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 2zbl_1_E DATA FIRST_RESID 1 DATA SEQUENCE MKWFNTLSHN RWLEQETDRI FNFGKNAVVP TGFGWLGNKG QIKEEMGTHL DATA SEQUENCE WITARMLHVY SVAASMGRPG AYDLVDHGIK AMNGALRDKK YGGWYACVND DATA SEQUENCE QGVVDASKQG YQHFFALLGA ASAVTTGHPE ARKLLDYTIE VIEKYFWSEE DATA SEQUENCE EQMCLESWDE AFSQTEDYRG GNANMHAVEA FLIVYDVTHD KKWLDRALRI DATA SEQUENCE ASVIIHDVAR NGDYRVNEHF DSQWNPIRDY NKDNPAHRFR AYGGTPGAWI DATA SEQUENCE EWGRLMLHLH AALEARFETP PAWLLEDAKG LFHATIRDAW APDGADGFVY DATA SEQUENCE SVDWDGKPIV RERVRWPIVE AMGTAYALYT LTDDSQYEEW YQKWWDYCIK DATA SEQUENCE YLMDYENGSW WQELDADNKV TTKVWDGKQD IYHLLHCLVI PRLPLAPGLA DATA SEQUENCE PAVAAGLLDI NAXXXXXHHH H VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.189 176.300 -0.185 0.000 1.140 1 M CA 0.000 55.236 55.300 -0.107 0.000 0.988 1 M CB 0.000 32.576 32.600 -0.040 0.000 1.302 2 K N 1.343 121.697 120.400 -0.076 0.000 2.263 2 K HA 0.512 4.847 4.320 0.025 0.000 0.272 2 K C -0.974 175.674 176.600 0.080 0.000 1.033 2 K CA 0.098 56.290 56.287 -0.158 0.000 0.884 2 K CB 0.773 33.020 32.500 -0.421 0.000 1.107 2 K HN 0.705 nan 8.250 nan 0.000 0.460 3 W N 3.417 124.505 121.300 -0.353 0.000 3.178 3 W HA 0.287 4.962 4.660 0.024 0.000 0.241 3 W C -0.070 176.361 176.519 -0.147 0.000 1.122 3 W CA -0.544 56.590 57.345 -0.352 0.000 1.595 3 W CB -0.607 28.439 29.460 -0.689 0.000 0.918 3 W HN 0.394 nan 8.180 nan 0.000 0.700 4 F N 2.872 122.860 119.950 0.063 0.000 2.607 4 F HA -0.066 4.474 4.527 0.022 0.000 0.374 4 F C 1.124 177.002 175.800 0.131 0.000 1.104 4 F CA 0.882 58.928 58.000 0.077 0.000 1.296 4 F CB -0.160 38.783 39.000 -0.095 0.000 1.085 4 F HN 0.098 nan 8.300 nan 0.000 0.584 5 N N -0.497 118.453 118.700 0.418 0.000 2.741 5 N HA -0.189 4.566 4.740 0.025 0.000 0.250 5 N C -0.696 174.950 175.510 0.226 0.000 1.115 5 N CA 0.639 53.861 53.050 0.287 0.000 0.724 5 N CB -1.294 37.355 38.487 0.271 0.000 1.090 5 N HN 0.642 nan 8.380 nan 0.000 0.558 6 T N -2.748 111.945 114.554 0.233 0.000 2.823 6 T HA 0.570 4.935 4.350 0.025 0.000 0.279 6 T C 1.118 175.923 174.700 0.175 0.000 0.998 6 T CA -1.043 61.178 62.100 0.201 0.000 0.994 6 T CB 1.850 70.825 68.868 0.179 0.000 0.960 6 T HN 0.096 nan 8.240 nan 0.000 0.448 7 L N 2.224 123.529 121.223 0.137 0.000 2.083 7 L HA -0.090 4.265 4.340 0.025 0.000 0.209 7 L C 3.096 180.008 176.870 0.070 0.000 1.083 7 L CA 1.531 56.428 54.840 0.095 0.000 0.752 7 L CB -0.691 41.414 42.059 0.076 0.000 0.899 7 L HN 0.934 nan 8.230 nan 0.000 0.433 8 S N -1.001 114.741 115.700 0.070 0.000 2.359 8 S HA -0.319 4.166 4.470 0.025 0.000 0.224 8 S C 1.943 176.551 174.600 0.013 0.000 1.035 8 S CA 1.617 59.836 58.200 0.031 0.000 1.018 8 S CB -0.708 62.500 63.200 0.013 0.000 0.876 8 S HN 0.536 nan 8.310 nan 0.000 0.448 9 H N 2.445 121.463 119.070 -0.086 0.000 2.357 9 H HA 0.115 4.685 4.556 0.023 0.000 0.301 9 H C 1.851 177.192 175.328 0.021 0.000 1.082 9 H CA 1.864 57.821 56.048 -0.151 0.000 1.342 9 H CB -0.535 29.125 29.762 -0.170 0.000 1.389 9 H HN 0.341 nan 8.280 nan 0.000 0.511 10 N N 0.270 118.959 118.700 -0.019 0.000 2.244 10 N HA -0.081 4.674 4.740 0.025 0.000 0.183 10 N C 1.876 177.351 175.510 -0.058 0.000 1.016 10 N CA 0.839 53.863 53.050 -0.043 0.000 0.866 10 N CB -0.181 38.342 38.487 0.060 0.000 0.980 10 N HN 0.386 nan 8.380 nan 0.000 0.430 11 R N -0.760 119.723 120.500 -0.029 0.000 2.081 11 R HA -0.137 4.218 4.340 0.025 0.000 0.235 11 R C 1.962 178.216 176.300 -0.076 0.000 1.131 11 R CA 1.273 57.350 56.100 -0.038 0.000 0.960 11 R CB -0.420 29.872 30.300 -0.012 0.000 0.856 11 R HN 0.344 nan 8.270 nan 0.000 0.436 12 W N 1.555 122.708 121.300 -0.245 0.000 2.335 12 W HA -0.183 4.490 4.660 0.022 0.000 0.311 12 W C 1.697 178.031 176.519 -0.308 0.000 1.213 12 W CA 1.416 58.586 57.345 -0.292 0.000 1.274 12 W CB -0.264 28.960 29.460 -0.393 0.000 1.148 12 W HN -0.019 nan 8.180 nan 0.000 0.498 13 L N 0.097 121.243 121.223 -0.129 0.000 2.012 13 L HA -0.246 4.109 4.340 0.025 0.000 0.210 13 L C 2.504 179.242 176.870 -0.219 0.000 1.073 13 L CA 2.057 56.806 54.840 -0.152 0.000 0.748 13 L CB -1.083 40.932 42.059 -0.073 0.000 0.891 13 L HN 0.084 nan 8.230 nan 0.000 0.431 14 E N -0.089 120.005 120.200 -0.176 0.000 2.110 14 E HA -0.261 4.104 4.350 0.025 0.000 0.193 14 E C 2.203 178.671 176.600 -0.219 0.000 0.988 14 E CA 1.192 57.499 56.400 -0.155 0.000 0.804 14 E CB 0.096 29.747 29.700 -0.081 0.000 0.745 14 E HN 0.512 nan 8.360 nan 0.000 0.458 15 Q N -0.079 119.548 119.800 -0.288 0.000 2.119 15 Q HA -0.191 4.164 4.340 0.025 0.000 0.201 15 Q C 2.023 177.806 176.000 -0.362 0.000 0.972 15 Q CA 1.415 57.041 55.803 -0.296 0.000 0.847 15 Q CB -0.009 28.539 28.738 -0.317 0.000 0.903 15 Q HN 0.141 nan 8.270 nan 0.000 0.433 16 E N 0.329 120.194 120.200 -0.558 0.000 2.072 16 E HA -0.141 4.224 4.350 0.025 0.000 0.191 16 E C 1.730 178.143 176.600 -0.311 0.000 0.985 16 E CA 1.809 57.928 56.400 -0.468 0.000 0.801 16 E CB -0.214 29.092 29.700 -0.656 0.000 0.750 16 E HN 0.218 nan 8.360 nan 0.000 0.452 17 T N 1.096 115.439 114.554 -0.352 0.000 2.720 17 T HA -0.157 4.208 4.350 0.025 0.000 0.268 17 T C 1.248 175.551 174.700 -0.662 0.000 1.037 17 T CA 1.465 63.239 62.100 -0.544 0.000 1.144 17 T CB -0.414 68.122 68.868 -0.553 0.000 0.864 17 T HN 0.216 nan 8.240 nan 0.000 0.444 18 D N 0.575 120.778 120.400 -0.329 0.000 2.144 18 D HA -0.052 4.603 4.640 0.025 0.000 0.199 18 D C 2.291 178.572 176.300 -0.032 0.000 0.984 18 D CA 0.775 54.724 54.000 -0.086 0.000 0.834 18 D CB -0.260 40.541 40.800 0.001 0.000 0.955 18 D HN 0.297 nan 8.370 nan 0.000 0.465 19 R N 0.310 120.760 120.500 -0.083 0.000 2.091 19 R HA -0.141 4.214 4.340 0.025 0.000 0.238 19 R C 2.140 178.446 176.300 0.011 0.000 1.136 19 R CA 0.933 57.022 56.100 -0.018 0.000 0.959 19 R CB -0.032 30.245 30.300 -0.038 0.000 0.856 19 R HN 0.103 nan 8.270 nan 0.000 0.437 20 I N 0.158 120.668 120.570 -0.100 0.000 2.233 20 I HA -0.221 3.964 4.170 0.025 0.000 0.243 20 I C 2.040 178.209 176.117 0.087 0.000 1.093 20 I CA 1.195 62.442 61.300 -0.088 0.000 1.380 20 I CB -1.272 36.565 38.000 -0.271 0.000 1.067 20 I HN 0.071 nan 8.210 nan 0.000 0.413 21 F N 1.879 121.840 119.950 0.019 0.000 2.126 21 F HA -0.214 4.327 4.527 0.023 0.000 0.299 21 F C 2.420 178.346 175.800 0.210 0.000 1.096 21 F CA 1.061 59.112 58.000 0.084 0.000 1.255 21 F CB -1.558 37.487 39.000 0.074 0.000 0.997 21 F HN 0.211 nan 8.300 nan 0.000 0.479 22 N N -0.223 118.681 118.700 0.340 0.000 2.120 22 N HA -0.217 4.538 4.740 0.025 0.000 0.188 22 N C 1.920 177.561 175.510 0.219 0.000 1.024 22 N CA 1.134 54.324 53.050 0.234 0.000 0.852 22 N CB -1.070 37.515 38.487 0.164 0.000 1.003 22 N HN 0.248 nan 8.380 nan 0.000 0.424 23 F N 1.482 121.487 119.950 0.093 0.000 2.126 23 F HA -0.083 4.459 4.527 0.025 0.000 0.299 23 F C 2.245 178.099 175.800 0.090 0.000 1.096 23 F CA 1.732 59.767 58.000 0.060 0.000 1.255 23 F CB -0.613 38.396 39.000 0.015 0.000 0.997 23 F HN 0.060 nan 8.300 nan 0.000 0.479 24 G N -0.228 108.750 108.800 0.297 0.000 2.471 24 G HA2 -0.224 3.751 3.960 0.025 0.000 0.219 24 G HA3 -0.224 3.751 3.960 0.025 0.000 0.219 24 G C 1.681 176.683 174.900 0.170 0.000 1.125 24 G CA 0.530 45.783 45.100 0.256 0.000 0.775 24 G HN 0.326 nan 8.290 nan 0.000 0.548 25 K N 0.464 120.934 120.400 0.118 0.000 2.152 25 K HA -0.108 4.227 4.320 0.025 0.000 0.206 25 K C 2.096 178.651 176.600 -0.075 0.000 1.048 25 K CA 1.269 57.529 56.287 -0.045 0.000 0.933 25 K CB -0.232 32.236 32.500 -0.052 0.000 0.721 25 K HN 0.374 nan 8.250 nan 0.000 0.447 26 N N 0.718 119.351 118.700 -0.111 0.000 2.430 26 N HA -0.148 4.607 4.740 0.025 0.000 0.186 26 N C 1.480 176.933 175.510 -0.096 0.000 1.032 26 N CA 0.703 53.666 53.050 -0.145 0.000 0.893 26 N CB -0.027 38.303 38.487 -0.262 0.000 0.957 26 N HN 0.189 nan 8.380 nan 0.000 0.442 27 A N 0.550 123.359 122.820 -0.019 0.000 2.167 27 A HA 0.082 4.418 4.320 0.025 0.000 0.214 27 A C 0.691 178.299 177.584 0.040 0.000 1.151 27 A CA 0.050 52.133 52.037 0.077 0.000 0.735 27 A CB 0.014 19.136 19.000 0.204 0.000 0.802 27 A HN 0.033 nan 8.150 nan 0.000 0.467 28 V N 1.620 121.465 119.914 -0.115 0.000 2.493 28 V HA 0.264 4.400 4.120 0.025 0.000 0.292 28 V C 0.348 176.274 176.094 -0.280 0.000 1.016 28 V CA 0.473 62.516 62.300 -0.429 0.000 1.097 28 V CB 0.185 31.663 31.823 -0.575 0.000 0.947 28 V HN 0.458 nan 8.190 nan 0.000 0.479 29 V N 3.260 123.038 119.914 -0.227 0.000 3.102 29 V HA 0.561 4.697 4.120 0.025 0.000 0.312 29 V C -2.214 173.878 176.094 -0.002 0.000 1.135 29 V CA -2.061 60.186 62.300 -0.088 0.000 1.022 29 V CB 1.729 33.536 31.823 -0.026 0.000 1.056 29 V HN 0.473 nan 8.190 nan 0.000 0.436 30 P HA -0.132 nan 4.420 nan 0.000 0.217 30 P C 1.361 178.665 177.300 0.007 0.000 1.151 30 P CA 2.551 65.675 63.100 0.041 0.000 0.849 30 P CB -0.030 31.673 31.700 0.006 0.000 0.787 31 T N -5.644 108.902 114.554 -0.013 0.000 3.107 31 T HA 0.514 4.879 4.350 0.025 0.000 0.249 31 T C 0.963 175.619 174.700 -0.072 0.000 1.096 31 T CA 0.338 62.417 62.100 -0.035 0.000 1.012 31 T CB 0.045 68.918 68.868 0.009 0.000 0.977 31 T HN 0.270 nan 8.240 nan 0.000 0.527 32 G N 1.058 109.788 108.800 -0.116 0.000 2.272 32 G HA2 0.256 4.231 3.960 0.025 0.000 0.068 32 G HA3 0.256 4.231 3.960 0.025 0.000 0.068 32 G C -1.667 173.068 174.900 -0.275 0.000 1.073 32 G CA -0.960 44.035 45.100 -0.175 0.000 1.154 32 G HN 0.271 nan 8.290 nan 0.000 0.429 33 F N 2.134 122.122 119.950 0.064 0.000 2.493 33 F HA 0.663 5.205 4.527 0.026 0.000 0.329 33 F C 0.996 176.806 175.800 0.017 0.000 1.126 33 F CA 0.121 58.139 58.000 0.029 0.000 0.937 33 F CB 2.149 41.141 39.000 -0.014 0.000 1.146 33 F HN 0.709 nan 8.300 nan 0.000 0.442 34 G N 1.191 110.096 108.800 0.175 0.000 2.535 34 G HA2 0.079 4.055 3.960 0.025 0.000 0.282 34 G HA3 0.079 4.055 3.960 0.025 0.000 0.282 34 G C -1.635 173.382 174.900 0.195 0.000 1.350 34 G CA -0.407 44.801 45.100 0.180 0.000 1.039 34 G HN 0.674 nan 8.290 nan 0.000 0.509 35 W N 1.266 122.586 121.300 0.034 0.000 2.283 35 W HA 0.524 5.199 4.660 0.026 0.000 0.317 35 W C -0.886 175.655 176.519 0.037 0.000 1.042 35 W CA -1.022 56.331 57.345 0.013 0.000 1.348 35 W CB 0.254 29.737 29.460 0.038 0.000 1.216 35 W HN 0.182 nan 8.180 nan 0.000 0.404 36 L N 6.053 127.374 121.223 0.162 0.000 2.397 36 L HA 0.386 4.741 4.340 0.025 0.000 0.271 36 L C 1.270 178.328 176.870 0.312 0.000 1.148 36 L CA -0.096 54.842 54.840 0.164 0.000 0.825 36 L CB 0.342 42.409 42.059 0.012 0.000 1.117 36 L HN 0.444 nan 8.230 nan 0.000 0.456 37 G N 1.158 110.125 108.800 0.278 0.000 2.537 37 G HA2 0.119 4.094 3.960 0.025 0.000 0.297 37 G HA3 0.119 4.094 3.960 0.025 0.000 0.297 37 G C 0.466 175.557 174.900 0.319 0.000 1.310 37 G CA -0.530 44.753 45.100 0.305 0.000 1.027 37 G HN 0.806 nan 8.290 nan 0.000 0.505 38 N N -1.023 117.854 118.700 0.295 0.000 2.430 38 N HA -0.094 4.661 4.740 0.025 0.000 0.186 38 N C 1.398 177.049 175.510 0.236 0.000 1.032 38 N CA 0.731 53.950 53.050 0.282 0.000 0.893 38 N CB 0.109 38.811 38.487 0.360 0.000 0.957 38 N HN 0.296 nan 8.380 nan 0.000 0.442 39 K N -0.352 120.190 120.400 0.237 0.000 2.564 39 K HA 0.127 4.462 4.320 0.025 0.000 0.205 39 K C 0.248 176.952 176.600 0.173 0.000 1.053 39 K CA -0.010 56.403 56.287 0.209 0.000 1.072 39 K CB 0.584 33.168 32.500 0.141 0.000 0.822 39 K HN 0.132 nan 8.250 nan 0.000 0.497 40 G N 1.946 110.831 108.800 0.142 0.000 2.143 40 G HA2 -0.309 3.666 3.960 0.025 0.000 0.248 40 G HA3 -0.309 3.666 3.960 0.025 0.000 0.248 40 G C -0.300 174.472 174.900 -0.214 0.000 0.991 40 G CA 0.731 45.606 45.100 -0.376 0.000 0.689 40 G HN 0.530 nan 8.290 nan 0.000 0.522 41 Q N -0.403 119.372 119.800 -0.041 0.000 2.257 41 Q HA 0.763 5.118 4.340 0.025 0.000 0.262 41 Q C 0.146 176.165 176.000 0.032 0.000 0.997 41 Q CA -1.287 54.506 55.803 -0.017 0.000 0.873 41 Q CB 1.714 30.459 28.738 0.011 0.000 1.312 41 Q HN 0.319 nan 8.270 nan 0.000 0.450 42 I N 1.875 122.463 120.570 0.030 0.000 2.556 42 I HA 0.014 4.199 4.170 0.025 0.000 0.284 42 I C 0.097 176.273 176.117 0.098 0.000 1.114 42 I CA 0.017 61.362 61.300 0.076 0.000 1.418 42 I CB 0.447 38.478 38.000 0.051 0.000 1.394 42 I HN 0.450 nan 8.210 nan 0.000 0.552 43 K N 7.158 127.648 120.400 0.151 0.000 2.183 43 K HA 0.111 4.446 4.320 0.025 0.000 0.272 43 K C 0.582 177.224 176.600 0.069 0.000 1.113 43 K CA -0.342 56.002 56.287 0.095 0.000 0.949 43 K CB 0.634 33.174 32.500 0.068 0.000 1.365 43 K HN 0.473 nan 8.250 nan 0.000 0.420 44 E N 2.028 122.257 120.200 0.050 0.000 2.160 44 E HA -0.226 4.139 4.350 0.025 0.000 0.195 44 E C 1.626 178.243 176.600 0.029 0.000 0.991 44 E CA 1.097 57.524 56.400 0.044 0.000 0.810 44 E CB 0.225 29.942 29.700 0.028 0.000 0.742 44 E HN 0.630 nan 8.360 nan 0.000 0.466 45 E N 0.597 120.798 120.200 0.002 0.000 2.409 45 E HA -0.155 4.210 4.350 0.025 0.000 0.198 45 E C 1.472 178.055 176.600 -0.029 0.000 1.024 45 E CA 0.692 57.081 56.400 -0.018 0.000 0.861 45 E CB -0.076 29.603 29.700 -0.035 0.000 0.788 45 E HN 0.184 nan 8.360 nan 0.000 0.521 46 M N 0.545 120.126 119.600 -0.031 0.000 2.514 46 M HA 0.196 4.691 4.480 0.025 0.000 0.258 46 M C 1.304 177.736 176.300 0.220 0.000 1.119 46 M CA 0.901 56.200 55.300 -0.002 0.000 1.111 46 M CB -0.624 31.815 32.600 -0.268 0.000 1.390 46 M HN 0.220 nan 8.290 nan 0.000 0.475 47 G N 0.926 109.816 108.800 0.150 0.000 2.645 47 G HA2 -0.224 3.751 3.960 0.025 0.000 0.246 47 G HA3 -0.224 3.751 3.960 0.025 0.000 0.246 47 G C -0.370 174.664 174.900 0.222 0.000 1.322 47 G CA -0.131 45.046 45.100 0.128 0.000 0.898 47 G HN 0.315 nan 8.290 nan 0.000 0.573 48 T N 1.268 115.902 114.554 0.134 0.000 2.821 48 T HA 0.569 4.934 4.350 0.025 0.000 0.307 48 T C -0.210 174.565 174.700 0.126 0.000 1.034 48 T CA -0.187 62.007 62.100 0.156 0.000 0.953 48 T CB 0.729 69.653 68.868 0.094 0.000 0.968 48 T HN 0.636 nan 8.240 nan 0.000 0.462 49 H N 1.878 120.998 119.070 0.082 0.000 2.525 49 H HA 0.281 4.852 4.556 0.025 0.000 0.339 49 H C 1.036 176.360 175.328 -0.005 0.000 1.109 49 H CA -0.882 55.209 56.048 0.072 0.000 1.352 49 H CB 1.040 30.782 29.762 -0.034 0.000 1.461 49 H HN 0.338 nan 8.280 nan 0.000 0.533 50 L N 3.545 124.890 121.223 0.203 0.000 1.994 50 L HA -0.160 4.196 4.340 0.025 0.000 0.208 50 L C 2.035 178.943 176.870 0.064 0.000 1.071 50 L CA 1.530 56.439 54.840 0.115 0.000 0.745 50 L CB -0.654 41.490 42.059 0.142 0.000 0.892 50 L HN 0.827 nan 8.230 nan 0.000 0.431 51 W N -0.107 121.209 121.300 0.026 0.000 2.338 51 W HA -0.196 4.479 4.660 0.025 0.000 0.304 51 W C 2.120 178.491 176.519 -0.247 0.000 1.212 51 W CA 1.317 58.584 57.345 -0.129 0.000 1.264 51 