.148 0.000 0.930 252 K CB -0.117 32.325 32.500 -0.098 0.000 0.716 252 K HN 0.398 nan 8.250 nan 0.000 0.444 253 R N 0.085 120.306 120.500 -0.464 0.000 2.090 253 R HA 0.012 4.352 4.340 -0.000 0.000 0.228 253 R C 2.379 178.729 176.300 0.082 0.000 1.110 253 R CA 1.004 56.828 56.100 -0.461 0.000 0.973 253 R CB -0.277 29.611 30.300 -0.685 0.000 0.869 253 R HN 0.135 nan 8.270 nan 0.000 0.440 254 A N 1.241 124.023 122.820 -0.063 0.000 1.898 254 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 254 A C 2.403 180.018 177.584 0.051 0.000 1.181 254 A CA 1.175 53.192 52.037 -0.033 0.000 0.620 254 A CB -0.527 18.298 19.000 -0.291 0.000 0.819 254 A HN 0.083 nan 8.150 nan 0.000 0.442 255 V N -1.232 118.653 119.914 -0.048 0.000 2.332 255 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 255 V C 2.289 178.563 176.094 0.300 0.000 1.055 255 V CA 2.301 64.687 62.300 0.143 0.000 1.038 255 V CB -0.881 30.994 31.823 0.086 0.000 0.651 255 V HN 0.643 nan 8.190 nan 0.000 0.450 256 F N 1.137 121.222 119.950 0.225 0.000 2.293 256 F HA 0.112 4.639 4.527 0.000 0.000 0.297 256 F C 2.221 178.226 175.800 0.341 0.000 1.089 256 F CA 0.681 58.864 58.000 0.305 0.000 1.377 256 F CB -0.593 38.662 39.000 0.424 0.000 1.051 256 F HN 0.060 nan 8.300 nan 0.000 0.511 257 A N 1.003 124.001 122.820 0.297 0.000 1.908 257 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 257 A C 2.468 180.083 177.584 0.051 0.000 1.181 257 A CA 1.533 53.629 52.037 0.098 0.000 0.627 257 A CB -0.787 18.274 19.000 0.102 0.000 0.818 257 A HN 0.301 nan 8.150 nan 0.000 0.445 258 R N 0.004 120.585 120.500 0.135 0.000 2.094 258 R HA -0.194 4.146 4.340 -0.000 0.000 0.239 258 R C 2.153 178.501 176.300 0.080 0.000 1.137 258 R CA 2.116 58.295 56.100 0.132 0.000 0.943 258 R CB -0.745 29.692 30.300 0.227 0.000 0.850 258 R HN 0.788 nan 8.270 nan 0.000 0.433 259 E N 0.234 120.482 120.200 0.081 0.000 2.130 259 E HA -0.189 4.161 4.350 -0.000 0.000 0.196 259 E C 2.018 178.600 176.600 -0.031 0.000 0.998 259 E CA 1.212 57.644 56.400 0.052 0.000 0.806 259 E CB -0.094 29.690 29.700 0.139 0.000 0.738 259 E HN 0.350 nan 8.360 nan 0.000 0.459 260 L N -0.634 120.504 121.223 -0.142 0.000 2.478 260 L HA 0.070 4.410 4.340 -0.000 0.000 0.223 260 L C 1.543 178.453 176.870 0.067 0.000 1.140 260 L CA 0.532 55.317 54.840 -0.092 0.000 0.842 260 L CB -0.039 41.891 42.059 -0.215 0.000 0.953 260 L HN 0.414 nan 8.230 nan 0.000 0.452 261 G N 0.642 109.478 108.800 0.060 0.000 2.147 261 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.244 261 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.244 261 G C 0.299 175.285 174.900 0.143 0.000 1.005 261 G CA 0.251 45.413 45.100 0.104 0.000 0.713 261 G HN 0.264 nan 8.290 nan 0.000 0.515 262 V N -2.768 117.193 119.914 0.078 0.000 3.170 262 V HA 0.823 4.943 4.120 -0.000 0.000 0.309 262 V C -0.269 175.843 176.094 0.030 0.000 1.071 262 V CA -0.944 61.374 62.300 0.031 0.000 1.063 262 V CB 1.392 33.179 31.823 -0.060 0.000 1.123 262 V HN 0.018 nan 8.190 nan 0.000 0.464 263 P HA 0.345 nan 4.420 nan 0.000 0.234 263 P C 0.051 177.343 177.300 -0.014 0.000 1.175 263 P CA 0.642 63.756 63.100 0.022 0.000 0.801 263 P CB 0.713 32.452 31.700 0.065 0.000 0.891 264 I N 0.122 120.681 120.570 -0.018 0.000 2.692 264 I HA 0.311 4.481 4.170 -0.000 0.000 0.293 264 I C -1.039 175.028 176.117 -0.084 0.000 1.200 264 I CA -1.286 59.960 61.300 -0.090 0.000 1.036 264 I CB 2.508 40.406 38.000 -0.171 0.000 1.258 264 I HN -0.296 nan 8.210 nan 0.000 0.421 265 V N 4.530 124.384 119.914 -0.101 0.000 3.166 265 V HA 0.744 4.864 4.120 -0.000 0.000 0.317 265 V C -0.436 175.613 176.094 -0.075 0.000 1.136 265 V CA -0.757 61.502 62.300 -0.068 0.000 1.035 265 V CB 1.859 33.672 31.823 -0.016 0.000 1.110 265 V HN 0.910 nan 8.190 nan 0.000 0.450 266 M N 0.926 120.534 119.600 0.013 0.000 2.631 266 M HA 0.813 5.293 4.480 -0.000 0.000 0.288 266 M C -1.232 175.169 176.300 0.168 0.000 1.260 266 M CA -0.523 54.830 55.300 0.089 0.000 0.842 266 M CB 2.243 34.945 32.600 0.170 0.000 1.743 266 M HN 1.006 nan 8.290 nan 0.000 0.461 267 H N -0.365 118.741 119.070 0.061 0.000 2.954 267 H HA 0.447 5.003 4.556 -0.000 0.000 0.361 267 H C -2.043 173.343 175.328 0.097 0.000 1.122 267 H CA -0.514 55.562 56.048 0.047 0.000 1.217 267 H CB 1.775 31.547 29.762 0.016 0.000 1.776 267 H HN 0.777 nan 8.280 nan 0.000 0.533 268 D N 4.971 125.159 120.400 -0.353 0.000 2.441 268 D HA 0.015 4.655 4.640 -0.000 0.000 0.221 268 D C 0.710 176.700 176.300 -0.518 0.000 1.156 268 D CA -0.163 53.674 54.000 -0.272 0.000 0.896 268 D CB -0.057 40.623 40.800 -0.201 0.000 1.028 268 D HN 0.627 nan 8.370 nan 0.000 0.509 269 Y N 1.018 121.063 120.300 -0.425 0.000 2.373 269 Y HA 0.013 4.563 4.550 -0.000 0.000 0.293 269 Y C 1.370 177.014 175.900 -0.426 0.000 1.129 269 Y CA 0.722 58.594 58.100 -0.380 0.000 1.226 269 Y CB -0.400 37.933 38.460 -0.212 0.000 1.000 269 Y HN 0.210 nan 8.280 nan 0.000 0.549 270 L N 0.494 121.226 121.223 -0.819 0.000 2.162 270 L HA -0.047 4.293 4.340 -0.000 0.000 0.205 270 L C 2.620 179.270 176.870 -0.366 0.000 1.086 270 L CA 1.482 55.899 54.840 -0.705 0.000 0.778 270 L CB -0.798 40.860 42.059 -0.668 0.000 0.928 270 L HN 0.415 nan 8.230 nan 0.000 0.446 271 T N -3.139 111.245 114.554 -0.284 0.000 2.896 271 T HA -0.034 4.316 4.350 -0.000 0.000 0.263 271 T C 1.961 176.563 174.700 -0.164 0.000 1.050 271 T CA 0.875 62.864 62.100 -0.186 0.000 1.140 271 T CB -0.773 68.011 68.868 -0.141 0.000 0.877 271 T HN 0.322 nan 8.240 nan 0.000 0.457 272 G N 1.564 110.231 108.800 -0.222 0.000 2.402 272 G HA2 0.384 4.344 3.960 -0.000 0.000 0.216 272 G HA3 0.384 4.344 3.960 -0.000 0.000 0.216 272 G C 0.900 175.778 174.900 -0.036 0.000 1.162 272 G CA 0.328 45.372 45.100 -0.094 0.000 0.777 272 G HN 1.271 nan 8.290 nan 0.000 0.539 273 G N -2.108 106.622 108.800 -0.117 0.000 2.619 273 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.686 273 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.686 273 G C 0.113 174.991 174.900 -0.037 0.000 1.256 273 G CA -0.127 44.907 45.100 -0.110 0.000 0.826 273 G HN 0.083 nan 8.290 nan 0.000 0.619 274 F N 0.641 120.644 119.950 0.088 0.000 2.163 274 F HA 0.039 4.566 4.527 -0.000 0.000 0.297 274 F C 3.153 178.980 175.800 0.044 0.000 1.094 274 F CA 2.265 60.316 58.000 0.087 0.000 1.290 274 F CB -0.710 38.317 39.000 0.044 0.000 1.017 274 F HN 0.577 nan 8.300 nan 0.000 0.483 275 T N 0.123 114.800 114.554 0.204 0.000 2.607 275 T HA -0.285 4.065 4.350 -0.000 0.000 0.267 275 T C 2.298 177.025 174.700 0.046 0.000 1.049 275 T CA 1.742 63.900 62.100 0.097 0.000 1.162 275 T CB -0.866 68.046 68.868 0.072 0.000 0.863 275 T HN 0.280 nan 8.240 nan 0.000 0.424 276 A N 1.955 124.802 122.820 0.045 0.000 1.940 276 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 276 A C 2.257 179.807 177.584 -0.056 0.000 1.176 276 A CA 1.841 53.876 52.037 -0.003 0.000 0.631 276 A CB -0.832 18.187 19.000 0.033 0.000 0.814 276 A HN 0.591 nan 8.150 nan 0.000 0.446 277 N N -0.686 118.049 118.700 0.058 0.000 2.244 277 N HA -0.126 4.614 4.740 -0.000 0.000 0.183 277 N C 1.512 176.993 175.510 -0.047 0.000 1.016 277 N CA 1.863 54.929 53.050 0.026 0.000 0.866 277 N CB -0.104 38.529 38.487 0.243 0.000 0.980 277 N HN 0.449 nan 8.380 nan 0.000 0.430 278 T N -0.165 114.365 114.554 -0.041 0.000 2.737 278 T HA -0.065 4.285 4.350 -0.000 0.000 0.265 278 T C 1.833 176.290 174.700 -0.405 0.000 1.038 278 T CA 1.538 63.515 62.100 -0.206 0.000 1.144 278 T CB -0.660 68.114 68.868 -0.156 0.000 0.866 278 T HN 0.266 nan 8.240 nan 0.000 0.434 279 T N 2.415 116.825 114.554 -0.240 0.000 2.653 279 T HA -0.125 4.225 4.350 -0.000 0.000 0.268 279 T C 1.850 176.490 174.700 -0.100 0.000 1.035 279 T CA 1.277 63.282 62.100 -0.159 0.000 1.154 279 T CB -0.469 68.344 68.868 -0.091 0.000 0.862 279 T HN 0.143 nan 8.240 nan 0.000 0.441 280 L N 0.543 121.683 121.223 -0.138 0.000 2.179 280 L HA 0.175 4.515 4.340 -0.000 0.000 0.208 280 L C 2.567 179.436 176.870 -0.001 