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 1dku_1_B DATA FIRST_RESID 8 DATA SEQUENCE NLKIFSLNSN PELAKEIADI VGVQLGKCSV TRFSDGEVQI NIEESIRGCD DATA SEQUENCE CYIIQSTSDP VNEHIMELLI MVDALKRASA KTINIVIPYY GYARQDRKAR DATA SEQUENCE SREPITAKLF ANLLETAGAT RVIALDLHAP QIQGFFDIPI DHLMGVPILG DATA SEQUENCE EYFEGKNLED IVIVSPDHGG VTRARKLADR LKAPIAIIDK RXXXXXXXXX DATA SEQUENCE MNIVGNIEGK TAILIDDIID TAGTITLAAN ALVENGAKEV YACCTHPVLS DATA SEQUENCE GPAVERINNS TIKELVVTNS IKLXXXXKIE RFKQLSVGPL LAEAIIRVHE DATA SEQUENCE QQSVSYLF 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 8 N HA 0.000 nan 4.740 nan 0.000 0.220 8 N C 0.000 175.582 175.510 0.121 0.000 1.280 8 N CA 0.000 53.124 53.050 0.124 0.000 0.885 8 N CB 0.000 38.522 38.487 0.058 0.000 1.341 9 L N 0.530 121.749 121.223 -0.007 0.000 2.264 9 L HA 0.587 4.927 4.340 -0.000 0.000 0.289 9 L C -0.781 176.047 176.870 -0.070 0.000 1.044 9 L CA -0.032 54.742 54.840 -0.110 0.000 0.807 9 L CB 0.281 42.043 42.059 -0.495 0.000 1.192 9 L HN 0.371 nan 8.230 nan 0.000 0.425 10 K N 6.843 127.241 120.400 -0.003 0.000 2.292 10 K HA 0.551 4.871 4.320 -0.000 0.000 0.257 10 K C -1.144 175.359 176.600 -0.161 0.000 0.940 10 K CA -0.408 55.787 56.287 -0.154 0.000 0.811 10 K CB 2.326 34.733 32.500 -0.156 0.000 1.120 10 K HN 0.637 nan 8.250 nan 0.000 0.428 11 I N 3.283 123.655 120.570 -0.330 0.000 2.436 11 I HA 0.384 4.554 4.170 -0.000 0.000 0.289 11 I C -0.816 175.081 176.117 -0.367 0.000 1.010 11 I CA -0.823 60.369 61.300 -0.180 0.000 1.098 11 I CB 0.910 38.848 38.000 -0.103 0.000 1.266 11 I HN 0.350 nan 8.210 nan 0.000 0.434 12 F N 3.572 123.562 119.950 0.065 0.000 2.508 12 F HA 0.490 5.017 4.527 -0.000 0.000 0.325 12 F C 0.470 176.294 175.800 0.040 0.000 1.090 12 F CA -0.681 57.345 58.000 0.043 0.000 0.945 12 F CB 2.069 41.093 39.000 0.039 0.000 1.156 12 F HN 0.268 nan 8.300 nan 0.000 0.463 13 S N 3.384 119.212 115.700 0.214 0.000 2.472 13 S HA 0.763 5.233 4.470 -0.000 0.000 0.303 13 S C -0.470 174.201 174.600 0.119 0.000 1.099 13 S CA -0.544 57.732 58.200 0.126 0.000 1.077 13 S CB 0.569 63.812 63.200 0.071 0.000 1.031 13 S HN 0.608 nan 8.310 nan 0.000 0.487 14 L N 3.079 124.351 121.223 0.082 0.000 2.970 14 L HA 0.509 4.849 4.340 -0.000 0.000 0.214 14 L C 1.283 178.178 176.870 0.041 0.000 1.317 14 L CA -1.004 53.876 54.840 0.066 0.000 1.187 14 L CB 0.149 42.247 42.059 0.064 0.000 2.155 14 L HN 0.609 nan 8.230 nan 0.000 0.554 15 N N -0.321 118.411 118.700 0.053 0.000 2.422 15 N HA -0.072 4.668 4.740 -0.000 0.000 0.181 15 N C 1.700 177.192 175.510 -0.029 0.000 1.080 15 N CA 0.958 54.043 53.050 0.059 0.000 0.893 15 N CB 0.074 38.650 38.487 0.148 0.000 0.973 15 N HN 0.528 nan 8.380 nan 0.000 0.456 16 S N 0.439 115.963 115.700 -0.292 0.000 2.356 16 S HA -0.053 4.417 4.470 -0.000 0.000 0.223 16 S C 0.951 175.442 174.600 -0.182 0.000 1.032 16 S CA 0.838 58.721 58.200 -0.528 0.000 1.005 16 S CB -0.011 62.724 63.200 -0.775 0.000 0.867 16 S HN 0.125 nan 8.310 nan 0.000 0.449 17 N N 1.121 119.762 118.700 -0.100 0.000 2.716 17 N HA 0.394 5.134 4.740 -0.000 0.000 0.245 17 N C -2.744 172.758 175.510 -0.013 0.000 1.495 17 N CA -1.780 51.245 53.050 -0.040 0.000 0.759 17 N CB 1.264 39.735 38.487 -0.027 0.000 1.261 17 N HN -0.003 nan 8.380 nan 0.000 0.515 18 P HA -0.093 nan 4.420 nan 0.000 0.216 18 P C 0.835 178.137 177.300 0.004 0.000 1.153 18 P CA 1.296 64.400 63.100 0.006 0.000 0.858 18 P CB 0.681 32.387 31.700 0.010 0.000 0.789 19 E N -0.774 119.427 120.200 0.002 0.000 2.031 19 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 19 E C 1.871 178.470 176.600 -0.001 0.000 0.994 19 E CA 0.919 57.319 56.400 0.001 0.000 0.800 19 E CB -1.063 28.638 29.700 0.002 0.000 0.752 19 E HN 0.064 nan 8.360 nan 0.000 0.447 20 L N 0.685 121.909 121.223 0.002 0.000 2.079 20 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 20 L C 2.041 178.913 176.870 0.003 0.000 1.081 20 L CA 2.137 56.979 54.840 0.003 0.000 0.752 20 L CB -0.830 41.236 42.059 0.011 0.000 0.896 20 L HN 0.126 nan 8.230 nan 0.000 0.433 21 A N -0.450 122.374 122.820 0.006 0.000 1.858 21 A HA -0.270 4.050 4.320 -0.000 0.000 0.216 21 A C 2.377 179.957 177.584 -0.006 0.000 1.190 21 A CA 2.011 54.053 52.037 0.008 0.000 0.617 21 A CB -0.704 18.308 19.000 0.020 0.000 0.827 21 A HN 0.436 nan 8.150 nan 0.000 0.443 22 K N 0.255 120.651 120.400 -0.007 0.000 2.063 22 K HA -0.194 4.126 4.320 -0.000 0.000 0.208 22 K C 1.971 178.559 176.600 -0.020 0.000 1.048 22 K CA 2.113 58.391 56.287 -0.015 0.000 0.928 22 K CB -0.313 32.181 32.500 -0.009 0.000 0.713 22 K HN 0.629 nan 8.250 nan 0.000 0.442 23 E N -0.140 120.051 120.200 -0.016 0.000 2.077 23 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 23 E C 1.923 178.507 176.600 -0.025 0.000 0.989 23 E CA 1.448 57.837 56.400 -0.019 0.000 0.800 23 E CB -0.103 29.588 29.700 -0.015 0.000 0.746 23 E HN 0.409 nan 8.360 nan 0.000 0.452 24 I N 0.823 121.379 120.570 -0.024 0.000 2.315 24 I HA -0.212 3.958 4.170 -0.000 0.000 0.248 24 I C 2.533 178.619 176.117 -0.052 0.000 1.117 24 I CA 0.897 62.176 61.300 -0.034 0.000 1.404 24 I CB -0.247 37.737 38.000 -0.025 0.000 1.071 24 I HN 0.163 nan 8.210 nan 0.000 0.419 25 A N 0.517 123.307 122.820 -0.051 0.000 1.898 25 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 25 A C 1.974 179.521 177.584 -0.062 0.000 1.181 25 A CA 1.824 53.820 52.037 -0.067 0.000 0.620 25 A CB -0.486 18.475 19.000 -0.065 0.000 0.819 25 A HN 0.326 nan 8.150 nan 0.000 0.442 26 D N 0.180 120.553 120.400 -0.046 0.000 2.097 26 D HA -0.104 4.536 4.640 -0.000 0.000 0.197 26 D C 1.902 178.178 176.300 -0.041 0.000 0.984 26 D CA 1.193 55.169 54.000 -0.040 0.000 0.826 26 D CB -0.384 40.398 40.800 -0.031 0.000 0.973 26 D HN 0.502 nan 8.370 nan 0.000 0.460 27 I N 0.845 121.391 120.570 -0.040 0.000 2.264 27 I HA -0.218 3.952 4.170 -0.000 0.000 0.248 27 I C 2.321 178.410 176.117 -0.046 0.000 1.111 27 I CA 0.639 61.917 61.300 -0.037 0.000 1.382 27 I CB -0.069 37.910 38.000 -0.034 0.000 1.060 27 I HN -0.112 nan 8.210 nan 0.000 0.418 28 V N 0.431 120.307 119.914 -0.062 0.000 2.667 28 V HA 0.007 4.127 4.120 -0.000 0.000 0.252 28 V C 1.611 177.662 176.094 -0.071 0.000 1.065 28 V CA 1.427 63.679 62.300 -0.079 0.000 1.083 28 V CB -0.635 31.116 31.823 -0.120 0.000 0.692 28 V HN 0.736 nan 8.190 nan 0.000 0.468 29 G N 0.506 109.269 108.800 -0.063 0.000 2.131 29 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.201 29 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.201 29 G C -0.010 174.854 174.900 -0.060 0.000 1.000 29 G CA 0.107 45.174 45.100 -0.054 0.000 0.680 29 G HN 1.103 nan 8.290 nan 0.000 0.514 30 V N -4.021 115.849 119.914 -0.074 0.000 3.102 30 V HA 0.897 5.017 4.120 -0.000 0.000 0.312 30 V C -0.128 175.919 176.094 -0.079 0.000 1.135 30 V CA -1.523 60.729 62.300 -0.081 0.000 1.022 30 V CB 2.010 33.768 31.823 -0.109 0.000 1.056 30 V HN 0.153 nan 8.190 nan 0.000 0.436 31 Q N 1.511 121.264 119.800 -0.078 0.000 2.259 31 Q HA 0.546 4.886 4.340 -0.000 0.000 0.249 31 Q C -0.370 175.566 176.000 -0.107 0.000 0.914 31 Q CA -0.397 55.362 55.803 -0.074 0.000 0.904 31 Q CB 1.833 30.535 28.738 -0.059 0.000 1.213 31 Q HN 0.766 nan 8.270 nan 0.000 0.428 32 L N 0.921 122.086 121.223 -0.097 0.000 2.483 32 L HA 0.092 4.432 4.340 -0.000 0.000 0.276 32 L C 1.104 177.867 176.870 -0.179 0.000 1.213 32 L CA 0.006 54.768 54.840 -0.129 0.000 0.843 32 L CB 0.212 42.232 42.059 -0.064 0.000 1.107 32 L HN 0.666 nan 8.230 nan 0.000 0.487 33 G N 2.259 110.837 108.800 -0.369 0.000 2.491 33 G HA2 0.075 4.035 3.960 -0.000 0.000 0.238 33 G HA3 0.075 4.035 3.960 -0.000 0.000 0.238 33 G C -0.330 174.560 174.900 -0.016 0.000 1.277 33 G CA -0.489 44.334 45.100 -0.461 0.000 0.851 33 G HN 0.585 nan 8.290 nan 0.000 0.573 34 K N 0.282 120.737 120.400 0.093 0.000 2.276 34 K HA 0.469 4.789 4.320 -0.000 0.000 0.285 34 K C -0.214 176.521 176.600 0.224 0.000 1.062 34 K CA -0.122 56.243 56.287 0.130 0.000 0.918 34 K CB 0.532 33.084 32.500 0.085 0.000 1.055 34 K HN 0.745 nan 8.250 nan 0.000 0.477 35 C N -0.217 119.185 119.300 0.171 0.000 3.274 35 C HA 0.338 4.798 4.460 -0.000 0.000 0.415 35 C C -0.920 174.112 174.990 0.070 0.000 1.009 35 C CA -1.168 57.923 59.018 0.123 0.000 1.163 35 C CB 0.759 28.579 27.740 0.134 0.000 1.549 35 C HN 0.643 nan 8.230 nan 0.000 0.599 36 S N 1.685 117.399 115.700 0.023 0.000 2.442 36 S HA 0.661 5.131 4.470 -0.000 0.000 0.297 36 S C -0.236 174.352 174.600 -0.021 0.000 1.131 36 S CA -0.553 57.646 58.200 -0.000 0.000 1.092 36 S CB 1.525 64.710 63.200 -0.024 0.000 0.998 36 S HN 0.951 nan 8.310 nan 0.000 0.478 37 V N 4.345 124.252 119.914 -0.012 0.000 2.220 37 V HA 0.289 4.409 4.120 -0.000 0.000 0.265 37 V C 0.675 176.749 176.094 -0.034 0.000 1.078 37 V CA -0.454 61.834 62.300 -0.019 0.000 0.872 37 V CB -0.133 31.697 31.823 0.012 0.000 1.121 37 V HN 1.063 nan 8.190 nan 0.000 0.460 38 T N 1.383 115.885 114.554 -0.086 0.000 2.898 38 T HA 0.656 5.006 4.350 -0.000 0.000 0.283 38 T C -0.087 174.541 174.700 -0.119 0.000 1.059 38 T CA -0.933 61.105 62.100 -0.105 0.000 0.958 38 T CB 1.580 70.360 68.868 -0.148 0.000 1.594 38 T HN 0.294 nan 8.240 nan 0.000 0.598 39 R N -0.177 120.246 120.500 -0.129 0.000 2.532 39 R HA 0.466 4.806 4.340 -0.000 0.000 0.297 39 R C -1.217 175.032 176.300 -0.084 0.000 0.984 39 R CA -0.573 55.487 56.100 -0.066 0.000 0.884 39 R CB 1.305 31.601 30.300 -0.007 0.000 1.182 39 R HN 0.565 nan 8.270 nan 0.000 0.442 40 F N 0.428 120.379 119.950 0.003 0.000 2.480 40 F HA -0.059 4.468 4.527 -0.000 0.000 0.319 40 F C 2.281 178.082 175.800 0.001 0.000 1.230 40 F CA 0.766 58.767 58.000 0.002 0.000 1.285 40 F CB 0.468 39.469 39.000 0.001 0.000 1.208 40 F HN 0.493 nan 8.300 nan 0.000 0.579 41 S N 0.188 116.023 115.700 0.225 0.000 2.420 41 S HA -0.228 4.242 4.470 -0.000 0.000 0.237 41 S C 1.403 176.059 174.600 0.092 0.000 1.023 41 S CA 1.797 60.068 58.200 0.117 0.000 0.991 41 S CB -0.623 62.636 63.200 0.098 0.000 0.792 41 S HN 0.710 nan 8.310 nan 0.000 0.488 42 D N -0.824 119.641 120.400 0.109 0.000 2.319 42 D HA 0.245 4.885 4.640 -0.000 0.000 0.230 42 D C 1.234 177.573 176.300 0.064 0.000 1.094 42 D CA 0.755 54.793 54.000 0.063 0.000 0.856 42 D CB -0.750 40.069 40.800 0.032 0.000 0.915 42 D HN 0.459 nan 8.370 nan 0.000 0.517 43 G N -0.005 108.845 108.800 0.083 0.000 2.179 