W CB -1.534 27.879 29.460 -0.079 0.000 1.142 51 W HN 0.210 nan 8.180 nan 0.000 0.512 52 I N 1.519 121.586 120.570 -0.838 0.000 2.202 52 I HA -0.259 3.926 4.170 0.025 0.000 0.242 52 I C 2.612 178.507 176.117 -0.370 0.000 1.091 52 I CA 2.140 62.964 61.300 -0.794 0.000 1.368 52 I CB -0.977 36.511 38.000 -0.853 0.000 1.058 52 I HN -0.082 nan 8.210 nan 0.000 0.410 53 T N 0.882 115.342 114.554 -0.156 0.000 2.708 53 T HA -0.166 4.200 4.350 0.025 0.000 0.266 53 T C 2.053 176.703 174.700 -0.084 0.000 1.037 53 T CA 1.552 63.683 62.100 0.052 0.000 1.146 53 T CB -0.310 68.636 68.868 0.129 0.000 0.865 53 T HN 0.475 nan 8.240 nan 0.000 0.435 54 A N 1.625 124.355 122.820 -0.149 0.000 1.898 54 A HA -0.081 4.254 4.320 0.025 0.000 0.216 54 A C 2.377 179.866 177.584 -0.159 0.000 1.181 54 A CA 1.309 53.252 52.037 -0.158 0.000 0.620 54 A CB -0.474 18.434 19.000 -0.153 0.000 0.819 54 A HN 0.395 nan 8.150 nan 0.000 0.442 55 R N -1.193 119.141 120.500 -0.277 0.000 2.091 55 R HA -0.103 4.252 4.340 0.025 0.000 0.238 55 R C 2.166 178.339 176.300 -0.212 0.000 1.136 55 R CA 1.640 57.549 56.100 -0.317 0.000 0.959 55 R CB -0.344 29.615 30.300 -0.569 0.000 0.856 55 R HN 0.414 nan 8.270 nan 0.000 0.437 56 M N 0.253 119.625 119.600 -0.381 0.000 2.175 56 M HA -0.115 4.380 4.480 0.025 0.000 0.264 56 M C 2.244 178.335 176.300 -0.349 0.000 1.063 56 M CA 1.078 56.049 55.300 -0.549 0.000 1.119 56 M CB -0.870 30.884 32.600 -1.411 0.000 1.377 56 M HN 0.152 nan 8.290 nan 0.000 0.415 57 L N 0.368 121.450 121.223 -0.234 0.000 2.012 57 L HA -0.237 4.119 4.340 0.025 0.000 0.210 57 L C 2.702 179.554 176.870 -0.029 0.000 1.073 57 L CA 2.065 56.870 54.840 -0.058 0.000 0.748 57 L CB -1.195 40.842 42.059 -0.036 0.000 0.891 57 L HN 0.416 nan 8.230 nan 0.000 0.431 58 H N -1.064 117.943 119.070 -0.105 0.000 2.319 58 H HA -0.128 4.443 4.556 0.026 0.000 0.299 58 H C 2.081 177.357 175.328 -0.086 0.000 1.092 58 H CA 2.386 58.398 56.048 -0.059 0.000 1.302 58 H CB 0.020 29.781 29.762 -0.002 0.000 1.373 58 H HN 0.282 nan 8.280 nan 0.000 0.497 59 V N 0.681 120.455 119.914 -0.233 0.000 2.295 59 V HA -0.277 3.858 4.120 0.025 0.000 0.246 59 V C 2.220 177.957 176.094 -0.595 0.000 1.049 59 V CA 1.992 64.043 62.300 -0.416 0.000 1.024 59 V CB -0.934 30.637 31.823 -0.420 0.000 0.648 59 V HN 0.416 nan 8.190 nan 0.000 0.447 60 Y N 0.177 120.321 120.300 -0.259 0.000 2.516 60 Y HA -0.071 4.495 4.550 0.025 0.000 0.291 60 Y C 2.699 178.460 175.900 -0.232 0.000 1.131 60 Y CA 0.954 58.882 58.100 -0.287 0.000 1.281 60 Y CB -0.524 37.816 38.460 -0.201 0.000 1.013 60 Y HN 0.152 nan 8.280 nan 0.000 0.554 61 S N -0.414 115.215 115.700 -0.118 0.000 2.356 61 S HA -0.174 4.311 4.470 0.025 0.000 0.223 61 S C 2.259 176.783 174.600 -0.128 0.000 1.032 61 S CA 1.522 59.668 58.200 -0.089 0.000 1.005 61 S CB -0.668 62.480 63.200 -0.085 0.000 0.867 61 S HN 0.237 nan 8.310 nan 0.000 0.449 62 V N 2.115 121.891 119.914 -0.230 0.000 2.287 62 V HA -0.226 3.910 4.120 0.025 0.000 0.248 62 V C 2.657 178.646 176.094 -0.174 0.000 1.053 62 V CA 1.778 63.977 62.300 -0.169 0.000 1.027 62 V CB -1.265 30.461 31.823 -0.162 0.000 0.646 62 V HN 0.549 nan 8.190 nan 0.000 0.447 63 A N -0.110 122.436 122.820 -0.457 0.000 1.933 63 A HA -0.116 4.219 4.320 0.025 0.000 0.218 63 A C 2.409 179.836 177.584 -0.261 0.000 1.175 63 A CA 2.121 53.720 52.037 -0.730 0.000 0.628 63 A CB -0.727 17.364 19.000 -1.516 0.000 0.814 63 A HN 0.584 nan 8.150 nan 0.000 0.444 64 A N -0.704 122.037 122.820 -0.131 0.000 1.898 64 A HA -0.048 4.287 4.320 0.025 0.000 0.216 64 A C 2.405 179.994 177.584 0.008 0.000 1.181 64 A CA 1.931 53.971 52.037 0.005 0.000 0.620 64 A CB -0.849 18.224 19.000 0.123 0.000 0.819 64 A HN 0.436 nan 8.150 nan 0.000 0.442 65 S N -0.407 115.291 115.700 -0.003 0.000 2.419 65 S HA -0.082 4.403 4.470 0.025 0.000 0.233 65 S C 1.695 176.302 174.600 0.013 0.000 1.016 65 S CA 1.494 59.699 58.200 0.008 0.000 0.974 65 S CB -0.355 62.849 63.200 0.006 0.000 0.786 65 S HN 0.580 nan 8.310 nan 0.000 0.492 66 M N 0.325 119.932 119.600 0.012 0.000 2.618 66 M HA 0.143 4.638 4.480 0.025 0.000 0.240 66 M C 1.303 177.626 176.300 0.037 0.000 1.123 66 M CA 0.403 55.731 55.300 0.046 0.000 1.060 66 M CB 0.032 32.698 32.600 0.111 0.000 1.535 66 M HN 0.424 nan 8.290 nan 0.000 0.507 67 G N 1.461 110.270 108.800 0.016 0.000 2.171 67 G HA2 -0.231 3.745 3.960 0.025 0.000 0.238 67 G HA3 -0.231 3.745 3.960 0.025 0.000 0.238 67 G C -0.365 174.545 174.900 0.017 0.000 1.039 67 G CA -0.299 44.808 45.100 0.012 0.000 0.759 67 G HN 0.324 nan 8.290 nan 0.000 0.501 68 R N 0.865 121.373 120.500 0.012 0.000 2.196 68 R HA 0.518 4.874 4.340 0.025 0.000 0.340 68 R C -2.120 174.190 176.300 0.016 0.000 1.043 68 R CA -1.974 54.138 56.100 0.021 0.000 0.883 68 R CB 0.436 30.740 30.300 0.007 0.000 1.078 68 R HN 0.160 nan 8.270 nan 0.000 0.462 69 P HA 0.058 nan 4.420 nan 0.000 0.265 69 P C 0.715 178.026 177.300 0.018 0.000 1.187 69 P CA 0.833 63.944 63.100 0.019 0.000 0.766 69 P CB 0.802 32.510 31.700 0.013 0.000 0.820 70 G N 1.958 110.771 108.800 0.023 0.000 2.299 70 G HA2 -0.344 3.631 3.960 0.025 0.000 0.237 70 G HA3 -0.344 3.631 3.960 0.025 0.000 0.237 70 G C 1.242 176.133 174.900 -0.015 0.000 1.027 70 G CA 0.595 45.694 45.100 -0.003 0.000 0.619 70 G HN 0.696 nan 8.290 nan 0.000 0.513 71 A N -0.308 122.521 122.820 0.015 0.000 1.902 71 A HA 0.183 4.518 4.320 0.025 0.000 0.217 71 A C 1.981 179.613 177.584 0.079 0.000 1.181 71 A CA 2.234 54.292 52.037 0.034 0.000 0.623 71 A CB -0.584 18.430 19.000 0.023 0.000 0.818 71 A HN 1.223 nan 8.150 nan 0.000 0.443 72 Y N 0.726 121.028 120.300 0.005 0.000 2.274 72 Y HA -0.207 4.358 4.550 0.026 0.000 0.290 72 Y C 2.020 177.957 175.900 0.062 0.000 1.145 72 Y CA 1.831 59.957 58.100 0.043 0.000 1.203 72 Y CB -0.131 38.351 38.460 0.037 0.000 0.984 72 Y HN 0.356 nan 8.280 nan 0.000 0.533 73 D N 0.016 120.475 120.400 0.099 0.000 2.144 73 D HA -0.175 4.481 4.640 0.025 0.000 0.199 73 D C 2.113 178.394 176.300 -0.033 0.000 0.984 73 D CA 1.332 55.345 54.000 0.023 0.000 0.834 73 D CB -0.158 40.649 40.800 0.012 0.000 0.955 73 D HN 0.430 nan 8.370 nan 0.000 0.465 74 L N -0.305 120.885 121.223 -0.056 0.000 2.156 74 L HA -0.086 4.269 4.340 0.025 0.000 0.208 74 L C 2.526 179.461 176.870 0.109 0.000 1.095 74 L CA 0.249 55.088 54.840 -0.002 0.000 0.770 74 L CB -0.187 41.724 42.059 -0.247 0.000 0.914 74 L HN -0.063 nan 8.230 nan 0.000 0.439 75 V N 0.309 120.211 119.914 -0.021 0.000 2.295 75 V HA -0.337 3.798 4.120 0.025 0.000 0.246 75 V C 2.198 178.156 176.094 -0.226 0.000 1.049 75 V CA 2.309 64.539 62.300 -0.117 0.000 1.024 75 V CB -0.462 31.228 31.823 -0.220 0.000 0.648 75 V HN 0.484 nan 8.190 nan 0.000 0.447 76 D N -1.051 119.192 120.400 -0.261 0.000 2.117 76 D HA -0.249 4.406 4.640 0.025 0.000 0.197 76 D C 2.175 178.429 176.300 -0.076 0.000 0.987 76 D CA 1.577 55.472 54.000 -0.174 0.000 0.829 76 D CB -0.241 40.554 40.800 -0.008 0.000 0.961 76 D HN 0.585 nan 8.370 nan 0.000 0.460 77 H N -0.529 118.475 119.070 -0.110 0.000 2.319 77 H HA -0.109 4.462 4.556 0.025 0.000 0.299 77 H C 2.061 177.338 175.328 -0.085 0.000 1.092 77 H CA 1.876 57.852 56.048 -0.121 0.000 1.302 77 H CB -0.434 29.211 29.762 -0.195 0.000 1.373 77 H HN 0.307 nan 8.280 nan 0.000 0.497 78 G N 1.082 109.917 108.800 0.058 0.000 2.446 78 G HA2 -0.230 3.745 3.960 0.025 0.000 0.217 78 G HA3 -0.230 3.745 3.960 0.025 0.000 0.217 78 G C 1.972 176.827 174.900 -0.074 0.000 1.168 78 G CA 1.074 46.235 45.100 0.103 0.000 0.771 78 G HN 0.419 nan 8.290 nan 0.000 0.551 79 I N 0.255 120.736 120.570 -0.148 0.000 2.226 79 I HA -0.149 4.036 4.170 0.025 0.000 0.245 79 I C 2.833 178.884 176.117 -0.109 0.000 1.100 79 I CA 1.260 62.458 61.300 -0.169 0.000 1.374 79 I CB -0.181 37.609 38.000 -0.349 0.000 1.057 79 I HN 0.120 nan 8.210 nan 0.000 0.413 80 K N 0.844 121.163 120.400 -0.135 0.000 2.097 80 K HA -0.156 4.179 4.320 0.025 0.000 0.206 80 K C 2.253 178.782 176.600 -0.119 0.000 1.049 80 K CA 1.514 57.735 56.287 -0.110 0.000 0.933 80 K CB -0.261 32.165 32.500 -0.124 0.000 0.717 80 K HN 0.321 nan 8.250 nan 0.000 0.442 81 A N 1.006 123.705 122.820 -0.203 0.000 1.933 81 A HA -0.142 4.193 4.320 0.025 0.000 0.218 81 A C 1.996 179.584 177.584 0.007 0.000 1.175 81 A CA 1.334 53.279 52.037 -0.154 0.000 0.628 81 A CB -0.289 18.571 19.000 -0.233 0.000 0.814 81 A HN 0.140 nan 8.150 nan 0.000 0.444 82 M N 0.194 119.809 119.600 0.024 0.000 2.557 82 M HA 0.013 4.508 4.480 0.025 0.000 0.259 82 M C 0.605 177.127 176.300 0.369 0.000 1.086 82 M CA 0.768 56.174 55.300 0.177 0.000 1.096 82 M CB -1.102 31.510 32.600 0.021 0.000 1.424 82 M HN 0.354 nan 8.290 nan 0.000 0.488 83 N N 0.052 118.843 118.700 0.152 0.000 2.236 83 N HA 0.156 4.911 4.740 0.025 0.000 0.196 83 N C 1.089 176.624 175.510 0.043 0.000 1.114 83 N CA 0.282 53.383 53.050 0.085 0.000 0.859 83 N CB 0.970 39.472 38.487 0.025 0.000 0.982 83 N HN 0.326 nan 8.380 nan 0.000 0.493 84 G N 0.114 108.953 108.800 0.064 0.000 3.310 84 G HA2 0.457 4.432 3.960 0.025 0.000 0.176 84 G HA3 0.457 4.432 3.960 0.025 0.000 0.176 84 G C 0.999 175.950 174.900 0.086 0.000 1.307 84 G CA 0.414 45.538 45.100 0.040 0.000 0.935 84 G HN 0.093 nan 8.290 nan 0.000 0.628 85 A N -0.567 122.305 122.820 0.087 0.000 1.933 85 A HA 0.064 4.399 4.320 0.025 0.000 0.218 85 A C 2.413 180.154 177.584 0.262 0.000 1.175 85 A CA 1.295 53.413 52.037 0.135 0.000 0.628 85 A CB -0.580 18.470 19.000 0.083 0.000 0.814 85 A HN 0.364 nan 8.150 nan 0.000 0.444 86 L N -1.028 120.352 121.223 0.262 0.000 2.275 86 L HA -0.062 4.293 4.340 0.025 0.000 0.215 86 L C 1.628 178.722 176.870 0.373 0.000 1.119 86 L CA 0.420 55.492 54.840 0.387 0.000 0.790 86 L CB -0.185 42.075 42.059 0.335 0.000 0.919 86 L HN 0.341 nan 8.230 nan 0.000 0.443 87 R N 0.968 121.596 120.500 0.214 0.000 2.298 87 R HA 0.005 4.360 4.340 0.025 0.000 0.310 87 R C -0.386 175.733 176.300 -0.302 0.000 1.068 87 R CA -0.380 55.622 56.100 -0.163 0.000 0.957 87 R CB 0.488 30.696 30.300 -0.153 0.000 1.003 87 R HN -0.115 nan 8.270 nan 0.000 0.454 88 D N 4.413 124.446 120.400 -0.613 0.000 2.374 88 D HA 0.026 4.681 4.640 0.025 0.000 0.240 88 D C 0.263 176.415 176.300 -0.246 0.000 1.229 88 D CA -0.032 53.613 54.000 -0.591 0.000 0.895 88 D CB 0.960 41.333 40.800 -0.712 0.000 1.046 88 D HN 0.433 nan 8.370 nan 0.000 0.498 89 K N 3.211 123.526 120.400 -0.142 0.000 2.217 89 K HA -0.108 4.227 4.320 0.025 0.000 0.202 89 K C 1.600 178.124 176.600 -0.128 0.000 1.051 89 K CA 0.498 56.709 56.287 -0.126 0.000 0.952 89 K CB 0.289 32.739 32.500 -0.085 0.000 0.736 89 K HN 0.388 nan 8.250 nan 0.000 0.453 90 K N -0.111 120.188 120.400 -0.168 0.000 2.005 90 K HA -0.087 4.248 4.320 0.025 0.000 0.206 90 K C 1.362 177.744 176.600 -0.364 0.000 1.044 90 K CA 1.265 57.343 56.287 -0.347 0.000 0.942 90 K CB 0.061 32.221 32.500 -0.567 0.000 0.727 90 K HN 0.016 nan 8.250 nan 0.000 0.439 91 Y N -0.519 119.796 120.300 0.025 0.000 2.442 91 Y HA 0.319 4.884 4.550 0.025 0.000 0.250 91 Y C 0.676 176.674 175.900 0.165 0.000 1.113 91 Y CA 0.223 58.374 58.100 0.086 0.000 1.273 91 Y CB 1.116 39.612 38.460 0.060 0.000 1.138 91 Y HN 0.311 nan 8.280 nan 0.000 0.522 92 G N -0.453 108.463 108.800 0.194 0.000 2.662 92 G HA2 0.353 4.328 3.960 0.025 0.000 0.686 92 G HA3 0.353 4.328 3.960 0.025 0.000 0.686 92 G C 0.235 175.257 174.900 0.204 0.000 1.271 92 G CA -0.591 44.624 45.100 0.191 0.000 0.816 92 G HN 1.037 nan 8.290 nan 0.000 0.608 93 G N -0.434 108.363 108.800 -0.005 0.000 2.601 93 G HA2 0.025 4.001 3.960 0.025 0.000 0.252 93 G HA3 0.025 4.001 3.960 0.025 0.000 0.252 93 G C 0.122 174.739 174.900 -0.472 0.000 1.294 93 G CA 0.626 45.686 45.100 -0.067 0.000 0.912 93 G HN 1.797 nan 8.290 nan 0.000 0.574 94 W N -0.715 120.726 121.300 0.235 0.000 2.883 94 W HA 0.539 5.215 4.660 0.026 0.000 0.335 94 W C -0.591 175.927 176.519 -0.001 0.000 1.083 94 W CA -1.117 56.200 57.345 -0.048 0.000 1.233 94 W CB 1.266 30.647 29.460 -0.131 0.000 1.412 94 W HN 0.493 nan 8.180 nan 0.000 0.490 95 Y N 1.075 121.552 120.300 0.295 0.000 2.578 95 Y HA 0.066 4.631 4.550 0.025 0.000 0.339 95 Y C 1.479 177.503 175.900 0.208 0.000 1.231 95 Y CA 0.806 59.030 58.100 0.207 0.000 1.461 95 Y CB 0.192 38.734 38.460 0.137 0.000 1.323 95 Y HN 0.562 nan 8.280 nan 0.000 0.590 96 A N 1.243 124.271 122.820 0.347 0.000 1.969 96 A HA -0.003 4.332 4.320 0.025 0.000 0.218 96 A C 0.692 178.381 177.584 0.175 0.000 1.169 96 A CA 1.375 53.572 52.037 0.267 0.000 0.635 96 A CB -0.239 18.901 19.000 0.233 0.000 0.810 96 A HN 0.702 nan 8.150 nan 0.000 0.445 97 C N -0.685 118.676 119.300 0.103 0.000 2.891 97 C HA 0.587 5.063 4.460 0.025 0.000 0.342 97 C C -0.836 174.147 174.990 -0.011 0.000 1.126 97 C CA -0.248 58.736 59.018 -0.056 0.000 1.322 97 C CB 0.786 28.355 27.740 -0.285 0.000 1.763 97 C HN 0.970 nan 8.230 nan 0.000 0.491 98 V N 3.927 123.842 119.914 0.003 0.000 3.102 98 V HA 0.915 5.050 4.120 0.025 0.000 0.312 98 V C -0.867 175.227 176.094 -0.001 0.000 1.135 98 V CA -0.451 61.845 62.300 -0.006 0.000 1.022 98 V CB 2.100 33.949 31.823 0.043 0.000 1.056 98 V HN 1.112 nan 8.190 nan 0.000 0.436 99 N N -0.748 117.946 118.700 -0.010 0.000 3.229 99 N HA 0.446 5.201 4.740 0.025 0.000 0.315 99 N C 0.077 175.586 175.510 -0.001 0.000 1.520 99 N CA -0.392 52.660 53.050 0.003 0.000 0.769 99 N CB 0.439 38.927 38.487 0.003 0.000 1.766 99 N HN 0.493 nan 8.380 nan 0.000 0.618 100 D N -0.810 119.591 120.400 0.001 0.000 2.310 100 D HA -0.071 4.584 4.640 0.025 0.000 0.212 100 D C 0.673 176.969 176.300 -0.008 0.000 0.965 100 D CA 1.299 55.297 54.000 -0.002 0.000 0.879 100 D CB 0.089 40.888 40.800 -0.001 0.000 0.921 100 D HN 0.482 nan 8.370 nan 0.000 0.510 101 Q N -0.510 119.282 119.800 -0.013 0.000 2.402 101 Q HA 0.350 4.705 4.340 0.025 0.000 0.206 101 Q C 0.986 176.968 176.000 -0.029 0.000 0.919 101 Q CA 0.346 56.138 55.803 -0.018 0.000 0.923 101 Q CB 1.307 30.035 28.738 -0.017 0.000 1.048 101 Q HN 0.227 nan 8.270 nan 0.000 0.515 102 G N -1.337 107.439 108.800 -0.039 0.000 2.332 102 G HA2 0.028 4.004 3.960 0.025 0.000 0.265 102 G HA3 0.028 4.004 3.960 0.025 0.000 0.265 102 G C -1.588 173.248 174.900 -0.108 0.000 1.329 102 G CA -0.698 44.361 45.100 -0.068 0.000 0.949 102 G HN -0.141 nan 8.290 nan 0.000 0.476 103 V N 1.214 121.015 119.914 -0.188 0.000 2.488 103 V HA 0.358 4.493 4.120 0.025 0.000 0.277 103 V C 1.420 177.415 176.094 -0.165 0.000 1.046 103 V CA 0.049 62.180 62.300 -0.283 0.000 0.986 103 V CB 1.019 32.493 31.823 -0.582 0.000 0.989 103 V HN 0.717 nan 8.190 nan 0.000 0.475 104 V N 2.399 122.242 119.914 -0.117 0.000 2.492 104 V HA 0.127 4.263 4.120 0.025 0.000 0.241 104 V C 0.556 176.620 176.094 -0.049 0.000 1.041 104 V CA 1.112 63.370 62.300 -0.071 0.000 1.057 104 V CB 0.078 31.865 31.823 -0.060 0.000 0.711 104 V HN 0.957 nan 8.190 nan 0.000 0.468 105 D N -0.571 119.809 120.400 -0.032 0.000 2.476 105 D HA 0.496 5.151 4.640 0.025 0.000 0.251 105 D C 0.340 176.687 176.300 0.079 0.000 1.291 105 D CA 0.139 54.153 54.000 0.023 0.000 0.939 105 D CB 1.799 42.627 40.800 0.046 0.000 1.221 105 D HN 0.113 nan 8.370 nan 0.000 0.567 106 A N 2.761 125.627 122.820 0.076 0.000 2.251 106 A HA 0.178 4.513 4.320 0.025 0.000 0.209 106 A C 1.070 178.796 177.584 0.237 0.000 1.187 106 A CA 0.224 52.384 52.037 0.205 0.000 0.823 106 A CB -0.332 18.734 19.000 0.110 0.000 0.846 106 A HN 0.542 nan 8.150 nan 0.000 0.486 107 S N 0.392 116.183 115.700 0.152 0.000 2.584 107 S HA 0.305 4.790 4.470 0.025 0.000 0.270 107 S C -0.195 174.514 174.600 0.181 0.000 1.346 107 S CA -0.212 58.058 58.200 0.117 0.000 1.018 107 S CB 0.579 63.845 63.200 0.110 0.000 0.899 107 S HN 0.175 nan 8.310 nan 0.000 0.542 108 K N 2.502 122.992 120.400 0.149 0.000 2.414 108 K HA 0.296 4.631 4.320 0.025 0.000 0.251 108 K C -0.642 176.246 176.600 0.480 0.000 1.037 108 K CA -0.342 56.124 56.287 0.299 0.000 0.980 108 K CB 1.143 33.571 32.500 -0.121 0.000 1.280 108 K HN 0.622 nan 8.250 nan 0.000 0.451 109 Q N 1.004 121.100 119.800 0.493 0.000 2.331 109 Q HA 0.209 4.565 4.340 0.025 0.000 0.257 109 Q C 1.243 177.415 176.000 0.286 0.000 0.957 109 Q CA -0.208 55.828 55.803 0.389 0.000 0.923 109 Q CB 1.657 30.565 28.738 0.284 0.000 1.212 109 Q HN 0.769 nan 8.270 nan 0.000 0.443 110 G N 2.083 111.006 108.800 0.205 0.000 2.446 110 G HA2 -0.337 3.638 3.960 0.025 0.000 0.217 110 G HA3 -0.337 3.638 3.960 0.025 0.000 0.217 110 G C 1.147 176.075 174.900 0.047 0.000 1.168 110 G CA 0.700 45.650 45.100 -0.250 0.000 0.771 110 G HN 0.696 nan 8.290 nan 0.000 0.551 111 Y N 1.432 121.858 120.300 0.210 0.000 2.102 111 Y HA -0.280 4.285 4.550 0.026 0.000 0.280 111 Y C 3.085 179.124 175.900 0.231 0.000 1.178 111 Y CA 2.626 60.884 58.100 0.263 0.000 1.146 111 Y CB -0.152 38.385 38.460 0.129 0.000 0.968 111 Y HN 0.328 nan 8.280 nan 0.000 0.504 112 Q N -1.491 118.521 119.800 0.354 0.000 2.123 112 Q HA -0.183 4.173 4.340 0.025 0.000 0.199 112 Q C 2.058 178.081 176.000 0.038 0.000 0.966 112 Q CA 1.283 57.255 55.803 0.283 0.000 0.845 112 Q CB -0.371 28.551 28.738 0.307 0.000 0.907 112 Q HN 0.703 nan 8.270 nan 0.000 0.439 113 H N -0.440 118.521 119.070 -0.182 0.000 2.387 113 H HA -0.100 4.471 4.556 0.025 0.000 0.299 113 H C 1.823 176.892 175.328 -0.432 0.000 1.090 113 H CA 1.083 56.917 56.048 -0.357 0.000 1.332 113 H CB 0.017 29.366 29.762 -0.689 0.000 1.386 113 H HN 0.230 nan 8.280 nan 0.000 0.516 114 F N 0.056 119.935 119.950 -0.118 0.000 2.171 114 F HA -0.137 4.405 4.527 0.025 0.000 0.300 114 F C 2.280 177.835 175.800 -0.409 0.000 1.090 114 F CA 0.718 58.569 58.000 -0.248 0.000 1.293 114 F CB -0.816 37.983 39.000 -0.335 0.000 1.013 114 F HN 0.016 nan 8.300 nan 0.000 0.486 115 F N 0.151 119.996 119.950 -0.176 0.000 2.171 115 F HA -0.152 4.390 4.527 0.025 0.000 0.300 115 F C 2.482 178.117 175.800 -0.277 0.000 1.090 115 F CA 1.032 58.862 58.000 -0.283 0.000 1.293 115 F CB -1.190 37.607 39.000 -0.338 0.000 1.013 115 F HN -0.054 nan 8.300 nan 0.000 0.486 116 A N -0.160 122.551 122.820 -0.182 0.000 1.908 116 A HA -0.201 4.134 4.320 0.025 0.000 0.218 116 A C 2.139 179.561 177.584 -0.269 0.000 1.181 116 A CA 1.722 53.522 52.037 -0.395 0.000 0.627 116 A CB -1.117 17.397 19.000 -0.811 0.000 0.818 116 A HN 0.351 nan 8.150 nan 0.000 0.445 117 L N -0.813 120.311 121.223 -0.165 0.000 2.017 117 L HA -0.116 4.239 4.340 0.025 0.000 0.208 117 L C 2.287 179.098 176.870 -0.099 0.000 1.073 117 L CA 2.077 56.865 54.840 -0.085 0.000 0.745 117 L CB -0.580 41.499 42.059 0.034 0.000 0.894 117 L HN 0.389 nan 8.230 nan 0.000 0.432 118 L N -0.235 120.914 121.223 -0.124 0.000 2.012 118 L HA -0.045 4.310 4.340 0.025 0.000 0.210 118 L C 2.340 179.180 176.870 -0.050 0.000 1.073 118 L CA 2.220 56.986 54.840 -0.123 0.000 0.748 118 L CB -1.491 40.427 42.059 -0.235 0.000 0.891 118 L HN 0.295 nan 8.230 nan 0.000 0.431 119 G N -1.061 107.706 108.800 -0.055 0.000 2.446 119 G HA2 -0.289 3.686 3.960 0.025 0.000 0.217 119 G HA3 -0.289 3.686 3.960 0.025 0.000 0.217 119 G C 1.595 176.474 174.900 -0.034 0.000 1.168 119 G CA 0.984 46.074 45.100 -0.016 0.000 0.771 119 G HN 0.680 nan 8.290 nan 0.000 0.551 120 A N 1.084 123.861 122.820 -0.073 0.000 1.902 120 A HA 0.288 4.624 4.320 0.025 0.000 0.217 120 A C 2.827 180.390 177.584 -0.035 0.000 1.181 120 A CA 2.305 54.310 52.037 -0.053 0.000 0.623 120 A CB -0.801 18.172 19.000 -0.044 0.000 0.818 120 A HN 0.800 nan 8.150 nan 0.000 0.443 121 A N -0.601 122.190 122.820 -0.048 0.000 1.898 121 A HA -0.050 4.286 4.320 0.025 0.000 0.216 121 A C 2.443 180.022 177.584 -0.008 0.000 1.181 121 A CA 2.022 54.029 52.037 -0.050 0.000 0.620 121 A CB -0.886 18.062 19.000 -0.085 0.000 0.819 121 A HN 0.446 nan 8.150 nan 0.000 0.442 122 S N -0.003 115.719 115.700 0.037 0.000 2.368 122 S HA -0.065 4.420 4.470 0.025 0.000 0.225 122 S C 2.277 176.890 174.600 0.022 0.000 1.030 122 S CA 1.191 59.432 58.200 0.068 0.000 0.999 122 S CB -0.470 62.852 63.200 0.202 0.000 0.844 122 S HN 0.798 nan 8.310 nan 0.000 0.459 123 A N 1.105 123.929 122.820 0.006 0.000 1.972 123 A HA -0.043 4.292 4.320 0.025 0.000 0.219 123 A C 2.289 179.889 177.584 0.027 0.000 1.169 123 A CA 1.306 53.340 52.037 -0.007 0.000 0.635 123 A CB -0.881 18.086 19.000 -0.055 0.000 0.810 123 A HN 0.338 nan 8.150 nan 0.000 0.446 124 V N 0.826 120.752 119.914 0.019 0.000 2.380 124 V HA -0.277 3.858 4.120 0.025 0.000 0.251 124 V C 2.980 179.096 176.094 0.037 0.000 1.063 124 V CA 2.467 64.785 62.300 0.030 0.000 1.055 124 V CB -1.407 30.416 31.823 0.001 0.000 0.657 124 V HN 0.877 nan 8.190 nan 0.000 0.455 125 T N -1.792 112.777 114.554 0.025 0.000 3.007 125 T HA -0.173 4.192 4.350 0.025 0.000 0.270 125 T C 1.706 176.435 174.700 0.049 0.000 1.107 125 T CA 1.673 63.788 62.100 0.024 0.000 1.118 125 T CB -0.632 68.243 68.868 0.012 0.000 0.889 125 T HN 0.655 nan 8.240 nan 0.000 0.506 126 T N -2.180 112.426 114.554 0.087 0.000 3.088 126 T HA 0.369 4.734 4.350 0.025 0.000 0.259 126 T C 2.022 176.828 174.700 0.177 0.000 1.122 126 T CA 0.745 62.936 62.100 0.152 0.000 1.095 126 T CB -0.752 68.266 68.868 0.251 0.000 0.930 126 T HN 0.972 nan 8.240 nan 0.000 0.508 127 G N 1.199 110.084 108.800 0.141 0.000 2.162 127 G HA2 -0.310 3.665 3.960 0.025 0.000 0.260 127 G HA3 -0.310 3.665 3.960 0.025 0.000 0.260 127 G C 0.040 175.054 174.900 0.190 0.000 0.976 127 G CA 0.291 45.464 45.100 0.122 0.000 0.655 127 G HN 0.920 nan 8.290 nan 0.000 0.533 128 H N 2.248 121.438 119.070 0.200 0.000 3.125 128 H HA 0.101 4.672 4.556 0.025 0.000 0.310 128 H C -0.552 174.840 175.328 0.107 0.000 0.980 128 H CA -0.013 56.160 56.048 0.208 0.000 1.422 128 H CB 1.299 31.091 29.762 0.050 0.000 1.432 128 H HN 0.207 nan 8.280 nan 0.000 0.577 129 P HA -0.082 nan 4.420 nan 0.000 0.230 129 P C 0.475 177.875 177.300 0.168 0.000 1.158 129 P CA 0.886 64.021 63.100 0.059 0.000 0.769 129 P CB 0.520 32.199 31.700 -0.036 0.000 0.807 130 E N -0.873 119.565 120.200 0.397 0.000 2.481 130 E HA 0.197 4.562 4.350 0.025 0.000 0.198 130 E C 1.838 178.530 176.600 0.154 0.000 1.027 130 E CA 0.164 56.714 56.400 0.250 0.000 0.900 130 E CB -0.168 29.677 29.700 0.241 0.000 0.993 130 E HN 0.180 nan 8.360 nan 0.000 0.482 131 A N 1.562 124.484 122.820 0.169 0.000 1.873 131 A HA -0.172 4.164 4.320 0.025 0.000 0.215 131 A C 2.251 179.873 177.584 0.064 0.000 1.186 131 A CA 1.612 53.686 52.037 0.062 0.000 0.616 131 A CB -0.260 18.776 19.000 0.061 0.000 0.823 131 A HN 0.071 nan 8.150 nan 0.000 0.442 132 R N 0.439 120.984 120.500 0.075 0.000 2.081 132 R HA -0.097 4.258 4.340 0.025 0.000 0.235 132 R C 1.956 178.302 176.300 0.077 0.000 1.131 132 R CA 2.133 58.269 56.100 0.060 0.000 0.960 132 R CB -0.450 29.881 30.300 0.052 0.000 0.856 132 R HN 0.579 nan 8.270 nan 0.000 0.436 133 K N -0.178 120.275 120.400 0.087 0.000 2.063 133 K HA -0.167 4.168 4.320 0.025 0.000 0.208 133 K C 1.961 178.648 176.600 0.146 0.000 1.048 133 K CA 1.564 57.912 56.287 0.103 0.000 0.928 133 K CB -0.396 32.154 32.500 0.085 0.000 0.713 133 K HN 0.117 nan 8.250 nan 0.000 0.442 134 L N 1.335 122.640 121.223 0.137 0.000 2.017 134 L HA -0.135 4.220 4.340 0.025 0.000 0.208 134 L C 2.097 179.091 176.870 0.208 0.000 1.073 134 L CA 1.315 56.273 54.840 0.195 0.000 0.745 134 L CB -0.550 41.581 42.059 0.120 0.000 0.894 134 L HN 0.105 nan 8.230 nan 0.000 0.432 135 L N -0.286 121.003 121.223 0.111 0.000 2.012 135 L HA -0.224 4.131 4.340 0.025 0.000 0.210 135 L C 2.050 178.977 176.870 0.096 0.000 1.073 135 L CA 2.014 56.893 54.840 0.065 0.000 0.748 135 L CB -1.098 40.964 42.059 0.004 0.000 0.891 135 L HN 0.330 nan 8.230 nan 0.000 0.431 136 D N -1.534 118.938 120.400 0.120 0.000 2.117 136 D HA -0.254 4.401 4.640 0.025 0.000 0.197 136 D C 2.013 178.418 176.300 0.174 0.000 0.987 136 D CA 1.654 55.732 54.000 0.130 0.000 0.829 136 D CB -0.356 40.516 40.800 0.121 0.000 0.961 136 D HN 0.508 nan 8.370 nan 0.000 0.460 137 Y N 1.806 122.177 120.300 0.119 0.000 2.145 137 Y HA -0.208 4.357 4.550 0.025 0.000 0.286 137 Y C 2.305 178.335 175.900 0.216 0.000 1.145 137 Y CA 1.759 59.941 58.100 0.136 0.000 1.148 137 Y CB -0.593 37.949 38.460 0.137 0.000 0.981 137 Y HN -0.109 nan 8.280 nan 0.000 0.507 138 T N 1.299 115.970 114.554 0.195 0.000 2.746 138 T HA -0.201 4.164 4.350 0.025 0.000 0.267 138 T C 2.061 176.820 174.700 0.099 0.000 1.039 138 T CA 1.956 64.189 62.100 0.222 0.000 1.142 138 T CB -0.509 68.498 68.868 0.230 0.000 0.866 138 T HN 0.364 nan 8.240 nan 0.000 0.444 139 I N 0.912 121.533 120.570 0.085 0.000 2.208 139 I HA -0.210 3.976 4.170 0.025 0.000 0.245 139 I C 2.804 178.998 176.117 0.127 0.000 1.097 139 I CA 1.479 62.867 61.300 0.148 0.000 1.363 139 I CB -0.351 37.756 38.000 0.178 0.000 1.051 139 I HN 0.349 nan 8.210 nan 0.000 0.413 140 E N 0.724 120.929 120.200 0.009 0.000 2.058 140 E HA -0.210 4.155 4.350 0.025 0.000 0.194 140 E C 2.313 178.830 176.600 -0.139 0.000 0.997 140 E CA 1.738 58.097 56.400 -0.068 0.000 0.801 140 E CB 0.128 29.769 29.700 -0.099 0.000 0.746 140 E HN 0.282 nan 8.360 nan 0.000 0.450 141 V N 1.654 121.437 119.914 -0.218 0.000 2.295 141 V HA -0.276 3.859 4.120 0.025 0.000 0.246 141 V C 2.442 178.612 176.094 0.126 0.000 1.049 141 V CA 1.277 63.515 62.300 -0.103 0.000 1.024 141 V CB -0.423 31.380 31.823 -0.032 0.000 0.648 141 V HN 0.372 nan 8.190 nan 0.000 0.447 142 I N 0.151 120.867 120.570 0.242 0.000 2.179 142 I HA -0.210 3.976 4.170 0.025 0.000 0.242 142 I C 2.518 178.868 176.117 0.388 0.000 1.088 142 I CA 1.723 63.270 61.300 0.411 0.000 1.357 142 I CB -1.161 37.107 38.000 0.447 0.000 1.051 142 I HN 0.475 nan 8.210 nan 0.000 0.409 143 E N 0.281 120.630 120.200 0.249 0.000 2.208 143 E HA -0.222 4.143 4.350 0.025 0.000 0.193 143 E C 2.043 178.654 176.600 0.018 0.000 0.988 143 E CA 0.654 57.175 56.400 0.201 0.000 0.828 143 E CB 0.080 29.853 29.700 0.122 0.000 0.763 143 E HN 0.254 nan 8.360 nan 0.000 0.478 144 K N 0.169 120.447 120.400 -0.204 0.000 2.031 144 K HA -0.120 4.215 4.320 0.025 0.000 0.205 144 K C 0.997 177.145 176.600 -0.753 0.000 1.049 144 K CA 1.442 57.359 56.287 -0.617 0.000 0.939 144 K CB 0.029 31.918 32.500 -1.019 0.000 0.717 144 K HN 0.092 nan 8.250 nan 0.000 0.438 145 Y N -2.506 117.583 120.300 -0.351 0.000 2.430 145 Y HA 0.283 4.848 4.550 0.025 0.000 0.254 145 Y C 0.920 176.619 175.900 -0.335 0.000 1.088 145 Y CA -0.261 57.456 58.100 -0.639 0.000 1.267 145 Y CB 0.516 38.065 38.460 -1.518 0.000 1.204 145 Y HN -0.059 nan 8.280 nan 0.000 0.515 146 F N -2.614 117.558 119.950 0.370 0.000 2.667 146 F HA 0.167 4.710 4.527 0.026 0.000 0.288 146 F C 0.673 176.852 175.800 0.631 0.000 1.086 146 F CA -0.597 57.690 58.000 0.477 0.000 1.297 146 F CB 0.197 39.341 39.000 0.241 0.000 1.059 146 F HN -0.054 nan 8.300 nan 0.000 0.624 147 W N 2.618 124.254 121.300 0.559 0.000 2.332 147 W HA 0.442 5.118 4.660 0.026 0.000 0.306 147 W C -0.243 176.447 176.519 0.285 0.000 1.149 147 W CA -0.615 57.008 57.345 0.463 0.000 1.271 147 W CB 1.275 30.977 29.460 0.404 0.000 1.243 147 W HN -0.219 nan 8.180 nan 0.000 0.459 148 S N 4.340 119.753 115.700 -0.479 0.000 2.411 148 S HA 0.030 4.515 4.470 0.025 0.000 0.294 148 S C 0.833 175.018 174.600 -0.691 0.000 1.115 148 S CA -0.145 57.820 58.200 -0.392 0.000 1.071 148 S CB 1.222 64.312 63.200 -0.182 0.000 0.967 148 S HN 0.623 nan 8.310 nan 0.000 0.488 149 E N 3.730 123.732 120.200 -0.330 0.000 2.204 149 E HA -0.068 4.297 4.350 0.025 0.000 0.194 149 E C 1.593 178.112 176.600 -0.135 0.000 0.989 149 E CA 1.358 57.661 56.400 -0.162 0.000 0.824 149 E CB 0.115 29.830 29.700 0.026 0.000 0.756 149 E HN 0.846 nan 8.360 nan 0.000 0.477 150 E N -0.072 120.057 120.200 -0.120 0.000 2.072 150 E HA -0.142 4.223 4.350 0.025 0.000 0.190 150 E C 1.703 178.240 176.600 -0.105 0.000 0.982 150 E CA 1.023 57.377 56.400 -0.078 0.000 0.803 150 E CB 0.012 29.689 29.700 -0.039 0.000 0.755 150 E HN 0.336 nan 8.360 nan 0.000 0.453 151 E N 0.255 120.363 120.200 -0.153 0.000 2.385 151 E HA -0.043 4.322 4.350 0.025 0.000 0.194 151 E C -0.069 176.350 176.600 -0.301 0.000 1.013 151 E CA -0.030 56.278 56.400 -0.154 0.000 0.866 151 E CB 0.370 30.067 29.700 -0.004 0.000 0.832 151 E HN 0.057 nan 8.360 nan 0.000 0.500 152 Q N -0.073 119.473 119.800 -0.423 0.000 2.435 152 Q HA -0.216 4.139 4.340 0.025 0.000 0.312 152 Q C -0.398 175.245 176.000 -0.595 0.000 1.333 152 Q CA 1.011 56.520 55.803 -0.489 0.000 0.883 152 Q CB -1.038 27.660 28.738 -0.066 0.000 1.170 152 Q HN 0.278 nan 8.270 nan 0.000 0.443 153 M N -1.537 117.575 119.600 -0.815 0.000 2.755 153 M HA 0.342 4.837 4.480 0.025 0.000 0.273 153 M C -0.330 175.884 176.300 -0.144 0.000 1.278 153 M CA -0.716 54.354 55.300 -0.384 0.000 0.819 153 M CB 1.553 33.884 32.600 -0.450 0.000 1.694 153 M HN 0.112 nan 8.290 nan 0.000 0.460 154 C N 2.023 121.514 119.300 0.319 0.000 2.388 154 C HA 0.617 5.092 4.460 0.025 0.000 0.362 154 C C 0.843 176.152 174.990 0.532 0.000 1.266 154 C CA -0.857 58.489 59.018 0.547 0.000 2.028 154 C CB -0.344 27.764 27.740 0.615 0.000 2.440 154 C HN 0.620 nan 8.230 nan 0.000 0.547 155 L N 1.953 123.487 121.223 0.520 0.000 2.475 155 L HA 0.165 4.520 4.340 0.025 0.000 0.250 155 L C 1.432 178.618 176.870 0.528 0.000 1.224 155 L CA 0.084 55.165 