0.000 1.096 280 L CA 1.507 56.292 54.840 -0.091 0.000 0.779 280 L CB -0.860 41.040 42.059 -0.265 0.000 0.922 280 L HN 0.148 nan 8.230 nan 0.000 0.443 281 S N -1.053 114.615 115.700 -0.052 0.000 2.359 281 S HA -0.255 4.215 4.470 -0.000 0.000 0.224 281 S C 2.077 176.754 174.600 0.127 0.000 1.035 281 S CA 1.563 59.769 58.200 0.010 0.000 1.018 281 S CB -0.407 62.783 63.200 -0.015 0.000 0.876 281 S HN 0.679 nan 8.310 nan 0.000 0.448 282 H N -0.886 118.188 119.070 0.006 0.000 2.387 282 H HA -0.038 4.518 4.556 -0.000 0.000 0.299 282 H C 1.769 177.101 175.328 0.006 0.000 1.090 282 H CA 1.579 57.624 56.048 -0.005 0.000 1.332 282 H CB -1.012 28.753 29.762 0.004 0.000 1.386 282 H HN 0.663 nan 8.280 nan 0.000 0.516 283 Y N 0.436 120.783 120.300 0.078 0.000 2.242 283 Y HA -0.178 4.372 4.550 -0.000 0.000 0.291 283 Y C 2.363 178.280 175.900 0.029 0.000 1.137 283 Y CA 1.088 59.210 58.100 0.036 0.000 1.181 283 Y CB -0.421 38.043 38.460 0.007 0.000 0.989 283 Y HN 0.129 nan 8.280 nan 0.000 0.527 284 C N 0.212 119.579 119.300 0.112 0.000 2.440 284 C HA -0.070 4.390 4.460 -0.000 0.000 0.278 284 C C 2.707 177.681 174.990 -0.026 0.000 1.295 284 C CA 1.200 60.253 59.018 0.060 0.000 1.738 284 C CB -1.139 26.659 27.740 0.097 0.000 1.987 284 C HN 0.563 nan 8.230 nan 0.000 0.492 285 R N 2.114 122.560 120.500 -0.090 0.000 2.070 285 R HA -0.099 4.241 4.340 -0.000 0.000 0.233 285 R C 1.483 177.707 176.300 -0.126 0.000 1.137 285 R CA 2.051 58.046 56.100 -0.176 0.000 0.945 285 R CB -1.002 29.204 30.300 -0.157 0.000 0.845 285 R HN 0.396 nan 8.270 nan 0.000 0.430 286 D N -0.119 120.193 120.400 -0.147 0.000 2.311 286 D HA -0.107 4.533 4.640 -0.000 0.000 0.212 286 D C 0.407 176.580 176.300 -0.211 0.000 0.972 286 D CA 0.969 54.866 54.000 -0.173 0.000 0.887 286 D CB -0.044 40.636 40.800 -0.199 0.000 0.915 286 D HN 0.370 nan 8.370 nan 0.000 0.497 287 N N -1.102 117.453 118.700 -0.242 0.000 2.194 287 N HA 0.134 4.874 4.740 -0.000 0.000 0.231 287 N C 0.821 176.302 175.510 -0.048 0.000 1.247 287 N CA 0.424 53.349 53.050 -0.209 0.000 0.884 287 N CB 1.905 40.129 38.487 -0.439 0.000 1.146 287 N HN 0.093 nan 8.380 nan 0.000 0.516 288 G N 1.521 110.355 108.800 0.057 0.000 2.160 288 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.251 288 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.251 288 G C -0.147 174.783 174.900 0.050 0.000 1.008 288 G CA 0.069 45.235 45.100 0.110 0.000 0.724 288 G HN 0.237 nan 8.290 nan 0.000 0.514 289 L N 0.427 121.737 121.223 0.145 0.000 2.289 289 L HA 0.537 4.877 4.340 -0.000 0.000 0.285 289 L C 1.180 178.113 176.870 0.105 0.000 1.049 289 L CA -1.049 53.837 54.840 0.077 0.000 0.804 289 L CB 1.256 43.374 42.059 0.097 0.000 1.195 289 L HN 0.056 nan 8.230 nan 0.000 0.428 290 L N 3.919 125.105 121.223 -0.061 0.000 2.456 290 L HA 0.095 4.435 4.340 -0.000 0.000 0.272 290 L C -0.286 176.513 176.870 -0.118 0.000 1.189 290 L CA -0.076 54.718 54.840 -0.077 0.000 0.846 290 L CB 0.550 42.490 42.059 -0.199 0.000 1.111 290 L HN 0.395 nan 8.230 nan 0.000 0.475 291 L N 3.444 124.581 121.223 -0.144 0.000 2.353 291 L HA 0.314 4.654 4.340 -0.000 0.000 0.270 291 L C -0.418 176.277 176.870 -0.291 0.000 1.003 291 L CA -0.253 54.489 54.840 -0.163 0.000 0.862 291 L CB 0.825 42.843 42.059 -0.069 0.000 1.221 291 L HN 0.452 nan 8.230 nan 0.000 0.430 292 H N 5.131 123.891 119.070 -0.517 0.000 2.690 292 H HA 0.489 5.045 4.556 -0.000 0.000 0.314 292 H C -0.695 174.526 175.328 -0.179 0.000 1.069 292 H CA -0.340 55.381 56.048 -0.544 0.000 1.436 292 H CB 0.651 29.829 29.762 -0.973 0.000 1.462 292 H HN 0.487 nan 8.280 nan 0.000 0.511 293 I N 5.919 126.210 120.570 -0.465 0.000 2.354 293 I HA 0.114 4.284 4.170 -0.000 0.000 0.292 293 I C 0.164 176.183 176.117 -0.163 0.000 0.989 293 I CA -0.397 60.768 61.300 -0.226 0.000 1.188 293 I CB 0.917 38.754 38.000 -0.271 0.000 1.342 293 I HN 0.744 nan 8.210 nan 0.000 0.457 294 H N 7.581 126.636 119.070 -0.026 0.000 2.463 294 H HA 0.357 4.913 4.556 0.000 0.000 0.332 294 H C 0.186 175.522 175.328 0.013 0.000 1.127 294 H CA -0.517 55.482 56.048 -0.081 0.000 1.238 294 H CB 1.518 31.247 29.762 -0.055 0.000 1.478 294 H HN 0.605 nan 8.280 nan 0.000 0.499 295 R N 3.023 123.334 120.500 -0.315 0.000 2.586 295 R HA 0.435 4.775 4.340 -0.000 0.000 0.306 295 R C 0.083 176.388 176.300 0.009 0.000 1.079 295 R CA -0.471 55.622 56.100 -0.012 0.000 1.083 295 R CB -0.042 30.221 30.300 -0.061 0.000 1.306 295 R HN 0.384 nan 8.270 nan 0.000 0.567 296 A N 1.605 124.518 122.820 0.156 0.000 2.598 296 A HA 0.022 4.342 4.320 -0.000 0.000 0.239 296 A C 0.975 178.562 177.584 0.006 0.000 1.032 296 A CA 0.971 53.102 52.037 0.157 0.000 0.760 296 A CB -0.161 18.940 19.000 0.168 0.000 0.946 296 A HN 0.863 nan 8.150 nan 0.000 0.512 297 M N 0.329 119.913 119.600 -0.027 0.000 3.023 297 M HA -0.291 4.189 4.480 -0.000 0.000 0.214 297 M C 1.024 177.256 176.300 -0.114 0.000 0.575 297 M CA 1.854 57.099 55.300 -0.091 0.000 0.820 297 M CB -1.994 30.541 32.600 -0.107 0.000 2.925 297 M HN 1.271 nan 8.290 nan 0.000 0.297 298 H N -0.832 118.165 119.070 -0.122 0.000 2.387 298 H HA 0.278 4.834 4.556 -0.000 0.000 0.299 298 H C 1.724 177.001 175.328 -0.085 0.000 1.090 298 H CA 1.916 57.912 56.048 -0.087 0.000 1.332 298 H CB -0.528 29.207 29.762 -0.046 0.000 1.386 298 H HN 0.472 nan 8.280 nan 0.000 0.516 299 A N 1.228 123.480 122.820 -0.946 0.000 2.121 299 A HA -0.006 4.314 4.320 -0.000 0.000 0.218 299 A C 2.452 179.868 177.584 -0.281 0.000 1.154 299 A CA 0.996 52.665 52.037 -0.614 0.000 0.679 299 A CB -0.763 17.841 19.000 -0.660 0.000 0.795 299 A HN 0.358 nan 8.150 nan 0.000 0.458 300 V N -0.181 119.604 119.914 -0.215 0.000 2.392 300 V HA -0.286 3.834 4.120 -0.000 0.000 0.249 300 V C 2.257 178.299 176.094 -0.087 0.000 1.059 300 V CA 2.307 64.531 62.300 -0.126 0.000 1.051 300 V CB -0.547 31.212 31.823 -0.107 0.000 0.658 300 V HN 0.629 nan 8.190 nan 0.000 0.455 301 I N 0.480 120.997 120.570 -0.089 0.000 2.628 301 I HA -0.030 4.140 4.170 -0.000 0.000 0.255 301 I C 1.732 177.830 176.117 -0.031 0.000 1.119 301 I CA 1.198 62.463 61.300 -0.057 0.000 1.448 301 I CB -0.099 37.860 38.000 -0.067 0.000 1.133 301 I HN 0.470 nan 8.210 nan 0.000 0.438 302 D N -0.554 119.820 120.400 -0.044 0.000 2.433 302 D HA -0.028 4.612 4.640 -0.000 0.000 0.211 302 D C 1.829 178.100 176.300 -0.049 0.000 1.114 302 D CA -0.040 53.943 54.000 -0.029 0.000 0.837 302 D CB 0.025 40.844 40.800 0.030 0.000 0.984 302 D HN -0.084 nan 8.370 nan 0.000 0.505 303 R N 0.265 120.731 120.500 -0.057 0.000 2.062 303 R HA 0.047 4.387 4.340 -0.000 0.000 0.229 303 R C 0.424 176.729 176.300 0.008 0.000 1.128 303 R CA 1.253 57.327 56.100 -0.044 0.000 0.960 303 R CB -0.167 30.091 30.300 -0.069 0.000 0.855 303 R HN 0.061 nan 8.270 nan 0.000 0.432 304 Q N 0.410 120.229 119.800 0.032 0.000 2.235 304 Q HA 0.078 4.418 4.340 -0.000 0.000 0.250 304 Q C 0.132 176.188 176.000 0.094 0.000 0.909 304 Q CA -0.001 55.839 55.803 0.061 0.000 0.910 304 Q CB 1.596 30.375 28.738 0.068 0.000 1.223 304 Q HN 0.152 nan 8.270 nan 0.000 0.432 305 K N 2.131 122.589 120.400 0.097 0.000 2.217 305 K HA -0.108 4.212 4.320 -0.000 0.000 0.202 305 K C 1.194 177.859 176.600 0.109 0.000 1.051 305 K CA 1.180 57.534 56.287 0.112 0.000 0.952 305 K CB 0.338 32.898 32.500 0.099 0.000 0.736 305 K HN 0.565 nan 8.250 nan 0.000 0.453 306 N N -0.648 118.119 118.700 0.111 0.000 2.416 306 N HA -0.124 4.616 4.740 -0.000 0.000 0.177 306 N C -0.279 175.340 175.510 0.183 0.000 1.036 306 N CA 0.800 53.923 53.050 0.121 0.000 0.901 306 N CB 0.007 38.558 38.487 0.108 0.000 0.976 306 N HN 0.239 nan 8.380 nan 0.000 0.444 307 H N -1.581 117.547 119.070 0.096 0.000 3.026 307 H HA 0.533 5.089 4.556 -0.000 0.000 0.352 307 H C 0.148 175.570 175.328 0.156 0.000 1.090 307 H CA 0.336 56.469 56.048 0.142 0.000 1.268 307 H CB 1.381 31.213 29.762 0.118 0.000 1.816 307 H HN 0.306 nan 8.280 nan 0.000 0.518 308 G N 2.547 111.330 108.800 -0.027 0.000 2.317 308 