43 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.260 43 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.260 43 G C 0.012 174.962 174.900 0.082 0.000 0.977 43 G CA 0.109 45.247 45.100 0.064 0.000 0.641 43 G HN 0.470 nan 8.290 nan 0.000 0.533 44 E N -0.104 120.175 120.200 0.131 0.000 2.354 44 E HA 0.425 4.775 4.350 -0.000 0.000 0.269 44 E C 0.446 177.172 176.600 0.211 0.000 1.036 44 E CA -0.553 55.937 56.400 0.150 0.000 0.876 44 E CB 1.628 31.410 29.700 0.136 0.000 1.009 44 E HN 0.088 nan 8.360 nan 0.000 0.416 45 V N 3.595 123.598 119.914 0.149 0.000 2.555 45 V HA 0.007 4.127 4.120 -0.000 0.000 0.286 45 V C 0.234 176.419 176.094 0.151 0.000 1.044 45 V CA 0.231 62.596 62.300 0.108 0.000 1.026 45 V CB 1.016 32.880 31.823 0.067 0.000 0.981 45 V HN 0.607 nan 8.190 nan 0.000 0.480 46 Q N 4.966 124.768 119.800 0.003 0.000 2.333 46 Q HA 0.618 4.958 4.340 -0.000 0.000 0.267 46 Q C -1.473 174.475 176.000 -0.087 0.000 1.012 46 Q CA -0.597 55.148 55.803 -0.098 0.000 0.824 46 Q CB 1.881 30.170 28.738 -0.748 0.000 1.290 46 Q HN 0.715 nan 8.270 nan 0.000 0.449 47 I N 4.029 124.583 120.570 -0.026 0.000 2.447 47 I HA 0.352 4.522 4.170 -0.000 0.000 0.287 47 I C -0.919 175.176 176.117 -0.036 0.000 1.023 47 I CA -0.703 60.575 61.300 -0.037 0.000 1.083 47 I CB 1.806 39.789 38.000 -0.029 0.000 1.245 47 I HN 0.536 nan 8.210 nan 0.000 0.434 48 N N 8.272 126.946 118.700 -0.043 0.000 2.442 48 N HA 0.492 5.232 4.740 -0.000 0.000 0.274 48 N C -0.890 174.607 175.510 -0.021 0.000 1.002 48 N CA -0.480 52.554 53.050 -0.026 0.000 0.910 48 N CB 2.713 41.188 38.487 -0.019 0.000 1.244 48 N HN 0.422 nan 8.380 nan 0.000 0.492 49 I N 1.861 122.415 120.570 -0.027 0.000 2.307 49 I HA 0.098 4.268 4.170 -0.000 0.000 0.287 49 I C 0.976 177.119 176.117 0.043 0.000 1.054 49 I CA -0.225 61.068 61.300 -0.012 0.000 1.218 49 I CB 0.734 38.679 38.000 -0.091 0.000 1.398 49 I HN 0.412 nan 8.210 nan 0.000 0.475 50 E N 5.317 125.561 120.200 0.074 0.000 2.512 50 E HA -0.064 4.286 4.350 -0.000 0.000 0.195 50 E C -0.265 176.377 176.600 0.070 0.000 1.083 50 E CA 0.285 56.722 56.400 0.063 0.000 0.873 50 E CB 0.122 29.853 29.700 0.052 0.000 0.897 50 E HN 0.646 nan 8.360 nan 0.000 0.514 51 E N -0.655 119.603 120.200 0.097 0.000 2.356 51 E HA 0.351 4.701 4.350 -0.000 0.000 0.275 51 E C -0.953 175.702 176.600 0.093 0.000 0.904 51 E CA -0.859 55.593 56.400 0.086 0.000 0.757 51 E CB 1.476 31.229 29.700 0.089 0.000 1.232 51 E HN -0.153 nan 8.360 nan 0.000 0.442 52 S N 1.237 116.978 115.700 0.068 0.000 2.560 52 S HA 0.129 4.599 4.470 -0.000 0.000 0.284 52 S C 0.544 175.195 174.600 0.085 0.000 1.327 52 S CA -0.236 58.002 58.200 0.063 0.000 1.055 52 S CB -0.035 63.193 63.200 0.046 0.000 0.868 52 S HN 0.556 nan 8.310 nan 0.000 0.506 53 I N 1.653 122.275 120.570 0.085 0.000 3.966 53 I HA 0.435 4.605 4.170 -0.000 0.000 0.324 53 I C 0.360 176.523 176.117 0.076 0.000 1.517 53 I CA -0.532 60.833 61.300 0.108 0.000 1.117 53 I CB 0.080 38.180 38.000 0.168 0.000 1.190 53 I HN 0.362 nan 8.210 nan 0.000 0.466 54 R N 2.219 122.752 120.500 0.054 0.000 2.537 54 R HA 0.313 4.653 4.340 -0.000 0.000 0.281 54 R C 1.375 177.703 176.300 0.046 0.000 0.988 54 R CA 1.036 57.161 56.100 0.042 0.000 1.077 54 R CB 0.045 30.365 30.300 0.033 0.000 0.932 54 R HN 0.646 nan 8.270 nan 0.000 0.409 55 G N 1.770 110.596 108.800 0.042 0.000 2.189 55 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.267 55 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.267 55 G C 0.272 175.208 174.900 0.060 0.000 0.975 55 G CA 0.267 45.393 45.100 0.044 0.000 0.644 55 G HN 0.636 nan 8.290 nan 0.000 0.537 56 C N 0.966 120.311 119.300 0.074 0.000 2.443 56 C HA 0.581 5.041 4.460 -0.000 0.000 0.369 56 C C 0.318 175.370 174.990 0.104 0.000 1.241 56 C CA -0.945 58.132 59.018 0.098 0.000 2.413 56 C CB 1.151 28.957 27.740 0.110 0.000 2.451 56 C HN 0.459 nan 8.230 nan 0.000 0.595 57 D N 1.222 121.708 120.400 0.143 0.000 2.359 57 D HA 0.272 4.912 4.640 -0.000 0.000 0.230 57 D C -0.621 175.740 176.300 0.100 0.000 1.118 57 D CA 0.160 54.235 54.000 0.125 0.000 0.844 57 D CB 0.992 41.973 40.800 0.301 0.000 1.059 57 D HN 0.515 nan 8.370 nan 0.000 0.493 58 C N 2.946 122.248 119.300 0.004 0.000 2.358 58 C HA 0.448 4.908 4.460 -0.000 0.000 0.342 58 C C -0.257 174.641 174.990 -0.153 0.000 1.234 58 C CA -0.769 58.309 59.018 0.099 0.000 1.969 58 C CB -0.454 27.424 27.740 0.232 0.000 2.346 58 C HN 0.480 nan 8.230 nan 0.000 0.525 59 Y N 1.911 122.300 120.300 0.149 0.000 2.350 59 Y HA 0.663 5.213 4.550 -0.000 0.000 0.338 59 Y C 0.231 176.231 175.900 0.167 0.000 0.961 59 Y CA -0.620 57.548 58.100 0.113 0.000 1.100 59 Y CB 0.863 39.351 38.460 0.047 0.000 1.179 59 Y HN 0.472 nan 8.280 nan 0.000 0.454 60 I N 4.891 125.598 120.570 0.229 0.000 2.404 60 I HA 0.424 4.594 4.170 -0.000 0.000 0.293 60 I C -0.707 175.514 176.117 0.173 0.000 0.992 60 I CA -0.692 60.738 61.300 0.216 0.000 1.149 60 I CB 1.651 39.737 38.000 0.143 0.000 1.315 60 I HN 0.450 nan 8.210 nan 0.000 0.446 61 I N 5.845 126.506 120.570 0.151 0.000 2.328 61 I HA 0.377 4.546 4.170 -0.000 0.000 0.287 61 I C -0.472 175.691 176.117 0.077 0.000 1.012 61 I CA -0.280 61.086 61.300 0.109 0.000 1.195 61 I CB 1.325 39.376 38.000 0.086 0.000 1.350 61 I HN 0.539 nan 8.210 nan 0.000 0.464 62 Q N 4.522 124.363 119.800 0.069 0.000 2.313 62 Q HA 0.390 4.729 4.340 -0.000 0.000 0.260 62 Q C -1.565 174.449 176.000 0.024 0.000 0.972 62 Q CA -0.313 55.505 55.803 0.025 0.000 0.886 62 Q CB 2.111 30.874 28.738 0.042 0.000 1.373 62 Q HN 0.594 nan 8.270 nan 0.000 0.416 63 S N 1.562 117.249 115.700 -0.021 0.000 2.525 63 S HA 0.412 4.882 4.470 -0.000 0.000 0.278 63 S C -0.268 174.323 174.600 -0.014 0.000 1.234 63 S CA -0.228 57.992 58.200 0.032 0.000 1.058 63 S CB 0.874 64.116 63.200 0.070 0.000 0.983 63 S HN 0.616 nan 8.310 nan 0.000 0.495 64 T N 0.389 114.938 114.554 -0.009 0.000 3.540 64 T HA 0.359 4.709 4.350 -0.000 0.000 0.269 64 T C 0.426 175.191 174.700 0.108 0.000 1.481 64 T CA -0.781 61.302 62.100 -0.029 0.000 1.224 64 T CB -0.630 68.068 68.868 -0.283 0.000 1.192 64 T HN 0.444 nan 8.240 nan 0.000 0.756 65 S N 0.376 116.218 115.700 0.236 0.000 2.758 65 S HA 0.466 4.936 4.470 -0.000 0.000 0.292 65 S C -0.195 174.553 174.600 0.246 0.000 1.131 65 S CA -0.963 57.385 58.200 0.247 0.000 0.997 65 S CB 0.701 63.962 63.200 0.101 0.000 1.111 65 S HN 0.495 nan 8.310 nan 0.000 0.552 66 D N 2.244 122.709 120.400 0.107 0.000 2.586 66 D HA 0.145 4.785 4.640 -0.000 0.000 0.234 66 D C -2.020 174.324 176.300 0.072 0.000 1.132 66 D CA -0.545 53.483 54.000 0.047 0.000 0.860 66 D CB 0.310 41.108 40.800 -0.003 0.000 1.159 66 D HN 0.321 nan 8.370 nan 0.000 0.490 67 P HA 0.004 nan 4.420 nan 0.000 0.287 67 P C 0.808 178.014 177.300 -0.158 0.000 1.307 67 P CA -0.478 62.537 63.100 -0.142 0.000 0.777 67 P CB 1.723 33.320 31.700 -0.172 0.000 0.883 68 V N 4.474 124.348 119.914 -0.067 0.000 2.282 68 V HA -0.286 3.834 4.120 -0.000 0.000 0.249 68 V C 1.745 177.833 176.094 -0.009 0.000 1.057 68 V CA 2.189 64.460 62.300 -0.047 0.000 1.032 68 V CB -0.839 30.874 31.823 -0.185 0.000 0.645 68 V HN 0.408 nan 8.190 nan 0.000 0.447 69 N N -0.038 118.668 118.700 0.009 0.000 2.309 69 N HA -0.108 4.632 4.740 -0.000 0.000 0.182 69 N C 1.749 177.262 175.510 0.006 0.000 1.018 69 N CA 1.470 54.552 53.050 0.053 0.000 0.876 69 N CB -0.292 38.234 38.487 0.065 0.000 0.972 69 N HN 0.633 nan 8.380 nan 0.000 0.434 70 E N 0.301 120.453 120.200 -0.079 0.000 2.076 70 E HA -0.072 4.278 4.350 -0.000 0.000 0.190 70 E C 1.664 178.232 176.600 -0.053 0.000 0.979 70 E CA 0.715 57.053 56.400 -0.104 0.000 0.807 70 E CB -0.428 29.142 29.700 -0.217 0.000 0.761 70 E HN 0.608 nan 8.360 nan 0.000 0.454 71 H N 0.518 119.599 119.070 0.018 0.000 2.423 71 H HA 0.018 4.574 4.556 -0.000 0.000 0.297 71 H C 2.253 177.599 175.328 0.031 0.000 1.075 71 H CA 0.773 56.832 56.048 0.019 0.000 1.342 71 H CB 0.096 29.861 29.762 0.006 0.000 1.395 71 H HN 0.053 nan 8.280 nan 0.000 0.530 72 I N 0.075 120.723 120.570 0.131 0.000 2.179 72 I HA -0.268 3.902 4.170 -0.000 0.000 0.242 72 I C 1.991 178.198 176.117 0.150 0.000 1.088 72 I CA 0.842 62.222 61.300 0.133 0.000 1.357 72 I CB -0.041 38.019 38.000 0.100 0.000 1.051 72 I HN 0.329 nan 8.210 nan 0.000 0.409 73 M N 0.393 120.055 119.600 0.103 0.000 2.132 73 M HA -0.186 4.294 4.480 -0.000 0.000 0.263 73 M C 2.258 178.605 176.300 0.079 0.000 1.065 73 M CA 1.738 57.088 55.300 0.082 0.000 1.122 73 M CB -1.191 31.442 32.600 0.055 0.000 1.365 73 M HN 0.362 nan 8.290 nan 0.000 0.411 74 E N -0.013 120.238 120.200 0.085 0.000 2.204 74 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 74 E C 2.029 178.675 176.600 0.077 0.000 0.989 74 E CA 0.876 57.322 56.400 0.077 0.000 0.824 74 E CB -0.624 29.127 29.700 0.085 0.000 0.756 74 E HN 0.341 nan 8.360 nan 0.000 0.477 75 L N 1.191 122.477 121.223 0.105 0.000 2.027 75 L HA -0.064 4.276 4.340 -0.000 0.000 0.206 75 L C 2.208 179.125 176.870 0.078 0.000 1.074 75 L CA 1.498 56.400 54.840 0.103 0.000 0.745 75 L CB -0.344 41.809 42.059 0.156 0.000 0.898 75 L HN 0.170 nan 8.230 nan 0.000 0.433 76 L N -0.793 120.483 121.223 0.090 0.000 2.046 76 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 76 L C 2.569 179.456 176.870 0.028 0.000 1.077 76 L CA 1.575 56.447 54.840 0.054 0.000 0.747 76 L CB -0.574 41.520 42.059 0.059 0.000 0.896 76 L HN 0.289 nan 8.230 nan 0.000 0.432 77 I N -0.778 119.812 120.570 0.033 0.000 2.286 77 I HA -0.321 3.849 4.170 -0.000 0.000 0.248 77 I C 2.605 178.721 176.117 -0.003 0.000 1.115 77 I CA 1.199 62.511 61.300 0.019 0.000 1.392 77 I CB -0.135 37.883 38.000 0.031 0.000 1.065 77 I HN 0.315 nan 8.210 nan 0.000 0.418 78 M N 0.661 120.256 119.600 -0.008 0.000 2.117 78 M HA -0.135 4.345 4.480 -0.000 0.000 0.262 78 M C 2.129 178.392 176.300 -0.062 0.000 1.065 78 M CA 1.862 57.130 55.300 -0.053 0.000 1.114 78 M CB -0.342 32.226 32.600 -0.054 0.000 1.361 78 M HN -0.027 nan 8.290 nan 0.000 0.408 79 V N 0.648 120.544 119.914 -0.029 0.000 2.332 79 V HA -0.311 3.808 4.120 -0.000 0.000 0.248 79 V C 2.061 178.136 176.094 -0.032 0.000 1.055 79 V CA 2.409 64.692 62.300 -0.029 0.000 1.038 79 V CB -1.136 30.680 31.823 -0.011 0.000 0.651 79 V HN 0.600 nan 8.190 nan 0.000 0.450 80 D N -0.093 120.293 120.400 -0.023 0.000 2.117 80 D HA -0.140 