54.840 0.401 0.000 0.821 155 L CB 0.284 42.532 42.059 0.314 0.000 1.141 155 L HN 0.743 nan 8.230 nan 0.000 0.494 156 E N 0.258 120.675 120.200 0.362 0.000 2.094 156 E HA 0.032 4.397 4.350 0.025 0.000 0.193 156 E C -0.008 176.882 176.600 0.483 0.000 0.950 156 E CA 0.657 57.314 56.400 0.429 0.000 0.842 156 E CB 0.525 30.461 29.700 0.393 0.000 0.816 156 E HN 0.666 nan 8.360 nan 0.000 0.465 157 S N -2.320 113.566 115.700 0.310 0.000 2.587 157 S HA 0.626 5.111 4.470 0.025 0.000 0.269 157 S C -1.651 172.993 174.600 0.075 0.000 1.154 157 S CA -1.068 57.352 58.200 0.368 0.000 0.824 157 S CB 0.418 63.771 63.200 0.255 0.000 1.118 157 S HN 0.186 nan 8.310 nan 0.000 0.462 158 W N 0.928 122.290 121.300 0.103 0.000 3.029 158 W HA 0.504 5.179 4.660 0.025 0.000 0.339 158 W C -0.557 175.879 176.519 -0.138 0.000 1.198 158 W CA -0.309 57.003 57.345 -0.055 0.000 1.148 158 W CB 0.857 30.230 29.460 -0.144 0.000 1.451 158 W HN 0.871 nan 8.180 nan 0.000 0.564 159 D N 0.269 120.726 120.400 0.094 0.000 2.363 159 D HA -0.066 4.589 4.640 0.025 0.000 0.240 159 D C 1.008 177.162 176.300 -0.244 0.000 1.236 159 D CA -0.031 53.942 54.000 -0.044 0.000 0.927 159 D CB 0.547 41.321 40.800 -0.043 0.000 1.150 159 D HN 0.703 nan 8.370 nan 0.000 0.458 160 E N 0.347 120.415 120.200 -0.219 0.000 2.108 160 E HA -0.294 4.071 4.350 0.025 0.000 0.203 160 E C 1.582 177.797 176.600 -0.642 0.000 1.022 160 E CA 1.762 57.988 56.400 -0.288 0.000 0.823 160 E CB -0.258 29.404 29.700 -0.063 0.000 0.744 160 E HN 0.588 nan 8.360 nan 0.000 0.456 161 A N -0.429 121.953 122.820 -0.731 0.000 2.238 161 A HA 0.089 4.424 4.320 0.025 0.000 0.208 161 A C 0.128 177.406 177.584 -0.510 0.000 1.177 161 A CA 0.127 51.492 52.037 -1.120 0.000 0.804 161 A CB -0.417 18.025 19.000 -0.930 0.000 0.823 161 A HN 0.451 nan 8.150 nan 0.000 0.482 162 F N -0.396 119.301 119.950 -0.422 0.000 3.067 162 F HA -0.270 4.272 4.527 0.025 0.000 0.279 162 F C 1.675 177.365 175.800 -0.184 0.000 0.945 162 F CA 0.821 58.479 58.000 -0.570 0.000 0.948 162 F CB -2.279 35.886 39.000 -1.391 0.000 0.898 162 F HN 0.387 nan 8.300 nan 0.000 0.746 163 S N -1.979 113.837 115.700 0.193 0.000 2.497 163 S HA 0.186 4.671 4.470 0.025 0.000 0.218 163 S C 0.507 175.308 174.600 0.336 0.000 1.023 163 S CA 0.451 58.784 58.200 0.222 0.000 0.913 163 S CB 0.786 64.029 63.200 0.072 0.000 0.800 163 S HN 0.563 nan 8.310 nan 0.000 0.505 164 Q N 0.621 120.634 119.800 0.355 0.000 2.268 164 Q HA 0.425 4.780 4.340 0.025 0.000 0.266 164 Q C -1.487 174.386 176.000 -0.211 0.000 1.006 164 Q CA -0.263 55.590 55.803 0.082 0.000 0.824 164 Q CB 2.110 30.860 28.738 0.019 0.000 1.306 164 Q HN 0.206 nan 8.270 nan 0.000 0.424 165 T N 1.983 116.079 114.554 -0.764 0.000 2.913 165 T HA 0.160 4.525 4.350 0.025 0.000 0.287 165 T C -0.461 173.957 174.700 -0.469 0.000 1.008 165 T CA -0.285 61.143 62.100 -1.120 0.000 1.067 165 T CB 0.992 68.891 68.868 -1.616 0.000 0.996 165 T HN 0.665 nan 8.240 nan 0.000 0.513 166 E N 1.855 121.858 120.200 -0.329 0.000 2.414 166 E HA -0.037 4.328 4.350 0.025 0.000 0.263 166 E C -0.485 176.064 176.600 -0.084 0.000 1.000 166 E CA -0.256 56.072 56.400 -0.120 0.000 0.914 166 E CB 0.446 30.138 29.700 -0.013 0.000 0.948 166 E HN 0.469 nan 8.360 nan 0.000 0.444 167 D N 4.220 124.603 120.400 -0.028 0.000 2.688 167 D HA 0.087 4.743 4.640 0.025 0.000 0.228 167 D C -1.679 174.664 176.300 0.070 0.000 1.116 167 D CA 0.328 54.319 54.000 -0.014 0.000 1.023 167 D CB -0.645 40.152 40.800 -0.005 0.000 1.100 167 D HN 0.367 nan 8.370 nan 0.000 0.487 168 Y N 0.597 120.814 120.300 -0.139 0.000 2.583 168 Y HA 0.386 4.951 4.550 0.025 0.000 0.330 168 Y C -1.815 173.948 175.900 -0.229 0.000 1.185 168 Y CA -1.023 56.983 58.100 -0.156 0.000 1.107 168 Y CB 0.934 39.331 38.460 -0.106 0.000 1.344 168 Y HN -0.146 nan 8.280 nan 0.000 0.463 169 R N 2.958 122.885 120.500 -0.955 0.000 2.628 169 R HA 0.718 5.073 4.340 0.025 0.000 0.288 169 R C -0.977 174.784 176.300 -0.897 0.000 0.980 169 R CA -0.773 54.764 56.100 -0.939 0.000 0.891 169 R CB 1.939 31.163 30.300 -1.793 0.000 1.188 169 R HN 0.937 nan 8.270 nan 0.000 0.450 170 G N -0.438 108.230 108.800 -0.219 0.000 2.544 170 G HA2 0.433 4.408 3.960 0.025 0.000 0.313 170 G HA3 0.433 4.408 3.960 0.025 0.000 0.313 170 G C 0.654 175.796 174.900 0.403 0.000 1.316 170 G CA -0.502 44.716 45.100 0.197 0.000 0.944 170 G HN 0.546 nan 8.290 nan 0.000 0.489 171 G N 1.208 110.306 108.800 0.496 0.000 2.422 171 G HA2 -0.215 3.760 3.960 0.025 0.000 0.218 171 G HA3 -0.215 3.760 3.960 0.025 0.000 0.218 171 G C 1.328 176.557 174.900 0.547 0.000 1.140 171 G CA 0.933 46.379 45.100 0.577 0.000 0.775 171 G HN 0.636 nan 8.290 nan 0.000 0.545 172 N N 0.416 119.409 118.700 0.488 0.000 2.080 172 N HA -0.063 4.692 4.740 0.025 0.000 0.189 172 N C 2.607 178.398 175.510 0.469 0.000 1.036 172 N CA 0.976 54.320 53.050 0.491 0.000 0.846 172 N CB -0.132 38.692 38.487 0.561 0.000 1.015 172 N HN 0.247 nan 8.380 nan 0.000 0.423 173 A N 0.898 124.036 122.820 0.530 0.000 1.908 173 A HA -0.176 4.159 4.320 0.025 0.000 0.218 173 A C 1.899 179.526 177.584 0.071 0.000 1.181 173 A CA 1.705 54.003 52.037 0.434 0.000 0.627 173 A CB -0.821 18.513 19.000 0.557 0.000 0.818 173 A HN 0.422 nan 8.150 nan 0.000 0.445 174 N N -0.981 117.804 118.700 0.143 0.000 2.223 174 N HA -0.111 4.644 4.740 0.025 0.000 0.185 174 N C 1.713 177.103 175.510 -0.200 0.000 1.016 174 N CA 1.544 54.593 53.050 -0.000 0.000 0.863 174 N CB -0.317 38.333 38.487 0.271 0.000 0.983 174 N HN 0.618 nan 8.380 nan 0.000 0.429 175 M N -0.110 119.348 119.600 -0.238 0.000 2.086 175 M HA -0.183 4.313 4.480 0.025 0.000 0.261 175 M C 1.366 177.113 176.300 -0.921 0.000 1.067 175 M CA 1.616 56.309 55.300 -1.011 0.000 1.116 175 M CB -0.080 31.810 32.600 -1.183 0.000 1.348 175 M HN 0.297 nan 8.290 nan 0.000 0.407 176 H N -0.199 118.540 119.070 -0.552 0.000 2.495 176 H HA 0.044 4.615 4.556 0.025 0.000 0.287 176 H C 2.074 176.923 175.328 -0.800 0.000 1.033 176 H CA 1.287 56.917 56.048 -0.695 0.000 1.307 176 H CB -0.339 28.886 29.762 -0.895 0.000 1.401 176 H HN 0.541 nan 8.280 nan 0.000 0.555 177 A N 0.754 122.985 122.820 -0.983 0.000 1.877 177 A HA -0.123 4.212 4.320 0.025 0.000 0.216 177 A C 2.801 179.613 177.584 -1.286 0.000 1.186 177 A CA 1.539 52.617 52.037 -1.598 0.000 0.620 177 A CB -0.891 16.885 19.000 -2.041 0.000 0.822 177 A HN 0.198 nan 8.150 nan 0.000 0.443 178 V N 0.307 119.729 119.914 -0.821 0.000 2.287 178 V HA -0.327 3.808 4.120 0.025 0.000 0.248 178 V C 2.597 178.504 176.094 -0.311 0.000 1.053 178 V CA 2.500 64.534 62.300 -0.443 0.000 1.027 178 V CB -0.791 30.861 31.823 -0.286 0.000 0.646 178 V HN 0.812 nan 8.190 nan 0.000 0.447 179 E N 0.195 120.164 120.200 -0.384 0.000 2.058 179 E HA -0.267 4.098 4.350 0.025 0.000 0.194 179 E C 2.189 178.671 176.600 -0.196 0.000 0.997 179 E CA 1.672 57.915 56.400 -0.263 0.000 0.801 179 E CB -0.229 29.308 29.700 -0.271 0.000 0.746 179 E HN 0.569 nan 8.360 nan 0.000 0.450 180 A N 0.498 123.167 122.820 -0.251 0.000 1.897 180 A HA -0.110 4.225 4.320 0.025 0.000 0.215 180 A C 1.917 179.542 177.584 0.068 0.000 1.181 180 A CA 1.041 53.008 52.037 -0.116 0.000 0.620 180 A CB -0.709 18.239 19.000 -0.086 0.000 0.821 180 A HN 0.343 nan 8.150 nan 0.000 0.443 181 F N 0.193 120.079 119.950 -0.108 0.000 2.161 181 F HA -0.116 4.426 4.527 0.025 0.000 0.300 181 F C 2.098 177.909 175.800 0.019 0.000 1.089 181 F CA 0.443 58.425 58.000 -0.030 0.000 1.282 181 F CB -1.251 37.810 39.000 0.102 0.000 1.010 181 F HN 0.108 nan 8.300 nan 0.000 0.485 182 L N -0.520 120.816 121.223 0.188 0.000 2.012 182 L HA -0.265 4.090 4.340 0.025 0.000 0.210 182 L C 2.431 179.396 176.870 0.158 0.000 1.073 182 L CA 0.930 55.862 54.840 0.153 0.000 0.748 182 L CB -0.565 41.526 42.059 0.053 0.000 0.891 182 L HN 0.022 nan 8.230 nan 0.000 0.431 183 I N -1.094 119.509 120.570 0.054 0.000 2.353 183 I HA -0.175 4.010 4.170 0.025 0.000 0.248 183 I C 2.561 178.656 176.117 -0.036 0.000 1.119 183 I CA 1.074 62.383 61.300 0.014 0.000 1.417 183 I CB -1.136 36.859 38.000 -0.007 0.000 1.078 183 I HN 0.054 nan 8.210 nan 0.000 0.421 184 V N 0.797 120.641 119.914 -0.117 0.000 2.332 184 V HA -0.326 3.809 4.120 0.025 0.000 0.248 184 V C 2.497 178.482 176.094 -0.181 0.000 1.055 184 V CA 1.945 64.047 62.300 -0.330 0.000 1.038 184 V CB -1.048 30.253 31.823 -0.871 0.000 0.651 184 V HN 0.356 nan 8.190 nan 0.000 0.450 185 Y N 1.670 121.920 120.300 -0.083 0.000 2.128 185 Y HA -0.271 4.294 4.550 0.025 0.000 0.284 185 Y C 2.323 178.279 175.900 0.094 0.000 1.154 185 Y CA 2.084 60.259 58.100 0.125 0.000 1.149 185 Y CB -0.470 38.110 38.460 0.200 0.000 0.976 185 Y HN 0.318 nan 8.280 nan 0.000 0.505 186 D N -0.364 120.024 120.400 -0.021 0.000 2.218 186 D HA -0.129 4.526 4.640 0.025 0.000 0.204 186 D C 1.884 177.998 176.300 -0.311 0.000 0.976 186 D CA 1.767 55.666 54.000 -0.169 0.000 0.853 186 D CB -0.239 40.556 40.800 -0.009 0.000 0.939 186 D HN 0.448 nan 8.370 nan 0.000 0.481 187 V N -2.042 117.739 119.914 -0.222 0.000 3.483 187 V HA 0.271 4.406 4.120 0.025 0.000 0.301 187 V C 1.319 177.297 176.094 -0.194 0.000 1.389 187 V CA 0.956 63.135 62.300 -0.201 0.000 1.101 187 V CB 0.224 31.976 31.823 -0.118 0.000 0.971 187 V HN 0.139 nan 8.190 nan 0.000 0.434 188 T N -5.020 109.404 114.554 -0.217 0.000 3.098 188 T HA 0.157 4.522 4.350 0.025 0.000 0.256 188 T C 0.823 175.490 174.700 -0.054 0.000 0.921 188 T CA 0.708 62.756 62.100 -0.086 0.000 0.916 188 T CB -0.258 68.650 68.868 0.066 0.000 1.246 188 T HN 0.322 nan 8.240 nan 0.000 0.511 189 H N 2.013 120.962 119.070 -0.202 0.000 2.636 189 H HA -0.101 4.469 4.556 0.024 0.000 0.312 189 H C -0.380 174.975 175.328 0.045 0.000 1.106 189 H CA 1.016 56.928 56.048 -0.226 0.000 1.139 189 H CB -1.853 27.788 29.762 -0.202 0.000 1.423 189 H HN 0.533 nan 8.280 nan 0.000 0.407 190 D N 0.719 121.288 120.400 0.282 0.000 2.352 190 D HA 0.085 4.740 4.640 0.025 0.000 0.245 190 D C 1.214 177.675 176.300 0.270 0.000 1.224 190 D CA -0.222 53.919 54.000 0.236 0.000 0.879 190 D CB 0.474 41.423 40.800 0.249 0.000 1.057 190 D HN 0.338 nan 8.370 nan 0.000 0.491 191 K N 2.701 123.201 120.400 0.167 0.000 2.211 191 K HA -0.179 4.156 4.320 0.025 0.000 0.204 191 K C 1.935 178.511 176.600 -0.040 0.000 1.047 191 K CA 0.992 57.361 56.287 0.136 0.000 0.935 191 K CB 0.202 32.738 32.500 0.060 0.000 0.728 191 K HN 0.477 nan 8.250 nan 0.000 0.452 192 K N -0.384 119.890 120.400 -0.211 0.000 2.152 192 K HA -0.195 4.140 4.320 0.025 0.000 0.206 192 K C 1.541 177.813 176.600 -0.547 0.000 1.048 192 K CA 1.649 57.670 56.287 -0.443 0.000 0.933 192 K CB -0.455 31.655 32.500 -0.651 0.000 0.721 192 K HN 0.229 nan 8.250 nan 0.000 0.447 193 W N 0.909 122.086 121.300 -0.206 0.000 2.381 193 W HA -0.047 4.628 4.660 0.025 0.000 0.301 193 W C 2.092 178.503 176.519 -0.180 0.000 1.205 193 W CA -0.203 56.964 57.345 -0.296 0.000 1.285 193 W CB -0.272 29.114 29.460 -0.123 0.000 1.133 193 W HN 0.067 nan 8.180 nan 0.000 0.521 194 L N 0.426 121.634 121.223 -0.026 0.000 2.131 194 L HA -0.126 4.230 4.340 0.025 0.000 0.206 194 L C 1.716 178.516 176.870 -0.116 0.000 1.087 194 L CA 1.889 56.597 54.840 -0.221 0.000 0.767 194 L CB -0.895 40.754 42.059 -0.685 0.000 0.917 194 L HN -0.173 nan 8.230 nan 0.000 0.441 195 D N -0.437 119.890 120.400 -0.122 0.000 2.123 195 D HA -0.189 4.466 4.640 0.025 0.000 0.196 195 D C 2.314 178.588 176.300 -0.043 0.000 0.992 195 D CA 1.224 55.177 54.000 -0.080 0.000 0.833 195 D CB -0.064 40.674 40.800 -0.103 0.000 0.954 195 D HN 0.306 nan 8.370 nan 0.000 0.455 196 R N 0.584 121.002 120.500 -0.137 0.000 2.075 196 R HA 0.004 4.359 4.340 0.025 0.000 0.232 196 R C 2.330 178.727 176.300 0.162 0.000 1.126 196 R CA 1.230 57.242 56.100 -0.146 0.000 0.963 196 R CB -0.267 29.627 30.300 -0.676 0.000 0.858 196 R HN 0.105 nan 8.270 nan 0.000 0.435 197 A N 1.153 124.113 122.820 0.233 0.000 1.902 197 A HA -0.132 4.203 4.320 0.025 0.000 0.217 197 A C 2.165 179.862 177.584 0.189 0.000 1.181 197 A CA 1.171 53.344 52.037 0.227 0.000 0.623 197 A CB -0.533 18.578 19.000 0.184 0.000 0.818 197 A HN 0.170 nan 8.150 nan 0.000 0.443 198 L N -0.915 120.394 121.223 0.143 0.000 2.017 198 L HA -0.212 4.143 4.340 0.025 0.000 0.208 198 L C 2.757 179.777 176.870 0.250 0.000 1.073 198 L CA 1.803 56.763 54.840 0.201 0.000 0.745 198 L CB -0.450 41.691 42.059 0.138 0.000 0.894 198 L HN 0.466 nan 8.230 nan 0.000 0.432 199 R N 1.076 121.680 120.500 0.174 0.000 2.080 199 R HA -0.177 4.179 4.340 0.025 0.000 0.236 199 R C 2.043 178.409 176.300 0.110 0.000 1.137 199 R CA 1.873 58.053 56.100 0.134 0.000 0.943 199 R CB -0.880 29.526 30.300 0.177 0.000 0.846 199 R HN 0.267 nan 8.270 nan 0.000 0.431 200 I N 0.702 121.382 120.570 0.184 0.000 2.127 200 I HA -0.284 3.901 4.170 0.025 0.000 0.241 200 I C 2.447 178.640 176.117 0.127 0.000 1.075 200 I CA 1.669 63.057 61.300 0.147 0.000 1.334 200 I CB -0.560 37.579 38.000 0.231 0.000 1.040 200 I HN 0.400 nan 8.210 nan 0.000 0.405 201 A N 0.673 123.648 122.820 0.258 0.000 1.933 201 A HA -0.240 4.096 4.320 0.025 0.000 0.218 201 A C 2.503 180.172 177.584 0.141 0.000 1.175 201 A CA 2.244 54.438 52.037 0.262 0.000 0.628 201 A CB -0.920 18.356 19.000 0.459 0.000 0.814 201 A HN 0.555 nan 8.150 nan 0.000 0.444 202 S N -0.432 115.331 115.700 0.106 0.000 2.382 202 S HA -0.128 4.357 4.470 0.025 0.000 0.228 202 S C 1.752 176.216 174.600 -0.227 0.000 1.027 202 S CA 1.571 59.618 58.200 -0.255 0.000 0.991 202 S CB -0.860 62.157 63.200 -0.305 0.000 0.823 202 S HN 0.256 nan 8.310 nan 0.000 0.469 203 V N 1.859 121.649 119.914 -0.207 0.000 2.273 203 V HA 0.010 4.145 4.120 0.025 0.000 0.242 203 V C 2.491 178.422 176.094 -0.271 0.000 1.035 203 V CA 1.752 63.883 62.300 -0.282 0.000 1.013 203 V CB -0.645 30.927 31.823 -0.419 0.000 0.652 203 V HN 0.460 nan 8.190 nan 0.000 0.452 204 I N -0.538 119.856 120.570 -0.292 0.000 2.353 204 I HA -0.139 4.046 4.170 0.025 0.000 0.248 204 I C 2.059 177.962 176.117 -0.357 0.000 1.119 204 I CA 1.094 62.223 61.300 -0.285 0.000 1.417 204 I CB -0.131 37.683 38.000 -0.310 0.000 1.078 204 I HN 0.219 nan 8.210 nan 0.000 0.421 205 I N -0.437 119.899 120.570 -0.390 0.000 2.681 205 I HA -0.115 4.070 4.170 0.025 0.000 0.247 205 I C 2.524 178.559 176.117 -0.137 0.000 1.091 205 I CA 1.381 62.515 61.300 -0.275 0.000 1.442 205 I CB -1.558 36.324 38.000 -0.196 0.000 1.219 205 I HN 0.173 nan 8.210 nan 0.000 0.451 206 H N 1.395 120.343 119.070 -0.204 0.000 2.423 206 H HA -0.104 4.467 4.556 0.025 0.000 0.297 206 H C 1.360 176.511 175.328 -0.295 0.000 1.075 206 H CA 1.881 57.767 