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.196 308 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.196 308 G C -1.379 173.555 174.900 0.057 0.000 1.255 308 G CA -0.297 44.831 45.100 0.046 0.000 1.243 308 G HN 0.652 nan 8.290 nan 0.000 0.535 309 M N 0.716 120.316 119.600 0.000 0.000 2.322 309 M HA 0.376 4.856 4.480 -0.000 0.000 0.286 309 M C -0.446 175.877 176.300 0.038 0.000 1.111 309 M CA -0.775 54.517 55.300 -0.012 0.000 0.941 309 M CB 2.427 34.937 32.600 -0.148 0.000 1.671 309 M HN 0.756 nan 8.290 nan 0.000 0.470 310 H N 1.954 121.030 119.070 0.010 0.000 2.790 310 H HA 0.072 4.628 4.556 -0.000 0.000 0.358 310 H C 0.172 175.552 175.328 0.086 0.000 1.103 310 H CA 0.794 56.884 56.048 0.070 0.000 1.426 310 H CB 0.877 30.677 29.762 0.063 0.000 1.424 310 H HN 0.791 nan 8.280 nan 0.000 0.599 311 F N 5.101 124.807 119.950 -0.407 0.000 2.202 311 F HA -0.215 4.312 4.527 -0.000 0.000 0.301 311 F C 2.621 178.364 175.800 -0.094 0.000 1.082 311 F CA 1.752 59.611 58.000 -0.234 0.000 1.313 311 F CB -0.149 38.598 39.000 -0.421 0.000 1.024 311 F HN 0.683 nan 8.300 nan 0.000 0.495 312 R N -0.010 120.552 120.500 0.104 0.000 2.091 312 R HA -0.147 4.193 4.340 -0.000 0.000 0.238 312 R C 1.840 178.095 176.300 -0.076 0.000 1.136 312 R CA 2.124 58.209 56.100 -0.027 0.000 0.959 312 R CB -1.563 28.884 30.300 0.245 0.000 0.856 312 R HN 0.278 nan 8.270 nan 0.000 0.437 313 V N 2.084 122.004 119.914 0.010 0.000 2.332 313 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 313 V C 2.553 178.691 176.094 0.073 0.000 1.055 313 V CA 1.792 64.114 62.300 0.036 0.000 1.038 313 V CB -0.482 31.351 31.823 0.016 0.000 0.651 313 V HN 0.306 nan 8.190 nan 0.000 0.450 314 L N -0.027 121.187 121.223 -0.015 0.000 2.141 314 L HA -0.098 4.242 4.340 -0.000 0.000 0.209 314 L C 2.673 179.512 176.870 -0.050 0.000 1.094 314 L CA 1.329 56.244 54.840 0.126 0.000 0.763 314 L CB -0.764 41.369 42.059 0.124 0.000 0.908 314 L HN 0.362 nan 8.230 nan 0.000 0.437 315 A N 0.205 122.706 122.820 -0.531 0.000 1.897 315 A HA -0.158 4.162 4.320 -0.000 0.000 0.215 315 A C 2.332 179.799 177.584 -0.194 0.000 1.181 315 A CA 1.231 52.949 52.037 -0.531 0.000 0.620 315 A CB -0.236 18.260 19.000 -0.840 0.000 0.821 315 A HN 0.258 nan 8.150 nan 0.000 0.443 316 K N -0.171 120.192 120.400 -0.061 0.000 2.097 316 K HA -0.083 4.237 4.320 -0.000 0.000 0.206 316 K C 2.231 178.842 176.600 0.019 0.000 1.049 316 K CA 1.128 57.477 56.287 0.104 0.000 0.933 316 K CB -0.287 32.328 32.500 0.191 0.000 0.717 316 K HN 0.445 nan 8.250 nan 0.000 0.442 317 A N 1.619 124.435 122.820 -0.008 0.000 1.930 317 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 317 A C 2.024 179.578 177.584 -0.050 0.000 1.175 317 A CA 0.849 52.792 52.037 -0.158 0.000 0.627 317 A CB -0.460 18.389 19.000 -0.253 0.000 0.815 317 A HN 0.216 nan 8.150 nan 0.000 0.443 318 L N -0.254 120.999 121.223 0.050 0.000 2.017 318 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 318 L C 2.488 179.258 176.870 -0.167 0.000 1.073 318 L CA 2.345 57.119 54.840 -0.111 0.000 0.745 318 L CB -0.881 40.893 42.059 -0.475 0.000 0.894 318 L HN 0.517 nan 8.230 nan 0.000 0.432 319 R N -0.437 119.940 120.500 -0.204 0.000 2.103 319 R HA -0.209 4.131 4.340 -0.000 0.000 0.242 319 R C 2.422 178.602 176.300 -0.200 0.000 1.142 319 R CA 1.775 57.713 56.100 -0.271 0.000 0.960 319 R CB -0.195 29.803 30.300 -0.503 0.000 0.858 319 R HN 0.399 nan 8.270 nan 0.000 0.439 320 L N -0.790 120.312 121.223 -0.201 0.000 1.961 320 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 320 L C 2.634 179.472 176.870 -0.053 0.000 1.072 320 L CA 1.643 56.292 54.840 -0.317 0.000 0.749 320 L CB -0.807 40.697 42.059 -0.925 0.000 0.889 320 L HN 0.264 nan 8.230 nan 0.000 0.432 321 S N -0.919 114.773 115.700 -0.013 0.000 2.368 321 S HA -0.057 4.413 4.470 -0.000 0.000 0.226 321 S C 0.818 175.462 174.600 0.074 0.000 1.044 321 S CA 1.344 59.617 58.200 0.121 0.000 1.062 321 S CB -0.361 62.966 63.200 0.213 0.000 0.931 321 S HN 0.661 nan 8.310 nan 0.000 0.440 322 G N -1.772 107.028 108.800 -0.001 0.000 2.760 322 G HA2 0.447 4.407 3.960 -0.000 0.000 0.540 322 G HA3 0.447 4.407 3.960 -0.000 0.000 0.540 322 G C -0.418 174.432 174.900 -0.083 0.000 1.476 322 G CA -0.375 44.705 45.100 -0.034 0.000 0.949 322 G HN 1.027 nan 8.290 nan 0.000 0.633 323 G N 0.253 108.983 108.800 -0.116 0.000 2.667 323 G HA2 0.598 4.558 3.960 -0.000 0.000 0.294 323 G HA3 0.598 4.558 3.960 -0.000 0.000 0.294 323 G C -0.206 174.626 174.900 -0.113 0.000 1.467 323 G CA 0.097 45.119 45.100 -0.131 0.000 0.852 323 G HN 0.357 nan 8.290 nan 0.000 0.521 324 D N -0.508 119.831 120.400 -0.101 0.000 2.301 324 D HA 0.087 4.727 4.640 -0.000 0.000 0.206 324 D C 0.355 176.700 176.300 0.076 0.000 0.979 324 D CA 0.993 54.975 54.000 -0.029 0.000 0.874 324 D CB 0.355 41.138 40.800 -0.028 0.000 0.968 324 D HN 0.553 nan 8.370 nan 0.000 0.510 325 H N -0.637 118.310 119.070 -0.206 0.000 2.679 325 H HA 0.637 5.193 4.556 0.000 0.000 0.367 325 H C -0.675 174.455 175.328 -0.330 0.000 1.162 325 H CA -0.833 55.059 56.048 -0.261 0.000 1.181 325 H CB 3.051 32.626 29.762 -0.313 0.000 1.693 325 H HN -0.132 nan 8.280 nan 0.000 0.538 326 I N 1.305 121.787 120.570 -0.147 0.000 2.752 326 I HA 0.149 4.319 4.170 -0.000 0.000 0.295 326 I C -0.630 175.436 176.117 -0.085 0.000 1.219 326 I CA -0.616 60.596 61.300 -0.146 0.000 1.030 326 I CB 2.001 39.934 38.000 -0.111 0.000 1.259 326 I HN 0.674 nan 8.210 nan 0.000 0.423 327 H N 4.762 123.716 119.070 -0.193 0.000 2.848 327 H HA 0.116 4.672 4.556 -0.000 0.000 0.341 327 H C 0.485 175.734 175.328 -0.131 0.000 1.060 327 H CA 0.711 56.648 56.048 -0.185 0.000 1.444 327 H CB 1.132 30.722 29.762 -0.286 0.000 1.446 327 H HN 0.664 nan 8.280 nan 0.000 0.583 328 S N 1.652 117.349 115.700 -0.006 0.000 2.632 328 S HA 0.315 4.785 4.470 -0.000 0.000 0.237 328 S C 0.919 175.634 174.600 0.191 0.000 1.037 328 S CA 0.105 58.430 58.200 0.209 0.000 1.009 328 S CB 1.189 64.588 63.200 0.332 0.000 0.974 328 S HN 1.068 nan 8.310 nan 0.000 0.544 329 G N 1.095 109.901 108.800 0.011 0.000 2.663 329 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.686 329 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.686 329 G C 0.213 175.152 174.900 0.065 0.000 1.288 329 G CA 0.103 45.223 45.100 0.033 0.000 0.836 329 G HN 0.908 nan 8.290 nan 0.000 0.584 330 T N -2.920 111.659 114.554 0.042 0.000 2.971 330 T HA 0.457 4.807 4.350 -0.000 0.000 0.252 330 T C 1.860 176.640 174.700 0.133 0.000 1.022 330 T CA 1.393 63.538 62.100 0.075 0.000 0.980 330 T CB 0.422 69.228 68.868 -0.104 0.000 1.044 330 T HN 2.287 nan 8.240 nan 0.000 0.501 331 V N 0.842 120.801 119.914 0.075 0.000 0.516 331 V HA -0.340 3.780 4.120 -0.000 0.000 0.092 331 V C 2.080 178.185 176.094 0.019 0.000 2.243 331 V CA 1.967 64.291 62.300 0.040 0.000 3.573 331 V CB -1.991 29.838 31.823 0.009 0.000 0.862 331 V HN 0.690 nan 8.190 nan 0.000 0.902 332 V N -0.879 119.022 119.914 -0.021 0.000 3.649 332 V HA 0.652 4.772 4.120 -0.000 0.000 0.275 332 V C 1.276 177.306 176.094 -0.108 0.000 1.281 332 V CA 1.477 63.757 62.300 -0.033 0.000 1.143 332 V CB -0.187 31.607 31.823 -0.049 0.000 0.892 332 V HN 0.943 nan 8.190 nan 0.000 0.441 333 G N 1.399 110.083 108.800 -0.194 0.000 2.773 333 G HA2 0.288 4.248 3.960 -0.000 0.000 0.186 333 G HA3 0.288 4.248 3.960 -0.000 0.000 0.186 333 G C 0.753 175.398 174.900 -0.425 0.000 1.411 333 G CA 0.099 45.006 45.100 -0.322 0.000 1.054 333 G HN 0.448 nan 8.290 nan 0.000 0.579 334 K N -1.009 118.961 120.400 -0.717 0.000 2.361 334 K HA 0.234 4.554 4.320 -0.000 0.000 0.196 334 K C 0.251 176.670 176.600 -0.301 0.000 1.039 334 K CA 0.209 56.016 56.287 -0.801 0.000 1.001 334 K CB -0.154 31.808 32.500 -0.897 0.000 0.795 334 K HN 0.241 nan 8.250 nan 0.000 0.495 335 L N 1.648 122.746 121.223 -0.208 0.000 2.322 335 L HA 0.357 4.697 4.340 -0.000 0.000 0.269 335 L C -0.010 176.828 176.870 -0.053 0.000 1.012 335 L CA -1.118 53.653 54.840 -0.115 