4.500 4.640 -0.000 0.000 0.197 80 D C 2.119 178.402 176.300 -0.028 0.000 0.987 80 D CA 1.398 55.386 54.000 -0.020 0.000 0.829 80 D CB -0.155 40.638 40.800 -0.011 0.000 0.961 80 D HN 0.385 nan 8.370 nan 0.000 0.460 81 A N 0.165 122.962 122.820 -0.040 0.000 1.883 81 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 81 A C 2.370 179.917 177.584 -0.062 0.000 1.186 81 A CA 1.206 53.213 52.037 -0.050 0.000 0.624 81 A CB -0.897 18.060 19.000 -0.071 0.000 0.822 81 A HN 0.370 nan 8.150 nan 0.000 0.444 82 L N -0.762 120.411 121.223 -0.083 0.000 2.046 82 L HA -0.188 4.151 4.340 -0.000 0.000 0.208 82 L C 2.652 179.500 176.870 -0.036 0.000 1.077 82 L CA 1.870 56.666 54.840 -0.075 0.000 0.747 82 L CB -0.490 41.514 42.059 -0.091 0.000 0.896 82 L HN 0.475 nan 8.230 nan 0.000 0.432 83 K N 0.690 121.072 120.400 -0.030 0.000 2.026 83 K HA -0.177 4.143 4.320 -0.000 0.000 0.208 83 K C 2.214 178.806 176.600 -0.013 0.000 1.048 83 K CA 1.440 57.717 56.287 -0.018 0.000 0.929 83 K CB 0.034 32.524 32.500 -0.017 0.000 0.713 83 K HN 0.228 nan 8.250 nan 0.000 0.439 84 R N -0.507 119.985 120.500 -0.015 0.000 2.236 84 R HA 0.023 4.363 4.340 -0.000 0.000 0.208 84 R C 1.668 177.964 176.300 -0.007 0.000 1.036 84 R CA 0.689 56.784 56.100 -0.009 0.000 1.001 84 R CB 0.106 30.401 30.300 -0.009 0.000 0.896 84 R HN 0.155 nan 8.270 nan 0.000 0.464 85 A N 0.324 123.138 122.820 -0.010 0.000 2.307 85 A HA 0.134 4.454 4.320 -0.000 0.000 0.218 85 A C 0.547 178.134 177.584 0.005 0.000 1.228 85 A CA -0.009 52.025 52.037 -0.004 0.000 0.857 85 A CB 0.242 19.235 19.000 -0.012 0.000 0.897 85 A HN 0.140 nan 8.150 nan 0.000 0.495 86 S N -2.009 113.694 115.700 0.004 0.000 3.593 86 S HA -0.152 4.318 4.470 -0.000 0.000 0.301 86 S C 0.617 175.228 174.600 0.017 0.000 1.209 86 S CA 0.291 58.498 58.200 0.010 0.000 0.878 86 S CB -2.327 60.881 63.200 0.014 0.000 1.000 86 S HN 1.819 nan 8.310 nan 0.000 0.578 87 A N 0.742 123.572 122.820 0.016 0.000 2.555 87 A HA 0.312 4.632 4.320 -0.000 0.000 0.233 87 A C 1.236 178.832 177.584 0.020 0.000 1.060 87 A CA 1.044 53.098 52.037 0.027 0.000 0.759 87 A CB 0.175 19.187 19.000 0.019 0.000 0.995 87 A HN 0.495 nan 8.150 nan 0.000 0.506 88 K N -0.102 120.315 120.400 0.029 0.000 2.044 88 K HA -0.026 4.294 4.320 -0.000 0.000 0.204 88 K C 0.604 177.209 176.600 0.007 0.000 1.049 88 K CA 1.662 57.963 56.287 0.022 0.000 0.945 88 K CB -0.009 32.512 32.500 0.035 0.000 0.724 88 K HN 0.942 nan 8.250 nan 0.000 0.440 89 T N -2.014 112.537 114.554 -0.005 0.000 2.903 89 T HA 0.557 4.907 4.350 -0.000 0.000 0.299 89 T C -0.459 174.196 174.700 -0.075 0.000 1.093 89 T CA -0.955 61.122 62.100 -0.039 0.000 1.002 89 T CB 1.745 70.584 68.868 -0.050 0.000 1.127 89 T HN 0.014 nan 8.240 nan 0.000 0.488 90 I N 2.670 123.187 120.570 -0.088 0.000 2.493 90 I HA 0.327 4.497 4.170 -0.000 0.000 0.279 90 I C -0.736 175.305 176.117 -0.127 0.000 1.045 90 I CA -0.916 60.328 61.300 -0.093 0.000 1.106 90 I CB 1.277 39.250 38.000 -0.045 0.000 1.216 90 I HN 0.587 nan 8.210 nan 0.000 0.459 91 N N 7.510 126.061 118.700 -0.248 0.000 2.425 91 N HA 0.446 5.186 4.740 -0.000 0.000 0.268 91 N C -0.636 174.838 175.510 -0.060 0.000 0.991 91 N CA -0.530 52.383 53.050 -0.230 0.000 0.931 91 N CB 2.457 40.584 38.487 -0.600 0.000 1.130 91 N HN 0.361 nan 8.380 nan 0.000 0.493 92 I N 2.195 122.773 120.570 0.013 0.000 2.315 92 I HA 0.256 4.426 4.170 -0.000 0.000 0.291 92 I C 0.188 176.371 176.117 0.110 0.000 1.006 92 I CA -0.790 60.553 61.300 0.072 0.000 1.265 92 I CB 0.937 38.978 38.000 0.068 0.000 1.387 92 I HN 0.054 nan 8.210 nan 0.000 0.475 93 V N 7.721 127.720 119.914 0.142 0.000 2.328 93 V HA 0.412 4.532 4.120 -0.000 0.000 0.278 93 V C 0.284 176.456 176.094 0.131 0.000 1.021 93 V CA -0.393 61.993 62.300 0.143 0.000 0.838 93 V CB 1.439 33.352 31.823 0.151 0.000 0.999 93 V HN 0.452 nan 8.190 nan 0.000 0.447 94 I N 7.180 127.834 120.570 0.140 0.000 2.388 94 I HA 0.288 4.458 4.170 -0.000 0.000 0.281 94 I C -1.767 174.449 176.117 0.164 0.000 1.046 94 I CA -1.751 59.640 61.300 0.151 0.000 1.187 94 I CB 1.919 40.039 38.000 0.201 0.000 1.351 94 I HN 0.402 nan 8.210 nan 0.000 0.472 95 P HA -0.144 nan 4.420 nan 0.000 0.217 95 P C -0.450 177.029 177.300 0.299 0.000 1.151 95 P CA 1.258 64.481 63.100 0.205 0.000 0.828 95 P CB 0.125 31.923 31.700 0.164 0.000 0.788 96 Y N -1.037 119.302 120.300 0.064 0.000 2.346 96 Y HA 0.440 4.989 4.550 -0.000 0.000 0.332 96 Y C -1.443 174.440 175.900 -0.027 0.000 0.985 96 Y CA -1.893 56.156 58.100 -0.086 0.000 1.112 96 Y CB 0.751 39.140 38.460 -0.118 0.000 1.170 96 Y HN -0.226 nan 8.280 nan 0.000 0.447 97 Y N 6.338 126.170 120.300 -0.780 0.000 2.594 97 Y HA 0.544 5.094 4.550 -0.000 0.000 0.342 97 Y C 0.634 176.009 175.900 -0.875 0.000 1.010 97 Y CA -0.687 57.062 58.100 -0.585 0.000 1.270 97 Y CB 0.298 38.612 38.460 -0.244 0.000 1.125 97 Y HN 0.852 nan 8.280 nan 0.000 0.513 98 G N 3.175 111.533 108.800 -0.737 0.000 2.614 98 G HA2 0.048 4.008 3.960 -0.000 0.000 0.239 98 G HA3 0.048 4.008 3.960 -0.000 0.000 0.239 98 G C -0.641 174.105 174.900 -0.256 0.000 1.240 98 G CA 0.101 44.871 45.100 -0.550 0.000 0.842 98 G HN 0.894 nan 8.290 nan 0.000 0.584 99 Y N -1.218 119.003 120.300 -0.131 0.000 4.907 99 Y HA -0.317 4.233 4.550 -0.000 0.000 0.246 99 Y C 2.336 178.283 175.900 0.078 0.000 0.968 99 Y CA 0.813 58.897 58.100 -0.027 0.000 1.961 99 Y CB -1.695 36.738 38.460 -0.044 0.000 1.487 99 Y HN 0.750 nan 8.280 nan 0.000 0.575 100 A N 0.072 122.999 122.820 0.179 0.000 1.978 100 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 100 A C 2.224 179.848 177.584 0.066 0.000 1.170 100 A CA 1.885 54.013 52.037 0.150 0.000 0.636 100 A CB -0.441 18.580 19.000 0.036 0.000 0.810 100 A HN 0.582 nan 8.150 nan 0.000 0.448 101 R N -1.138 119.311 120.500 -0.086 0.000 2.189 101 R HA -0.062 4.278 4.340 -0.000 0.000 0.223 101 R C 0.933 177.246 176.300 0.023 0.000 1.092 101 R CA 1.045 57.013 56.100 -0.220 0.000 0.989 101 R CB -0.064 30.060 30.300 -0.293 0.000 0.876 101 R HN 0.488 nan 8.270 nan 0.000 0.457 102 Q N 1.535 121.408 119.800 0.122 0.000 3.006 102 Q HA -0.012 4.328 4.340 -0.000 0.000 0.260 102 Q C -0.665 175.454 176.000 0.199 0.000 1.356 102 Q CA -0.041 55.852 55.803 0.151 0.000 1.070 102 Q CB 0.338 29.177 28.738 0.168 0.000 1.507 102 Q HN 0.191 nan 8.270 nan 0.000 0.568 103 D N 0.917 121.447 120.400 0.216 0.000 2.363 103 D HA 0.110 4.750 4.640 -0.000 0.000 0.214 103 D C -0.396 176.070 176.300 0.277 0.000 1.093 103 D CA -0.118 54.069 54.000 0.312 0.000 0.837 103 D CB 0.296 41.254 40.800 0.263 0.000 0.948 103 D HN 0.396 nan 8.370 nan 0.000 0.507 104 R N -1.820 118.779 120.500 0.166 0.000 2.829 104 R HA 0.364 4.703 4.340 -0.000 0.000 0.284 104 R C -1.473 174.869 176.300 0.070 0.000 1.006 104 R CA -0.880 55.287 56.100 0.111 0.000 0.844 104 R CB 0.182 30.553 30.300 0.118 0.000 1.309 104 R HN -0.258 nan 8.270 nan 0.000 0.494 105 K N 0.733 121.160 120.400 0.046 0.000 2.262 105 K HA 0.385 4.705 4.320 -0.000 0.000 0.288 105 K C 0.333 176.957 176.600 0.040 0.000 1.090 105 K CA 0.347 56.654 56.287 0.033 0.000 0.918 105 K CB 1.198 33.709 32.500 0.017 0.000 1.139 105 K HN 0.660 nan 8.250 nan 0.000 0.462 106 A N 4.108 126.955 122.820 0.046 0.000 1.970 106 A HA 0.007 4.327 4.320 -0.000 0.000 0.216 106 A C 0.774 178.379 177.584 0.035 0.000 1.170 106 A CA 1.028 53.093 52.037 0.046 0.000 0.645 106 A CB 0.240 19.273 19.000 0.055 0.000 0.816 106 A HN 0.463 nan 8.150 nan 0.000 0.447 107 R N -1.036 119.482 120.500 0.030 0.000 2.846 107 R HA 0.410 4.750 4.340 -0.000 0.000 0.263 107 R C -0.395 175.915 176.300 0.017 0.000 1.080 107 R CA -0.116 55.998 56.100 0.022 0.000 0.961 107 R CB 0.320 30.633 30.300 0.022 0.000 1.231 107 R HN 0.278 nan 8.270 nan 0.000 0.465 108 S N 0.396 116.104 115.700 0.013 0.000 2.576 108 S HA 0.230 4.700 4.470 -0.000 0.000 0.276 108 S C 0.083 174.688 174.600 0.007 0.000 1.339 108 S CA -0.509 57.696 58.200 0.009 0.000 1.039 108 S CB 0.621 63.825 63.200 0.006 0.000 0.902 108 S HN 0.574 nan 8.310 nan 0.000 0.516 109 R N -0.826 119.675 120.500 0.002 0.000 3.758 109 R HA -0.166 4.174 4.340 -0.000 0.000 0.299 109 R C -0.488 175.812 176.300 -0.000 0.000 1.182 109 R CA 1.064 57.163 56.100 -0.001 0.000 0.809 109 R CB -2.134 28.165 30.300 -0.001 0.000 1.249 109 R HN 0.830 nan 8.270 nan 0.000 0.497 110 E N 1.394 121.597 120.200 0.004 0.000 2.313 110 E HA 0.280 4.630 4.350 -0.000 0.000 0.272 110 E C -1.852 174.746 176.600 -0.003 0.000 1.038 110 E CA -1.865 54.540 56.400 0.008 0.000 0.863 110 E CB 1.059 30.771 29.700 0.020 0.000 1.060 110 E HN -0.005 nan 8.360 nan 0.000 0.402 111 P HA 0.265 nan 4.420 nan 0.000 0.281 111 P C -0.504 176.786 177.300 -0.018 0.000 1.264 111 P CA -0.254 62.828 63.100 -0.029 0.000 0.824 111 P CB 0.980 32.652 31.700 -0.046 0.000 1.092 112 I N 1.413 121.958 120.570 -0.041 0.000 2.523 112 I HA 0.086 4.256 4.170 -0.000 0.000 0.281 112 I C 1.258 177.355 176.117 -0.034 0.000 1.126 112 I CA -0.190 61.097 61.300 -0.023 0.000 1.187 112 I CB 0.211 38.161 38.000 -0.084 0.000 1.478 112 I HN 0.240 nan 8.210 nan 0.000 0.522 113 T N 2.181 116.728 114.554 -0.011 0.000 2.759 113 T HA -0.224 4.126 4.350 -0.000 0.000 0.269 113 T C 2.152 176.897 174.700 0.075 0.000 1.042 113 T CA 1.738 63.792 62.100 -0.076 0.000 1.140 113 T CB 0.083 68.800 68.868 -0.251 0.000 0.864 113 T HN 0.686 nan 8.240 nan 0.000 0.455 114 A N 1.563 124.540 122.820 0.261 0.000 1.978 114 A HA -0.131 4.189 4.320 -0.000 0.000 0.220 114 A C 2.221 180.081 177.584 0.460 0.000 1.170 114 A CA 1.993 54.342 52.037 0.520 0.000 0.636 114 A CB -0.474 18.875 19.000 0.581 0.000 0.810 114 A HN 0.385 nan 8.150 nan 0.000 0.448 115 K N -0.342 120.116 120.400 0.098 0.000 2.103 115 K HA -0.006 4.314 4.320 -0.000 0.000 0.204 115 K C 1.711 178.209 176.600 -0.170 0.000 1.052 115 K CA 1.248 57.365 56.287 -0.283 0.000 0.945 115 K CB -0.551 31.490 32.500 -0.764 0.000 0.722 115 K HN 0.318 nan 8.250 nan 0.000 0.443 116 L N 0.280 121.442 121.223 -0.101 0.000 2.046 116 L HA -0.016 4.324 4.340 -0.000 0.000 0.208 116 L C 2.031 178.874 176.870 -0.045 0.000 1.077 116 L CA 1.658 56.441 54.840 -0.095 0.000 0.747 116 L CB -0.825 41.177 42.059 -0.096 0.000 0.896 116 L HN 0.271 nan 8.230 nan 0.000 0.432 117 F N 0.689 120.576 119.950 -0.106 0.000 2.095 117 F HA -0.199 4.328 4.527 -0.000 0.000 