56.048 -0.270 0.000 1.342 206 H CB 0.217 29.591 29.762 -0.647 0.000 1.395 206 H HN 0.219 nan 8.280 nan 0.000 0.530 207 D N -1.615 118.605 120.400 -0.301 0.000 2.338 207 D HA 0.027 4.682 4.640 0.025 0.000 0.208 207 D C 1.852 177.999 176.300 -0.254 0.000 0.997 207 D CA 0.662 54.486 54.000 -0.293 0.000 0.880 207 D CB 0.509 41.174 40.800 -0.225 0.000 0.980 207 D HN 0.259 nan 8.370 nan 0.000 0.509 208 V N 0.510 120.288 119.914 -0.226 0.000 2.840 208 V HA 0.197 4.332 4.120 0.025 0.000 0.234 208 V C 2.269 178.203 176.094 -0.268 0.000 1.159 208 V CA 0.956 63.143 62.300 -0.188 0.000 1.194 208 V CB -0.480 31.322 31.823 -0.036 0.000 0.971 208 V HN 0.103 nan 8.190 nan 0.000 0.494 209 A N 0.665 123.314 122.820 -0.285 0.000 1.883 209 A HA -0.272 4.064 4.320 0.025 0.000 0.217 209 A C 2.310 179.584 177.584 -0.517 0.000 1.186 209 A CA 2.378 54.205 52.037 -0.350 0.000 0.624 209 A CB -0.644 18.171 19.000 -0.309 0.000 0.822 209 A HN 0.450 nan 8.150 nan 0.000 0.444 210 R N -0.242 119.882 120.500 -0.626 0.000 2.105 210 R HA -0.130 4.225 4.340 0.025 0.000 0.239 210 R C 1.167 177.047 176.300 -0.699 0.000 1.135 210 R CA 1.653 57.136 56.100 -1.029 0.000 0.967 210 R CB -0.284 29.581 30.300 -0.724 0.000 0.861 210 R HN 0.520 nan 8.270 nan 0.000 0.442 211 N N -0.498 117.922 118.700 -0.467 0.000 2.521 211 N HA -0.027 4.728 4.740 0.025 0.000 0.188 211 N C 0.461 175.802 175.510 -0.282 0.000 1.146 211 N CA 0.992 53.844 53.050 -0.331 0.000 0.893 211 N CB 0.859 39.182 38.487 -0.273 0.000 0.975 211 N HN 0.318 nan 8.380 nan 0.000 0.451 212 G N 0.269 108.878 108.800 -0.319 0.000 4.547 212 G HA2 0.106 4.081 3.960 0.025 0.000 0.301 212 G HA3 0.106 4.081 3.960 0.025 0.000 0.301 212 G C -0.462 174.313 174.900 -0.209 0.000 1.240 212 G CA -0.339 44.616 45.100 -0.243 0.000 0.970 212 G HN -0.074 nan 8.290 nan 0.000 0.574 213 D N -0.244 120.026 120.400 -0.217 0.000 2.772 213 D HA -0.240 4.416 4.640 0.025 0.000 0.233 213 D C 0.365 176.641 176.300 -0.039 0.000 1.143 213 D CA 1.065 55.012 54.000 -0.088 0.000 0.700 213 D CB -1.668 39.136 40.800 0.007 0.000 1.076 213 D HN 0.673 nan 8.370 nan 0.000 0.430 214 Y N -2.760 117.415 120.300 -0.208 0.000 4.604 214 Y HA -0.357 4.209 4.550 0.026 0.000 0.230 214 Y C 0.975 176.435 175.900 -0.734 0.000 1.066 214 Y CA 1.069 58.980 58.100 -0.315 0.000 1.990 214 Y CB -1.534 36.839 38.460 -0.146 0.000 1.619 214 Y HN 0.230 nan 8.280 nan 0.000 0.649 215 R N 0.844 120.950 120.500 -0.658 0.000 2.242 215 R HA 0.380 4.735 4.340 0.025 0.000 0.334 215 R C -0.100 175.838 176.300 -0.603 0.000 1.071 215 R CA -0.455 55.013 56.100 -1.053 0.000 0.922 215 R CB 0.798 30.961 30.300 -0.228 0.000 1.023 215 R HN -0.046 nan 8.270 nan 0.000 0.458 216 V N 4.062 123.464 119.914 -0.853 0.000 2.521 216 V HA -0.048 4.087 4.120 0.025 0.000 0.286 216 V C 0.897 177.075 176.094 0.141 0.000 1.034 216 V CA -0.208 61.950 62.300 -0.237 0.000 1.045 216 V CB 0.565 32.349 31.823 -0.066 0.000 0.974 216 V HN 0.708 nan 8.190 nan 0.000 0.480 217 N N 4.260 122.971 118.700 0.018 0.000 2.430 217 N HA 0.125 4.881 4.740 0.025 0.000 0.265 217 N C 0.653 176.131 175.510 -0.053 0.000 1.100 217 N CA -0.182 52.837 53.050 -0.051 0.000 0.961 217 N CB 1.224 39.451 38.487 -0.433 0.000 1.075 217 N HN 0.730 nan 8.380 nan 0.000 0.478 218 E N 1.592 121.711 120.200 -0.135 0.000 2.307 218 E HA 0.031 4.396 4.350 0.025 0.000 0.195 218 E C -0.331 176.103 176.600 -0.277 0.000 0.975 218 E CA 0.349 56.666 56.400 -0.138 0.000 0.878 218 E CB 0.334 29.890 29.700 -0.241 0.000 0.845 218 E HN 0.601 nan 8.360 nan 0.000 0.488 219 H N -0.168 118.764 119.070 -0.231 0.000 2.504 219 H HA 0.339 4.910 4.556 0.025 0.000 0.322 219 H C -0.788 174.133 175.328 -0.679 0.000 1.055 219 H CA -0.272 55.551 56.048 -0.375 0.000 1.231 219 H CB 0.231 29.884 29.762 -0.182 0.000 1.417 219 H HN -0.093 nan 8.280 nan 0.000 0.472 220 F N 1.154 120.802 119.950 -0.504 0.000 2.588 220 F HA 0.155 4.697 4.527 0.025 0.000 0.314 220 F C 0.518 176.010 175.800 -0.513 0.000 1.069 220 F CA -1.096 56.645 58.000 -0.431 0.000 0.931 220 F CB 1.422 40.122 39.000 -0.500 0.000 1.260 220 F HN 0.448 nan 8.300 nan 0.000 0.465 221 D N -0.651 119.680 120.400 -0.116 0.000 2.447 221 D HA 0.160 4.815 4.640 0.025 0.000 0.265 221 D C 0.780 176.917 176.300 -0.271 0.000 1.250 221 D CA -0.470 53.444 54.000 -0.142 0.000 1.046 221 D CB 0.276 41.050 40.800 -0.043 0.000 1.095 221 D HN 0.311 nan 8.370 nan 0.000 0.555 222 S N -1.272 114.309 115.700 -0.198 0.000 2.500 222 S HA -0.120 4.365 4.470 0.025 0.000 0.239 222 S C 1.097 175.591 174.600 -0.176 0.000 0.989 222 S CA 0.778 58.840 58.200 -0.229 0.000 0.951 222 S CB -0.279 62.844 63.200 -0.129 0.000 0.759 222 S HN 0.410 nan 8.310 nan 0.000 0.523 223 Q N -1.201 118.544 119.800 -0.092 0.000 2.220 223 Q HA 0.247 4.602 4.340 0.025 0.000 0.205 223 Q C -0.469 175.618 176.000 0.145 0.000 0.865 223 Q CA -0.236 55.583 55.803 0.028 0.000 0.960 223 Q CB -0.126 28.630 28.738 0.029 0.000 1.097 223 Q HN 0.526 nan 8.270 nan 0.000 0.493 224 W N 0.417 121.698 121.300 -0.030 0.000 4.141 224 W HA -0.254 4.421 4.660 0.025 0.000 0.336 224 W C -0.679 175.923 176.519 0.139 0.000 1.258 224 W CA -0.007 57.309 57.345 -0.049 0.000 0.747 224 W CB -1.764 27.575 29.460 -0.201 0.000 2.338 224 W HN 0.108 nan 8.180 nan 0.000 1.410 225 N N 1.040 119.899 118.700 0.265 0.000 2.455 225 N HA 0.297 5.052 4.740 0.025 0.000 0.280 225 N C -2.216 173.377 175.510 0.139 0.000 1.055 225 N CA -1.405 51.762 53.050 0.196 0.000 0.961 225 N CB 0.846 39.376 38.487 0.071 0.000 1.121 225 N HN -0.305 nan 8.380 nan 0.000 0.476 226 P HA 0.064 nan 4.420 nan 0.000 0.264 226 P C -0.246 176.939 177.300 -0.192 0.000 1.183 226 P CA 0.411 63.292 63.100 -0.364 0.000 0.763 226 P CB 0.483 31.933 31.700 -0.417 0.000 0.807 227 I N 4.120 124.593 120.570 -0.162 0.000 2.361 227 I HA 0.231 4.416 4.170 0.025 0.000 0.282 227 I C 1.524 177.709 176.117 0.114 0.000 1.075 227 I CA -0.569 60.747 61.300 0.027 0.000 1.205 227 I CB 0.926 39.010 38.000 0.141 0.000 1.406 227 I HN 0.217 nan 8.210 nan 0.000 0.481 228 R N 2.821 123.360 120.500 0.065 0.000 2.148 228 R HA -0.097 4.258 4.340 0.025 0.000 0.227 228 R C 0.737 177.327 176.300 0.484 0.000 1.103 228 R CA 0.955 57.161 56.100 0.176 0.000 0.983 228 R CB -0.247 30.001 30.300 -0.086 0.000 0.874 228 R HN 0.692 nan 8.270 nan 0.000 0.451 229 D N -1.944 118.695 120.400 0.399 0.000 2.368 229 D HA -0.089 4.566 4.640 0.025 0.000 0.218 229 D C 0.192 176.753 176.300 0.434 0.000 1.112 229 D CA -0.580 53.723 54.000 0.504 0.000 0.834 229 D CB -0.775 40.210 40.800 0.309 0.000 0.953 229 D HN 0.069 nan 8.370 nan 0.000 0.505 230 Y N 2.221 122.676 120.300 0.257 0.000 2.717 230 Y HA -0.022 4.543 4.550 0.025 0.000 0.330 230 Y C 0.793 176.745 175.900 0.086 0.000 1.217 230 Y CA 0.926 59.076 58.100 0.084 0.000 1.506 230 Y CB -0.103 38.320 38.460 -0.061 0.000 1.268 230 Y HN 0.113 nan 8.280 nan 0.000 0.561 231 N N 2.967 121.389 118.700 -0.463 0.000 2.776 231 N HA -0.343 4.412 4.740 0.025 0.000 0.250 231 N C 1.356 176.861 175.510 -0.009 0.000 1.112 231 N CA 0.836 53.727 53.050 -0.265 0.000 0.733 231 N CB -0.435 37.938 38.487 -0.190 0.000 1.097 231 N HN 0.763 nan 8.380 nan 0.000 0.558 232 K N 1.056 121.440 120.400 -0.028 0.000 2.074 232 K HA -0.189 4.146 4.320 0.025 0.000 0.209 232 K C 0.468 176.928 176.600 -0.233 0.000 1.048 232 K CA 2.012 58.123 56.287 -0.293 0.000 0.926 232 K CB 0.058 32.413 32.500 -0.242 0.000 0.713 232 K HN 0.342 nan 8.250 nan 0.000 0.444 233 D N -0.260 120.053 120.400 -0.145 0.000 2.336 233 D HA -0.032 4.624 4.640 0.025 0.000 0.228 233 D C -0.035 176.222 176.300 -0.072 0.000 1.120 233 D CA 0.159 54.095 54.000 -0.108 0.000 0.839 233 D CB 0.077 40.823 40.800 -0.090 0.000 0.932 233 D HN 0.074 nan 8.370 nan 0.000 0.509 234 N N 1.007 119.677 118.700 -0.050 0.000 2.651 234 N HA 0.083 4.838 4.740 0.025 0.000 0.277 234 N C -1.964 173.598 175.510 0.087 0.000 1.787 234 N CA -1.389 51.669 53.050 0.014 0.000 0.818 234 N CB 1.084 39.590 38.487 0.032 0.000 1.316 234 N HN -0.179 nan 8.380 nan 0.000 0.503 235 P HA -0.031 nan 4.420 nan 0.000 0.220 235 P C 0.579 178.019 177.300 0.233 0.000 1.148 235 P CA 0.768 63.970 63.100 0.170 0.000 0.803 235 P CB 0.299 32.054 31.700 0.093 0.000 0.782 236 A N -1.130 121.793 122.820 0.172 0.000 2.462 236 A HA 0.070 4.405 4.320 0.025 0.000 0.261 236 A C 0.501 178.168 177.584 0.138 0.000 1.323 236 A CA -0.354 51.786 52.037 0.172 0.000 0.913 236 A CB -1.678 17.342 19.000 0.032 0.000 1.028 236 A HN 0.201 nan 8.150 nan 0.000 0.511 237 H N 0.167 119.308 119.070 0.119 0.000 3.001 237 H HA 0.138 4.709 4.556 0.025 0.000 0.334 237 H C 1.386 176.762 175.328 0.080 0.000 1.034 237 H CA 0.601 56.693 56.048 0.073 0.000 1.420 237 H CB 0.554 30.391 29.762 0.124 0.000 1.405 237 H HN 0.338 nan 8.280 nan 0.000 0.593 238 R N 3.031 123.359 120.500 -0.287 0.000 2.148 238 R HA -0.093 4.262 4.340 0.025 0.000 0.227 238 R C 0.561 176.670 176.300 -0.318 0.000 1.103 238 R CA 1.394 57.209 56.100 -0.475 0.000 0.983 238 R CB 0.237 29.869 30.300 -1.114 0.000 0.874 238 R HN 0.575 nan 8.270 nan 0.000 0.451 239 F N -1.493 118.690 119.950 0.389 0.000 2.819 239 F HA 0.281 4.823 4.527 0.025 0.000 0.325 239 F C 0.554 176.544 175.800 0.316 0.000 1.041 239 F CA -0.254 57.893 58.000 0.245 0.000 1.184 239 F CB 0.782 39.750 39.000 -0.054 0.000 1.019 239 F HN -0.329 nan 8.300 nan 0.000 0.590 240 R N 0.843 121.658 120.500 0.524 0.000 2.738 240 R HA 0.548 4.903 4.340 0.025 0.000 0.280 240 R C -0.220 176.315 176.300 0.391 0.000 1.456 240 R CA -0.356 55.972 56.100 0.381 0.000 1.612 240 R CB 0.883 31.213 30.300 0.051 0.000 1.286 240 R HN 0.025 nan 8.270 nan 0.000 0.660 241 A N 1.004 124.081 122.820 0.427 0.000 2.520 241 A HA -0.059 4.277 4.320 0.025 0.000 0.235 241 A C -0.317 177.501 177.584 0.390 0.000 1.065 241 A CA -0.010 52.237 52.037 0.350 0.000 0.764 241 A CB 0.033 19.113 19.000 0.133 0.000 1.002 241 A HN 0.554 nan 8.150 nan 0.000 0.502 242 Y N 2.135 122.550 120.300 0.193 0.000 2.610 242 Y HA 0.387 4.953 4.550 0.025 0.000 0.332 242 Y C 1.114 177.030 175.900 0.027 0.000 1.201 242 Y CA 1.245 59.434 58.100 0.149 0.000 1.465 242 Y CB 0.020 38.514 38.460 0.057 0.000 1.283 242 Y HN 1.781 nan 8.280 nan 0.000 0.563 243 G N 3.274 111.445 108.800 -1.048 0.000 2.512 243 G HA2 -0.091 3.884 3.960 0.025 0.000 0.254 243 G HA3 -0.091 3.884 3.960 0.025 0.000 0.254 243 G C 0.023 174.431 174.900 -0.821 0.000 1.199 243 G CA -0.375 43.906 45.100 -1.366 0.000 0.941 243 G HN 1.455 nan 8.290 nan 0.000 0.569 244 G N -0.996 107.373 108.800 -0.718 0.000 2.371 244 G HA2 0.636 4.611 3.960 0.025 0.000 0.326 244 G HA3 0.636 4.611 3.960 0.025 0.000 0.326 244 G C -0.345 174.461 174.900 -0.156 0.000 1.127 244 G CA 0.756 45.822 45.100 -0.056 0.000 0.885 244 G HN 1.082 nan 8.290 nan 0.000 0.477 245 T N 4.356 118.841 114.554 -0.115 0.000 3.042 245 T HA 0.322 4.687 4.350 0.025 0.000 0.356 245 T C -1.725 172.495 174.700 -0.801 0.000 1.233 245 T CA -0.947 60.906 62.100 -0.412 0.000 1.038 245 T CB 1.939 70.700 68.868 -0.177 0.000 1.089 245 T HN 0.216 nan 8.240 nan 0.000 0.531 246 P HA -0.099 nan 4.420 nan 0.000 0.217 246 P C 1.856 178.645 177.300 -0.852 0.000 1.148 246 P CA 0.766 62.853 63.100 -1.687 0.000 0.828 246 P CB 0.085 31.036 31.700 -1.249 0.000 0.783 247 G N 0.271 108.652 108.800 -0.698 0.000 2.469 247 G HA2 -0.306 3.669 3.960 0.025 0.000 0.219 247 G HA3 -0.306 3.669 3.960 0.025 0.000 0.219 247 G C 1.649 176.617 174.900 0.113 0.000 1.150 247 G CA 1.007 45.777 45.100 -0.550 0.000 0.763 247 G HN 0.335 nan 8.290 nan 0.000 0.561 248 A N 0.252 123.264 122.820 0.320 0.000 1.933 248 A HA -0.016 4.319 4.320 0.025 0.000 0.218 248 A C 2.186 180.121 177.584 0.584 0.000 1.175 248 A CA 1.660 53.993 52.037 0.493 0.000 0.628 248 A CB -0.610 18.707 19.000 0.529 0.000 0.814 248 A HN 0.474 nan 8.150 nan 0.000 0.444 249 W N -0.393 121.065 121.300 0.263 0.000 2.335 249 W HA -0.091 4.583 4.660 0.025 0.000 0.311 249 W C 2.085 178.730 176.519 0.210 0.000 1.213 249 W CA 0.431 57.926 57.345 0.250 0.000 1.274 249 W CB -1.416 28.116 29.460 0.120 0.000 1.148 249 W HN 0.350 nan 8.180 nan 0.000 0.498 250 I N 0.196 120.931 120.570 0.274 0.000 2.439 250 I HA -0.231 3.954 4.170 0.025 0.000 0.251 250 I C 2.512 178.741 176.117 0.187 0.000 1.139 250 I CA 1.527 62.911 61.300 0.140 0.000 1.438 250 I CB -0.283 37.625 38.000 -0.154 0.000 1.085 250 I HN -0.022 nan 8.210 nan 0.000 0.427 251 E N 0.112 120.436 120.200 0.206 0.000 2.051 251 E HA -0.285 4.080 4.350 0.025 0.000 0.192 251 E C 2.048 178.724 176.600 0.127 0.000 0.991 251 E CA 1.733 58.229 56.400 0.160 0.000 0.799 251 E CB -0.293 29.513 29.700 0.178 0.000 0.748 251 E HN 0.529 nan 8.360 nan 0.000 0.449 252 W N 0.526 121.904 121.300 0.129 0.000 2.318 252 W HA -0.164 4.511 4.660 0.025 0.000 0.313 252 W C 2.372 178.941 176.519 0.085 0.000 1.221 252 W CA 1.438 58.845 57.345 0.103 0.000 1.266 252 W CB -0.729 28.822 29.460 0.152 0.000 1.150 252 W HN 0.268 nan 8.180 nan 0.000 0.496 253 G N -0.075 108.938 108.800 0.355 0.000 2.491 253 G HA2 -0.354 3.621 3.960 0.025 0.000 0.218 253 G HA3 -0.354 3.621 3.960 0.025 0.000 0.218 253 G C 1.454 176.407 174.900 0.087 0.000 1.180 253 G CA 1.383 46.603 45.100 0.200 0.000 0.774 253 G HN 0.252 nan 8.290 nan 0.000 0.562 254 R N 0.026 120.570 120.500 0.072 0.000 2.081 254 R HA 0.055 4.410 4.340 0.025 0.000 0.235 254 R C 2.636 178.915 176.300 -0.035 0.000 1.131 254 R CA 1.112 57.191 56.100 -0.033 0.000 0.960 254 R CB -0.382 29.925 30.300 0.012 0.000 0.856 254 R HN 0.410 nan 8.270 nan 0.000 0.436 255 L N 0.227 121.495 121.223 0.075 0.000 2.042 255 L HA -0.210 4.145 4.340 0.025 0.000 0.210 255 L C 2.622 179.549 176.870 0.095 0.000 1.076 255 L CA 1.498 56.406 54.840 0.113 0.000 0.749 255 L CB -0.359 41.689 42.059 -0.018 0.000 0.893 255 L HN 0.318 nan 8.230 nan 0.000 0.432 256 M N -0.670 118.989 119.600 0.098 0.000 2.279 256 M HA -0.189 4.306 4.480 0.025 0.000 0.264 256 M C 2.130 178.395 176.300 -0.059 0.000 1.062 256 M CA 1.540 56.861 55.300 0.036 0.000 1.099 256 M CB -0.243 32.397 32.600 0.067 0.000 1.394 256 M HN 0.261 nan 8.290 nan 0.000 0.426 257 L N -1.469 119.681 121.223 -0.122 0.000 2.179 257 L HA -0.134 4.221 4.340 0.025 0.000 0.208 257 L C 2.479 179.243 176.870 -0.177 0.000 1.096 257 L CA 0.588 55.299 54.840 -0.215 0.000 0.779 257 L CB -0.990 40.865 42.059 -0.340 0.000 0.922 257 L HN 0.350 nan 8.230 nan 0.000 0.443 258 H N 0.368 119.422 119.070 -0.027 0.000 2.387 258 H HA -0.110 4.461 4.556 0.024 0.000 0.299 258 H C 2.400 177.727 175.328 -0.002 0.000 1.090 258 H CA 1.342 57.387 56.048 -0.004 0.000 1.332 258 H CB -0.114 29.647 29.762 -0.002 0.000 1.386 258 H HN 0.306 nan 8.280 nan 0.000 0.516 259 L N -0.056 121.215 121.223 0.079 0.000 2.017 259 L HA -0.208 4.147 4.340 0.025 0.000 0.208 259 L C 2.807 179.651 176.870 -0.042 0.000 1.073 259 L CA 1.370 56.205 54.840 -0.008 0.000 0.745 259 L CB -0.619 41.409 42.059 -0.052 0.000 0.894 259 L HN 0.369 nan 8.230 nan 0.000 0.432 260 H N 0.469 119.444 119.070 -0.158 0.000 2.319 260 H HA -0.215 4.355 4.556 0.024 0.000 0.297 260 H C 2.062 177.313 175.328 -0.128 0.000 1.097 260 H CA 2.013 57.953 56.048 -0.180 0.000 1.285 260 H CB 0.233 29.872 29.762 -0.205 0.000 1.368 260 H HN 0.346 nan 8.280 nan 0.000 0.495 261 A N 1.007 123.895 122.820 0.113 0.000 1.930 261 A HA 0.012 4.348 4.320 0.025 0.000 0.217 261 A C 2.758 180.351 177.584 0.016 0.000 1.175 261 A CA 1.570 53.650 52.037 0.071 0.000 0.627 261 A CB -0.949 18.095 19.000 0.073 0.000 0.815 261 A HN 0.586 nan 8.150 nan 0.000 0.443 262 A N -0.002 122.841 122.820 0.038 0.000 1.908 262 A HA -0.096 4.239 4.320 0.025 0.000 0.218 262 A C 2.156 179.733 177.584 -0.012 0.000 1.181 262 A CA 1.607 53.683 52.037 0.065 0.000 0.627 262 A CB -0.600 18.430 19.000 0.051 0.000 0.818 262 A HN 0.485 nan 8.150 nan 0.000 0.445 263 L N -0.951 120.209 121.223 -0.104 0.000 2.056 263 L HA -0.172 4.183 4.340 0.025 0.000 0.207 263 L C 2.584 179.364 176.870 -0.151 0.000 1.078 263 L CA 1.485 56.240 54.840 -0.141 0.000 0.749 263 L CB -0.659 41.273 42.059 -0.211 0.000 0.901 263 L HN 0.459 nan 8.230 nan 0.000 0.433 264 E N 0.461 120.542 120.200 -0.199 0.000 2.085 264 E HA -0.234 4.131 4.350 0.025 0.000 0.194 264 E C 2.248 178.705 176.600 -0.238 0.000 0.994 264 E CA 1.193 57.468 56.400 -0.207 0.000 0.801 264 E CB -0.199 29.396 29.700 -0.175 0.000 0.743 264 E HN 0.497 nan 8.360 nan 0.000 0.453 265 A N 1.909 124.632 122.820 -0.162 0.000 2.125 265 A HA -0.169 4.166 4.320 0.025 0.000 0.219 265 A C 1.865 179.354 177.584 -0.158 0.000 1.156 265 A CA 1.064 53.000 52.037 -0.168 0.000 0.671 265 A CB -0.477 18.508 19.000 -0.025 0.000 0.794 265 A HN 0.218 nan 8.150 nan 0.000 0.459 266 R N -2.488 117.968 120.500 -0.074 0.000 2.609 266 R HA 0.378 4.733 4.340 0.025 0.000 0.326 266 R C -0.570 175.857 176.300 0.211 0.000 1.090 266 R CA -0.350 55.795 56.100 0.075 0.000 1.072 266 R CB -0.760 29.571 30.300 0.051 0.000 1.330 266 R HN 0.135 nan 8.270 nan 0.000 0.572 267 F N 0.445 120.378 119.950 -0.028 0.000 3.093 267 F HA -0.265 4.277 4.527 0.024 0.000 0.287 267 F C 0.061 175.835 175.800 -0.044 0.000 0.882 267 F CA 1.202 59.183 58.000 -0.031 0.000 1.063 267 F CB -1.493 37.494 39.000 -0.021 0.000 1.097 267 F HN 0.441 nan 8.300 nan 0.000 0.604 268 E N -0.005 120.211 120.200 0.027 0.000 2.183 268 E HA 0.409 4.774 4.350 0.025 0.000 0.271 268 E C -0.113 176.436 176.600 -0.084 0.000 0.919 268 E CA -0.608 55.782 56.400 -0.017 0.000 0.781 268 E CB 1.336 31.015 29.700 -0.035 0.000 1.140 268 E HN 0.071 nan 8.360 nan 0.000 0.402 269 T N 6.029 120.539 114.554 -0.072 0.000 2.752 269 T HA 0.203 4.568 4.350 0.025 0.000 0.295 269 T C -2.290 172.312 174.700 -0.164 0.000 0.923 269 T CA -1.062 60.973 62.100 -0.109 0.000 1.112 269 T CB 0.558 69.390 68.868 -0.059 0.000 0.884 269 T HN 0.328 nan 8.240 nan 0.000 0.525 270 P HA 0.260 nan 4.420 nan 0.000 0.274 270 P C -2.339 174.823 177.300 -0.230 0.000 1.231 270 P CA -1.558 61.334 63.100 -0.348 0.000 0.790 270 P CB -0.305 30.964 31.700 -0.718 0.000 0.951 271 P HA 0.036 nan 4.420 nan 0.000 0.268 271 P C 0.336 177.535 177.300 -0.169 0.000 1.205 271 P CA -0.043 62.984 63.100 -0.121 0.000 0.771 271 P CB 0.661 32.333 31.700 -0.046 0.000 0.858 272 A N 4.341 127.154 122.820 -0.011 0.000 2.024 272 A HA -0.156 4.179 4.320 0.025 0.000 0.220 272 A C 1.904 179.512 177.584 0.041 0.000 1.164 272 A CA 1.250 53.304 52.037 0.028 0.000 0.643 272 A CB -1.448 17.598 19.000 0.077 0.000 0.806 272 A HN 0.840 nan 8.150 nan 0.000 0.451 273 W N -0.061 121.222 121.300 -0.028 0.000 2.465 273 W HA -0.060 4.616 4.660 0.027 0.000 0.268 273 W C 1.237 177.768 176.519 0.020 0.000 1.242 273 W CA 0.755 58.084 57.345 -0.028 0.000 1.248 273 W CB -1.128 28.151 29.460 -0.300 0.000 1.118 273 W HN 0.266 nan 8.180 nan 0.000 0.587 274 L N 0.794 121.667 121.223 -0.582 0.000 1.994 274 L HA -0.254 4.102 4.340 0.025 0.000 0.208 274 L C 2.811 179.587 176.870 -0.158 0.000 1.071 274 L CA 1.374 55.919 54.840 -0.491 0.000 0.745 274 L CB -1.218 40.521 42.059 -0.534 0.000 0.892 274 L HN 0.011 nan 8.230 nan 0.000 0.431 275 L N -0.031 121.120 121.223 -0.121 0.000 2.056 275 L HA -0.181 4.174 4.340 0.025 0.000 0.207 275 L C 2.399 179.241 176.870 -0.046 0.000 1.078 275 L CA 1.709 56.466 54.840 -0.139 0.000 0.749 275 L CB -0.549 41.400 42.059 -0.184 0.000 0.901 275 L HN 0.211 nan 8.230 nan 0.000 0.433 276 E N -0.444 119.778 120.200 0.037 0.000 2.058 276 E HA -0.245 4.120 4.350 0.025 0.000 0.194 276 E C 1.745 178.400 176.600 0.091 0.000 0.997 276 E CA 1.591 58.050 56.400 0.097 0.000 0.801 276 E CB -0.217 29.598 29.700 0.191 0.000 0.746 276 E HN 0.558 nan 8.360 nan 0.000 0.450 277 D N 0.248 120.764 120.400 0.192 0.000 2.149 277 D HA -0.060 4.595 4.640 0.025 0.000 0.201 277 D C 1.892 178.201 176.300 0.015 0.000 0.972 277 D CA 1.110 55.240 54.000 0.216 0.000 0.835 277 D CB -0.315 40.792 40.800 0.511 0.000 0.966 277 D HN 0.162 nan 8.370 nan 0.000 0.476 278 A N 1.391 124.226 122.820 0.024 0.000 1.883 278 A HA -0.254 4.082 4.320 0.025 0.000 0.217 278 A C 2.067 179.641 177.584 -0.017 0.000 1.186 278 A CA 1.668 53.704 52.037 -0.003 0.000 0.624 278 A CB -0.459 18.494 19.000 -0.078 0.000 0.822 278 A HN 0.146 nan 8.150 nan 0.000 0.444 279 K N -0.934 119.444 120.400 -0.036 0.000 2.063 279 K HA -0.113 4.222 4.320 0.025 0.000 0.208 279 K C 2.162 178.817 176.600 0.092 0.000 1.048 279 K CA 1.158 57.502 56.287 0.095 0.000 0.928 279 K CB -0.517 32.047 32.500 0.108 0.000 0.713 279 K HN 0.483 nan 8.250 nan 0.000 0.442 280 G N 1.432 110.033 108.800 -0.331 0.000 2.446 280 G HA2 -0.239 3.736 3.960 0.025 0.000 0.217 280 G HA3 -0.239 3.736 3.960 0.025 0.000 0.217 280 G C 1.495 176.058 174.900 -0.562 0.000 1.168 280 G CA 0.722 45.247 45.100 -0.958 0.000 0.771 280 G HN 0.092 nan 8.290 nan 0.000 0.551 281 L N -0.924 120.110 121.223 -0.316 0.000 2.017 281 L HA 0.021 4.376 4.340 0.025 0.000 0.208 281 L C 2.555 179.538 176.870 0.188 0.000 1.073 281 L CA 1.123 56.010 54.840 0.078 0.000 0.745 281 L CB -0.515 41.655 42.059 0.184 0.000 0.894 281 L HN 0.236 nan 8.230 nan 0.000 0.432 282 F N 0.559 120.508 119.950 -0.000 0.000 2.069 282 F HA -0.291 4.252 4.527 0.026 0.000 0.298 282 F C 2.507 178.251 175.800 -0.093 0.000 1.113 282 F CA 2.038 59.997 58.000 -0.069 0.000 1.214 282 F CB -0.245 38.655 39.000 -0.167 0.000 0.978 282 F HN 0.087 nan 8.300 nan 0.000 0.474 283 H N -0.714 118.526 119.070 0.284 0.000 2.428 283 H HA 0.086 4.657 4.556 0.025 0.000 0.296 283 H C 2.250 177.664 175.328 0.143 0.000 1.062 283 H CA 1.001 57.170 56.048 0.201 0.000 1.350 283 H CB -0.386 29.525 29.762 0.248 0.000 1.403 283 H HN 0.351 nan 8.280 nan 0.000 0.533 284 A N 0.074 123.054 122.820 0.267 0.000 1.930 284 A HA -0.176 4.159 4.320 0.025 0.000 0.217 284 A C 2.308 180.150 177.584 0.431 0.000 1.175 284 A CA 1.933 54.171 52.037 0.336 0.000 0.627 284 A CB -0.851 18.331 19.000 0.303 0.000 0.815 284 A HN 0.388 nan 8.150 nan 0.000 0.443 285 T N 0.449 115.202 114.554 0.331 0.000 2.684 285 T HA -0.128 4.237 4.350 0.025 0.000 0.267 285 T C 1.802 176.567 174.700 0.107 0.000 1.036 285 T CA 1.628 63.790 62.100 0.102 0.000 1.148 285 T CB -0.420 68.331 68.868 -0.195 0.000 0.863 285 T HN 0.426 nan 8.240 nan 0.000 0.436 286 I N 0.581 121.156 120.570 0.009 0.000 2.179 286 I HA -0.170 4.016 4.170 0.025 0.000 0.242 286 I C 2.856 179.086 176.117 0.189 0.000 1.088 286 I CA 1.247 62.581 61.300 0.057 0.000 1.357 286 I CB -0.377 37.465 38.000 -0.263 0.000 1.051 286 I HN 0.132 nan 8.210 nan 0.000 0.409 287 R N 0.965 121.584 120.500 0.199 0.000 2.112 287 R HA -0.240 4.115 4.340 0.025 0.000 0.242 287 R C 1.676 178.093 176.300 0.195 0.000 1.137 287 R CA 2.473 58.701 56.100 0.214 0.000 0.944 287 R CB -0.229 30.208 30.300 0.227 0.000 0.857 287 R HN 0.345 nan 8.270 nan 0.000 0.435 288 D N -1.288 119.242 120.400 0.217 0.000 2.240 288 D HA 0.030 4.686 4.640 0.025 0.000 0.206 288 D C 1.098 177.448 176.300 0.082 0.000 0.963 288 D CA 1.277 55.378 54.000 0.168 0.000 0.863 288 D CB 0.448 41.402 40.800 0.257 0.000 0.973 288 D HN 0.415 nan 8.370 nan 0.000 0.501 289 A N -0.689 122.189 122.820 0.098 0.000 2.312 289 A HA 0.065 4.400 4.320 0.025 0.000 0.215 289 A C 0.366 178.009 177.584 0.097 0.000 1.256 289 A CA -0.471 51.609 52.037 0.071 0.000 0.966 289 A CB -0.027 18.966 19.000 -0.010 0.000 1.053 289 A HN 0.237 nan 8.150 nan 0.000 0.510 290 W N 1.199 122.429 121.300 -0.117 0.000 2.388 290 W HA 0.397 5.073 4.660 0.027 0.000 0.308 290 W C 0.412 176.797 176.519 -0.224 0.000 1.263 290 W CA -0.025 57.035 57.345 -0.475 0.000 1.286 290 W CB 0.315 29.476 29.460 -0.498 0.000 1.294 290 W HN 0.757 nan 8.180 nan 0.000 0.493 291 A N 6.465 128.579 122.820 -1.177 0.000 2.560 291 A HA -0.234 4.101 4.320 0.025 0.000 0.299 291 A C -1.664 175.704 177.584 -0.360 0.000 1.484 291 A CA 0.893 52.415 52.037 -0.857 0.000 0.749 291 A CB -1.657 16.756 19.000 -0.979 0.000 1.072 291 A HN 0.601 nan 8.150 nan 0.000 0.426 292 P HA 0.108 nan 4.420 nan 0.000 0.251 292 P C 0.208 177.452 177.300 -0.094 0.000 1.223 292 P CA 1.334 64.366 63.100 -0.113 0.000 0.796 292 P CB 0.187 31.841 31.700 -0.076 0.000 1.068 293 D N -2.072 118.251 120.400 -0.129 0.000 2.620 293 D HA 0.265 4.920 4.640 0.025 0.000 0.260 293 D C 1.130 177.372 176.300 -0.097 0.000 1.367 293 D CA -0.282 53.661 54.000 -0.096 0.000 0.805 293 D CB -0.364 40.380 40.800 -0.094 0.000 1.096 293 D HN 0.132 nan 8.370 nan 0.000 0.488 294 G N -0.847 107.890 108.800 -0.105 0.000 2.157 294 G HA2 0.127 4.102 3.960 0.025 0.000 0.239 294 G HA3 0.127 4.102 3.960 0.025 0.000 0.239 294 G C 0.275 175.114 174.900 -0.101 0.000 0.982 294 G CA -0.027 45.023 45.100 -0.084 0.000 0.650 294 G HN 1.028 nan 8.290 nan 0.000 0.527 295 A N -0.600 122.125 122.820 -0.158 0.000 2.556 295 A HA 0.704 5.039 4.320 0.025 0.000 0.294 295 A C -0.549 176.855 177.584 -0.300 0.000 1.091 295 A CA -0.281 51.654 52.037 -0.171 0.000 0.704 295 A CB 1.186 20.089 19.000 -0.161 0.000 1.300 295 A HN 0.084 nan 8.150 nan 0.000 0.406 296 D N -0.046 120.201 120.400 -0.255 0.000 2.361 296 D HA 0.512 5.167 4.640 0.025 0.000 0.239 296 D C 0.733 176.632 176.300 -0.669 0.000 1.200 296 D CA 1.986 55.690 54.000 -0.494 0.000 0.915 296 D CB 0.942 41.773 40.800 0.051 0.000 1.170 296 D HN 1.482 nan 8.370 nan 0.000 0.444 297 G N -0.552 107.327 108.800 -1.535 0.000 2.459 297 G HA2 -0.045 3.931 3.960 0.025 0.000 0.685 297 G HA3 -0.045 3.931 3.960 0.025 0.000 0.685 297 G C -1.265 173.076 174.900 -0.931 0.000 1.303 297 G CA -1.051 43.386 45.100 -1.105 0.000 0.907 297 G HN 0.257 nan 8.290 nan 0.000 0.632 298 F N 0.980 120.722 119.950 -0.346 0.000 2.405 298 F HA 0.501 5.043 4.527 0.025 0.000 0.355 298 F C 1.460 177.109 175.800 -0.253 0.000 1.121 298 F CA -0.243 57.603 58.000 -0.258 0.000 1.112 298 F CB 1.623 40.443 39.000 -0.299 0.000 1.126 298 F HN 0.576 nan 8.300 nan 0.000 0.481 299 V N 1.945 121.831 119.914 -0.046 0.000 3.287 299 V HA -0.085 4.050 4.120 0.025 0.000 0.306 299 V C 0.587 176.648 176.094 -0.055 0.000 1.103 299 V CA -0.211 62.056 62.300 -0.055 0.000 1.159 299 V CB 0.387 32.168 31.823 -0.071 0.000 1.036 299 V HN 0.831 nan 8.190 nan 0.000 0.487 300 Y N 2.004 122.209 120.300 -0.158 0.000 2.231 300 Y HA 0.198 4.763 4.550 0.025 0.000 0.294 300 Y C 1.475 177.269 175.900 -0.176 0.000 1.120 300 Y CA 0.981 58.974 58.100 -0.178 0.000 1.141 300 Y CB 0.022 38.431 38.460 -0.085 0.000 1.022 300 Y HN 1.013 nan 8.280 nan 0.000 0.523 301 S N -0.135 115.471 115.700 -0.156 0.000 2.588 301 S HA 0.706 5.191 4.470 0.025 0.000 0.275 301 S C -1.063 173.439 174.600 -0.162 0.000 1.130 301 S CA -0.240 57.810 58.200 -0.250 0.000 0.855 301 S CB 1.843 64.941 63.200 -0.170 0.000 1.116 301 S HN 0.488 nan 8.310 nan 0.000 0.472 302 V N -0.969 118.823 119.914 -0.203 0.000 3.040 302 V HA 0.819 4.955 4.120 0.025 0.000 0.312 302 V C -0.610 175.347 176.094 -0.228 0.000 1.115 302 V CA -1.013 61.207 62.300 -0.134 0.000 0.998 302 V CB 1.406 33.188 31.823 -0.069 0.000 1.042 302 V HN 1.074 nan 8.190 nan 0.000 0.433 303 D N 1.259 121.569 120.400 -0.150 0.000 2.414 303 D HA 0.158 4.813 4.640 0.025 0.000 0.259 303 D C 0.561 176.694 176.300 -0.278 0.000 1.269 303 D CA -0.438 53.401 54.000 -0.269 0.000 1.028 303 D CB 0.343 41.147 40.800 0.007 0.000 1.093 303 D HN 0.706 nan 8.370 nan 0.000 0.545 304 W N -1.267 120.069 121.300 0.061 0.000 2.825 304 W HA 0.076 4.751 4.660 0.025 0.000 0.243 304 W C 0.810 177.360 176.519 0.052 0.000 1.293 304 W CA -0.175 57.193 57.345 0.038 0.000 1.403 304 W CB 0.233 29.695 29.460 0.003 0.000 1.134 304 W HN 0.218 nan 8.180 nan 0.000 0.666 305 D N -0.787 119.742 120.400 0.216 0.000 2.349 305 D HA 0.123 4.778 4.640 0.025 0.000 0.214 305 D C 1.934 178.318 176.300 0.140 0.000 1.063 305 D CA 0.995 55.091 54.000 0.160 0.000 0.847 305 D CB 0.277 41.152 40.800 0.125 0.000 0.933 305 D HN 0.184 nan 8.370 nan 0.000 0.513 306 G N 1.335 110.221 108.800 0.145 0.000 2.176 306 G HA2 -0.288 3.687 3.960 0.025 0.000 0.253 306 G HA3 -0.288 3.687 3.960 0.025 0.000 0.253 306 G C 0.333 175.284 174.900 0.085 0.000 0.979 306 G CA -0.266 44.924 45.100 0.150 0.000 0.641 306 G HN 0.270 nan 8.290 nan 0.000 0.530 307 K N 1.511 121.946 120.400 0.059 0.000 2.339 307 K HA 0.359 4.694 4.320 0.025 0.000 0.286 307 K C -2.321 174.285 176.600 0.010 0.000 1.050 307 K CA -1.586 54.722 56.287 0.036 0.000 0.956 307 K CB 0.850 33.375 32.500 0.041 0.000 0.990 307 K HN 0.072 nan 8.250 nan 0.000 0.475 308 P HA -0.045 nan 4.420 nan 0.000 0.266 308 P C -0.064 177.235 177.300 -0.001 0.000 1.195 308 P CA 0.467 63.555 63.100 -0.020 0.000 0.768 308 P CB 0.583 32.265 31.700 -0.031 0.000 0.838 309 I N 1.435 122.010 120.570 0.007 0.000 3.744 309 I HA 0.041 4.226 4.170 0.025 0.000 0.240 309 I C 0.239 176.381 176.117 0.043 0.000 1.096 309 I CA 0.258 61.581 61.300 0.038 0.000 1.558 309 I CB -0.030 38.023 38.000 0.089 0.000 1.531 309 I HN -0.033 nan 8.210 nan 0.000 0.459 310 V N 3.278 123.238 119.914 0.078 0.000 2.368 310 V HA 0.206 4.341 4.120 0.025 0.000 0.266 310 V C 1.013 177.151 176.094 0.073 0.000 1.045 310 V CA -0.024 62.339 62.300 0.105 0.000 0.899 310 V CB 0.679 32.648 31.823 0.243 0.000 1.006 310 V HN 0.295 nan 8.190 nan 