0.000 0.815 335 L CB 1.719 43.721 42.059 -0.096 0.000 1.295 335 L HN 0.085 nan 8.230 nan 0.000 0.438 336 E N 0.537 120.719 120.200 -0.029 0.000 2.392 336 E HA 0.450 4.800 4.350 -0.000 0.000 0.264 336 E C -0.418 176.209 176.600 0.045 0.000 1.024 336 E CA -0.031 56.379 56.400 0.017 0.000 0.903 336 E CB 0.865 30.574 29.700 0.015 0.000 0.963 336 E HN 0.755 nan 8.360 nan 0.000 0.432 337 G N 3.902 112.745 108.800 0.070 0.000 2.193 337 G HA2 0.043 4.003 3.960 -0.000 0.000 0.305 337 G HA3 0.043 4.003 3.960 -0.000 0.000 0.305 337 G C -1.205 173.745 174.900 0.084 0.000 1.427 337 G CA -0.738 44.425 45.100 0.105 0.000 1.137 337 G HN 0.392 nan 8.290 nan 0.000 0.576 338 E N 1.676 121.932 120.200 0.093 0.000 2.338 338 E HA 0.153 4.503 4.350 -0.000 0.000 0.272 338 E C 1.398 178.002 176.600 0.007 0.000 1.029 338 E CA -0.573 55.862 56.400 0.059 0.000 0.872 338 E CB 2.040 31.788 29.700 0.080 0.000 1.015 338 E HN 0.662 nan 8.360 nan 0.000 0.417 339 R N 2.461 122.948 120.500 -0.022 0.000 2.094 339 R HA -0.205 4.135 4.340 -0.000 0.000 0.239 339 R C 0.803 177.040 176.300 -0.106 0.000 1.137 339 R CA 1.967 58.020 56.100 -0.080 0.000 0.943 339 R CB 0.144 30.404 30.300 -0.067 0.000 0.850 339 R HN 0.438 nan 8.270 nan 0.000 0.433 340 D N 0.108 120.470 120.400 -0.063 0.000 2.149 340 D HA -0.099 4.541 4.640 -0.000 0.000 0.201 340 D C 1.976 178.234 176.300 -0.070 0.000 0.972 340 D CA 1.041 55.002 54.000 -0.064 0.000 0.835 340 D CB -0.136 40.645 40.800 -0.032 0.000 0.966 340 D HN 0.332 nan 8.370 nan 0.000 0.476 341 I N 0.847 121.402 120.570 -0.026 0.000 2.286 341 I HA -0.226 3.944 4.170 -0.000 0.000 0.248 341 I C 2.181 178.178 176.117 -0.201 0.000 1.115 341 I CA 1.012 62.325 61.300 0.022 0.000 1.392 341 I CB -0.161 37.954 38.000 0.192 0.000 1.065 341 I HN -0.026 nan 8.210 nan 0.000 0.418 342 T N 1.041 115.374 114.554 -0.367 0.000 2.812 342 T HA -0.061 4.289 4.350 -0.000 0.000 0.264 342 T C 1.940 176.220 174.700 -0.701 0.000 1.042 342 T CA 1.036 62.616 62.100 -0.866 0.000 1.140 342 T CB -0.219 68.411 68.868 -0.397 0.000 0.870 342 T HN 0.226 nan 8.240 nan 0.000 0.445 343 L N 0.768 121.768 121.223 -0.370 0.000 2.083 343 L HA -0.025 4.315 4.340 -0.000 0.000 0.209 343 L C 2.958 179.728 176.870 -0.167 0.000 1.083 343 L CA 1.271 55.961 54.840 -0.249 0.000 0.752 343 L CB -0.983 40.968 42.059 -0.180 0.000 0.899 343 L HN 0.352 nan 8.230 nan 0.000 0.433 344 G N 1.034 109.747 108.800 -0.144 0.000 2.459 344 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.217 344 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.217 344 G C 1.292 176.232 174.900 0.068 0.000 1.183 344 G CA 1.134 46.219 45.100 -0.024 0.000 0.776 344 G HN 0.489 nan 8.290 nan 0.000 0.552 345 F N 1.097 121.122 119.950 0.126 0.000 2.512 345 F HA 0.227 4.754 4.527 0.000 0.000 0.296 345 F C 2.278 178.153 175.800 0.124 0.000 1.110 345 F CA 0.358 58.441 58.000 0.139 0.000 1.446 345 F CB -1.026 38.088 39.000 0.189 0.000 1.092 345 F HN 0.089 nan 8.300 nan 0.000 0.554 346 V N 1.025 121.010 119.914 0.118 0.000 2.407 346 V HA -0.214 3.906 4.120 -0.000 0.000 0.248 346 V C 1.968 178.133 176.094 0.119 0.000 1.055 346 V CA 2.607 65.009 62.300 0.170 0.000 1.049 346 V CB -0.619 31.303 31.823 0.165 0.000 0.662 346 V HN 0.222 nan 8.190 nan 0.000 0.455 347 D N 0.527 120.977 120.400 0.083 0.000 2.117 347 D HA -0.098 4.542 4.640 -0.000 0.000 0.197 347 D C 2.124 178.499 176.300 0.125 0.000 0.987 347 D CA 1.827 55.879 54.000 0.086 0.000 0.829 347 D CB -0.358 40.482 40.800 0.067 0.000 0.961 347 D HN 0.505 nan 8.370 nan 0.000 0.460 348 L N 0.077 121.407 121.223 0.177 0.000 2.191 348 L HA -0.124 4.216 4.340 -0.000 0.000 0.212 348 L C 2.313 179.244 176.870 0.103 0.000 1.103 348 L CA 0.540 55.530 54.840 0.251 0.000 0.769 348 L CB -0.174 42.062 42.059 0.295 0.000 0.908 348 L HN 0.056 nan 8.230 nan 0.000 0.438 349 L N -1.197 120.042 121.223 0.027 0.000 2.202 349 L HA -0.026 4.314 4.340 -0.000 0.000 0.205 349 L C 2.566 179.327 176.870 -0.183 0.000 1.083 349 L CA 0.745 55.509 54.840 -0.126 0.000 0.790 349 L CB -0.167 41.889 42.059 -0.006 0.000 0.942 349 L HN 0.127 nan 8.230 nan 0.000 0.452 350 R N -0.895 119.564 120.500 -0.069 0.000 2.223 350 R HA 0.096 4.436 4.340 -0.000 0.000 0.198 350 R C -0.242 176.033 176.300 -0.042 0.000 0.984 350 R CA 0.167 56.236 56.100 -0.052 0.000 1.018 350 R CB 0.261 30.569 30.300 0.013 0.000 0.945 350 R HN 0.234 nan 8.270 nan 0.000 0.479 351 D N -0.298 120.099 120.400 -0.004 0.000 2.384 351 D HA 0.039 4.679 4.640 -0.000 0.000 0.250 351 D C 0.039 176.435 176.300 0.159 0.000 1.029 351 D CA -0.385 53.666 54.000 0.085 0.000 0.990 351 D CB 1.435 42.315 40.800 0.133 0.000 1.175 351 D HN -0.189 nan 8.370 nan 0.000 0.532 352 D N -1.276 119.259 120.400 0.226 0.000 2.323 352 D HA -0.053 4.587 4.640 -0.000 0.000 0.209 352 D C -0.740 175.839 176.300 0.466 0.000 0.973 352 D CA 0.491 54.688 54.000 0.328 0.000 0.874 352 D CB 0.279 41.212 40.800 0.222 0.000 0.930 352 D HN 0.276 nan 8.370 nan 0.000 0.521 353 Y N -0.735 119.706 120.300 0.235 0.000 2.436 353 Y HA 0.405 4.955 4.550 -0.000 0.000 0.327 353 Y C -1.679 174.308 175.900 0.146 0.000 1.138 353 Y CA -0.749 57.446 58.100 0.158 0.000 1.042 353 Y CB 1.684 40.201 38.460 0.095 0.000 1.302 353 Y HN -0.296 nan 8.280 nan 0.000 0.439 354 T N 5.467 119.758 114.554 -0.438 0.000 3.011 354 T HA 0.231 4.581 4.350 -0.000 0.000 0.303 354 T C -1.114 173.315 174.700 -0.452 0.000 0.997 354 T CA -0.741 61.188 62.100 -0.286 0.000 1.007 354 T CB 1.498 70.352 68.868 -0.024 0.000 1.017 354 T HN 0.656 nan 8.240 nan 0.000 0.443 355 E N 2.188 122.185 120.200 -0.338 0.000 2.331 355 E HA 0.209 4.559 4.350 -0.000 0.000 0.272 355 E C 0.202 176.749 176.600 -0.090 0.000 1.036 355 E CA -0.677 55.594 56.400 -0.214 0.000 0.864 355 E CB 0.734 30.402 29.700 -0.053 0.000 1.035 355 E HN 0.431 nan 8.360 nan 0.000 0.408 356 K N 2.622 122.992 120.400 -0.050 0.000 2.548 356 K HA -0.192 4.128 4.320 -0.000 0.000 0.277 356 K C -0.938 175.636 176.600 -0.043 0.000 1.001 356 K CA 0.977 57.246 56.287 -0.029 0.000 1.102 356 K CB 0.228 32.715 32.500 -0.022 0.000 0.848 356 K HN 0.383 nan 8.250 nan 0.000 0.487 357 D N 3.928 124.293 120.400 -0.058 0.000 2.474 357 D HA 0.138 4.778 4.640 -0.000 0.000 0.234 357 D C 0.223 176.462 176.300 -0.101 0.000 1.323 357 D CA -0.481 53.481 54.000 -0.064 0.000 0.915 357 D CB 0.472 41.250 40.800 -0.036 0.000 1.487 357 D HN 0.480 nan 8.370 nan 0.000 0.524 358 R N 0.637 121.044 120.500 -0.156 0.000 2.193 358 R HA -0.071 4.269 4.340 -0.000 0.000 0.229 358 R C 1.799 178.009 176.300 -0.150 0.000 1.110 358 R CA 1.193 57.150 56.100 -0.237 0.000 0.988 358 R CB -0.546 29.593 30.300 -0.268 0.000 0.871 358 R HN 0.496 nan 8.270 nan 0.000 0.458 359 S N 0.015 115.661 115.700 -0.090 0.000 2.481 359 S HA -0.022 4.448 4.470 -0.000 0.000 0.231 359 S C 1.533 176.109 174.600 -0.041 0.000 0.996 359 S CA 0.494 58.660 58.200 -0.057 0.000 0.942 359 S CB 0.048 63.224 63.200 -0.041 0.000 0.768 359 S HN 0.257 nan 8.310 nan 0.000 0.520 360 R N 0.157 120.632 120.500 -0.042 0.000 2.509 360 R HA 0.321 4.661 4.340 -0.000 0.000 0.300 360 R C 1.177 177.476 176.300 -0.001 0.000 0.985 360 R CA 0.337 56.424 56.100 -0.021 0.000 1.092 360 R CB 0.409 30.695 30.300 -0.023 0.000 1.237 360 R HN 0.528 nan 8.270 nan 0.000 0.546 361 G N 1.703 110.487 108.800 -0.026 0.000 2.143 361 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.249 361 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.249 361 G C 0.136 175.105 174.900 0.114 0.000 0.981 361 G CA -0.213 44.903 45.100 0.028 0.000 0.665 361 G HN 0.264 nan 8.290 nan 0.000 0.528 362 I N 0.996 121.588 120.570 0.036 0.000 2.291 362 I HA 0.315 4.485 4.170 -0.000 0.000 0.292 362 I C 1.277 177.410 176.117 0.027 0.000 1.064 362 I CA -0.884 60.473 61.300 0.095 0.000 1.269 362 I CB 0.421 38.455 38.000 0.056 0.000 1.418 362 I HN 0.055 nan 8.210 nan 0.000 0.485 363 Y N 5.328 125.559 120.300 -0.114 0.000 2.475 363 Y HA 0.167 4.717 4.550 0.000 0.000 