0.298 117 F C 2.311 178.064 175.800 -0.079 0.000 1.104 117 F CA 1.563 59.512 58.000 -0.085 0.000 1.232 117 F CB -0.969 37.983 39.000 -0.081 0.000 0.987 117 F HN 0.172 nan 8.300 nan 0.000 0.475 118 A N 0.673 123.329 122.820 -0.274 0.000 1.883 118 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 118 A C 2.129 179.408 177.584 -0.508 0.000 1.186 118 A CA 2.051 53.666 52.037 -0.702 0.000 0.624 118 A CB -1.076 17.351 19.000 -0.955 0.000 0.822 118 A HN 0.533 nan 8.150 nan 0.000 0.444 119 N N 0.201 118.703 118.700 -0.329 0.000 2.166 119 N HA -0.098 4.642 4.740 -0.000 0.000 0.186 119 N C 1.674 177.071 175.510 -0.188 0.000 1.019 119 N CA 1.373 54.289 53.050 -0.224 0.000 0.856 119 N CB -0.516 37.868 38.487 -0.171 0.000 0.993 119 N HN 0.536 nan 8.380 nan 0.000 0.426 120 L N 0.016 121.117 121.223 -0.203 0.000 2.017 120 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 120 L C 2.209 178.968 176.870 -0.184 0.000 1.073 120 L CA 0.716 55.461 54.840 -0.159 0.000 0.745 120 L CB -0.494 41.499 42.059 -0.109 0.000 0.894 120 L HN 0.134 nan 8.230 nan 0.000 0.432 121 L N 0.156 121.187 121.223 -0.320 0.000 2.083 121 L HA -0.200 4.140 4.340 -0.000 0.000 0.209 121 L C 2.473 179.290 176.870 -0.088 0.000 1.083 121 L CA 1.761 56.458 54.840 -0.238 0.000 0.752 121 L CB -0.514 41.341 42.059 -0.340 0.000 0.899 121 L HN 0.229 nan 8.230 nan 0.000 0.433 122 E N -1.718 118.438 120.200 -0.072 0.000 2.106 122 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 122 E C 1.947 178.527 176.600 -0.033 0.000 0.984 122 E CA 1.529 57.918 56.400 -0.018 0.000 0.806 122 E CB -0.161 29.532 29.700 -0.011 0.000 0.750 122 E HN 0.476 nan 8.360 nan 0.000 0.458 123 T N 0.948 115.468 114.554 -0.057 0.000 2.777 123 T HA -0.118 4.232 4.350 -0.000 0.000 0.266 123 T C 1.995 176.674 174.700 -0.036 0.000 1.040 123 T CA 1.164 63.236 62.100 -0.045 0.000 1.141 123 T CB -0.160 68.675 68.868 -0.054 0.000 0.868 123 T HN 0.232 nan 8.240 nan 0.000 0.444 124 A N 0.432 123.227 122.820 -0.041 0.000 1.972 124 A HA 0.330 4.649 4.320 -0.000 0.000 0.219 124 A C 1.978 179.549 177.584 -0.022 0.000 1.169 124 A CA 1.678 53.698 52.037 -0.029 0.000 0.635 124 A CB -0.615 18.368 19.000 -0.028 0.000 0.810 124 A HN 0.794 nan 8.150 nan 0.000 0.446 125 G N -3.125 105.663 108.800 -0.020 0.000 2.174 125 G HA2 0.321 4.281 3.960 -0.000 0.000 0.140 125 G HA3 0.321 4.281 3.960 -0.000 0.000 0.140 125 G C 0.221 175.116 174.900 -0.009 0.000 1.031 125 G CA 0.046 45.138 45.100 -0.013 0.000 0.728 125 G HN 1.341 nan 8.290 nan 0.000 0.496 126 A N 0.100 122.918 122.820 -0.003 0.000 2.498 126 A HA 0.648 4.968 4.320 -0.000 0.000 0.239 126 A C 1.427 179.016 177.584 0.009 0.000 1.068 126 A CA 1.532 53.571 52.037 0.003 0.000 0.766 126 A CB 0.427 19.438 19.000 0.019 0.000 1.003 126 A HN 0.548 nan 8.150 nan 0.000 0.497 127 T N 1.243 115.791 114.554 -0.009 0.000 2.983 127 T HA 0.170 4.520 4.350 -0.000 0.000 0.250 127 T C 0.819 175.517 174.700 -0.004 0.000 1.037 127 T CA 1.322 63.417 62.100 -0.009 0.000 1.142 127 T CB -0.103 68.746 68.868 -0.032 0.000 0.876 127 T HN 0.928 nan 8.240 nan 0.000 0.455 128 R N -0.560 119.927 120.500 -0.022 0.000 2.733 128 R HA 0.693 5.033 4.340 -0.000 0.000 0.272 128 R C -2.362 173.903 176.300 -0.058 0.000 1.029 128 R CA -0.870 55.211 56.100 -0.031 0.000 0.888 128 R CB 1.175 31.473 30.300 -0.004 0.000 1.251 128 R HN -0.043 nan 8.270 nan 0.000 0.464 129 V N 1.629 121.473 119.914 -0.115 0.000 2.876 129 V HA 0.551 4.671 4.120 -0.000 0.000 0.312 129 V C -0.514 175.551 176.094 -0.048 0.000 1.085 129 V CA -0.801 61.425 62.300 -0.123 0.000 0.945 129 V CB 2.077 33.690 31.823 -0.351 0.000 1.017 129 V HN 0.618 nan 8.190 nan 0.000 0.428 130 I N 3.267 123.856 120.570 0.032 0.000 2.411 130 I HA 0.750 4.920 4.170 -0.000 0.000 0.284 130 I C 0.114 176.288 176.117 0.095 0.000 1.012 130 I CA -0.347 61.000 61.300 0.079 0.000 1.119 130 I CB 1.656 39.726 38.000 0.117 0.000 1.261 130 I HN 0.742 nan 8.210 nan 0.000 0.448 131 A N 6.378 129.261 122.820 0.104 0.000 2.354 131 A HA 0.907 5.227 4.320 -0.000 0.000 0.321 131 A C -1.464 176.253 177.584 0.222 0.000 1.125 131 A CA -0.558 51.562 52.037 0.138 0.000 0.799 131 A CB 1.915 20.947 19.000 0.053 0.000 1.293 131 A HN 0.583 nan 8.150 nan 0.000 0.452 132 L N 0.643 122.018 121.223 0.252 0.000 2.356 132 L HA 0.578 4.918 4.340 -0.000 0.000 0.277 132 L C -0.906 176.202 176.870 0.397 0.000 0.996 132 L CA 0.124 55.142 54.840 0.297 0.000 0.822 132 L CB 1.243 43.446 42.059 0.241 0.000 1.256 132 L HN 0.770 nan 8.230 nan 0.000 0.413 133 D N 4.041 124.681 120.400 0.401 0.000 2.890 133 D HA -0.226 4.414 4.640 -0.000 0.000 0.226 133 D C -0.276 176.306 176.300 0.470 0.000 1.207 133 D CA 1.048 55.305 54.000 0.429 0.000 0.764 133 D CB -0.609 40.338 40.800 0.245 0.000 0.948 133 D HN 0.445 nan 8.370 nan 0.000 0.404 134 L N 0.545 121.978 121.223 0.350 0.000 2.456 134 L HA 0.014 4.354 4.340 -0.000 0.000 0.272 134 L C 2.231 179.156 176.870 0.091 0.000 1.189 134 L CA -0.324 54.506 54.840 -0.018 0.000 0.846 134 L CB 0.513 42.290 42.059 -0.469 0.000 1.111 134 L HN 0.283 nan 8.230 nan 0.000 0.475 135 H N 2.664 121.728 119.070 -0.009 0.000 2.390 135 H HA -0.059 4.497 4.556 -0.000 0.000 0.298 135 H C 0.328 175.663 175.328 0.011 0.000 1.106 135 H CA 1.435 57.507 56.048 0.038 0.000 1.297 135 H CB 0.345 30.126 29.762 0.031 0.000 1.375 135 H HN 0.648 nan 8.280 nan 0.000 0.509 136 A N 0.043 122.803 122.820 -0.100 0.000 2.359 136 A HA 0.349 4.669 4.320 -0.000 0.000 0.303 136 A C -1.889 175.604 177.584 -0.151 0.000 1.066 136 A CA -1.211 50.737 52.037 -0.147 0.000 0.730 136 A CB 1.290 20.226 19.000 -0.107 0.000 1.211 136 A HN 0.231 nan 8.150 nan 0.000 0.439 137 P HA -0.166 nan 4.420 nan 0.000 0.222 137 P C 0.714 177.939 177.300 -0.125 0.000 1.147 137 P CA 1.140 64.237 63.100 -0.004 0.000 0.790 137 P CB 0.350 32.116 31.700 0.111 0.000 0.780 138 Q N -0.292 119.408 119.800 -0.166 0.000 2.364 138 Q HA -0.025 4.315 4.340 -0.000 0.000 0.209 138 Q C 2.141 177.853 176.000 -0.480 0.000 0.977 138 Q CA 0.843 56.518 55.803 -0.212 0.000 0.885 138 Q CB -0.949 27.699 28.738 -0.151 0.000 0.941 138 Q HN 0.333 nan 8.270 nan 0.000 0.464 139 I N 0.184 120.371 120.570 -0.637 0.000 2.567 139 I HA -0.291 3.879 4.170 -0.000 0.000 0.257 139 I C 2.336 178.230 176.117 -0.372 0.000 1.184 139 I CA 0.927 61.669 61.300 -0.930 0.000 1.451 139 I CB -0.198 37.372 38.000 -0.717 0.000 1.089 139 I HN 0.363 nan 8.210 nan 0.000 0.441 140 Q N 1.029 120.695 119.800 -0.224 0.000 2.226 140 Q HA -0.151 4.189 4.340 -0.000 0.000 0.204 140 Q C 2.028 178.092 176.000 0.106 0.000 0.975 140 Q CA 1.536 57.319 55.803 -0.034 0.000 0.866 140 Q CB -0.114 28.600 28.738 -0.041 0.000 0.915 140 Q HN 0.539 nan 8.270 nan 0.000 0.440 141 G N -0.912 107.915 108.800 0.045 0.000 2.920 141 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.208 141 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.208 141 G C 0.639 175.722 174.900 0.304 0.000 1.159 141 G CA -0.249 44.938 45.100 0.146 0.000 0.784 141 G HN 0.272 nan 8.290 nan 0.000 0.535 142 F N 0.240 120.239 119.950 0.081 0.000 2.661 142 F HA 0.397 4.924 4.527 -0.000 0.000 0.298 142 F C 0.555 176.251 175.800 -0.172 0.000 1.137 142 F CA -1.160 56.806 58.000 -0.057 0.000 1.454 142 F CB -0.387 38.542 39.000 -0.118 0.000 1.103 142 F HN -0.062 nan 8.300 nan 0.000 0.577 143 F N -0.164 119.898 119.950 0.186 0.000 2.432 143 F HA 0.298 4.825 4.527 -0.000 0.000 0.329 143 F C 1.255 177.097 175.800 0.069 0.000 1.076 143 F CA -0.674 57.388 58.000 0.103 0.000 1.018 143 F CB 0.835 39.884 39.000 0.081 0.000 1.201 143 F HN -0.291 nan 8.300 nan 0.000 0.489 144 D N 1.176 121.712 120.400 0.226 0.000 2.469 144 D HA 0.155 4.795 4.640 -0.000 0.000 0.213 144 D C 0.256 176.636 176.300 0.133 0.000 1.135 144 D CA 0.402 54.486 54.000 0.140 0.000 0.834 144 D CB 0.451 41.297 40.800 0.077 0.000 1.009 144 D HN 0.340 nan 8.370 nan 0.000 0.507 145 I N -1.344 119.338 120.570 0.187 0.000 2.677 145 I HA 0.493 4.663 4.170 -0.000 0.000 0.305 145 I C -2.486 173.684 176.117 0.088 0.000 0.988 145 I CA -2.343 59.030 61.300 0.121 0.000 1.260 145 I CB 0.637 38.711 38.000 0.123 0.000 1.410 145 I HN -0.398 nan 8.210 nan 0.000 0.523 146 P HA 0.280 nan 4.420 nan 0.000 0.266 146 P C -0.793 176.488 177.300 -0.031 0.000 1.195 146 P CA 0.150 63.263 63.100 0.023 0.000 0.768 146 P CB 0.583 32.299 31.700 0.027 0.000 0.838 147 I N 1.334 121.881 120.570 -0.038 0.000 2.610 147 I HA 0.335 4.504 4.170 -0.000 0.000 0.289 147 I C -1.532 174.584 176.117 -0.001 0.000 1.163 147 I CA -0.663 60.577 61.300 -0.100 0.000 1.044 147 I CB 1.830 39.662 38.000 -0.280 0.000 1.251 147 I HN 0.063 nan 8.210 nan 0.000 0.424 148 D N 6.584 127.011 120.400 0.045 0.000 2.232 148 D HA 0.233 4.873 4.640 -0.000 0.000 0.242 148 D C -0.999 175.423 176.300 0.203 0.000 1.093 148 D CA 0.194 54.275 54.000 0.134 0.000 0.845 148 D CB 1.221 42.108 40.800 0.145 0.000 1.124 148 D HN 0.597 nan 8.370 nan 0.000 0.467 149 H N 3.759 122.911 119.070 0.136 0.000 2.638 149 H HA 0.350 4.906 4.556 -0.000 0.000 0.303 149 H C -0.483 175.016 175.328 0.284 0.000 1.034 149 H CA -0.733 55.400 56.048 0.143 0.000 1.225 149 H CB 0.578 30.389 29.762 0.080 0.000 1.394 149 H HN 0.226 nan 8.280 nan 0.000 0.477 150 L N 4.832 126.195 121.223 0.233 0.000 2.357 150 L HA 0.294 4.634 4.340 -0.000 0.000 0.273 150 L C -0.009 176.812 176.870 -0.082 0.000 1.080 150 L CA -0.836 53.980 54.840 -0.040 0.000 0.803 150 L CB 1.313 43.315 42.059 -0.096 0.000 1.174 150 L HN 0.551 nan 8.230 nan 0.000 0.443 151 M N 1.095 120.586 119.600 -0.182 0.000 2.423 151 M HA 0.303 4.783 4.480 -0.000 0.000 0.335 151 M C 0.896 177.129 176.300 -0.111 0.000 1.177 151 M CA -0.370 54.864 55.300 -0.110 0.000 1.038 151 M CB 1.200 33.767 32.600 -0.055 0.000 1.641 151 M HN 0.719 nan 8.290 nan 0.000 0.455 152 G N 0.895 109.657 108.800 -0.064 0.000 3.044 152 G HA2 0.246 4.206 3.960 -0.000 0.000 0.223 152 G HA3 0.246 4.206 3.960 -0.000 0.000 0.223 152 G C 1.147 176.016 174.900 -0.052 0.000 1.123 152 G CA -0.035 45.022 45.100 -0.070 0.000 0.765 152 G HN 0.500 nan 8.290 nan 0.000 0.546 153 V N 1.906 121.801 119.914 -0.032 0.000 2.332 153 V HA -0.128 3.992 4.120 -0.000 0.000 0.248 153 V C 0.275 176.368 176.094 -0.002 0.000 1.055 153 V CA 2.140 64.439 62.300 -0.002 0.000 1.038 153 V CB -1.026 30.801 31.823 