0.000 0.470 311 R N 1.773 122.285 120.500 0.020 0.000 2.300 311 R HA 0.106 4.462 4.340 0.025 0.000 0.199 311 R C 0.220 176.504 176.300 -0.026 0.000 0.920 311 R CA -0.191 55.899 56.100 -0.016 0.000 1.046 311 R CB 0.356 30.632 30.300 -0.039 0.000 0.984 311 R HN 0.636 nan 8.270 nan 0.000 0.493 312 E N 1.385 121.577 120.200 -0.014 0.000 2.481 312 E HA -0.061 4.304 4.350 0.025 0.000 0.263 312 E C -0.396 176.191 176.600 -0.023 0.000 0.992 312 E CA 0.617 56.998 56.400 -0.033 0.000 0.938 312 E CB 0.377 30.044 29.700 -0.057 0.000 0.933 312 E HN -0.149 nan 8.360 nan 0.000 0.453 313 R N 1.903 122.388 120.500 -0.025 0.000 2.296 313 R HA 0.254 4.609 4.340 0.025 0.000 0.327 313 R C -0.834 175.471 176.300 0.009 0.000 1.137 313 R CA -0.323 55.775 56.100 -0.003 0.000 1.020 313 R CB 0.471 30.795 30.300 0.041 0.000 1.110 313 R HN 0.214 nan 8.270 nan 0.000 0.499 314 V N 3.277 123.164 119.914 -0.045 0.000 2.834 314 V HA 0.156 4.291 4.120 0.025 0.000 0.301 314 V C 1.876 177.908 176.094 -0.103 0.000 1.066 314 V CA -0.394 61.866 62.300 -0.066 0.000 1.052 314 V CB 1.495 33.254 31.823 -0.108 0.000 1.021 314 V HN 0.746 nan 8.190 nan 0.000 0.480 315 R N 2.638 123.121 120.500 -0.027 0.000 2.070 315 R HA -0.129 4.227 4.340 0.025 0.000 0.233 315 R C 2.259 178.513 176.300 -0.077 0.000 1.137 315 R CA 2.371 58.499 56.100 0.046 0.000 0.945 315 R CB -0.191 30.172 30.300 0.105 0.000 0.845 315 R HN 0.954 nan 8.270 nan 0.000 0.430 316 W N 0.611 121.793 121.300 -0.197 0.000 2.374 316 W HA 0.002 4.677 4.660 0.024 0.000 0.288 316 W C -1.373 174.977 176.519 -0.282 0.000 1.218 316 W CA 0.343 57.458 57.345 -0.384 0.000 1.245 316 W CB -1.924 27.011 29.460 -0.876 0.000 1.126 316 W HN 0.108 nan 8.180 nan 0.000 0.545 317 P HA -0.213 nan 4.420 nan 0.000 0.215 317 P C 2.122 179.065 177.300 -0.595 0.000 1.157 317 P CA 2.290 64.864 63.100 -0.878 0.000 0.874 317 P CB -0.375 30.747 31.700 -0.962 0.000 0.790 318 I N -1.165 119.187 120.570 -0.364 0.000 2.439 318 I HA -0.164 4.021 4.170 0.025 0.000 0.251 318 I C 1.793 177.787 176.117 -0.205 0.000 1.139 318 I CA 1.019 62.151 61.300 -0.280 0.000 1.438 318 I CB -0.091 37.884 38.000 -0.042 0.000 1.085 318 I HN -0.220 nan 8.210 nan 0.000 0.427 319 V N 1.156 121.014 119.914 -0.094 0.000 2.295 319 V HA -0.256 3.879 4.120 0.025 0.000 0.246 319 V C 2.484 178.604 176.094 0.043 0.000 1.049 319 V CA 1.837 64.118 62.300 -0.033 0.000 1.024 319 V CB -0.704 31.077 31.823 -0.070 0.000 0.648 319 V HN 0.430 nan 8.190 nan 0.000 0.447 320 E N 0.220 120.448 120.200 0.047 0.000 2.106 320 E HA -0.150 4.215 4.350 0.025 0.000 0.192 320 E C 2.375 178.995 176.600 0.032 0.000 0.984 320 E CA 1.408 57.882 56.400 0.123 0.000 0.806 320 E CB -0.604 29.218 29.700 0.204 0.000 0.750 320 E HN 0.564 nan 8.360 nan 0.000 0.458 321 A N 1.100 123.790 122.820 -0.216 0.000 1.917 321 A HA -0.220 4.115 4.320 0.025 0.000 0.219 321 A C 2.303 180.038 177.584 0.252 0.000 1.182 321 A CA 2.012 53.866 52.037 -0.305 0.000 0.633 321 A CB -0.569 17.728 19.000 -1.171 0.000 0.819 321 A HN 0.191 nan 8.150 nan 0.000 0.448 322 M N -0.640 119.141 119.600 0.301 0.000 2.117 322 M HA -0.064 4.431 4.480 0.025 0.000 0.262 322 M C 2.329 179.026 176.300 0.663 0.000 1.065 322 M CA 1.461 57.162 55.300 0.668 0.000 1.114 322 M CB -0.649 32.180 32.600 0.381 0.000 1.361 322 M HN 0.479 nan 8.290 nan 0.000 0.408 323 G N -0.371 108.690 108.800 0.435 0.000 2.440 323 G HA2 -0.211 3.764 3.960 0.025 0.000 0.218 323 G HA3 -0.211 3.764 3.960 0.025 0.000 0.218 323 G C 1.496 176.592 174.900 0.326 0.000 1.154 323 G CA 1.669 46.993 45.100 0.373 0.000 0.767 323 G HN 0.414 nan 8.290 nan 0.000 0.552 324 T N 1.520 116.253 114.554 0.300 0.000 2.857 324 T HA 0.138 4.503 4.350 0.025 0.000 0.266 324 T C 2.816 177.614 174.700 0.163 0.000 1.048 324 T CA 1.234 63.463 62.100 0.215 0.000 1.139 324 T CB -0.313 68.728 68.868 0.289 0.000 0.874 324 T HN 0.376 nan 8.240 nan 0.000 0.455 325 A N 0.983 124.083 122.820 0.466 0.000 1.908 325 A HA -0.159 4.176 4.320 0.025 0.000 0.218 325 A C 2.084 179.808 177.584 0.232 0.000 1.181 325 A CA 1.781 54.056 52.037 0.397 0.000 0.627 325 A CB -1.092 18.415 19.000 0.845 0.000 0.818 325 A HN 0.592 nan 8.150 nan 0.000 0.445 326 Y N 0.627 120.992 120.300 0.109 0.000 2.145 326 Y HA -0.109 4.454 4.550 0.022 0.000 0.286 326 Y C 2.651 178.354 175.900 -0.329 0.000 1.145 326 Y CA 1.433 59.300 58.100 -0.388 0.000 1.148 326 Y CB -0.704 37.549 38.460 -0.346 0.000 0.981 326 Y HN 0.301 nan 8.280 nan 0.000 0.507 327 A N 0.395 123.027 122.820 -0.313 0.000 1.902 327 A HA -0.166 4.170 4.320 0.025 0.000 0.217 327 A C 2.351 179.622 177.584 -0.522 0.000 1.181 327 A CA 1.899 53.660 52.037 -0.461 0.000 0.623 327 A CB -1.187 17.627 19.000 -0.310 0.000 0.818 327 A HN 0.578 nan 8.150 nan 0.000 0.443 328 L N -2.239 118.656 121.223 -0.546 0.000 2.056 328 L HA -0.183 4.173 4.340 0.025 0.000 0.207 328 L C 2.575 179.086 176.870 -0.598 0.000 1.078 328 L CA 1.713 56.085 54.840 -0.780 0.000 0.749 328 L CB -0.598 40.574 42.059 -1.478 0.000 0.901 328 L HN 0.604 nan 8.230 nan 0.000 0.433 329 Y N 0.831 120.845 120.300 -0.476 0.000 2.165 329 Y HA -0.311 4.253 4.550 0.022 0.000 0.286 329 Y C 2.607 178.309 175.900 -0.330 0.000 1.155 329 Y CA 2.207 60.183 58.100 -0.205 0.000 1.164 329 Y CB -0.521 37.893 38.460 -0.076 0.000 0.978 329 Y HN 0.070 nan 8.280 nan 0.000 0.513 330 T N 1.033 115.231 114.554 -0.594 0.000 2.746 330 T HA -0.166 4.199 4.350 0.025 0.000 0.267 330 T C 1.948 176.365 174.700 -0.472 0.000 1.039 330 T CA 1.824 63.559 62.100 -0.607 0.000 1.142 330 T CB -0.401 68.032 68.868 -0.725 0.000 0.866 330 T HN 0.325 nan 8.240 nan 0.000 0.444 331 L N 0.886 121.840 121.223 -0.447 0.000 2.270 331 L HA 0.031 4.386 4.340 0.025 0.000 0.210 331 L C 2.802 179.491 176.870 -0.302 0.000 1.104 331 L CA 1.332 55.949 54.840 -0.373 0.000 0.804 331 L CB -0.545 41.245 42.059 -0.448 0.000 0.937 331 L HN 0.427 nan 8.230 nan 0.000 0.450 332 T N -6.366 108.011 114.554 -0.295 0.000 2.990 332 T HA 0.026 4.391 4.350 0.025 0.000 0.250 332 T C 0.680 175.282 174.700 -0.164 0.000 1.041 332 T CA 0.113 62.114 62.100 -0.164 0.000 1.010 332 T CB 0.197 69.051 68.868 -0.024 0.000 1.003 332 T HN 0.233 nan 8.240 nan 0.000 0.499 333 D N 1.400 121.592 120.400 -0.346 0.000 3.039 333 D HA -0.140 4.515 4.640 0.025 0.000 0.222 333 D C -0.488 175.736 176.300 -0.126 0.000 1.179 333 D CA 1.157 54.913 54.000 -0.408 0.000 0.880 333 D CB -1.342 39.325 40.800 -0.223 0.000 1.115 333 D HN 0.543 nan 8.370 nan 0.000 0.416 334 D N 0.580 121.005 120.400 0.043 0.000 2.316 334 D HA 0.184 4.839 4.640 0.025 0.000 0.245 334 D C 1.365 177.842 176.300 0.294 0.000 1.171 334 D CA 0.223 54.317 54.000 0.158 0.000 0.856 334 D CB 1.139 42.030 40.800 0.152 0.000 1.090 334 D HN 0.039 nan 8.370 nan 0.000 0.476 335 S N 3.091 118.919 115.700 0.214 0.000 2.469 335 S HA -0.301 4.184 4.470 0.025 0.000 0.238 335 S C 1.721 176.320 174.600 -0.002 0.000 0.998 335 S CA 1.255 59.555 58.200 0.166 0.000 0.957 335 S CB -0.457 62.782 63.200 0.065 0.000 0.764 335 S HN 0.721 nan 8.310 nan 0.000 0.514 336 Q N 0.331 120.062 119.800 -0.114 0.000 2.197 336 Q HA -0.215 4.141 4.340 0.025 0.000 0.207 336 Q C 1.695 177.609 176.000 -0.144 0.000 0.984 336 Q CA 1.717 57.374 55.803 -0.243 0.000 0.869 336 Q CB -0.959 27.597 28.738 -0.303 0.000 0.906 336 Q HN 0.737 nan 8.270 nan 0.000 0.426 337 Y N 1.095 121.508 120.300 0.189 0.000 2.263 337 Y HA -0.117 4.448 4.550 0.024 0.000 0.292 337 Y C 2.474 178.511 175.900 0.228 0.000 1.130 337 Y CA 1.167 59.400 58.100 0.221 0.000 1.179 337 Y CB 0.039 38.573 38.460 0.124 0.000 0.998 337 Y HN 0.263 nan 8.280 nan 0.000 0.532 338 E N 0.877 121.213 120.200 0.226 0.000 2.077 338 E HA -0.235 4.130 4.350 0.025 0.000 0.193 338 E C 1.695 178.107 176.600 -0.313 0.000 0.989 338 E CA 1.565 57.836 56.400 -0.215 0.000 0.800 338 E CB 0.012 29.384 29.700 -0.547 0.000 0.746 338 E HN 0.532 nan 8.360 nan 0.000 0.452 339 E N -0.336 119.681 120.200 -0.306 0.000 2.077 339 E HA -0.201 4.164 4.350 0.025 0.000 0.193 339 E C 1.749 178.027 176.600 -0.536 0.000 0.989 339 E CA 1.425 57.548 56.400 -0.462 0.000 0.800 339 E CB -0.256 29.152 29.700 -0.486 0.000 0.746 339 E HN 0.438 nan 8.360 nan 0.000 0.452 340 W N 0.104 121.121 121.300 -0.472 0.000 2.335 340 W HA -0.237 4.438 4.660 0.024 0.000 0.311 340 W C 2.320 178.248 176.519 -0.984 0.000 1.213 340 W CA 1.060 57.833 57.345 -0.954 0.000 1.274 340 W CB -0.508 28.424 29.460 -0.881 0.000 1.148 340 W HN 0.165 nan 8.180 nan 0.000 0.498 341 Y N 1.454 121.634 120.300 -0.200 0.000 2.114 341 Y HA -0.376 4.190 4.550 0.026 0.000 0.282 341 Y C 2.364 178.260 175.900 -0.005 0.000 1.165 341 Y CA 2.466 60.620 58.100 0.088 0.000 1.148 341 Y CB -0.752 37.825 38.460 0.195 0.000 0.972 341 Y HN 0.056 nan 8.280 nan 0.000 0.504 342 Q N 0.095 119.688 119.800 -0.344 0.000 2.050 342 Q HA -0.219 4.136 4.340 0.025 0.000 0.202 342 Q C 2.351 178.162 176.000 -0.315 0.000 0.980 342 Q CA 1.848 57.252 55.803 -0.664 0.000 0.840 342 Q CB -0.277 27.760 28.738 -1.169 0.000 0.898 342 Q HN 0.446 nan 8.270 nan 0.000 0.424 343 K N 0.056 120.240 120.400 -0.359 0.000 2.063 343 K HA -0.188 4.148 4.320 0.025 0.000 0.208 343 K C 1.663 178.298 176.600 0.058 0.000 1.048 343 K CA 1.447 57.600 56.287 -0.224 0.000 0.928 343 K CB -0.017 32.213 32.500 -0.450 0.000 0.713 343 K HN 0.268 nan 8.250 nan 0.000 0.442 344 W N -0.170 121.133 121.300 0.006 0.000 2.418 344 W HA -0.095 4.580 4.660 0.025 0.000 0.292 344 W C 1.848 178.424 176.519 0.096 0.000 1.213 344 W CA 0.094 57.455 57.345 0.026 0.000 1.283 344 W CB -1.338 28.091 29.460 -0.051 0.000 1.119 344 W HN 0.245 nan 8.180 nan 0.000 0.542 345 W N 1.208 122.637 121.300 0.215 0.000 2.338 345 W HA -0.228 4.448 4.660 0.026 0.000 0.304 345 W C 2.116 178.731 176.519 0.160 0.000 1.212 345 W CA 1.377 58.820 57.345 0.163 0.000 1.264 345 W CB -0.390 29.139 29.460 0.115 0.000 1.142 345 W HN -0.240 nan 8.180 nan 0.000 0.512 346 D N -1.205 119.436 120.400 0.402 0.000 2.117 346 D HA -0.262 4.393 4.640 0.025 0.000 0.197 346 D C 1.597 178.060 176.300 0.271 0.000 0.987 346 D CA 1.538 55.698 54.000 0.267 0.000 0.829 346 D CB -0.980 39.928 40.800 0.180 0.000 0.961 346 D HN 0.274 nan 8.370 nan 0.000 0.460 347 Y N 1.002 121.460 120.300 0.263 0.000 2.181 347 Y HA -0.257 4.308 4.550 0.025 0.000 0.288 347 Y C 2.394 178.444 175.900 0.250 0.000 1.146 347 Y CA 1.329 59.627 58.100 0.331 0.000 1.164 347 Y CB -0.302 38.461 38.460 0.505 0.000 0.982 347 Y HN -0.026 nan 8.280 nan 0.000 0.515 348 C N 0.278 119.821 119.300 0.405 0.000 2.432 348 C HA -0.202 4.274 4.460 0.025 0.000 0.277 348 C C 2.728 177.640 174.990 -0.130 0.000 1.249 348 C CA 1.457 60.544 59.018 0.115 0.000 1.725 348 C CB -1.367 26.375 27.740 0.003 0.000 2.028 348 C HN 0.754 nan 8.230 nan 0.000 0.477 349 I N 0.530 121.110 120.570 0.016 0.000 2.439 349 I HA -0.157 4.029 4.170 0.025 0.000 0.251 349 I C 2.532 178.584 176.117 -0.109 0.000 1.139 349 I CA 1.379 62.661 61.300 -0.029 0.000 1.438 349 I CB -0.395 37.668 38.000 0.104 0.000 1.085 349 I HN 0.319 nan 8.210 nan 0.000 0.427 350 K N -0.119 120.159 120.400 -0.204 0.000 2.097 350 K HA -0.182 4.153 4.320 0.025 0.000 0.205 350 K C 1.354 177.610 176.600 -0.573 0.000 1.050 350 K CA 1.830 57.839 56.287 -0.464 0.000 0.938 350 K CB -0.018 32.052 32.500 -0.717 0.000 0.718 350 K HN 0.425 nan 8.250 nan 0.000 0.442 351 Y N -1.513 118.645 120.300 -0.236 0.000 2.585 351 Y HA 0.174 4.740 4.550 0.025 0.000 0.272 351 Y C 1.588 177.465 175.900 -0.039 0.000 1.119 351 Y CA -0.416 57.550 58.100 -0.224 0.000 1.255 351 Y CB 0.650 38.803 38.460 -0.512 0.000 1.284 351 Y HN -0.124 nan 8.280 nan 0.000 0.499 352 L N -0.653 120.604 121.223 0.056 0.000 2.388 352 L HA 0.198 4.553 4.340 0.025 0.000 0.209 352 L C 0.404 177.186 176.870 -0.146 0.000 1.061 352 L CA 0.141 55.058 54.840 0.129 0.000 0.834 352 L CB 0.139 42.305 42.059 0.178 0.000 1.029 352 L HN 0.074 nan 8.230 nan 0.000 0.473 353 M N 0.925 120.187 119.600 -0.564 0.000 2.238 353 M HA -0.009 4.486 4.480 0.025 0.000 0.350 353 M C -0.492 175.492 176.300 -0.525 0.000 1.321 353 M CA 0.497 55.277 55.300 -0.867 0.000 1.097 353 M CB 0.300 32.347 32.600 -0.922 0.000 1.713 353 M HN -0.114 nan 8.290 nan 0.000 0.455 354 D N 2.420 122.442 120.400 -0.631 0.000 2.432 354 D HA 0.177 4.832 4.640 0.025 0.000 0.265 354 D C -0.112 175.960 176.300 -0.380 0.000 1.160 354 D CA -0.207 53.453 54.000 -0.565 0.000 0.911 354 D CB 0.259 40.377 40.800 -1.137 0.000 1.052 354 D HN 0.476 nan 8.370 nan 0.000 0.508 355 Y N 1.013 121.226 120.300 -0.145 0.000 2.373 355 Y HA -0.083 4.482 4.550 0.024 0.000 0.293 355 Y C 2.140 178.006 175.900 -0.056 0.000 1.129 355 Y CA 0.629 58.678 58.100 -0.085 0.000 1.226 355 Y CB 0.342 38.773 38.460 -0.050 0.000 1.000 355 Y HN 0.351 nan 8.280 nan 0.000 0.549 356 E N 0.748 121.003 120.200 0.092 0.000 2.015 356 E HA -0.153 4.212 4.350 0.025 0.000 0.191 356 E C 1.337 177.960 176.600 0.039 0.000 0.991 356 E CA 1.778 58.224 56.400 0.076 0.000 0.802 356 E CB -0.188 29.574 29.700 0.104 0.000 0.759 356 E HN 0.323 nan 8.360 nan 0.000 0.447 357 N N -0.385 118.291 118.700 -0.041 0.000 2.254 357 N HA 0.197 4.952 4.740 0.025 0.000 0.190 357 N C -0.008 175.497 175.510 -0.009 0.000 1.107 357 N CA 0.788 53.825 53.050 -0.022 0.000 0.869 357 N CB 1.337 39.790 38.487 -0.056 0.000 0.983 357 N HN 0.236 nan 8.380 nan 0.000 0.487 358 G N 0.746 109.471 108.800 -0.125 0.000 2.617 358 G HA2 -0.013 3.963 3.960 0.025 0.000 0.686 358 G HA3 -0.013 3.963 3.960 0.025 0.000 0.686 358 G C -0.126 174.409 174.900 -0.609 0.000 1.214 358 G CA -0.230 44.781 45.100 -0.149 0.000 0.796 358 G HN 0.257 nan 8.290 nan 0.000 0.654 359 S N -1.225 114.085 115.700 -0.650 0.000 3.469 359 S HA -0.164 4.321 4.470 0.025 0.000 0.628 359 S C 0.110 174.587 174.600 -0.205 0.000 2.687 359 S CA 2.179 59.993 58.200 -0.643 0.000 3.829 359 S CB -1.032 61.289 63.200 -1.464 0.000 0.258 359 S HN 2.029 nan 8.310 nan 0.000 1.222 360 W N -0.020 120.937 121.300 -0.572 0.000 2.864 360 W HA 0.636 5.310 4.660 0.024 0.000 0.343 360 W C -0.735 175.563 176.519 -0.368 0.000 1.109 360 W CA -1.415 55.676 57.345 -0.423 0.000 1.192 360 W CB -0.246 29.095 29.460 -0.200 0.000 1.426 360 W HN 0.699 nan 8.180 nan 0.000 0.529 361 W N 1.746 123.122 121.300 0.126 0.000 2.209 361 W HA 0.094 4.770 4.660 0.026 0.000 0.344 361 W C 1.772 178.353 176.519 0.104 0.000 1.285 361 W CA 0.105 57.504 57.345 0.089 0.000 1.267 361 W CB 0.319 29.821 29.460 0.070 0.000 1.167 361 W HN 0.381 nan 8.180 nan 0.000 0.574 362 Q N 0.923 120.920 119.800 0.329 0.000 2.269 362 Q HA -0.008 4.348 4.340 0.025 