0.289 363 Y C 0.237 175.868 175.900 -0.449 0.000 1.121 363 Y CA 0.412 58.326 58.100 -0.310 0.000 1.257 363 Y CB -0.049 38.108 38.460 -0.505 0.000 1.026 363 Y HN 0.307 nan 8.280 nan 0.000 0.555 364 F N -1.840 118.222 119.950 0.188 0.000 2.588 364 F HA 0.375 4.902 4.527 0.000 0.000 0.310 364 F C 0.189 175.992 175.800 0.005 0.000 1.082 364 F CA -1.638 56.425 58.000 0.104 0.000 0.929 364 F CB 1.098 40.159 39.000 0.103 0.000 1.254 364 F HN -0.504 nan 8.300 nan 0.000 0.455 365 T N 1.864 116.517 114.554 0.165 0.000 2.870 365 T HA 0.287 4.637 4.350 -0.000 0.000 0.300 365 T C -0.522 174.140 174.700 -0.063 0.000 0.989 365 T CA 0.016 62.103 62.100 -0.020 0.000 1.139 365 T CB 0.671 69.519 68.868 -0.033 0.000 0.920 365 T HN 0.470 nan 8.240 nan 0.000 0.537 366 Q N 2.145 121.832 119.800 -0.188 0.000 2.321 366 Q HA 0.529 4.869 4.340 -0.000 0.000 0.270 366 Q C -1.205 174.599 176.000 -0.327 0.000 1.032 366 Q CA -0.383 55.261 55.803 -0.265 0.000 0.784 366 Q CB 1.536 30.126 28.738 -0.247 0.000 1.264 366 Q HN 0.579 nan 8.270 nan 0.000 0.448 367 S N 3.071 118.579 115.700 -0.320 0.000 2.537 367 S HA 0.466 4.936 4.470 -0.000 0.000 0.301 367 S C -0.750 173.627 174.600 -0.372 0.000 1.092 367 S CA -0.501 57.608 58.200 -0.151 0.000 1.048 367 S CB 0.583 63.814 63.200 0.052 0.000 1.053 367 S HN 0.828 nan 8.310 nan 0.000 0.501 368 W N 0.922 122.266 121.300 0.073 0.000 2.870 368 W HA 0.214 4.874 4.660 -0.000 0.000 0.358 368 W C 0.562 177.101 176.519 0.034 0.000 1.043 368 W CA -0.466 56.900 57.345 0.034 0.000 1.692 368 W CB -0.055 29.420 29.460 0.024 0.000 1.100 368 W HN 0.597 nan 8.180 nan 0.000 0.557 369 V N -0.136 119.899 119.914 0.201 0.000 5.482 369 V HA -0.391 3.729 4.120 -0.000 0.000 0.262 369 V C 0.735 176.912 176.094 0.138 0.000 0.664 369 V CA 0.789 63.171 62.300 0.136 0.000 0.609 369 V CB -2.502 29.374 31.823 0.088 0.000 0.306 369 V HN 0.462 nan 8.190 nan 0.000 0.731 370 S N -2.095 113.699 115.700 0.157 0.000 3.084 370 S HA -0.212 4.258 4.470 -0.000 0.000 0.277 370 S C 0.729 175.388 174.600 0.099 0.000 1.295 370 S CA 1.308 59.576 58.200 0.114 0.000 1.170 370 S CB -1.664 61.581 63.200 0.075 0.000 1.412 370 S HN 1.640 nan 8.310 nan 0.000 0.669 371 T N 3.667 118.307 114.554 0.144 0.000 2.891 371 T HA 0.196 4.546 4.350 -0.000 0.000 0.296 371 T C -1.795 172.893 174.700 -0.020 0.000 1.025 371 T CA -0.124 62.021 62.100 0.075 0.000 1.149 371 T CB 0.052 69.003 68.868 0.138 0.000 1.007 371 T HN 0.145 nan 8.240 nan 0.000 0.528 372 P HA 0.206 nan 4.420 nan 0.000 0.267 372 P C 0.387 177.606 177.300 -0.135 0.000 1.201 372 P CA -0.135 62.930 63.100 -0.059 0.000 0.775 372 P CB 0.383 32.058 31.700 -0.042 0.000 0.854 373 G N 0.624 109.361 108.800 -0.105 0.000 2.448 373 G HA2 0.472 4.432 3.960 -0.000 0.000 0.285 373 G HA3 0.472 4.432 3.960 -0.000 0.000 0.285 373 G C -0.880 173.953 174.900 -0.112 0.000 1.176 373 G CA -0.443 44.569 45.100 -0.147 0.000 0.852 373 G HN 0.347 nan 8.290 nan 0.000 0.530 374 V N 2.002 121.833 119.914 -0.138 0.000 2.427 374 V HA 0.229 4.349 4.120 -0.000 0.000 0.286 374 V C 0.002 176.064 176.094 -0.054 0.000 1.034 374 V CA -0.871 61.372 62.300 -0.094 0.000 0.893 374 V CB 1.448 33.188 31.823 -0.139 0.000 0.982 374 V HN 0.546 nan 8.190 nan 0.000 0.452 375 L N 8.993 130.196 121.223 -0.033 0.000 2.361 375 L HA 0.385 4.725 4.340 -0.000 0.000 0.278 375 L C -2.001 174.795 176.870 -0.122 0.000 1.113 375 L CA -1.582 53.212 54.840 -0.076 0.000 0.849 375 L CB 0.696 42.683 42.059 -0.121 0.000 1.155 375 L HN 0.445 nan 8.230 nan 0.000 0.452 376 P HA 0.127 nan 4.420 nan 0.000 0.276 376 P C -1.058 176.072 177.300 -0.283 0.000 1.230 376 P CA -0.182 62.854 63.100 -0.107 0.000 0.776 376 P CB 1.144 32.858 31.700 0.024 0.000 0.888 377 V N 3.046 122.765 119.914 -0.324 0.000 2.384 377 V HA 0.554 4.674 4.120 -0.000 0.000 0.287 377 V C 0.410 176.197 176.094 -0.512 0.000 1.020 377 V CA -0.812 61.220 62.300 -0.447 0.000 0.850 377 V CB 1.383 32.909 31.823 -0.496 0.000 0.987 377 V HN 0.676 nan 8.190 nan 0.000 0.436 378 A N 3.902 126.379 122.820 -0.572 0.000 2.260 378 A HA 0.844 5.164 4.320 -0.000 0.000 0.314 378 A C 0.013 177.354 177.584 -0.405 0.000 1.257 378 A CA -0.251 51.468 52.037 -0.531 0.000 0.871 378 A CB 1.034 19.619 19.000 -0.693 0.000 1.166 378 A HN 1.032 nan 8.150 nan 0.000 0.522 379 S N 1.857 117.386 115.700 -0.286 0.000 2.537 379 S HA 0.759 5.229 4.470 -0.000 0.000 0.270 379 S C -0.493 174.009 174.600 -0.164 0.000 1.142 379 S CA 0.398 58.456 58.200 -0.236 0.000 0.870 379 S CB 1.323 64.455 63.200 -0.114 0.000 1.112 379 S HN 2.607 nan 8.310 nan 0.000 0.466 380 G N 1.197 109.880 108.800 -0.196 0.000 2.673 380 G HA2 0.466 4.426 3.960 -0.000 0.000 0.566 380 G HA3 0.466 4.426 3.960 -0.000 0.000 0.566 380 G C 0.845 175.584 174.900 -0.268 0.000 1.170 380 G CA 0.354 45.351 45.100 -0.172 0.000 1.242 380 G HN 2.318 nan 8.290 nan 0.000 0.568 381 G N 0.012 108.675 108.800 -0.228 0.000 2.142 381 G HA2 0.031 3.991 3.960 -0.000 0.000 0.225 381 G HA3 0.031 3.991 3.960 -0.000 0.000 0.225 381 G C 0.477 175.328 174.900 -0.082 0.000 1.015 381 G CA 0.662 45.606 45.100 -0.261 0.000 0.716 381 G HN 2.186 nan 8.290 nan 0.000 0.508 382 I N -2.255 118.265 120.570 -0.083 0.000 2.863 382 I HA 1.006 5.176 4.170 -0.000 0.000 0.311 382 I C 0.131 176.460 176.117 0.353 0.000 1.026 382 I CA -1.461 59.855 61.300 0.027 0.000 1.077 382 I CB 1.931 39.777 38.000 -0.256 0.000 1.262 382 I HN 0.352 nan 8.210 nan 0.000 0.461 383 H N 0.363 119.795 119.070 0.603 0.000 2.905 383 H HA 0.422 4.978 4.556 -0.000 0.000 0.280 383 H C 0.519 175.934 175.328 0.144 0.000 1.445 383 H CA -0.417 55.739 56.048 0.181 0.000 1.165 383 H CB 0.578 30.149 29.762 -0.318 0.000 1.857 383 H HN 0.352 nan 8.280 nan 0.000 0.567 384 V N -2.751 117.221 119.914 0.097 0.000 2.380 384 V HA -0.249 3.871 4.120 -0.000 0.000 0.251 384 V C 1.352 177.398 176.094 -0.081 0.000 1.063 384 V CA 1.891 64.120 62.300 -0.118 0.000 1.055 384 V CB -1.242 30.428 31.823 -0.255 0.000 0.657 384 V HN 0.787 nan 8.190 nan 0.000 0.455 385 W N -0.179 121.191 121.300 0.117 0.000 2.465 385 W HA 0.021 4.681 4.660 -0.000 0.000 0.268 385 W C 2.606 179.047 176.519 -0.131 0.000 1.242 385 W CA 1.117 58.455 57.345 -0.012 0.000 1.248 385 W CB -0.543 28.932 29.460 0.025 0.000 1.118 385 W HN 0.356 nan 8.180 nan 0.000 0.587 386 H N -0.708 118.416 119.070 0.090 0.000 2.555 386 H HA -0.017 4.540 4.556 -0.000 0.000 0.269 386 H C 1.875 177.274 175.328 0.118 0.000 0.988 386 H CA 1.010 57.096 56.048 0.064 0.000 1.178 386 H CB -0.332 29.419 29.762 -0.019 0.000 1.373 386 H HN 0.185 nan 8.280 nan 0.000 0.588 387 M N 1.486 121.212 119.600 0.211 0.000 2.082 387 M HA -0.081 4.399 4.480 -0.000 0.000 0.258 387 M C -0.851 175.539 176.300 0.150 0.000 1.071 387 M CA 1.594 56.998 55.300 0.174 0.000 1.103 387 M CB -1.052 31.588 32.600 0.067 0.000 1.307 387 M HN 0.063 nan 8.290 nan 0.000 0.409 388 P HA -0.183 nan 4.420 nan 0.000 0.215 388 P C 1.109 178.478 177.300 0.114 0.000 1.163 388 P CA 2.531 65.698 63.100 0.111 0.000 0.894 388 P CB -0.393 31.373 31.700 0.111 0.000 0.791 389 A N -1.114 121.786 122.820 0.133 0.000 1.898 389 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 389 A C 2.275 179.927 177.584 0.114 0.000 1.181 389 A CA 1.365 53.469 52.037 0.111 0.000 0.620 389 A CB -1.618 17.459 19.000 0.129 0.000 0.819 389 A HN 0.100 nan 8.150 nan 0.000 0.442 390 L N -0.643 120.684 121.223 0.173 0.000 2.017 390 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 390 L C 2.837 179.855 176.870 0.246 0.000 1.073 390 L CA 1.902 56.893 54.840 0.252 0.000 0.745 390 L CB -1.018 41.184 42.059 0.238 0.000 0.894 390 L HN 0.350 nan 8.230 nan 0.000 0.432 391 T N -1.185 113.473 114.554 0.174 0.000 2.720 391 T HA -0.229 4.121 4.350 -0.000 0.000 0.268 391 T C 1.835 176.595 174.700 0.099 0.000 1.037 391 T CA 1.359 63.542 62.100 0.139 0.000 1.144 391 T CB -0.216 68.716 68.868 0.106 0.000 0.864 391 T HN 0.299 nan 8.240 nan 0.000 0.444 392 E N 0.876 121.117 120.200 