0.008 0.000 0.651 153 V HN 0.226 nan 8.190 nan 0.000 0.450 154 P HA -0.135 nan 4.420 nan 0.000 0.219 154 P C 1.722 179.004 177.300 -0.030 0.000 1.146 154 P CA 1.495 64.574 63.100 -0.034 0.000 0.808 154 P CB -0.047 31.608 31.700 -0.076 0.000 0.779 155 I N -1.724 118.820 120.570 -0.044 0.000 2.286 155 I HA -0.177 3.993 4.170 -0.000 0.000 0.245 155 I C 2.102 178.206 176.117 -0.022 0.000 1.104 155 I CA 1.171 62.444 61.300 -0.045 0.000 1.397 155 I CB -0.502 37.456 38.000 -0.069 0.000 1.072 155 I HN -0.103 nan 8.210 nan 0.000 0.417 156 L N 0.285 121.510 121.223 0.002 0.000 2.156 156 L HA -0.047 4.293 4.340 -0.000 0.000 0.208 156 L C 2.666 179.633 176.870 0.162 0.000 1.095 156 L CA 1.289 56.159 54.840 0.049 0.000 0.770 156 L CB -1.076 41.056 42.059 0.122 0.000 0.914 156 L HN 0.277 nan 8.230 nan 0.000 0.439 157 G N -0.222 108.659 108.800 0.136 0.000 2.421 157 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.216 157 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.216 157 G C 1.453 176.414 174.900 0.102 0.000 1.171 157 G CA 0.784 45.973 45.100 0.149 0.000 0.775 157 G HN 0.436 nan 8.290 nan 0.000 0.543 158 E N -0.708 119.519 120.200 0.046 0.000 2.085 158 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 158 E C 2.069 178.667 176.600 -0.004 0.000 0.994 158 E CA 1.106 57.514 56.400 0.013 0.000 0.801 158 E CB -0.351 29.347 29.700 -0.003 0.000 0.743 158 E HN 0.505 nan 8.360 nan 0.000 0.453 159 Y N 0.119 120.324 120.300 -0.159 0.000 2.097 159 Y HA -0.256 4.294 4.550 -0.000 0.000 0.282 159 Y C 1.808 177.534 175.900 -0.290 0.000 1.152 159 Y CA 2.075 60.011 58.100 -0.273 0.000 1.136 159 Y CB -0.519 37.681 38.460 -0.434 0.000 0.975 159 Y HN 0.066 nan 8.280 nan 0.000 0.498 160 F N 0.683 120.566 119.950 -0.112 0.000 2.171 160 F HA -0.142 4.385 4.527 -0.000 0.000 0.300 160 F C 2.576 178.232 175.800 -0.240 0.000 1.090 160 F CA 1.837 59.688 58.000 -0.249 0.000 1.293 160 F CB -0.828 38.087 39.000 -0.141 0.000 1.013 160 F HN 0.145 nan 8.300 nan 0.000 0.486 161 E N -0.072 120.134 120.200 0.009 0.000 2.153 161 E HA -0.148 4.202 4.350 -0.000 0.000 0.194 161 E C 2.408 178.953 176.600 -0.091 0.000 0.988 161 E CA 0.920 57.303 56.400 -0.029 0.000 0.811 161 E CB -0.448 29.244 29.700 -0.014 0.000 0.746 161 E HN 0.414 nan 8.360 nan 0.000 0.466 162 G N 0.181 108.884 108.800 -0.162 0.000 2.848 162 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.208 162 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.208 162 G C 1.249 176.012 174.900 -0.228 0.000 1.152 162 G CA -0.014 44.974 45.100 -0.187 0.000 0.789 162 G HN 0.099 nan 8.290 nan 0.000 0.531 163 K N 0.153 120.399 120.400 -0.256 0.000 2.404 163 K HA 0.052 4.372 4.320 -0.000 0.000 0.194 163 K C 0.405 176.932 176.600 -0.121 0.000 1.023 163 K CA -0.221 55.929 56.287 -0.228 0.000 1.094 163 K CB 0.245 32.581 32.500 -0.274 0.000 0.841 163 K HN 0.024 nan 8.250 nan 0.000 0.523 164 N N 1.535 120.178 118.700 -0.094 0.000 2.725 164 N HA -0.187 4.553 4.740 -0.000 0.000 0.251 164 N C -0.688 174.797 175.510 -0.042 0.000 1.031 164 N CA 0.753 53.769 53.050 -0.058 0.000 0.720 164 N CB -1.533 36.925 38.487 -0.048 0.000 0.930 164 N HN 0.220 nan 8.380 nan 0.000 0.543 165 L N 0.234 121.430 121.223 -0.046 0.000 2.472 165 L HA 0.220 4.560 4.340 -0.000 0.000 0.260 165 L C 1.085 177.944 176.870 -0.018 0.000 1.209 165 L CA -0.018 54.805 54.840 -0.028 0.000 0.817 165 L CB 0.469 42.498 42.059 -0.050 0.000 1.106 165 L HN 0.263 nan 8.230 nan 0.000 0.479 166 E N -0.198 120.000 120.200 -0.003 0.000 2.293 166 E HA 0.261 4.611 4.350 -0.000 0.000 0.270 166 E C -1.188 175.412 176.600 0.001 0.000 0.879 166 E CA -0.879 55.519 56.400 -0.004 0.000 0.756 166 E CB 1.924 31.624 29.700 0.000 0.000 1.208 166 E HN 0.473 nan 8.360 nan 0.000 0.428 167 D N 1.306 121.703 120.400 -0.005 0.000 2.828 167 D HA -0.148 4.491 4.640 -0.000 0.000 0.241 167 D C -0.994 175.303 176.300 -0.006 0.000 1.142 167 D CA 0.660 54.657 54.000 -0.004 0.000 0.755 167 D CB -0.928 39.873 40.800 0.002 0.000 1.014 167 D HN 0.563 nan 8.370 nan 0.000 0.420 168 I N -0.620 119.939 120.570 -0.018 0.000 2.664 168 I HA 0.567 4.737 4.170 -0.000 0.000 0.308 168 I C 0.590 176.687 176.117 -0.033 0.000 0.984 168 I CA -1.029 60.252 61.300 -0.031 0.000 1.213 168 I CB 2.012 39.974 38.000 -0.063 0.000 1.379 168 I HN 0.002 nan 8.210 nan 0.000 0.501 169 V N 5.818 125.710 119.914 -0.038 0.000 2.733 169 V HA 0.464 4.584 4.120 -0.000 0.000 0.306 169 V C -0.945 175.118 176.094 -0.050 0.000 1.084 169 V CA -0.581 61.698 62.300 -0.034 0.000 0.905 169 V CB 1.879 33.689 31.823 -0.021 0.000 1.010 169 V HN 0.409 nan 8.190 nan 0.000 0.424 170 I N 7.101 127.640 120.570 -0.051 0.000 2.365 170 I HA 0.467 4.637 4.170 -0.000 0.000 0.291 170 I C 0.042 176.136 176.117 -0.040 0.000 1.004 170 I CA -0.349 60.914 61.300 -0.061 0.000 1.311 170 I CB 1.333 39.300 38.000 -0.056 0.000 1.401 170 I HN 0.318 nan 8.210 nan 0.000 0.491 171 V N 4.892 124.783 119.914 -0.038 0.000 2.495 171 V HA 0.330 4.450 4.120 -0.000 0.000 0.298 171 V C 0.304 176.384 176.094 -0.024 0.000 1.031 171 V CA -0.694 61.590 62.300 -0.027 0.000 0.871 171 V CB 1.853 33.662 31.823 -0.024 0.000 0.988 171 V HN 0.838 nan 8.190 nan 0.000 0.432 172 S N 6.259 121.943 115.700 -0.026 0.000 2.475 172 S HA 0.385 4.855 4.470 -0.000 0.000 0.281 172 S C -1.113 173.460 174.600 -0.045 0.000 1.198 172 S CA -1.378 56.805 58.200 -0.028 0.000 1.063 172 S CB 1.320 64.502 63.200 -0.029 0.000 0.972 172 S HN 0.679 nan 8.310 nan 0.000 0.486 173 P HA 0.080 nan 4.420 nan 0.000 0.234 173 P C -0.400 176.841 177.300 -0.098 0.000 1.167 173 P CA 0.766 63.838 63.100 -0.047 0.000 0.763 173 P CB -0.255 31.437 31.700 -0.014 0.000 0.835 174 D N -3.302 117.011 120.400 -0.144 0.000 2.738 174 D HA 0.014 4.654 4.640 -0.000 0.000 0.308 174 D C 0.531 176.646 176.300 -0.309 0.000 1.311 174 D CA -0.730 53.083 54.000 -0.311 0.000 0.799 174 D CB -0.341 40.352 40.800 -0.179 0.000 1.332 174 D HN -0.161 nan 8.370 nan 0.000 0.441 175 H N -0.665 118.421 119.070 0.026 0.000 2.421 175 H HA 0.188 4.744 4.556 -0.000 0.000 0.298 175 H C 1.900 177.239 175.328 0.019 0.000 1.087 175 H CA 1.741 57.801 56.048 0.021 0.000 1.330 175 H CB 0.007 29.782 29.762 0.022 0.000 1.388 175 H HN 0.519 nan 8.280 nan 0.000 0.526 176 G N -0.313 108.551 108.800 0.107 0.000 2.985 176 G HA2 0.039 3.999 3.960 -0.000 0.000 0.209 176 G HA3 0.039 3.999 3.960 -0.000 0.000 0.209 176 G C 1.425 176.337 174.900 0.020 0.000 1.165 176 G CA 0.458 45.597 45.100 0.065 0.000 0.776 176 G HN 0.509 nan 8.290 nan 0.000 0.541 177 G N -0.155 108.652 108.800 0.012 0.000 3.277 177 G HA2 0.210 4.170 3.960 -0.000 0.000 0.243 177 G HA3 0.210 4.170 3.960 -0.000 0.000 0.243 177 G C 1.283 176.183 174.900 0.001 0.000 1.107 177 G CA 0.377 45.479 45.100 0.003 0.000 0.771 177 G HN 0.194 nan 8.290 nan 0.000 0.544 178 V N 0.878 120.796 119.914 0.006 0.000 2.407 178 V HA -0.173 3.947 4.120 -0.000 0.000 0.248 178 V C 3.025 179.121 176.094 0.004 0.000 1.055 178 V CA 2.373 64.677 62.300 0.006 0.000 1.049 178 V CB -0.751 31.082 31.823 0.017 0.000 0.662 178 V HN 0.343 nan 8.190 nan 0.000 0.455 179 T N -0.346 114.210 114.554 0.004 0.000 2.746 179 T HA -0.221 4.129 4.350 -0.000 0.000 0.267 179 T C 2.044 176.744 174.700 0.000 0.000 1.039 179 T CA 1.830 63.931 62.100 0.001 0.000 1.142 179 T CB -0.221 68.646 68.868 -0.002 0.000 0.866 179 T HN 0.438 nan 8.240 nan 0.000 0.444 180 R N 1.030 121.531 120.500 0.001 0.000 2.070 180 R HA -0.027 4.313 4.340 -0.000 0.000 0.233 180 R C 2.633 178.936 176.300 0.005 0.000 1.137 180 R CA 1.485 57.589 56.100 0.006 0.000 0.945 180 R CB -0.553 29.754 30.300 0.012 0.000 0.845 180 R HN 0.334 nan 8.270 nan 0.000 0.430 181 A N 1.178 123.998 122.820 0.001 0.000 1.948 181 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 181 A C 2.210 179.790 177.584 -0.007 0.000 1.177 181 A CA 1.364 53.398 52.037 -0.005 0.000 0.636 181 A CB -0.608 18.386 19.000 -0.010 0.000 0.815 181 A HN 0.257 nan 8.150 nan 0.000 0.449 182 R N -0.127 120.371 120.500 -0.003 0.000 2.115 182 R HA -0.038 4.302 4.340 -0.000 0.000 0.226 182 R C 1.896 178.195 176.300 -0.002 0.000 1.100 182 R CA 1.524 57.621 56.100 -0.003 0.000 0.980 182 R CB -0.300 30.000 30.300 -0.001 0.000 0.875 182 R HN 0.617 nan 8.270 nan 0.000 0.445 183 K N 0.173 120.574 120.400 0.001 0.000 2.148 183 K HA -0.133 4.187 4.320 -0.000 0.000 0.204 183 K C 1.945 178.549 176.600 0.006 0.000 1.050 183 K CA 0.846 57.136 56.287 0.004 0.000 0.942 183 K CB -0.141 32.363 32.500 0.006 0.000 0.724 183 K HN 0.002 nan 8.250 nan 0.000 0.446 184 L N 0.740 121.966 121.223 0.005 0.000 2.109 184 L HA -0.000 4.339 4.340 -0.000 0.000 0.207 184 L C 2.107 178.974 176.870 -0.006 0.000 1.086 184 L CA 1.468 56.313 54.840 0.008 0.000 0.760 184 L CB -0.567 41.496 42.059 0.006 0.000 0.910 184 L HN 0.084 nan 8.230 nan 0.000 0.437 185 A N -0.746 122.065 122.820 -0.014 0.000 1.902 185 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 185 A C 2.019 179.596 177.584 -0.011 0.000 1.181 185 A CA 1.850 53.875 52.037 -0.019 0.000 0.623 185 A CB -0.829 18.160 19.000 -0.018 0.000 0.818 185 A HN 0.491 nan 8.150 nan 0.000 0.443 186 D N -0.666 119.730 120.400 -0.005 0.000 2.106 186 D HA -0.197 4.443 4.640 -0.000 0.000 0.191 186 D C 2.091 178.390 176.300 -0.001 0.000 0.997 186 D CA 1.737 55.736 54.000 -0.002 0.000 0.834 186 D CB -0.333 40.468 40.800 0.000 0.000 0.956 186 D HN 0.573 nan 8.370 nan 0.000 0.448 187 R N 0.399 120.901 120.500 0.003 0.000 2.120 187 R HA -0.041 4.298 4.340 -0.000 0.000 0.234 187 R C 1.808 178.110 176.300 0.004 0.000 1.123 187 R CA 0.954 57.058 56.100 0.006 0.000 0.975 187 R CB -0.124 30.183 30.300 0.013 0.000 0.866 187 R HN 0.207 nan 8.270 nan 0.000 0.446 188 L N 0.433 121.656 121.223 -0.001 0.000 2.640 188 L HA 0.242 4.582 4.340 -0.000 0.000 0.230 188 L C -0.081 176.781 176.870 -0.013 0.000 1.123 188 L CA -0.120 54.716 54.840 -0.007 0.000 0.900 188 L CB 0.063 42.111 42.059 -0.017 0.000 1.146 188 L HN 0.119 nan 8.230 nan 0.000 0.484 189 K N 0.553 120.947 120.400 -0.010 0.000 3.393 189 K HA -0.155 4.165 4.320 -0.000 0.000 0.272 189 K C -0.188 176.403 176.600 -0.014 0.000 1.004 189 K CA 0.417 56.697 56.287 -0.010 0.000 0.764 189 K CB -1.461 31.034 32.500 -0.009 0.000 1.373 189 K HN 0.418 nan 8.250 nan 0.000 0.458 190 A N 0.473 123.282 122.820 -0.018 