0.000 0.201 362 Q C -0.174 175.923 176.000 0.162 0.000 0.946 362 Q CA 1.307 57.207 55.803 0.162 0.000 0.877 362 Q CB 0.352 29.152 28.738 0.103 0.000 0.963 362 Q HN 0.536 nan 8.270 nan 0.000 0.472 363 E N -0.541 119.783 120.200 0.206 0.000 2.347 363 E HA 0.382 4.747 4.350 0.025 0.000 0.285 363 E C -1.661 174.980 176.600 0.067 0.000 0.925 363 E CA -0.379 56.099 56.400 0.130 0.000 0.779 363 E CB 0.903 30.691 29.700 0.147 0.000 1.233 363 E HN 0.206 nan 8.360 nan 0.000 0.414 364 L N 2.611 123.851 121.223 0.029 0.000 2.333 364 L HA 0.503 4.858 4.340 0.025 0.000 0.269 364 L C 0.065 176.901 176.870 -0.056 0.000 1.010 364 L CA -1.214 53.601 54.840 -0.041 0.000 0.818 364 L CB 1.392 43.422 42.059 -0.049 0.000 1.306 364 L HN 0.633 nan 8.230 nan 0.000 0.430 365 D N 0.960 121.310 120.400 -0.085 0.000 2.414 365 D HA 0.169 4.825 4.640 0.025 0.000 0.251 365 D C 0.998 177.241 176.300 -0.095 0.000 1.252 365 D CA -0.126 53.826 54.000 -0.079 0.000 0.999 365 D CB 0.787 41.539 40.800 -0.078 0.000 1.093 365 D HN 0.562 nan 8.370 nan 0.000 0.515 366 A N -0.492 122.276 122.820 -0.087 0.000 2.131 366 A HA -0.138 4.197 4.320 0.025 0.000 0.220 366 A C 1.130 178.638 177.584 -0.127 0.000 1.158 366 A CA 1.260 53.236 52.037 -0.100 0.000 0.665 366 A CB -0.483 18.468 19.000 -0.081 0.000 0.795 366 A HN 0.546 nan 8.150 nan 0.000 0.460 367 D N -0.099 120.224 120.400 -0.128 0.000 2.388 367 D HA 0.061 4.716 4.640 0.025 0.000 0.221 367 D C -0.211 175.957 176.300 -0.220 0.000 1.133 367 D CA -0.119 53.794 54.000 -0.144 0.000 0.831 367 D CB -0.088 40.653 40.800 -0.098 0.000 0.962 367 D HN 0.328 nan 8.370 nan 0.000 0.502 368 N N 1.082 119.622 118.700 -0.267 0.000 2.741 368 N HA -0.183 4.572 4.740 0.025 0.000 0.250 368 N C -0.316 175.028 175.510 -0.278 0.000 1.115 368 N CA 0.865 53.667 53.050 -0.414 0.000 0.724 368 N CB -1.039 36.822 38.487 -1.042 0.000 1.090 368 N HN 0.406 nan 8.380 nan 0.000 0.558 369 K N 0.303 120.597 120.400 -0.177 0.000 2.138 369 K HA 0.485 4.820 4.320 0.025 0.000 0.263 369 K C 0.365 176.847 176.600 -0.197 0.000 0.965 369 K CA -0.729 55.466 56.287 -0.153 0.000 0.868 369 K CB 1.880 34.309 32.500 -0.118 0.000 1.083 369 K HN -0.163 nan 8.250 nan 0.000 0.443 370 V N 2.218 121.942 119.914 -0.317 0.000 2.617 370 V HA -0.022 4.113 4.120 0.025 0.000 0.304 370 V C 0.555 176.499 176.094 -0.249 0.000 1.040 370 V CA 0.647 62.691 62.300 -0.427 0.000 1.149 370 V CB 0.691 31.948 31.823 -0.943 0.000 0.914 370 V HN 0.814 nan 8.190 nan 0.000 0.487 371 T N 3.421 117.886 114.554 -0.149 0.000 2.841 371 T HA 0.575 4.940 4.350 0.025 0.000 0.296 371 T C -0.717 173.979 174.700 -0.006 0.000 1.166 371 T CA -0.354 61.701 62.100 -0.074 0.000 1.007 371 T CB 2.065 70.898 68.868 -0.059 0.000 1.253 371 T HN 0.704 nan 8.240 nan 0.000 0.511 372 T N 2.992 117.554 114.554 0.013 0.000 2.840 372 T HA 0.564 4.929 4.350 0.025 0.000 0.287 372 T C 0.027 174.744 174.700 0.028 0.000 0.991 372 T CA -0.658 61.477 62.100 0.059 0.000 0.964 372 T CB 1.669 70.581 68.868 0.074 0.000 0.954 372 T HN 0.501 nan 8.240 nan 0.000 0.438 373 K N 2.178 122.595 120.400 0.027 0.000 3.060 373 K HA 0.176 4.511 4.320 0.025 0.000 0.250 373 K C 1.642 178.201 176.600 -0.068 0.000 2.263 373 K CA 0.238 56.511 56.287 -0.022 0.000 1.402 373 K CB -0.202 32.276 32.500 -0.035 0.000 2.541 373 K HN 0.289 nan 8.250 nan 0.000 0.469 374 V N 0.833 120.683 119.914 -0.106 0.000 2.358 374 V HA -0.102 4.033 4.120 0.025 0.000 0.246 374 V C 1.000 176.874 176.094 -0.366 0.000 1.047 374 V CA 1.481 63.615 62.300 -0.276 0.000 1.035 374 V CB -0.275 31.303 31.823 -0.409 0.000 0.658 374 V HN 0.262 nan 8.190 nan 0.000 0.452 375 W N -1.666 119.626 121.300 -0.015 0.000 3.164 375 W HA 0.609 5.285 4.660 0.026 0.000 0.325 375 W C -0.958 175.652 176.519 0.151 0.000 1.228 375 W CA -0.409 56.996 57.345 0.099 0.000 1.024 375 W CB 1.061 30.591 29.460 0.116 0.000 1.534 375 W HN -0.209 nan 8.180 nan 0.000 0.614 376 D N 0.015 120.811 120.400 0.659 0.000 2.333 376 D HA 0.446 5.101 4.640 0.025 0.000 0.225 376 D C -0.145 176.538 176.300 0.639 0.000 1.345 376 D CA 0.967 55.253 54.000 0.478 0.000 0.971 376 D CB 0.349 41.332 40.800 0.304 0.000 1.451 376 D HN 0.663 nan 8.370 nan 0.000 0.561 377 G N 3.007 112.096 108.800 0.482 0.000 2.500 377 G HA2 -0.058 3.917 3.960 0.025 0.000 0.209 377 G HA3 -0.058 3.917 3.960 0.025 0.000 0.209 377 G C -0.743 174.346 174.900 0.314 0.000 1.283 377 G CA -0.672 44.704 45.100 0.460 0.000 0.960 377 G HN 0.411 nan 8.290 nan 0.000 0.528 378 K N 1.008 121.552 120.400 0.239 0.000 3.206 378 K HA 0.201 4.537 4.320 0.025 0.000 0.180 378 K C 1.354 177.967 176.600 0.022 0.000 1.088 378 K CA -0.161 56.193 56.287 0.112 0.000 0.872 378 K CB 0.985 33.572 32.500 0.144 0.000 0.976 378 K HN 0.549 nan 8.250 nan 0.000 0.564 379 Q N 0.079 119.720 119.800 -0.265 0.000 2.472 379 Q HA -0.040 4.315 4.340 0.025 0.000 0.208 379 Q C -0.505 175.234 176.000 -0.435 0.000 0.958 379 Q CA 0.955 56.428 55.803 -0.551 0.000 0.932 379 Q CB 0.031 27.856 28.738 -1.521 0.000 1.007 379 Q HN 0.273 nan 8.270 nan 0.000 0.508 380 D N 0.264 120.483 120.400 -0.300 0.000 2.362 380 D HA 0.374 5.029 4.640 0.025 0.000 0.247 380 D C 0.597 176.812 176.300 -0.141 0.000 1.050 380 D CA -0.638 53.231 54.000 -0.218 0.000 0.839 380 D CB 1.086 41.801 40.800 -0.142 0.000 1.283 380 D HN 0.165 nan 8.370 nan 0.000 0.477 381 I N 1.000 121.500 120.570 -0.117 0.000 4.327 381 I HA 0.223 4.408 4.170 0.025 0.000 0.331 381 I C 1.240 177.258 176.117 -0.165 0.000 1.348 381 I CA -0.543 60.668 61.300 -0.149 0.000 1.152 381 I CB -0.108 37.838 38.000 -0.090 0.000 1.151 381 I HN 0.410 nan 8.210 nan 0.000 0.410 382 Y N 2.605 122.752 120.300 -0.256 0.000 2.114 382 Y HA -0.289 4.276 4.550 0.026 0.000 0.282 382 Y C 2.560 178.214 175.900 -0.411 0.000 1.165 382 Y CA 2.052 59.982 58.100 -0.282 0.000 1.148 382 Y CB -0.621 37.657 38.460 -0.303 0.000 0.972 382 Y HN 0.181 nan 8.280 nan 0.000 0.504 383 H N 0.441 119.100 119.070 -0.685 0.000 2.421 383 H HA -0.126 4.445 4.556 0.025 0.000 0.298 383 H C 2.338 177.274 175.328 -0.653 0.000 1.087 383 H CA 1.854 57.421 56.048 -0.802 0.000 1.330 383 H CB -0.282 29.331 29.762 -0.247 0.000 1.388 383 H HN 0.434 nan 8.280 nan 0.000 0.526 384 L N 0.624 121.600 121.223 -0.411 0.000 2.187 384 L HA -0.191 4.164 4.340 0.025 0.000 0.213 384 L C 2.448 179.138 176.870 -0.299 0.000 1.100 384 L CA 0.571 55.151 54.840 -0.434 0.000 0.765 384 L CB -0.390 41.324 42.059 -0.575 0.000 0.904 384 L HN 0.214 nan 8.230 nan 0.000 0.437 385 L N -1.101 119.911 121.223 -0.352 0.000 2.265 385 L HA -0.210 4.145 4.340 0.025 0.000 0.215 385 L C 2.410 179.279 176.870 -0.002 0.000 1.117 385 L CA 0.673 55.404 54.840 -0.183 0.000 0.782 385 L CB -0.890 41.083 42.059 -0.143 0.000 0.914 385 L HN 0.405 nan 8.230 nan 0.000 0.441 386 H N -0.620 118.423 119.070 -0.044 0.000 2.529 386 H HA -0.038 4.533 4.556 0.024 0.000 0.277 386 H C 2.174 177.583 175.328 0.134 0.000 0.999 386 H CA 1.071 57.146 56.048 0.045 0.000 1.256 386 H CB -0.190 29.593 29.762 0.035 0.000 1.402 386 H HN 0.583 nan 8.280 nan 0.000 0.566 387 C N -1.647 117.793 119.300 0.233 0.000 3.230 387 C HA 0.416 4.892 4.460 0.025 0.000 0.300 387 C C 2.118 177.424 174.990 0.526 0.000 1.292 387 C CA -0.482 58.755 59.018 0.364 0.000 1.707 387 C CB -0.746 27.105 27.740 0.186 0.000 2.181 387 C HN 0.272 nan 8.230 nan 0.000 0.655 388 L N 0.485 121.898 121.223 0.316 0.000 2.467 388 L HA 0.208 4.563 4.340 0.025 0.000 0.213 388 L C 2.387 179.342 176.870 0.141 0.000 1.053 388 L CA 0.656 55.661 54.840 0.275 0.000 0.847 388 L CB 0.095 42.209 42.059 0.092 0.000 1.075 388 L HN 0.190 nan 8.230 nan 0.000 0.479 389 V N -0.928 119.042 119.914 0.093 0.000 2.908 389 V HA 0.024 4.159 4.120 0.025 0.000 0.240 389 V C 2.128 178.252 176.094 0.050 0.000 1.117 389 V CA 0.322 62.658 62.300 0.059 0.000 1.133 389 V CB 0.559 32.414 31.823 0.052 0.000 0.857 389 V HN 0.170 nan 8.190 nan 0.000 0.478 390 I N 1.150 121.771 120.570 0.085 0.000 2.194 390 I HA -0.189 3.996 4.170 0.025 0.000 0.246 390 I C -0.513 175.429 176.117 -0.291 0.000 1.093 390 I CA 1.970 63.300 61.300 0.051 0.000 1.355 390 I CB -1.170 36.940 38.000 0.184 0.000 1.046 390 I HN 0.357 nan 8.210 nan 0.000 0.413 391 P HA -0.093 nan 4.420 nan 0.000 0.236 391 P C 0.872 177.828 177.300 -0.574 0.000 1.172 391 P CA 1.142 63.537 63.100 -1.175 0.000 0.759 391 P CB -0.082 31.475 31.700 -0.239 0.000 0.843 392 R N -1.584 118.799 120.500 -0.196 0.000 2.362 392 R HA 0.282 4.638 4.340 0.025 0.000 0.227 392 R C 0.387 176.716 176.300 0.049 0.000 0.905 392 R CA 0.051 56.145 56.100 -0.010 0.000 1.067 392 R CB 0.149 30.468 30.300 0.031 0.000 1.078 392 R HN 0.229 nan 8.270 nan 0.000 0.516 393 L N 0.674 121.931 121.223 0.057 0.000 2.333 393 L HA 0.524 4.879 4.340 0.025 0.000 0.263 393 L C -2.360 174.647 176.870 0.227 0.000 1.014 393 L CA -2.688 52.232 54.840 0.133 0.000 0.820 393 L CB 1.788 43.918 42.059 0.118 0.000 1.352 393 L HN -0.226 nan 8.230 nan 0.000 0.421 394 P HA 0.133 nan 4.420 nan 0.000 0.272 394 P C 0.427 177.838 177.300 0.185 0.000 1.254 394 P CA -0.290 62.899 63.100 0.148 0.000 0.795 394 P CB 0.657 32.413 31.700 0.092 0.000 1.022 395 L N -1.248 120.057 121.223 0.138 0.000 2.446 395 L HA 0.236 4.591 4.340 0.025 0.000 0.219 395 L C 1.012 178.041 176.870 0.266 0.000 1.116 395 L CA 0.470 55.435 54.840 0.209 0.000 0.844 395 L CB -0.294 41.765 42.059 0.001 0.000 0.970 395 L HN 0.327 nan 8.230 nan 0.000 0.457 396 A N 0.295 123.206 122.820 0.151 0.000 2.393 396 A HA 0.710 5.046 4.320 0.025 0.000 0.306 396 A C -2.394 175.250 177.584 0.099 0.000 1.050 396 A CA -1.176 50.940 52.037 0.132 0.000 0.724 396 A CB 0.971 20.034 19.000 0.105 0.000 1.248 396 A HN -0.172 nan 8.150 nan 0.000 0.424 397 P HA 0.356 nan 4.420 nan 0.000 0.286 397 P C 0.678 178.026 177.300 0.080 0.000 1.293 397 P CA 0.041 63.201 63.100 0.101 0.000 0.770 397 P CB 0.360 32.102 31.700 0.070 0.000 1.206 398 G N -0.841 107.984 108.800 0.042 0.000 2.653 398 G HA2 0.135 4.111 3.960 0.025 0.000 0.265 398 G HA3 0.135 4.111 3.960 0.025 0.000 0.265 398 G C 0.861 175.760 174.900 -0.002 0.000 1.237 398 G CA -0.430 44.641 45.100 -0.048 0.000 0.946 398 G HN 0.530 nan 8.290 nan 0.000 0.522 399 L N 0.880 122.095 121.223 -0.013 0.000 1.951 399 L HA -0.168 4.187 4.340 0.025 0.000 0.222 399 L C 3.012 179.919 176.870 0.062 0.000 1.078 399 L CA 3.259 58.138 54.840 0.064 0.000 0.778 399 L CB -1.103 41.042 42.059 0.143 0.000 0.893 399 L HN 0.585 nan 8.230 nan 0.000 0.436 400 A N -0.488 122.375 122.820 0.073 0.000 1.877 400 A HA -0.094 4.241 4.320 0.025 0.000 0.216 400 A C 0.233 177.830 177.584 0.021 0.000 1.186 400 A CA 1.890 53.940 52.037 0.023 0.000 0.620 400 A CB -2.137 16.877 19.000 0.022 0.000 0.822 400 A HN 0.503 nan 8.150 nan 0.000 0.443 401 P HA -0.167 nan 4.420 nan 0.000 0.216 401 P C 1.733 179.047 177.300 0.024 0.000 1.153 401 P CA 2.107 65.215 63.100 0.014 0.000 0.858 401 P CB -0.121 31.584 31.700 0.008 0.000 0.789 402 A N -0.829 122.013 122.820 0.037 0.000 1.898 402 A HA -0.134 4.201 4.320 0.025 0.000 0.216 402 A C 2.313 179.924 177.584 0.044 0.000 1.181 402 A CA 1.695 53.760 52.037 0.048 0.000 0.620 402 A CB -1.642 17.398 19.000 0.067 0.000 0.819 402 A HN 0.028 nan 8.150 nan 0.000 0.442 403 V N -0.072 119.867 119.914 0.041 0.000 2.358 403 V HA -0.229 3.906 4.120 0.025 0.000 0.246 403 V C 3.037 179.148 176.094 0.029 0.000 1.047 403 V CA 1.847 64.169 62.300 0.037 0.000 1.035 403 V CB -1.263 30.580 31.823 0.034 0.000 0.658 403 V HN 0.595 nan 8.190 nan 0.000 0.452 404 A N 0.116 122.949 122.820 0.021 0.000 1.972 404 A HA -0.078 4.257 4.320 0.025 0.000 0.219 404 A C 2.249 179.844 177.584 0.018 0.000 1.169 404 A CA 1.846 53.894 52.037 0.018 0.000 0.635 404 A CB -0.619 18.390 19.000 0.015 0.000 0.810 404 A HN 0.605 nan 8.150 nan 0.000 0.446 405 A N -1.624 121.209 122.820 0.022 0.000 2.235 405 A HA 0.394 4.729 4.320 0.025 0.000 0.208 405 A C 1.745 179.345 177.584 0.027 0.000 1.172 405 A CA 1.183 53.234 52.037 0.023 0.000 0.786 405 A CB -1.071 17.945 19.000 0.026 0.000 0.804 405 A HN 1.925 nan 8.150 nan 0.000 0.479 406 G N -1.037 107.781 108.800 0.029 0.000 2.160 406 G HA2 -0.234 3.741 3.960 0.025 0.000 0.244 406 G HA3 -0.234 3.741 3.960 0.025 0.000 0.244 406 G C 0.500 175.424 174.900 0.039 0.000 1.022 406 G CA 0.414 45.533 45.100 0.032 0.000 0.741 406 G HN 0.532 nan 8.290 nan 0.000 0.508 407 L N -0.304 120.946 121.223 0.045 0.000 2.592 407 L HA 0.331 4.686 4.340 0.025 0.000 0.227 407 L C 1.661 178.568 176.870 0.062 0.000 1.127 407 L CA -0.296 54.577 54.840 0.055 0.000 0.884 407 L CB 0.003 42.098 42.059 0.060 0.000 1.065 407 L HN 0.239 nan 8.230 nan 0.000 0.457 408 L N 1.712 122.969 121.223 0.056 0.000 2.601 408 L HA -0.101 4.255 4.340 0.025 0.000 0.277 408 L C 0.472 177.379 176.870 0.062 0.000 1.219 408 L CA 0.435 55.310 54.840 0.058 0.000 0.915 408 L CB 0.092 42.182 42.059 0.051 0.000 1.160 408 L HN 0.334 nan 8.230 nan 0.000 0.494 409 D N 1.726 122.170 120.400 0.073 0.000 3.079 409 D HA -0.261 4.394 4.640 0.025 0.000 0.214 409 D C 1.071 177.422 176.300 0.085 0.000 1.145 409 D CA 1.015 55.065 54.000 0.083 0.000 0.958 409 D CB -0.894 39.949 40.800 0.071 0.000 1.117 409 D HN 0.534 nan 8.370 nan 0.000 0.416 410 I N 0.910 121.529 120.570 0.081 0.000 2.335 410 I HA -0.219 3.966 4.170 0.025 0.000 0.251 410 I C 1.475 177.642 176.117 0.084 0.000 1.129 410 I CA 1.704 63.049 61.300 0.075 0.000 1.402 410 I CB 0.030 38.071 38.000 0.068 0.000 1.069 410 I HN 0.048 nan 8.210 nan 0.000 0.424 411 N N 0.535 119.298 118.700 0.105 0.000 2.280 411 N HA 0.250 5.005 4.740 0.025 0.000 0.192 411 N C 0.431 176.019 175.510 0.130 0.000 1.109 411 N CA 0.624 53.742 53.050 0.113 0.000 0.855 411 N CB 0.063 38.629 38.487 0.131 0.000 0.974 411 N HN 0.380 nan 8.380 nan 0.000 0.482 419 H N 0.375 119.460 119.070 0.025 0.000 2.551 419 H HA 0.230 4.800 4.556 0.023 0.000 0.266 419 H C 0.494 175.863 175.328 0.068 0.000 0.977 419 H CA 0.745 56.828 56.048 0.058 0.000 1.163 419 H CB 0.046 29.868 29.762 0.099 0.000 1.381 419 H HN 0.627 nan 8.280 nan 0.000 0.581 420 H N -2.430 116.429 119.070 -0.352 0.000 2.990 420 H HA 0.410 4.983 4.556 0.028 0.000 0.336 420 H C -1.057 174.088 175.328 -0.305 0.000 1.306 420 H CA -1.176 54.692 56.048 -0.300 0.000 1.118 420 H CB 0.889 30.449 29.762 -0.337 0.000 1.856 420 H HN 0.102 nan 8.280 nan 0.000 0.538 421 H N 0.000 119.163 119.070 0.156 0.000 2.539 421 H HA 0.000 4.572 4.556 0.027 0.000 0.296 421 H CA 0.000 56.107 56.048 0.098 0.000 1.023 421 H CB 0.000 29.799 29.762 0.062 0.000 1.292 421 H HN 0.000 nan 8.280 nan 0.000 0.496