0.068 0.000 2.077 392 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 392 E C 2.182 178.760 176.600 -0.038 0.000 0.989 392 E CA 1.009 57.422 56.400 0.022 0.000 0.800 392 E CB -0.242 29.470 29.700 0.020 0.000 0.746 392 E HN 0.522 nan 8.360 nan 0.000 0.452 393 I N -0.517 119.996 120.570 -0.096 0.000 2.233 393 I HA -0.232 3.938 4.170 -0.000 0.000 0.243 393 I C 1.963 177.818 176.117 -0.436 0.000 1.093 393 I CA 1.054 62.148 61.300 -0.343 0.000 1.380 393 I CB -0.198 37.458 38.000 -0.574 0.000 1.067 393 I HN 0.019 nan 8.210 nan 0.000 0.413 394 F N 0.286 120.233 119.950 -0.005 0.000 2.582 394 F HA 0.343 4.870 4.527 0.000 0.000 0.290 394 F C 1.624 177.426 175.800 0.003 0.000 1.115 394 F CA 0.570 58.565 58.000 -0.009 0.000 1.445 394 F CB -0.651 38.340 39.000 -0.015 0.000 1.126 394 F HN 0.134 nan 8.300 nan 0.000 0.574 395 G N 0.755 109.648 108.800 0.155 0.000 2.698 395 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.233 395 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.233 395 G C 0.277 175.247 174.900 0.116 0.000 1.352 395 G CA 0.099 45.263 45.100 0.107 0.000 0.879 395 G HN 0.148 nan 8.290 nan 0.000 0.567 396 D N 0.468 120.919 120.400 0.086 0.000 2.117 396 D HA 0.005 4.645 4.640 -0.000 0.000 0.197 396 D C 1.090 177.430 176.300 0.067 0.000 0.987 396 D CA 1.547 55.592 54.000 0.075 0.000 0.829 396 D CB -0.172 40.670 40.800 0.071 0.000 0.961 396 D HN 0.405 nan 8.370 nan 0.000 0.460 397 D N 0.528 120.970 120.400 0.071 0.000 2.551 397 D HA 0.178 4.818 4.640 -0.000 0.000 0.223 397 D C -0.099 176.224 176.300 0.037 0.000 1.144 397 D CA 0.062 54.093 54.000 0.051 0.000 1.025 397 D CB -0.107 40.725 40.800 0.054 0.000 1.085 397 D HN 0.023 nan 8.370 nan 0.000 0.506 398 S N -1.321 114.378 115.700 -0.001 0.000 2.588 398 S HA 0.604 5.074 4.470 -0.000 0.000 0.269 398 S C -0.907 173.620 174.600 -0.122 0.000 1.157 398 S CA -0.944 57.201 58.200 -0.091 0.000 0.824 398 S CB 1.601 64.740 63.200 -0.103 0.000 1.126 398 S HN -0.080 nan 8.310 nan 0.000 0.464 399 V N 1.758 121.546 119.914 -0.209 0.000 2.417 399 V HA 0.509 4.629 4.120 -0.000 0.000 0.291 399 V C -0.687 175.295 176.094 -0.188 0.000 1.024 399 V CA -0.642 61.579 62.300 -0.131 0.000 0.861 399 V CB 1.025 32.781 31.823 -0.112 0.000 0.985 399 V HN 0.801 nan 8.190 nan 0.000 0.436 400 L N 5.078 126.243 121.223 -0.097 0.000 2.287 400 L HA 0.584 4.924 4.340 -0.000 0.000 0.287 400 L C -0.168 176.598 176.870 -0.174 0.000 1.022 400 L CA -0.330 54.407 54.840 -0.171 0.000 0.814 400 L CB 1.296 43.357 42.059 0.004 0.000 1.217 400 L HN 0.615 nan 8.230 nan 0.000 0.420 401 Q N 3.609 123.161 119.800 -0.414 0.000 2.333 401 Q HA 0.496 4.836 4.340 -0.000 0.000 0.268 401 Q C -1.462 174.222 176.000 -0.526 0.000 1.007 401 Q CA -0.406 55.227 55.803 -0.284 0.000 0.810 401 Q CB 2.303 30.949 28.738 -0.154 0.000 1.264 401 Q HN 0.438 nan 8.270 nan 0.000 0.452 402 F N 1.214 121.141 119.950 -0.039 0.000 2.443 402 F HA 0.340 4.867 4.527 -0.000 0.000 0.369 402 F C 0.978 176.758 175.800 -0.033 0.000 1.090 402 F CA -0.688 57.284 58.000 -0.046 0.000 1.129 402 F CB 1.117 40.087 39.000 -0.051 0.000 1.367 402 F HN 0.729 nan 8.300 nan 0.000 0.465 403 G N 1.562 110.403 108.800 0.068 0.000 2.654 403 G HA2 0.017 3.977 3.960 -0.000 0.000 0.215 403 G HA3 0.017 3.977 3.960 -0.000 0.000 0.215 403 G C 1.826 176.775 174.900 0.082 0.000 1.310 403 G CA 0.594 45.729 45.100 0.057 0.000 0.866 403 G HN 0.728 nan 8.290 nan 0.000 0.558 404 G N 0.752 109.596 108.800 0.072 0.000 2.597 404 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.222 404 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.222 404 G C 1.681 176.643 174.900 0.103 0.000 1.135 404 G CA 1.576 46.737 45.100 0.103 0.000 0.759 404 G HN 0.818 nan 8.290 nan 0.000 0.595 405 G N -1.202 107.611 108.800 0.021 0.000 2.848 405 G HA2 0.194 4.154 3.960 -0.000 0.000 0.208 405 G HA3 0.194 4.154 3.960 -0.000 0.000 0.208 405 G C 1.482 176.446 174.900 0.107 0.000 1.152 405 G CA 1.545 46.561 45.100 -0.139 0.000 0.789 405 G HN 0.443 nan 8.290 nan 0.000 0.531 406 T N 0.321 114.980 114.554 0.176 0.000 3.085 406 T HA 0.100 4.450 4.350 -0.000 0.000 0.241 406 T C 1.877 176.692 174.700 0.192 0.000 0.988 406 T CA -0.024 62.173 62.100 0.162 0.000 1.117 406 T CB 0.011 68.933 68.868 0.090 0.000 0.978 406 T HN 0.059 nan 8.240 nan 0.000 0.454 407 L N 1.548 122.867 121.223 0.160 0.000 2.599 407 L HA 0.328 4.668 4.340 -0.000 0.000 0.230 407 L C 2.201 179.188 176.870 0.195 0.000 1.141 407 L CA 0.616 55.539 54.840 0.137 0.000 0.877 407 L CB -0.246 41.861 42.059 0.079 0.000 1.009 407 L HN 0.354 nan 8.230 nan 0.000 0.447 408 G N -2.857 106.131 108.800 0.313 0.000 3.088 408 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.217 408 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.217 408 G C 0.534 175.628 174.900 0.322 0.000 1.159 408 G CA -0.250 45.080 45.100 0.383 0.000 0.760 408 G HN 0.279 nan 8.290 nan 0.000 0.550 409 H N 1.719 120.914 119.070 0.207 0.000 2.732 409 H HA 0.137 4.693 4.556 -0.000 0.000 0.351 409 H C -1.144 174.145 175.328 -0.065 0.000 1.090 409 H CA -1.406 54.630 56.048 -0.020 0.000 1.431 409 H CB 2.128 31.904 29.762 0.023 0.000 1.447 409 H HN -0.036 nan 8.280 nan 0.000 0.582 410 P HA -0.147 nan 4.420 nan 0.000 0.219 410 P C 0.701 178.221 177.300 0.366 0.000 1.146 410 P CA 1.208 64.286 63.100 -0.036 0.000 0.808 410 P CB 0.088 31.654 31.700 -0.223 0.000 0.779 411 W N 0.081 121.585 121.300 0.341 0.000 3.239 411 W HA 0.526 5.186 4.660 -0.000 0.000 0.348 411 W C 1.043 177.613 176.519 0.085 0.000 1.183 411 W CA 0.376 57.828 57.345 0.179 0.000 1.819 411 W CB -0.676 28.883 29.460 0.164 0.000 1.091 411 W HN 0.043 nan 8.180 nan 0.000 0.629 412 G N 0.919 109.892 108.800 0.289 0.000 2.592 412 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.684 412 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.684 412 G C 0.572 175.496 174.900 0.039 0.000 1.291 412 G CA -0.242 44.937 45.100 0.132 0.000 0.891 412 G HN -0.045 nan 8.290 nan 0.000 0.544 413 N N -0.047 118.657 118.700 0.006 0.000 2.142 413 N HA 0.033 4.773 4.740 -0.000 0.000 0.186 413 N C 2.714 178.168 175.510 -0.093 0.000 1.023 413 N CA 2.425 55.455 53.050 -0.033 0.000 0.852 413 N CB -0.591 37.873 38.487 -0.038 0.000 0.998 413 N HN 1.062 nan 8.380 nan 0.000 0.424 414 A N 1.416 124.174 122.820 -0.103 0.000 1.858 414 A HA -0.038 4.282 4.320 -0.000 0.000 0.216 414 A C -0.178 177.320 177.584 -0.144 0.000 1.190 414 A CA 1.356 53.317 52.037 -0.127 0.000 0.617 414 A CB -1.496 17.431 19.000 -0.122 0.000 0.827 414 A HN 0.206 nan 8.150 nan 0.000 0.443 415 P HA -0.048 nan 4.420 nan 0.000 0.218 415 P C 1.680 178.594 177.300 -0.643 0.000 1.149 415 P CA 1.573 64.494 63.100 -0.298 0.000 0.817 415 P CB -0.274 31.345 31.700 -0.136 0.000 0.785 416 G N 0.157 108.588 108.800 -0.615 0.000 2.418 416 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 416 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 416 G C 1.608 176.396 174.900 -0.187 0.000 1.158 416 G CA 0.915 45.793 45.100 -0.371 0.000 0.771 416 G HN 0.297 nan 8.290 nan 0.000 0.545 417 A N 0.169 122.893 122.820 -0.160 0.000 1.873 417 A HA 0.125 4.445 4.320 -0.000 0.000 0.215 417 A C 2.600 180.105 177.584 -0.133 0.000 1.186 417 A CA 1.685 53.650 52.037 -0.121 0.000 0.616 417 A CB -0.684 18.257 19.000 -0.099 0.000 0.823 417 A HN 0.238 nan 8.150 nan 0.000 0.442 418 V N 0.177 120.009 119.914 -0.138 0.000 2.282 418 V HA -0.332 3.788 4.120 -0.000 0.000 0.249 418 V C 3.071 179.083 176.094 -0.137 0.000 1.057 418 V CA 2.176 64.409 62.300 -0.111 0.000 1.032 418 V CB -1.375 30.398 31.823 -0.084 0.000 0.645 418 V HN 0.628 nan 8.190 nan 0.000 0.447 419 A N 0.314 123.028 122.820 -0.178 0.000 1.883 419 A HA -0.307 4.013 4.320 -0.000 0.000 0.217 419 A C 2.035 179.492 177.584 -0.211 0.000 1.186 419 A CA 2.518 54.445 52.037 -0.182 0.000 0.624 419 A CB -0.921 18.014 19.000 -0.109 0.000 0.822 419 A HN 0.703 nan 8.150 nan 0.000 0.444 420 N N -1.306 117.246 118.700 -0.245 