0.000 2.485 190 A HA 0.853 5.173 4.320 -0.000 0.000 0.292 190 A C -2.453 175.120 177.584 -0.019 0.000 1.147 190 A CA -1.265 50.759 52.037 -0.022 0.000 0.750 190 A CB 1.264 20.244 19.000 -0.033 0.000 1.331 190 A HN 0.065 nan 8.150 nan 0.000 0.419 191 P HA 0.633 nan 4.420 nan 0.000 0.279 191 P C -0.807 176.482 177.300 -0.017 0.000 1.276 191 P CA -0.185 62.906 63.100 -0.014 0.000 0.801 191 P CB 0.876 32.568 31.700 -0.012 0.000 1.127 192 I N -3.895 116.667 120.570 -0.013 0.000 2.934 192 I HA 0.871 5.041 4.170 -0.000 0.000 0.306 192 I C -1.326 174.784 176.117 -0.010 0.000 1.110 192 I CA -1.440 59.851 61.300 -0.014 0.000 1.019 192 I CB 2.227 40.220 38.000 -0.011 0.000 1.227 192 I HN 0.394 nan 8.210 nan 0.000 0.434 193 A N 4.384 127.197 122.820 -0.012 0.000 2.515 193 A HA 0.905 5.225 4.320 -0.000 0.000 0.296 193 A C -1.089 176.487 177.584 -0.013 0.000 1.094 193 A CA -0.668 51.363 52.037 -0.009 0.000 0.718 193 A CB 1.987 20.981 19.000 -0.010 0.000 1.307 193 A HN 1.032 nan 8.150 nan 0.000 0.408 194 I N -0.609 119.955 120.570 -0.010 0.000 2.730 194 I HA 0.693 4.863 4.170 -0.000 0.000 0.298 194 I C -1.389 174.709 176.117 -0.033 0.000 1.089 194 I CA -0.937 60.348 61.300 -0.025 0.000 1.041 194 I CB 1.611 39.600 38.000 -0.018 0.000 1.235 194 I HN 0.403 nan 8.210 nan 0.000 0.423 195 I N 4.134 124.666 120.570 -0.064 0.000 2.352 195 I HA 0.246 4.416 4.170 -0.000 0.000 0.290 195 I C -0.447 175.610 176.117 -0.100 0.000 1.036 195 I CA 0.268 61.532 61.300 -0.062 0.000 1.336 195 I CB 0.626 38.587 38.000 -0.066 0.000 1.407 195 I HN 0.656 nan 8.210 nan 0.000 0.497 196 D N 6.803 127.195 120.400 -0.013 0.000 2.479 196 D HA 0.140 4.779 4.640 -0.000 0.000 0.247 196 D C -0.087 176.276 176.300 0.105 0.000 1.119 196 D CA -0.451 53.605 54.000 0.093 0.000 0.922 196 D CB 0.447 41.333 40.800 0.143 0.000 1.014 196 D HN 0.383 nan 8.370 nan 0.000 0.510 197 K N 3.306 123.757 120.400 0.084 0.000 2.258 197 K HA 0.317 4.637 4.320 -0.000 0.000 0.284 197 K C -0.077 176.601 176.600 0.129 0.000 1.051 197 K CA -0.661 55.675 56.287 0.083 0.000 0.923 197 K CB 0.638 33.163 32.500 0.043 0.000 1.046 197 K HN 0.169 nan 8.250 nan 0.000 0.474 209 N N 2.834 121.549 118.700 0.025 0.000 2.482 209 N HA 0.729 5.469 4.740 -0.000 0.000 0.279 209 N C -1.085 174.434 175.510 0.015 0.000 1.182 209 N CA -0.729 52.334 53.050 0.021 0.000 0.969 209 N CB 1.750 40.255 38.487 0.029 0.000 1.201 209 N HN 0.456 nan 8.380 nan 0.000 0.523 210 I N 1.747 122.324 120.570 0.011 0.000 2.410 210 I HA 0.218 4.388 4.170 -0.000 0.000 0.286 210 I C -0.699 175.424 176.117 0.009 0.000 1.009 210 I CA -0.778 60.525 61.300 0.005 0.000 1.111 210 I CB 1.860 39.861 38.000 0.001 0.000 1.262 210 I HN 0.115 nan 8.210 nan 0.000 0.443 211 V N 5.651 125.571 119.914 0.011 0.000 2.304 211 V HA 0.859 4.979 4.120 -0.000 0.000 0.269 211 V C 0.539 176.638 176.094 0.008 0.000 1.036 211 V CA -0.305 62.004 62.300 0.014 0.000 0.840 211 V CB 0.256 32.094 31.823 0.025 0.000 1.036 211 V HN 1.065 nan 8.190 nan 0.000 0.466 212 G N 3.836 112.639 108.800 0.005 0.000 2.334 212 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.566 212 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.566 212 G C -1.197 173.703 174.900 -0.000 0.000 1.413 212 G CA -0.965 44.136 45.100 0.002 0.000 0.993 212 G HN 0.694 nan 8.290 nan 0.000 0.642 213 N N -0.013 118.686 118.700 -0.001 0.000 2.406 213 N HA 0.485 5.225 4.740 -0.000 0.000 0.251 213 N C 1.166 176.674 175.510 -0.004 0.000 1.069 213 N CA -0.264 52.785 53.050 -0.002 0.000 0.947 213 N CB 0.459 38.945 38.487 -0.002 0.000 1.111 213 N HN 0.947 nan 8.380 nan 0.000 0.497 214 I N -1.027 119.540 120.570 -0.004 0.000 4.147 214 I HA 0.414 4.584 4.170 -0.000 0.000 0.329 214 I C 0.208 176.322 176.117 -0.004 0.000 1.424 214 I CA -0.487 60.809 61.300 -0.005 0.000 1.127 214 I CB 0.195 38.191 38.000 -0.006 0.000 1.128 214 I HN 0.241 nan 8.210 nan 0.000 0.417 215 E N 2.934 123.133 120.200 -0.003 0.000 2.265 215 E HA 0.190 4.540 4.350 -0.000 0.000 0.272 215 E C 1.030 177.630 176.600 -0.001 0.000 1.067 215 E CA 0.844 57.243 56.400 -0.002 0.000 0.900 215 E CB 0.809 30.508 29.700 -0.001 0.000 1.017 215 E HN 0.621 nan 8.360 nan 0.000 0.431 216 G N 4.313 113.112 108.800 -0.001 0.000 2.225 216 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.267 216 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.267 216 G C -0.015 174.886 174.900 0.003 0.000 1.024 216 G CA 0.662 45.762 45.100 0.001 0.000 0.784 216 G HN 0.459 nan 8.290 nan 0.000 0.507 217 K N -0.492 119.910 120.400 0.002 0.000 2.281 217 K HA 0.567 4.887 4.320 -0.000 0.000 0.242 217 K C -0.243 176.365 176.600 0.013 0.000 0.971 217 K CA -0.729 55.561 56.287 0.005 0.000 0.834 217 K CB 1.552 34.051 32.500 -0.001 0.000 1.181 217 K HN 0.019 nan 8.250 nan 0.000 0.435 218 T N 1.754 116.323 114.554 0.026 0.000 2.727 218 T HA 0.251 4.601 4.350 -0.000 0.000 0.295 218 T C -0.341 174.383 174.700 0.040 0.000 0.915 218 T CA -0.342 61.794 62.100 0.061 0.000 1.066 218 T CB 0.439 69.376 68.868 0.114 0.000 0.891 218 T HN 0.589 nan 8.240 nan 0.000 0.516 219 A N 4.818 127.658 122.820 0.033 0.000 2.328 219 A HA 0.676 4.996 4.320 -0.000 0.000 0.284 219 A C -0.031 177.563 177.584 0.016 0.000 1.160 219 A CA -0.606 51.434 52.037 0.005 0.000 0.818 219 A CB 0.169 19.165 19.000 -0.006 0.000 1.087 219 A HN 0.878 nan 8.150 nan 0.000 0.504 220 I N 3.456 123.992 120.570 -0.057 0.000 2.382 220 I HA 0.223 4.393 4.170 -0.000 0.000 0.285 220 I C -0.652 175.419 176.117 -0.077 0.000 1.007 220 I CA -0.213 61.012 61.300 -0.124 0.000 1.142 220 I CB 1.336 39.095 38.000 -0.402 0.000 1.289 220 I HN 0.511 nan 8.210 nan 0.000 0.453 221 L N 7.205 128.417 121.223 -0.017 0.000 2.290 221 L HA 0.504 4.843 4.340 -0.000 0.000 0.284 221 L C -0.302 176.578 176.870 0.017 0.000 1.078 221 L CA -0.193 54.648 54.840 0.001 0.000 0.815 221 L CB 1.466 43.536 42.059 0.019 0.000 1.162 221 L HN 0.547 nan 8.230 nan 0.000 0.435 222 I N 3.167 123.744 120.570 0.013 0.000 2.533 222 I HA 0.460 4.630 4.170 -0.000 0.000 0.290 222 I C -1.493 174.647 176.117 0.038 0.000 1.056 222 I CA -0.245 61.076 61.300 0.035 0.000 1.057 222 I CB 1.930 39.945 38.000 0.026 0.000 1.240 222 I HN 0.531 nan 8.210 nan 0.000 0.423 223 D N 4.263 124.696 120.400 0.055 0.000 2.579 223 D HA 0.210 4.850 4.640 -0.000 0.000 0.257 223 D C 0.021 176.371 176.300 0.083 0.000 1.176 223 D CA -0.249 53.790 54.000 0.066 0.000 0.914 223 D CB 2.128 42.971 40.800 0.071 0.000 1.431 223 D HN 0.655 nan 8.370 nan 0.000 0.454 224 D N 0.443 120.916 120.400 0.120 0.000 2.120 224 D HA -0.014 4.626 4.640 -0.000 0.000 0.202 224 D C 0.712 177.141 176.300 0.214 0.000 0.972 224 D CA 0.897 54.994 54.000 0.162 0.000 0.837 224 D CB 0.487 41.425 40.800 0.230 0.000 0.989 224 D HN 0.347 nan 8.370 nan 0.000 0.469 225 I N 0.386 121.096 120.570 0.234 0.000 2.509 225 I HA 0.339 4.509 4.170 -0.000 0.000 0.293 225 I C -0.492 175.696 176.117 0.120 0.000 1.020 225 I CA -0.896 60.533 61.300 0.216 0.000 1.088 225 I CB 2.890 41.036 38.000 0.243 0.000 1.267 225 I HN -0.159 nan 8.210 nan 0.000 0.430 226 I N 5.133 125.747 120.570 0.074 0.000 2.382 226 I HA 0.182 4.352 4.170 -0.000 0.000 0.285 226 I C 0.030 176.157 176.117 0.016 0.000 1.007 226 I CA -0.066 61.260 61.300 0.044 0.000 1.142 226 I CB 1.498 39.519 38.000 0.035 0.000 1.289 226 I HN 0.641 nan 8.210 nan 0.000 0.453 227 D N 2.759 123.168 120.400 0.016 0.000 2.733 227 D HA -0.034 4.606 4.640 -0.000 0.000 0.262 227 D C 1.824 178.119 176.300 -0.009 0.000 1.497 227 D CA 1.355 55.354 54.000 -0.003 0.000 1.101 227 D CB 0.349 41.152 40.800 0.006 0.000 1.014 227 D HN 0.480 nan 8.370 nan 0.000 0.319 228 T N -1.885 112.668 114.554 -0.001 0.000 3.067 228 T HA 0.437 4.787 4.350 -0.000 0.000 0.257 228 T C 1.307 176.006 174.700 -0.001 0.000 1.105 228 T CA 1.210 63.307 62.100 -0.004 0.000 1.104 228 T CB 0.248 69.115 68.868 -0.001 0.000 0.925 228 T HN 0.477 nan 8.240 nan 0.000 0.498 229 A N 0.058 122.881 122.820 0.006 0.000 3.172 229 A HA -0.111 4.209 4.320 -0.000 0.000 0.263 229 A C 1.842 179.431 177.584 0.008 0.000 1.215 229 A CA 1.444 53.486 52.037 0.008 0.000 1.065 229 A CB -2.482 16.519 19.000 0.003 0.000 1.148 229 A HN 0.955 nan 8.150 nan 0.000 0.904 230 G N -1.091 107.714 108.800 0.009 0.000 2.453 230 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.215 230 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.215 230 G C 1.413 176.318 174.900 0.010 0.000 1.201 230 G CA 2.151 47.256 45.100 0.008 0.000 0.784 230 G HN 0.819 nan 8.290 nan 0.000 0.545 231 T N 0.983 115.545 114.554 0.013 0.000 2.777 231 T HA -0.087 4.263 4.350 -0.000 0.000 0.266 231 T C 2.321 177.026 174.700 0.007 0.000 1.040 231 T CA 1.050 63.156 62.100 0.010 0.000 1.141 231 T CB -0.122 68.754 68.868 0.012 0.000 0.868 231 T HN 0.125 nan 8.240 nan 0.000 0.444 232 I N 1.822 122.399 120.570 0.013 0.000 2.202 232 I HA -0.172 3.998 4.170 -0.000 0.000 0.242 232 I C 2.749 178.872 176.117 0.010 0.000 1.091 232 I CA 1.606 62.914 61.300 0.014 0.000 1.368 232 I CB -0.574 37.441 38.000 0.025 0.000 1.058 232 I HN 0.385 nan 8.210 nan 0.000 0.410 233 T N -1.406 113.153 114.554 0.009 0.000 2.777 233 T HA -0.184 4.166 4.350 -0.000 0.000 0.266 233 T C 2.000 176.701 174.700 0.001 0.000 1.040 233 T CA 1.356 63.459 62.100 0.005 0.000 1.141 233 T CB -0.988 67.882 68.868 0.004 0.000 0.868 233 T HN 0.289 nan 8.240 nan 0.000 0.444 234 L N 1.490 122.714 121.223 0.002 0.000 2.042 234 L HA 0.066 4.406 4.340 -0.000 0.000 0.210 234 L C 2.929 179.798 176.870 -0.002 0.000 1.076 234 L CA 1.816 56.657 54.840 0.001 0.000 0.749 234 L CB -0.817 41.243 42.059 0.003 0.000 0.893 234 L HN 0.389 nan 8.230 nan 0.000 0.432 235 A N -0.861 121.957 122.820 -0.003 0.000 1.930 235 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 235 A C 2.407 179.987 177.584 -0.007 0.000 1.175 235 A CA 1.528 53.562 52.037 -0.006 0.000 0.627 235 A CB -1.009 17.985 19.000 -0.009 0.000 0.815 235 A HN 0.543 nan 8.150 nan 0.000 0.443 236 A N 0.888 123.705 122.820 -0.006 0.000 1.841 236 A HA -0.242 4.078 4.320 -0.000 0.000 0.216 236 A C 1.889 179.465 177.584 -0.014 0.000 1.199 236 A CA 1.973 54.003 52.037 -0.011 0.000 0.621 236 A CB -0.878 18.116 19.000 -0.011 0.000 0.835 236 A HN 0.533 nan 8.150 nan 0.000 0.445 237 N N 0.707 119.400 118.700 -0.011 0.000 2.060 237 N HA -0.207 