0.000 2.188 420 N HA -0.155 4.585 4.740 -0.000 0.000 0.184 420 N C 1.959 177.333 175.510 -0.227 0.000 1.018 420 N CA 1.305 54.136 53.050 -0.364 0.000 0.858 420 N CB -0.119 38.055 38.487 -0.522 0.000 0.989 420 N HN 0.424 nan 8.380 nan 0.000 0.426 421 R N 1.068 121.483 120.500 -0.143 0.000 2.062 421 R HA 0.034 4.374 4.340 -0.000 0.000 0.229 421 R C 1.774 178.049 176.300 -0.042 0.000 1.128 421 R CA 0.994 57.050 56.100 -0.074 0.000 0.960 421 R CB -0.780 29.489 30.300 -0.052 0.000 0.855 421 R HN -0.003 nan 8.270 nan 0.000 0.432 422 V N 1.047 120.933 119.914 -0.048 0.000 2.332 422 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 422 V C 2.349 178.416 176.094 -0.045 0.000 1.055 422 V CA 2.002 64.297 62.300 -0.008 0.000 1.038 422 V CB -0.971 30.792 31.823 -0.101 0.000 0.651 422 V HN 0.542 nan 8.190 nan 0.000 0.450 423 A N -0.353 122.390 122.820 -0.128 0.000 1.877 423 A HA -0.213 4.107 4.320 -0.000 0.000 0.216 423 A C 2.166 179.719 177.584 -0.052 0.000 1.186 423 A CA 2.203 54.162 52.037 -0.130 0.000 0.620 423 A CB -0.583 18.298 19.000 -0.199 0.000 0.822 423 A HN 0.455 nan 8.150 nan 0.000 0.443 424 L N 0.061 121.259 121.223 -0.042 0.000 2.027 424 L HA -0.133 4.207 4.340 -0.000 0.000 0.206 424 L C 2.253 179.143 176.870 0.032 0.000 1.074 424 L CA 2.393 57.239 54.840 0.009 0.000 0.745 424 L CB -0.669 41.399 42.059 0.016 0.000 0.898 424 L HN 0.511 nan 8.230 nan 0.000 0.433 425 E N -0.405 119.817 120.200 0.038 0.000 2.110 425 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 425 E C 2.135 178.783 176.600 0.080 0.000 0.988 425 E CA 1.069 57.505 56.400 0.060 0.000 0.804 425 E CB -0.300 29.442 29.700 0.070 0.000 0.745 425 E HN 0.662 nan 8.360 nan 0.000 0.458 426 A N 0.938 123.818 122.820 0.100 0.000 1.908 426 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 426 A C 2.456 180.085 177.584 0.076 0.000 1.181 426 A CA 1.328 53.434 52.037 0.114 0.000 0.627 426 A CB -0.859 18.205 19.000 0.107 0.000 0.818 426 A HN 0.357 nan 8.150 nan 0.000 0.445 427 C N -1.474 117.859 119.300 0.056 0.000 2.440 427 C HA -0.027 4.433 4.460 -0.000 0.000 0.278 427 C C 2.736 177.760 174.990 0.057 0.000 1.295 427 C CA 0.904 59.956 59.018 0.057 0.000 1.738 427 C CB -1.229 26.547 27.740 0.059 0.000 1.987 427 C HN 0.456 nan 8.230 nan 0.000 0.492 428 V N 0.551 120.499 119.914 0.056 0.000 2.295 428 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 428 V C 2.541 178.663 176.094 0.047 0.000 1.049 428 V CA 2.232 64.563 62.300 0.052 0.000 1.024 428 V CB -0.855 30.997 31.823 0.050 0.000 0.648 428 V HN 0.622 nan 8.190 nan 0.000 0.447 429 Q N -0.162 119.668 119.800 0.049 0.000 2.030 429 Q HA -0.249 4.091 4.340 -0.000 0.000 0.204 429 Q C 2.270 178.294 176.000 0.041 0.000 0.986 429 Q CA 2.279 58.107 55.803 0.041 0.000 0.843 429 Q CB -0.332 28.431 28.738 0.041 0.000 0.904 429 Q HN 0.623 nan 8.270 nan 0.000 0.420 430 A N 1.381 124.230 122.820 0.050 0.000 1.883 430 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 430 A C 2.146 179.755 177.584 0.041 0.000 1.186 430 A CA 1.723 53.788 52.037 0.047 0.000 0.624 430 A CB -0.841 18.192 19.000 0.055 0.000 0.822 430 A HN 0.491 nan 8.150 nan 0.000 0.444 431 R N 0.066 120.592 120.500 0.043 0.000 2.096 431 R HA -0.190 4.150 4.340 -0.000 0.000 0.240 431 R C 1.907 178.227 176.300 0.033 0.000 1.139 431 R CA 2.073 58.196 56.100 0.039 0.000 0.952 431 R CB -0.570 29.756 30.300 0.042 0.000 0.854 431 R HN 0.744 nan 8.270 nan 0.000 0.436 432 N N -0.061 118.659 118.700 0.032 0.000 2.244 432 N HA -0.135 4.605 4.740 -0.000 0.000 0.183 432 N C 0.989 176.512 175.510 0.023 0.000 1.016 432 N CA 1.010 54.077 53.050 0.027 0.000 0.866 432 N CB 0.031 38.535 38.487 0.027 0.000 0.980 432 N HN 0.437 nan 8.380 nan 0.000 0.430 433 E N -0.255 119.959 120.200 0.024 0.000 2.502 433 E HA 0.034 4.384 4.350 -0.000 0.000 0.194 433 E C 0.969 177.581 176.600 0.021 0.000 1.062 433 E CA 0.142 56.554 56.400 0.020 0.000 0.867 433 E CB 0.304 30.016 29.700 0.021 0.000 0.888 433 E HN 0.469 nan 8.360 nan 0.000 0.510 434 G N 1.824 110.637 108.800 0.023 0.000 2.179 434 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.220 434 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.220 434 G C 0.252 175.166 174.900 0.024 0.000 0.990 434 G CA -0.350 44.763 45.100 0.022 0.000 0.646 434 G HN 0.136 nan 8.290 nan 0.000 0.517 435 R N 0.620 121.137 120.500 0.028 0.000 2.679 435 R HA 0.414 4.754 4.340 -0.000 0.000 0.269 435 R C -0.545 175.774 176.300 0.032 0.000 1.076 435 R CA -0.102 56.016 56.100 0.031 0.000 1.160 435 R CB 0.504 30.826 30.300 0.037 0.000 1.054 435 R HN 0.175 nan 8.270 nan 0.000 0.507 436 D N 2.239 122.658 120.400 0.032 0.000 2.359 436 D HA 0.071 4.711 4.640 -0.000 0.000 0.230 436 D C 0.880 177.203 176.300 0.038 0.000 1.118 436 D CA -0.168 53.851 54.000 0.031 0.000 0.844 436 D CB 1.016 41.832 40.800 0.026 0.000 1.059 436 D HN 0.413 nan 8.370 nan 0.000 0.493 437 L N 3.286 124.533 121.223 0.041 0.000 2.093 437 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 437 L C 2.471 179.373 176.870 0.053 0.000 1.085 437 L CA 1.082 55.952 54.840 0.051 0.000 0.755 437 L CB -0.309 41.782 42.059 0.054 0.000 0.904 437 L HN 0.459 nan 8.230 nan 0.000 0.435 438 A N 0.362 123.207 122.820 0.041 0.000 1.908 438 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 438 A C 2.397 180.004 177.584 0.039 0.000 1.181 438 A CA 1.697 53.757 52.037 0.038 0.000 0.627 438 A CB -0.372 18.643 19.000 0.024 0.000 0.818 438 A HN 0.365 nan 8.150 nan 0.000 0.445 439 R N -1.007 119.514 120.500 0.036 0.000 2.156 439 R HA 0.078 4.418 4.340 -0.000 0.000 0.207 439 R C 1.104 177.429 176.300 0.042 0.000 1.040 439 R CA 1.061 57.181 56.100 0.034 0.000 1.013 439 R CB 0.038 30.354 30.300 0.026 0.000 0.931 439 R HN 0.590 nan 8.270 nan 0.000 0.465 440 E N -0.117 120.113 120.200 0.049 0.000 2.501 440 E HA 0.106 4.456 4.350 -0.000 0.000 0.201 440 E C 1.452 178.098 176.600 0.076 0.000 1.016 440 E CA -0.022 56.412 56.400 0.057 0.000 0.920 440 E CB 0.849 30.579 29.700 0.051 0.000 1.023 440 E HN 0.343 nan 8.360 nan 0.000 0.474 441 G N 2.428 111.279 108.800 0.084 0.000 2.553 441 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.218 441 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.218 441 G C 1.316 176.309 174.900 0.156 0.000 1.195 441 G CA 1.334 46.500 45.100 0.111 0.000 0.779 441 G HN 0.250 nan 8.290 nan 0.000 0.577 442 N N -0.287 118.522 118.700 0.182 0.000 2.223 442 N HA -0.076 4.664 4.740 -0.000 0.000 0.185 442 N C 2.229 177.882 175.510 0.238 0.000 1.016 442 N CA 1.422 54.645 53.050 0.288 0.000 0.863 442 N CB -0.150 38.441 38.487 0.174 0.000 0.983 442 N HN 0.275 nan 8.380 nan 0.000 0.429 443 T N 0.988 115.627 114.554 0.140 0.000 2.821 443 T HA -0.003 4.347 4.350 -0.000 0.000 0.267 443 T C 1.935 176.691 174.700 0.094 0.000 1.046 443 T CA 0.666 62.830 62.100 0.107 0.000 1.139 443 T CB -0.106 68.808 68.868 0.077 0.000 0.871 443 T HN 0.181 nan 8.240 nan 0.000 0.454 444 I N 0.826 121.450 120.570 0.090 0.000 2.202 444 I HA -0.135 4.035 4.170 -0.000 0.000 0.242 444 I C 2.197 178.337 176.117 0.038 0.000 1.091 444 I CA 0.934 62.277 61.300 0.071 0.000 1.368 444 I CB -0.320 37.721 38.000 0.069 0.000 1.058 444 I HN 0.160 nan 8.210 nan 0.000 0.410 445 I N 0.579 121.159 120.570 0.017 0.000 2.226 445 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 445 I C 2.669 178.700 176.117 -0.144 0.000 1.100 445 I CA 1.503 62.727 61.300 -0.127 0.000 1.374 445 I CB -1.296 36.546 38.000 -0.262 0.000 1.057 445 I HN 0.242 nan 8.210 nan 0.000 0.413 446 R N 1.437 121.942 120.500 0.008 0.000 2.091 446 R HA -0.183 4.157 4.340 -0.000 0.000 0.238 446 R C 2.154 178.450 176.300 -0.006 0.000 1.136 446 R CA 1.601 57.725 56.100 0.040 0.000 0.959 446 R CB -0.329 30.055 30.300 0.141 0.000 0.856 446 R HN 0.408 nan 8.270 nan 0.000 0.437 447 E N -0.578 119.639 120.200 0.028 0.000 2.085 447 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 447 E C 1.886 178.496 176.600 0.018 0.000 0.994 447 E CA 