4.533 4.740 -0.000 0.000 0.195 237 N C 1.762 177.266 175.510 -0.009 0.000 1.028 237 N CA 1.984 55.027 53.050 -0.011 0.000 0.861 237 N CB -0.793 37.689 38.487 -0.007 0.000 1.029 237 N HN 0.525 nan 8.380 nan 0.000 0.428 238 A N 0.798 123.614 122.820 -0.007 0.000 1.972 238 A HA -0.030 4.290 4.320 -0.000 0.000 0.219 238 A C 2.398 179.978 177.584 -0.008 0.000 1.169 238 A CA 0.820 52.853 52.037 -0.006 0.000 0.635 238 A CB -0.659 18.339 19.000 -0.004 0.000 0.810 238 A HN 0.231 nan 8.150 nan 0.000 0.446 239 L N -0.807 120.409 121.223 -0.010 0.000 2.017 239 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 239 L C 2.584 179.446 176.870 -0.013 0.000 1.073 239 L CA 1.258 56.090 54.840 -0.012 0.000 0.745 239 L CB -0.549 41.501 42.059 -0.015 0.000 0.894 239 L HN 0.254 nan 8.230 nan 0.000 0.432 240 V N -0.101 119.803 119.914 -0.016 0.000 2.255 240 V HA -0.324 3.796 4.120 -0.000 0.000 0.247 240 V C 2.374 178.461 176.094 -0.011 0.000 1.051 240 V CA 2.028 64.318 62.300 -0.017 0.000 1.018 240 V CB -0.519 31.291 31.823 -0.020 0.000 0.641 240 V HN 0.467 nan 8.190 nan 0.000 0.445 241 E N 0.053 120.248 120.200 -0.009 0.000 2.130 241 E HA -0.227 4.123 4.350 -0.000 0.000 0.196 241 E C 1.647 178.244 176.600 -0.005 0.000 0.998 241 E CA 1.356 57.752 56.400 -0.006 0.000 0.806 241 E CB -0.246 29.451 29.700 -0.004 0.000 0.738 241 E HN 0.623 nan 8.360 nan 0.000 0.459 242 N N -0.740 117.957 118.700 -0.005 0.000 2.362 242 N HA 0.010 4.750 4.740 -0.000 0.000 0.204 242 N C 0.534 176.041 175.510 -0.004 0.000 1.166 242 N CA 0.548 53.596 53.050 -0.004 0.000 0.831 242 N CB 1.113 39.598 38.487 -0.003 0.000 1.008 242 N HN 0.257 nan 8.380 nan 0.000 0.472 243 G N 0.155 108.952 108.800 -0.005 0.000 2.184 243 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.206 243 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.206 243 G C 0.162 175.059 174.900 -0.006 0.000 0.995 243 G CA -0.055 45.042 45.100 -0.005 0.000 0.651 243 G HN 0.457 nan 8.290 nan 0.000 0.511 244 A N 0.468 123.283 122.820 -0.008 0.000 2.425 244 A HA 0.673 4.993 4.320 -0.000 0.000 0.249 244 A C 1.361 178.939 177.584 -0.010 0.000 1.084 244 A CA 1.122 53.154 52.037 -0.008 0.000 0.781 244 A CB 0.622 19.615 19.000 -0.012 0.000 1.019 244 A HN 0.566 nan 8.150 nan 0.000 0.490 245 K N 0.802 121.199 120.400 -0.005 0.000 2.097 245 K HA -0.099 4.221 4.320 -0.000 0.000 0.205 245 K C 0.197 176.787 176.600 -0.017 0.000 1.050 245 K CA 1.804 58.088 56.287 -0.005 0.000 0.938 245 K CB -0.031 32.473 32.500 0.007 0.000 0.718 245 K HN 0.899 nan 8.250 nan 0.000 0.442 246 E N -1.357 118.827 120.200 -0.027 0.000 2.388 246 E HA 0.274 4.623 4.350 -0.000 0.000 0.281 246 E C -1.546 174.992 176.600 -0.104 0.000 1.046 246 E CA -1.090 55.261 56.400 -0.081 0.000 0.825 246 E CB 1.574 31.213 29.700 -0.100 0.000 1.243 246 E HN -0.131 nan 8.360 nan 0.000 0.438 247 V N 1.685 121.490 119.914 -0.181 0.000 2.540 247 V HA 0.461 4.581 4.120 -0.000 0.000 0.302 247 V C -1.293 174.634 176.094 -0.277 0.000 1.035 247 V CA -0.643 61.571 62.300 -0.143 0.000 0.873 247 V CB 0.933 32.713 31.823 -0.072 0.000 0.992 247 V HN 0.615 nan 8.190 nan 0.000 0.428 248 Y N 1.875 122.180 120.300 0.008 0.000 2.528 248 Y HA 0.837 5.387 4.550 -0.000 0.000 0.335 248 Y C 0.360 176.289 175.900 0.049 0.000 1.093 248 Y CA -0.589 57.552 58.100 0.068 0.000 1.134 248 Y CB 2.223 40.727 38.460 0.073 0.000 1.253 248 Y HN 0.756 nan 8.280 nan 0.000 0.478 249 A N 1.095 124.089 122.820 0.291 0.000 2.449 249 A HA 0.841 5.161 4.320 -0.000 0.000 0.302 249 A C -1.196 176.542 177.584 0.257 0.000 1.048 249 A CA -0.600 51.553 52.037 0.192 0.000 0.708 249 A CB 0.618 19.691 19.000 0.120 0.000 1.274 249 A HN 1.068 nan 8.150 nan 0.000 0.410 250 C N -0.072 119.348 119.300 0.201 0.000 3.239 250 C HA 0.952 5.412 4.460 -0.000 0.000 0.317 250 C C -0.340 174.721 174.990 0.118 0.000 1.310 250 C CA -0.497 58.643 59.018 0.204 0.000 1.371 250 C CB 0.468 28.424 27.740 0.359 0.000 1.714 250 C HN 2.108 nan 8.230 nan 0.000 0.473 251 C N 0.213 119.558 119.300 0.076 0.000 3.321 251 C HA 0.806 5.266 4.460 -0.000 0.000 0.329 251 C C 0.999 175.971 174.990 -0.030 0.000 1.394 251 C CA 0.272 59.312 59.018 0.036 0.000 1.291 251 C CB 0.848 28.616 27.740 0.048 0.000 1.606 251 C HN 0.998 nan 8.230 nan 0.000 0.463 252 T N -0.271 114.214 114.554 -0.115 0.000 2.901 252 T HA 0.129 4.479 4.350 -0.000 0.000 0.252 252 T C 0.384 174.877 174.700 -0.344 0.000 1.035 252 T CA 1.328 63.251 62.100 -0.295 0.000 1.142 252 T CB -0.324 68.239 68.868 -0.508 0.000 0.869 252 T HN 0.766 nan 8.240 nan 0.000 0.442 253 H N 2.070 121.169 119.070 0.048 0.000 2.581 253 H HA 0.270 4.826 4.556 -0.000 0.000 0.308 253 H C -2.617 172.651 175.328 -0.101 0.000 1.040 253 H CA -2.679 53.345 56.048 -0.040 0.000 1.231 253 H CB 0.940 30.691 29.762 -0.018 0.000 1.396 253 H HN 0.165 nan 8.280 nan 0.000 0.467 254 P HA 0.053 nan 4.420 nan 0.000 0.232 254 P C 0.947 178.176 177.300 -0.118 0.000 1.814 254 P CA -0.189 62.879 63.100 -0.054 0.000 1.085 254 P CB 0.456 32.131 31.700 -0.041 0.000 1.901 255 V N 3.138 122.967 119.914 -0.140 0.000 2.358 255 V HA -0.203 3.917 4.120 -0.000 0.000 0.246 255 V C 1.570 177.605 176.094 -0.099 0.000 1.047 255 V CA 0.826 63.024 62.300 -0.170 0.000 1.035 255 V CB -1.141 30.595 31.823 -0.145 0.000 0.658 255 V HN 0.423 nan 8.190 nan 0.000 0.452 256 L N 1.674 122.857 121.223 -0.067 0.000 3.943 256 L HA -0.195 4.145 4.340 -0.000 0.000 0.529 256 L C 0.471 177.308 176.870 -0.054 0.000 1.173 256 L CA 0.321 55.127 54.840 -0.056 0.000 0.737 256 L CB -1.780 40.237 42.059 -0.070 0.000 1.321 256 L HN 0.581 nan 8.230 nan 0.000 0.794 257 S N -0.835 114.839 115.700 -0.044 0.000 2.718 257 S HA 0.929 5.398 4.470 -0.000 0.000 0.300 257 S C 0.890 175.472 174.600 -0.030 0.000 1.117 257 S CA 0.064 58.241 58.200 -0.039 0.000 1.002 257 S CB 2.541 65.719 63.200 -0.037 0.000 1.092 257 S HN 1.297 nan 8.310 nan 0.000 0.542 258 G N 1.525 110.309 108.800 -0.027 0.000 2.556 258 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.283 258 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.283 258 G C -1.837 173.050 174.900 -0.022 0.000 1.177 258 G CA -0.001 45.087 45.100 -0.021 0.000 0.978 258 G HN 0.950 nan 8.290 nan 0.000 0.554 259 P HA 0.462 nan 4.420 nan 0.000 0.254 259 P C 1.266 178.555 177.300 -0.019 0.000 1.494 259 P CA 1.234 64.323 63.100 -0.017 0.000 0.961 259 P CB 0.239 31.932 31.700 -0.012 0.000 1.493 260 A N 0.787 123.594 122.820 -0.023 0.000 1.841 260 A HA -0.150 4.169 4.320 -0.000 0.000 0.216 260 A C 2.254 179.821 177.584 -0.028 0.000 1.199 260 A CA 2.003 54.026 52.037 -0.023 0.000 0.621 260 A CB -1.481 17.502 19.000 -0.029 0.000 0.835 260 A HN 0.080 nan 8.150 nan 0.000 0.445 261 V N 0.168 120.057 119.914 -0.042 0.000 2.282 261 V HA -0.336 3.784 4.120 -0.000 0.000 0.249 261 V C 2.586 178.659 176.094 -0.035 0.000 1.057 261 V CA 2.587 64.857 62.300 -0.051 0.000 1.032 261 V CB -0.806 30.974 31.823 -0.072 0.000 0.645 261 V HN 0.779 nan 8.190 nan 0.000 0.447 262 E N -0.078 120.104 120.200 -0.029 0.000 2.049 262 E HA -0.296 4.054 4.350 -0.000 0.000 0.198 262 E C 2.459 179.051 176.600 -0.014 0.000 1.007 262 E CA 1.898 58.286 56.400 -0.020 0.000 0.809 262 E CB -0.100 29.590 29.700 -0.017 0.000 0.749 262 E HN 0.528 nan 8.360 nan 0.000 0.450 263 R N -0.036 120.457 120.500 -0.012 0.000 2.081 263 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 263 R C 2.523 178.821 176.300 -0.004 0.000 1.131 263 R CA 1.424 57.520 56.100 -0.007 0.000 0.960 263 R CB -0.234 30.063 30.300 -0.005 0.000 0.856 263 R HN 0.308 nan 8.270 nan 0.000 0.436 264 I N 0.968 121.535 120.570 -0.005 0.000 2.163 264 I HA -0.279 3.891 4.170 -0.000 0.000 0.240 264 I C 1.751 177.872 176.117 0.005 0.000 1.081 264 I CA 1.076 62.378 61.300 0.004 0.000 1.353 264 I CB -0.383 37.620 38.000 0.005 0.000 1.054 264 I HN 0.158 nan 8.210 nan 0.000 0.407 265 N N 1.266 119.966 118.700 -0.000 0.000 2.091 265 N HA -0.199 4.541 4.740 -0.000 0.000 0.193 265 N C 1.326 176.838 175.510 0.003 0.000 1.021 265 N CA 1.366 54.418 53.050 0.003 0.000 0.862 265 N CB -0.548 37.936 38.487 -0.005 0.000 1.018 265 N HN 0.385 nan 8.380 nan 0.000 0.429 266 N N 0.312 119.012 118.700 -0.001 0.000 2.461 266 N HA -0.011 4.729 4.740 -0.000 0.000 0.188 266 N C 0.466 175.975 175.510 -0.003 0.000 1.134 266 N CA 0.032 53.081 53.050 -0.002 0.000 0.878 266 N CB 0.240 38.725 38.487 -0.003 0.000 0.972 266 N HN 0.293 nan 8.380 nan 0.000 0.456 267 S N -0.083 115.616 115.700 -0.002 0.000 2.671 267 S HA 0.173 4.642 4.470 -0.000 0.000 0.272 267 S C 1.316 175.909 174.600 -0.011 0.000 1.174 267 S CA -0.325 57.872 58.200 -0.005 0.000 1.004 267 S CB 0.808 64.006 63.200 -0.003 0.000 1.077 267 S HN 0.205 nan 8.310 nan 0.000 0.553 268 T N -1.592 112.951 114.554 -0.019 0.000 3.188 268 T HA 0.343 4.693 4.350 -0.000 0.000 0.250 268 T C 0.474 175.143 174.700 -0.052 0.000 1.077 268 T CA -0.321 61.760 62.100 -0.032 0.000 0.967 268 T CB -0.938 67.910 68.868 -0.034 0.000 1.006 268 T HN 0.517 nan 8.240 nan 0.000 0.552 269 I N 2.432 122.979 120.570 -0.038 0.000 2.587 269 I HA 0.117 4.287 4.170 -0.000 0.000 0.284 269 I C 1.716 177.787 176.117 -0.076 0.000 1.134 269 I CA -0.199 61.071 61.300 -0.049 0.000 1.410 269 I CB 0.942 38.944 38.000 0.003 0.000 1.392 269 I HN 0.166 nan 8.210 nan 0.000 0.545 270 K N 4.974 125.258 120.400 -0.193 0.000 2.097 270 K HA -0.051 4.269 4.320 -0.000 0.000 0.205 270 K C 0.482 177.047 176.600 -0.059 0.000 1.050 270 K CA 1.283 57.446 56.287 -0.207 0.000 0.938 270 K CB 0.303 32.507 32.500 -0.493 0.000 0.718 270 K HN 0.669 nan 8.250 nan 0.000 0.442 271 E N 0.166 120.378 120.200 0.021 0.000 2.347 271 E HA 0.134 4.484 4.350 -0.000 0.000 0.285 271 E C -2.099 174.654 176.600 0.255 0.000 0.925 271 E CA -0.570 55.951 56.400 0.201 0.000 0.779 271 E CB 1.145 31.067 29.700 0.371 0.000 1.233 271 E HN -0.001 nan 8.360 nan 0.000 0.414 272 L N 5.226 126.574 121.223 0.207 0.000 2.265 272 L HA 0.468 4.808 4.340 -0.000 0.000 0.289 272 L C -1.533 175.438 176.870 0.169 0.000 1.033 272 L CA -0.442 54.516 54.840 0.197 0.000 0.814 272 L CB 1.400 43.559 42.059 0.167 0.000 1.203 272 L HN 0.366 nan 8.230 nan 0.000 0.423 273 V N 6.445 126.443 119.914 0.141 0.000 2.370 273 V HA 0.685 4.805 4.120 -0.000 0.000 0.283 273 V C 0.042 176.132 176.094 -0.007 0.000 1.023 273 V CA -0.267 62.016 62.300 -0.029 0.000 0.857 273 V CB 1.364 33.100 31.823 -0.145 0.000 0.985 273 V HN 0.705 nan 8.190 nan 0.000 0.443 274 V N 1.975 121.869 119.914 -0.033 0.000 3.156 274 V HA 0.949 5.069 4.120 -0.000 0.000 0.311 274 V C -0.094 175.963 176.094 -0.062 0.000 1.208 274 V CA -0.305 61.984 62.300 -0.019 0.000 1.063 274 V CB 2.213 34.056 31.823 0.033 0.000 1.098 274 V HN 0.853 nan 8.190 nan 0.000 0.452 275 T N -0.788 113.733 114.554 -0.056 0.000 2.938 275 T HA 0.460 4.810 4.350 -0.000 0.000 0.285 275 T C 0.271 174.960 174.700 -0.020 0.000 1.028 275 T CA -0.071 61.995 62.100 -0.058 0.000 1.005 275 T CB 1.400 70.226 68.868 -0.070 0.000 1.157 275 T HN 1.163 nan 8.240 nan 0.000 0.550 276 N N 0.098 118.791 118.700 -0.012 0.000 2.346 276 N HA 0.037 4.776 4.740 -0.000 0.000 0.225 276 N C 1.353 176.878 175.510 0.025 0.000 1.144 276 N CA 0.208 53.262 53.050 0.006 0.000 0.837 276 N CB -0.327 38.161 38.487 0.003 0.000 1.069 276 N HN 0.657 nan 8.380 nan 0.000 0.487 277 S N -0.331 115.400 115.700 0.052 0.000 2.419 277 S HA 0.027 4.497 4.470 -0.000 0.000 0.233 277 S C 0.719 175.378 174.600 0.098 0.000 1.016 277 S CA 0.201 58.476 58.200 0.125 0.000 0.974 277 S CB -0.286 63.075 63.200 0.268 0.000 0.786 277 S HN 0.359 nan 8.310 nan 0.000 0.492 278 I N 1.126 121.713 120.570 0.028 0.000 2.498 278 I HA 0.360 4.530 4.170 -0.000 0.000 0.290 278 I C -0.320 175.777 176.117 -0.034 0.000 1.032 278 I CA -0.899 60.377 61.300 -0.039 0.000 1.073 278 I CB 2.205 40.110 38.000 -0.158 0.000 1.251 278 I HN 0.028 nan 8.210 nan 0.000 0.426 279 K N 5.913 126.295 120.400 -0.031 0.000 2.355 279 K HA 0.399 4.719 4.320 -0.000 0.000 0.270 279 K C -0.796 175.782 176.600 -0.037 0.000 1.003 279 K CA -0.195 56.078 56.287 -0.023 0.000 0.957 279 K CB 0.807 33.297 32.500 -0.016 0.000 0.939 279 K HN 0.528 nan 8.250 nan 0.000 0.482 286 I N 2.740 123.132 120.570 -0.297 0.000 2.392 286 I HA 0.159 4.329 4.170 -0.000 0.000 0.295 286 I C 1.161 177.284 176.117 0.011 0.000 0.985 286 I CA -0.718 60.467 61.300 -0.191 0.000 1.221 286 I CB 1.643 39.440 38.000 -0.338 0.000 1.366 286 I HN 0.732 nan 8.210 nan 0.000 0.467 287 E N 4.748 124.995 120.200 0.078 0.000 2.033 287 E HA -0.018 4.331 4.350 -0.000 0.000 0.189 287 E C 0.340 177.063 176.600 0.205 0.000 0.979 287 E CA 1.088 57.564 56.400 0.127 0.000 0.802 287 E CB 0.194 29.936 29.700 0.070 0.000 0.763 287 E HN 0.497 nan 8.360 nan 0.000 0.449 288 R N 0.921 121.535 120.500 0.190 0.000 2.937 288 R HA 0.254 4.594 4.340 -0.000 0.000 0.264 288 R C -0.405 176.047 176.300 0.253 0.000 1.334 288 R CA -0.319 55.887 56.100 0.175 0.000 1.516 288 R CB -0.101 30.262 30.300 0.104 0.000 1.187 288 R HN -0.035 nan 8.270 nan 0.000 0.609 289 F N -0.614 119.346 119.950 0.017 0.000 2.675 289 F HA 0.810 5.337 4.527 0.000 0.000 0.324 289 F C -1.255 174.527 175.800 -0.031 0.000 1.106 289 F CA -1.949 56.051 58.000 0.000 0.000 0.970 289 F CB 1.590 40.581 39.000 -0.015 0.000 1.385 289 F HN -0.122 nan 8.300 nan 0.000 0.489 290 K N 1.381 121.431 120.400 -0.583 0.000 2.565 290 K HA 0.298 4.618 4.320 -0.000 0.000 0.251 290 K C -2.044 174.302 176.600 -0.424 0.000 0.956 290 K CA -0.402 55.471 56.287 -0.689 0.000 0.809 290 K CB 1.872 34.045 32.500 -0.544 0.000 1.267 290 K HN 0.913 nan 8.250 nan 0.000 0.438 291 Q N 5.524 125.114 119.800 -0.351 0.000 2.325 291 Q HA 0.447 4.787 4.340 -0.000 0.000 0.262 291 Q C -0.973 174.917 176.000 -0.183 0.000 0.968 291 Q CA -0.719 55.014 55.803 -0.116 0.000 0.877 291 Q CB 0.858 29.644 28.738 0.081 0.000 1.253 291 Q HN 0.687 nan 8.270 nan 0.000 0.448 292 L N 1.724 122.830 121.223 -0.194 0.000 2.360 292 L HA 0.485 4.825 4.340 -0.000 0.000 0.271 292 L C 0.132 176.940 176.870 -0.103 0.000 1.057 292 L CA -0.685 54.046 54.840 -0.182 0.000 0.803 292 L CB 1.833 43.755 42.059 -0.227 0.000 1.207 292 L HN 0.521 nan 8.230 nan 0.000 0.445 293 S N 0.075 115.726 115.700 -0.082 0.000 2.489 293 S HA 0.352 4.822 4.470 -0.000 0.000 0.291 293 S C 0.435 175.006 174.600 -0.049 0.000 1.151 293 S CA -0.830 57.338 58.200 -0.053 0.000 1.082 293 S CB 1.489 64.663 63.200 -0.043 0.000 1.019 293 S HN 0.431 nan 8.310 nan 0.000 0.492 294 V N 3.637 123.531 119.914 -0.034 0.000 3.596 294 V HA 0.395 4.515 4.120 -0.000 0.000 0.289 294 V C 1.778 177.858 176.094 -0.024 0.000 1.336 294 V CA 0.666 62.947 62.300 -0.031 0.000 1.137 294 V CB -0.659 31.156 31.823 -0.014 0.000 0.966 294 V HN 0.823 nan 8.190 nan 0.000 0.428 295 G N 1.736 110.523 108.800 -0.022 0.000 2.459 295 G HA2 -0.135 3.824 3.960 -0.000 0.000 0.217 295 G HA3 -0.135 3.824 3.960 -0.000 0.000 0.217 295 G C -0.122 174.762 174.900 -0.027 0.000 1.183 295 G CA 1.446 46.534 45.100 -0.020 0.000 0.776 295 G HN 0.596 nan 8.290 nan 0.000 0.552 296 P HA -0.045 nan 4.420 nan 0.000 0.216 296 P C 2.019 179.297 177.300 -0.036 0.000 1.153 296 P CA 0.475 63.557 63.100 -0.031 0.000 0.848 296 P CB -0.073 31.608 31.700 -0.031 0.000 0.787 297 L N -0.991 120.201 121.223 -0.051 0.000 2.046 297 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 297 L C 2.126 178.964 176.870 -0.052 0.000 1.077 297 L CA 1.828 56.624 54.840 -0.073 0.000 0.747 297 L CB -1.282 40.718 42.059 -0.099 0.000 0.896 297 L HN -0.124 nan 8.230 nan 0.000 0.432 298 L N -0.819 120.385 121.223 -0.031 0.000 2.056 298 L HA -0.115 4.224 4.340 -0.000 0.000 0.207 298 L C 2.683 179.539 176.870 -0.024 0.000 1.078 298 L CA 1.007 55.839 54.840 -0.012 0.000 0.749 298 L CB -0.963 41.101 42.059 0.009 0.000 0.901 298 L HN 0.359 nan 8.230 nan 0.000 0.433 299 A N 0.281 123.081 122.820 -0.034 0.000 1.908 299 A HA -0.275 4.044 4.320 -0.000 0.000 0.218 299 A C 2.201 179.758 177.584 -0.046 0.000 1.181 299 A CA 2.092 54.098 52.037 -0.052 0.000 0.627 299 A CB -0.480 18.492 19.000 -0.046 0.000 0.818 299 A HN 0.424 nan 8.150 nan 0.000 0.445 300 E N 0.042 120.231 120.200 -0.019 0.000 2.150 300 E HA 0.013 4.362 4.350 -0.000 0.000 0.193 300 E C 1.918 178.533 176.600 0.025 0.000 0.985 300 E CA 1.359 57.768 56.400 0.015 0.000 0.814 300 E CB -0.373 29.355 29.700 0.046 0.000 0.752 300 E HN 0.470 nan 8.360 nan 0.000 0.466 301 A N 0.634 123.458 122.820 0.006 0.000 1.898 301 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 301 A C 2.288 179.886 177.584 0.023 0.000 1.181 301 A CA 1.330 53.384 52.037 0.028 0.000 0.620 301 A CB -0.648 18.366 19.000 0.022 0.000 0.819 301 A HN 0.356 nan 8.150 nan 0.000 0.442 302 I N -0.754 119.794 120.570 -0.037 0.000 2.127 302 I HA -0.283 3.887 4.170 -0.000 0.000 0.241 302 I C 2.288 178.325 176.117 -0.134 0.000 1.075 302 I CA 1.366 62.576 61.300 -0.151 0.000 1.334 302 I CB -0.347 37.477 38.000 -0.294 0.000 1.040 302 I HN 0.250 nan 8.210 nan 0.000 0.405 303 I N 0.647 121.166 120.570 -0.084 0.000 2.127 303 I HA -0.297 3.873 4.170 -0.000 0.000 0.241 303 I C 2.652 178.801 176.117 0.054 0.000 1.075 303 I CA 1.684 62.973 61.300 -0.019 0.000 1.334 303 I CB -0.544 37.447 38.000 -0.015 0.000 1.040 303 I HN 0.085 nan 8.210 nan 0.000 0.405 304 R N -0.469 120.065 120.500 0.057 0.000 2.081 304 R HA -0.126 4.213 4.340 -0.000 0.000 0.235 304 R C 2.298 178.655 176.300 0.095 0.000 1.131 304 R CA 1.451 57.597 56.100 0.077 0.000 0.960 304 R CB -0.713 29.648 30.300 0.101 0.000 0.856 304 R HN 0.235 nan 8.270 nan 0.000 0.436 305 V N 0.099 120.082 119.914 0.115 0.000 2.343 305 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 305 V C 2.118 178.322 176.094 0.183 0.000 1.051 305 V CA 2.122 64.514 62.300 0.154 0.000 1.036 305 V CB -0.555 31.392 31.823 0.208 0.000 0.654 305 V HN 0.365 nan 8.190 nan 0.000 0.451 306 H N 0.477 119.598 119.070 0.085 0.000 2.428 306 H HA -0.023 4.533 4.556 -0.000 0.000 0.296 306 H C 1.900 177.264 175.328 0.059 0.000 1.062 306 H CA 1.380 57.487 56.048 0.099 0.000 1.350 306 H CB 0.270 30.045 29.762 0.021 0.000 1.403 306 H HN 0.418 nan 8.280 nan 0.000 0.533 307 E N 0.788 121.026 120.200 0.063 0.000 2.419 307 E HA -0.018 4.332 4.350 -0.000 0.000 0.190 307 E C -0.223 176.373 176.600 -0.007 0.000 1.040 307 E CA 0.030 56.430 56.400 0.001 0.000 0.900 307 E CB 0.316 30.038 29.700 0.038 0.000 1.054 307 E HN 0.568 nan 8.360 nan 0.000 0.462 308 Q N 0.974 120.776 119.800 0.004 0.000 2.435 308 Q HA -0.238 4.102 4.340 -0.000 0.000 0.312 308 Q C -0.446 175.568 176.000 0.024 0.000 1.333 308 Q CA 0.710 56.522 55.803 0.015 0.000 0.883 308 Q CB -1.391 27.342 28.738 -0.008 0.000 1.170 308 Q HN 0.443 nan 8.270 nan 0.000 0.443 309 Q N -0.319 119.503 119.800 0.038 0.000 2.241 309 Q HA 0.544 4.884 4.340 -0.000 0.000 0.262 309 Q C -0.038 176.001 176.000 0.065 0.000 1.014 309 Q CA -0.659 55.166 55.803 0.036 0.000 0.885 309 Q CB 1.571 30.323 28.738 0.023 0.000 1.311 309 Q HN 0.184 nan 8.270 nan 0.000 0.461 310 S N -0.018 115.723 115.700 0.070 0.000 2.537 310 S HA 0.039 4.509 4.470 -0.000 0.000 0.286 310 S C 0.576 175.277 174.600 0.168 0.000 1.299 310 S CA -0.364 57.899 58.200 0.105 0.000 1.067 310 S CB 0.450 63.710 63.200 0.099 0.000 0.864 310 S HN 0.485 nan 8.310 nan 0.000 0.494 311 V N 5.001 125.025 119.914 0.183 0.000 3.354 311 V HA 0.001 4.121 4.120 -0.000 0.000 0.258 311 V C 2.199 178.493 176.094 0.333 0.000 1.159 311 V CA 1.180 63.621 62.300 0.236 0.000 1.125 311 V CB -0.194 31.758 31.823 0.215 0.000 0.774 311 V HN 0.922 nan 8.190 nan 0.000 0.464 312 S N 0.014 115.891 115.700 0.295 0.000 2.465 312 S HA -0.238 4.232 4.470 -0.000 0.000 0.241 312 S C 1.779 176.598 174.600 0.365 0.000 1.000 312 S CA 1.651 60.048 58.200 0.329 0.000 0.964 312 S CB -0.454 62.816 63.200 0.116 0.000 0.763 312 S HN 0.823 nan 8.310 nan 0.000 0.512 313 Y N 1.913 122.319 120.300 0.177 0.000 2.403 313 Y HA 0.017 4.567 4.550 -0.000 0.000 0.291 313 Y C 1.443 177.387 175.900 0.074 0.000 1.143 313 Y CA 0.966 59.129 58.100 0.105 0.000 1.257 313 Y CB -0.424 38.070 38.460 0.057 0.000 0.984 313 Y HN 0.184 nan 8.280 nan 0.000 0.550 314 L N -0.540 120.416 121.223 -0.445 0.000 2.552 314 L HA 0.014 4.354 4.340 -0.000 0.000 0.227 314 L C 0.133 176.643 176.870 -0.599 0.000 1.146 314 L CA -0.038 54.397 54.840 -0.676 0.000 0.858 314 L CB -0.376 41.373 42.059 -0.517 0.000 0.969 314 L HN 0.083 nan 8.230 nan 0.000 0.451 315 F N 0.000 119.822 119.950 -0.213 0.000 2.286 315 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 315 F CA 0.000 57.917 58.000 -0.138 0.000 1.383 315 F CB 0.000 38.946 39.000 -0.091 0.000 1.145 315 F HN 0.000 nan 8.300 nan 0.000 0.574