1.428 57.865 56.400 0.061 0.000 0.801 447 E CB -0.236 29.531 29.700 0.111 0.000 0.743 447 E HN 0.503 nan 8.360 nan 0.000 0.453 448 A N 1.087 123.858 122.820 -0.081 0.000 2.015 448 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 448 A C 2.378 179.488 177.584 -0.790 0.000 1.163 448 A CA 1.815 53.602 52.037 -0.417 0.000 0.646 448 A CB -0.955 17.863 19.000 -0.302 0.000 0.806 448 A HN 0.413 nan 8.150 nan 0.000 0.448 449 T N -2.219 112.076 114.554 -0.432 0.000 3.007 449 T HA -0.090 4.260 4.350 -0.000 0.000 0.270 449 T C 1.559 176.092 174.700 -0.279 0.000 1.107 449 T CA 1.311 63.192 62.100 -0.366 0.000 1.118 449 T CB -0.219 68.513 68.868 -0.227 0.000 0.889 449 T HN 0.353 nan 8.240 nan 0.000 0.506 450 K N 0.802 121.081 120.400 -0.201 0.000 2.288 450 K HA 0.028 4.348 4.320 -0.000 0.000 0.201 450 K C 1.917 178.535 176.600 0.030 0.000 1.048 450 K CA 1.027 57.291 56.287 -0.039 0.000 0.956 450 K CB -0.239 32.304 32.500 0.071 0.000 0.746 450 K HN 0.861 nan 8.250 nan 0.000 0.461 451 W N -0.694 120.606 121.300 0.000 0.000 2.871 451 W HA 0.353 5.013 4.660 -0.000 0.000 0.340 451 W C 0.031 176.554 176.519 0.007 0.000 1.058 451 W CA -0.456 56.893 57.345 0.006 0.000 1.633 451 W CB 0.017 29.478 29.460 0.003 0.000 1.067 451 W HN -0.178 nan 8.180 nan 0.000 0.554 452 S N 3.231 118.589 115.700 -0.569 0.000 2.505 452 S HA 0.371 4.841 4.470 -0.000 0.000 0.280 452 S C -1.382 173.067 174.600 -0.252 0.000 1.197 452 S CA -1.331 56.603 58.200 -0.443 0.000 1.138 452 S CB 1.012 63.693 63.200 -0.864 0.000 1.010 452 S HN -0.290 nan 8.310 nan 0.000 0.480 453 P HA -0.134 nan 4.420 nan 0.000 0.216 453 P C 0.959 178.180 177.300 -0.131 0.000 1.153 453 P CA 1.229 64.348 63.100 0.031 0.000 0.858 453 P CB 0.204 32.058 31.700 0.257 0.000 0.789 454 E N -0.834 119.295 120.200 -0.119 0.000 2.077 454 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 454 E C 1.876 178.311 176.600 -0.276 0.000 0.989 454 E CA 0.808 57.043 56.400 -0.274 0.000 0.800 454 E CB -1.179 28.445 29.700 -0.127 0.000 0.746 454 E HN 0.154 nan 8.360 nan 0.000 0.452 455 L N 0.245 121.297 121.223 -0.285 0.000 2.072 455 L HA 0.050 4.390 4.340 -0.000 0.000 0.205 455 L C 2.036 178.708 176.870 -0.330 0.000 1.079 455 L CA 1.816 56.471 54.840 -0.308 0.000 0.752 455 L CB -0.821 41.006 42.059 -0.386 0.000 0.906 455 L HN 0.098 nan 8.230 nan 0.000 0.436 456 A N -0.108 122.523 122.820 -0.315 0.000 1.917 456 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 456 A C 2.455 179.863 177.584 -0.294 0.000 1.182 456 A CA 2.169 54.052 52.037 -0.256 0.000 0.633 456 A CB -1.270 17.623 19.000 -0.178 0.000 0.819 456 A HN 0.594 nan 8.150 nan 0.000 0.448 457 A N -0.496 122.055 122.820 -0.448 0.000 1.930 457 A HA 0.222 4.542 4.320 -0.000 0.000 0.217 457 A C 2.475 179.657 177.584 -0.670 0.000 1.175 457 A CA 1.915 53.579 52.037 -0.621 0.000 0.627 457 A CB -0.900 17.399 19.000 -1.168 0.000 0.815 457 A HN 1.072 nan 8.150 nan 0.000 0.443 458 A N -1.068 121.413 122.820 -0.565 0.000 1.930 458 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 458 A C 2.285 179.729 177.584 -0.234 0.000 1.175 458 A CA 1.607 53.392 52.037 -0.420 0.000 0.627 458 A CB -1.212 17.778 19.000 -0.017 0.000 0.815 458 A HN 0.571 nan 8.150 nan 0.000 0.443 459 C N -0.526 118.638 119.300 -0.226 0.000 2.429 459 C HA -0.089 4.371 4.460 -0.000 0.000 0.277 459 C C 2.665 177.764 174.990 0.183 0.000 1.262 459 C CA 1.167 60.138 59.018 -0.077 0.000 1.733 459 C CB -1.254 26.332 27.740 -0.257 0.000 2.010 459 C HN 0.689 nan 8.230 nan 0.000 0.483 460 E N 0.205 120.385 120.200 -0.034 0.000 2.058 460 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 460 E C 2.120 178.631 176.600 -0.148 0.000 0.997 460 E CA 1.484 57.846 56.400 -0.063 0.000 0.801 460 E CB -0.242 29.377 29.700 -0.134 0.000 0.746 460 E HN 0.479 nan 8.360 nan 0.000 0.450 461 V N 0.243 119.940 119.914 -0.361 0.000 2.343 461 V HA -0.198 3.922 4.120 -0.000 0.000 0.247 461 V C 1.389 177.211 176.094 -0.453 0.000 1.051 461 V CA 1.324 63.278 62.300 -0.577 0.000 1.036 461 V CB -0.285 30.871 31.823 -1.112 0.000 0.654 461 V HN 0.444 nan 8.190 nan 0.000 0.451 462 W N 0.675 121.922 121.300 -0.088 0.000 2.991 462 W HA 0.247 4.906 4.660 -0.000 0.000 0.391 462 W C 1.927 178.392 176.519 -0.090 0.000 1.054 462 W CA -0.278 56.945 57.345 -0.203 0.000 1.856 462 W CB -0.271 28.870 29.460 -0.533 0.000 1.132 462 W HN 0.433 nan 8.180 nan 0.000 0.601 463 K N 0.503 121.022 120.400 0.197 0.000 2.218 463 K HA -0.196 4.124 4.320 -0.000 0.000 0.205 463 K C 0.748 177.217 176.600 -0.219 0.000 1.046 463 K CA 1.438 57.666 56.287 -0.098 0.000 0.933 463 K CB -0.105 32.337 32.500 -0.097 0.000 0.728 463 K HN -0.053 nan 8.250 nan 0.000 0.454 464 E N 0.682 120.819 120.200 -0.104 0.000 2.474 464 E HA 0.119 4.469 4.350 -0.000 0.000 0.195 464 E C 0.143 176.694 176.600 -0.082 0.000 1.039 464 E CA 0.030 56.362 56.400 -0.113 0.000 0.881 464 E CB 0.312 29.958 29.700 -0.090 0.000 0.970 464 E HN 0.294 nan 8.360 nan 0.000 0.486 465 I N 1.752 122.307 120.570 -0.026 0.000 2.325 465 I HA 0.252 4.422 4.170 -0.000 0.000 0.291 465 I C 0.291 176.425 176.117 0.028 0.000 1.019 465 I CA -0.221 61.065 61.300 -0.023 0.000 1.302 465 I CB 0.531 38.551 38.000 0.033 0.000 1.401 465 I HN -0.278 nan 8.210 nan 0.000 0.485 466 K N 5.557 125.839 120.400 -0.195 0.000 2.508 466 K HA 0.581 4.901 4.320 -0.000 0.000 0.260 466 K C -1.559 174.824 176.600 -0.362 0.000 0.949 466 K CA -0.571 55.656 56.287 -0.101 0.000 0.834 466 K CB 2.658 35.133 32.500 -0.041 0.000 1.365 466 K HN 0.171 nan 8.250 nan 0.000 0.437 467 F N 1.643 121.698 119.950 0.174 0.000 2.430 467 F HA 0.321 4.848 4.527 0.000 0.000 0.362 467 F C -0.348 175.530 175.800 0.129 0.000 1.103 467 F CA -0.543 57.569 58.000 0.187 0.000 1.045 467 F CB 1.508 40.644 39.000 0.226 0.000 1.276 467 F HN 0.294 nan 8.300 nan 0.000 0.444 468 E N 3.797 124.022 120.200 0.041 0.000 2.279 468 E HA 0.553 4.903 4.350 -0.000 0.000 0.252 468 E C -1.342 175.083 176.600 -0.293 0.000 0.894 468 E CA -0.438 55.939 56.400 -0.039 0.000 0.785 468 E CB 1.708 31.361 29.700 -0.077 0.000 1.237 468 E HN 0.343 nan 8.360 nan 0.000 0.418 469 F N 1.426 121.424 119.950 0.080 0.000 2.626 469 F HA 0.443 4.970 4.527 0.000 0.000 0.311 469 F C -1.961 173.870 175.800 0.051 0.000 1.088 469 F CA -2.086 55.952 58.000 0.063 0.000 0.949 469 F CB 0.976 40.018 39.000 0.071 0.000 1.322 469 F HN 0.256 nan 8.300 nan 0.000 0.461 470 P HA 0.369 nan 4.420 nan 0.000 0.271 470 P C -0.938 176.445 177.300 0.138 0.000 1.220 470 P CA -0.297 62.892 63.100 0.150 0.000 0.768 470 P CB 0.531 32.302 31.700 0.119 0.000 0.848 471 A N 3.416 126.300 122.820 0.107 0.000 2.340 471 A HA 0.343 4.663 4.320 -0.000 0.000 0.268 471 A C 1.184 178.814 177.584 0.076 0.000 1.100 471 A CA -0.384 51.709 52.037 0.092 0.000 0.803 471 A CB 0.234 19.287 19.000 0.089 0.000 1.043 471 A HN 0.491 nan 8.150 nan 0.000 0.488 472 M N 0.333 119.972 119.600 0.064 0.000 2.486 472 M HA 0.082 4.562 4.480 -0.000 0.000 0.264 472 M C 0.056 176.401 176.300 0.074 0.000 1.125 472 M CA 0.818 56.152 55.300 0.057 0.000 1.144 472 M CB -1.014 31.608 32.600 0.036 0.000 1.353 472 M HN 0.785 nan 8.290 nan 0.000 0.466 473 D N 2.155 122.610 120.400 0.091 0.000 2.477 473 D HA 0.267 4.907 4.640 -0.000 0.000 0.239 473 D C -0.626 175.761 176.300 0.145 0.000 1.102 473 D CA -0.001 54.076 54.000 0.129 0.000 0.901 473 D CB 0.870 41.754 40.800 0.141 0.000 1.026 473 D HN 0.146 nan 8.370 nan 0.000 0.515 474 T N -0.630 114.000 114.554 0.126 0.000 2.932 474 T HA 0.569 4.919 4.350 -0.000 0.000 0.289 474 T C 0.556 175.321 174.700 0.109 0.000 1.039 474 T CA -0.837 61.328 62.100 0.108 0.000 1.024 474 T CB 1.144 70.058 68.868 0.077 0.000 1.090 474 T HN 0.027 nan 8.240 nan 0.000 0.496 475 V N 0.000 119.965 119.914 0.085 0.000 2.409 475 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 475 V CA 0.000 62.340 62.300 0.066 0.000 1.235 475 V CB 0.000 31.840 31.823 0.029 0.000 1.184 475 V HN 0.000 nan 8.190 nan 0.000 0.556