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 3cb3_1_D DATA FIRST_RESID 10 DATA SEQUENCE SDRITWVRIS SCYLPLXXXX XXXXXXXXXX XPMTEIAILF AEIETAGGHQ DATA SEQUENCE GLGFSYSKRA GGPGQFAHAR EIAPALIGED PSDIAKLWDK LCWAGASAGR DATA SEQUENCE SGLSTQAIGA FDVALWDLKA KRAGLSLAKL LGSYRDSVRC YNTSGGFLHT DATA SEQUENCE PIDQLMVNAS ASIERGIGGI KLKVGQPDGA LDIARVTAVR KHLGDAVPLM DATA SEQUENCE VDANQQWDRP TAQRMCRIFE PFNLVWIEEP LDAYDHEGHA ALALQFDTPI DATA SEQUENCE ATGEMLTSAA EHGDLIRHRA ADYLMPDAPR VGGITPFLKI ASLAEHAGLM DATA SEQUENCE LAPHFAMELH VHLAAAYPRE PWVEHFEWLE PLFNERIEIR DGRMLVPTRP DATA SEQUENCE GLGLTLSGQV KAWTREEAQV GTR 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 10 S HA 0.000 nan 4.470 nan 0.000 0.327 10 S C 0.000 174.610 174.600 0.016 0.000 1.055 10 S CA 0.000 58.203 58.200 0.006 0.000 1.107 10 S CB 0.000 63.197 63.200 -0.005 0.000 0.593 11 D N 1.178 121.590 120.400 0.019 0.000 2.383 11 D HA 0.622 5.262 4.640 0.000 0.000 0.248 11 D C -0.099 176.218 176.300 0.028 0.000 1.170 11 D CA -0.217 53.808 54.000 0.041 0.000 0.977 11 D CB 0.564 41.401 40.800 0.061 0.000 1.120 11 D HN 0.601 nan 8.370 nan 0.000 0.481 12 R N 0.825 121.349 120.500 0.040 0.000 2.604 12 R HA 0.475 4.815 4.340 0.000 0.000 0.270 12 R C -0.825 175.503 176.300 0.046 0.000 1.052 12 R CA -0.823 55.295 56.100 0.030 0.000 0.902 12 R CB 0.397 30.710 30.300 0.022 0.000 1.233 12 R HN 0.284 nan 8.270 nan 0.000 0.455 13 I N 2.719 123.310 120.570 0.036 0.000 2.556 13 I HA 0.041 4.211 4.170 0.000 0.000 0.284 13 I C 1.098 177.255 176.117 0.066 0.000 1.114 13 I CA 0.151 61.483 61.300 0.053 0.000 1.418 13 I CB 1.541 39.552 38.000 0.018 0.000 1.394 13 I HN 0.980 nan 8.210 nan 0.000 0.552 14 T N 1.110 115.733 114.554 0.116 0.000 2.955 14 T HA 0.094 4.444 4.350 0.000 0.000 0.251 14 T C -0.362 174.481 174.700 0.238 0.000 1.002 14 T CA -0.393 61.788 62.100 0.135 0.000 0.970 14 T CB 0.214 69.153 68.868 0.118 0.000 1.091 14 T HN 0.581 nan 8.240 nan 0.000 0.495 15 W N 0.895 122.206 121.300 0.019 0.000 3.274 15 W HA 0.635 5.296 4.660 0.000 0.000 0.327 15 W C -2.451 174.097 176.519 0.048 0.000 1.172 15 W CA -0.903 56.460 57.345 0.030 0.000 1.217 15 W CB 1.857 31.338 29.460 0.035 0.000 1.376 15 W HN -0.021 nan 8.180 nan 0.000 0.507 16 V N 5.934 125.472 119.914 -0.626 0.000 2.808 16 V HA 0.605 4.726 4.120 0.000 0.000 0.308 16 V C -0.825 174.705 176.094 -0.940 0.000 1.099 16 V CA -1.075 60.859 62.300 -0.610 0.000 0.920 16 V CB 1.921 33.594 31.823 -0.251 0.000 1.014 16 V HN 0.542 nan 8.190 nan 0.000 0.425 17 R N 4.369 124.392 120.500 -0.795 0.000 2.628 17 R HA 0.850 5.191 4.340 0.000 0.000 0.288 17 R C -1.416 174.835 176.300 -0.082 0.000 0.980 17 R CA -0.558 55.248 56.100 -0.490 0.000 0.891 17 R CB 1.968 31.948 30.300 -0.532 0.000 1.188 17 R HN 0.853 nan 8.270 nan 0.000 0.450 18 I N 0.052 120.655 120.570 0.055 0.000 2.785 18 I HA 0.725 4.895 4.170 0.000 0.000 0.302 18 I C -1.075 175.254 176.117 0.354 0.000 1.069 18 I CA -0.804 60.602 61.300 0.176 0.000 1.045 18 I CB 2.603 40.664 38.000 0.101 0.000 1.236 18 I HN 0.722 nan 8.210 nan 0.000 0.429 19 S N 2.136 118.082 115.700 0.410 0.000 2.537 19 S HA 0.514 4.984 4.470 0.000 0.000 0.271 19 S C -0.927 173.835 174.600 0.270 0.000 1.148 19 S CA -0.765 57.649 58.200 0.358 0.000 0.868 19 S CB 1.542 64.907 63.200 0.275 0.000 1.115 19 S HN 0.791 nan 8.310 nan 0.000 0.461 20 S N 0.918 116.620 115.700 0.003 0.000 2.438 20 S HA 0.540 5.010 4.470 0.000 0.000 0.316 20 S C -0.467 174.191 174.600 0.097 0.000 1.084 20 S CA -0.549 57.641 58.200 -0.017 0.000 1.107 20 S CB -0.138 62.946 63.200 -0.194 0.000 0.981 20 S HN 1.006 nan 8.310 nan 0.000 0.466 21 C N 7.394 126.736 119.300 0.070 0.000 2.298 21 C HA 0.615 5.075 4.460 0.000 0.000 0.323 21 C C -1.173 173.827 174.990 0.018 0.000 1.284 21 C CA -0.736 58.396 59.018 0.191 0.000 1.577 21 C CB -1.043 26.902 27.740 0.342 0.000 2.249 21 C HN 0.875 nan 8.230 nan 0.000 0.497 22 Y N 6.040 126.369 120.300 0.049 0.000 2.518 22 Y HA 0.427 4.978 4.550 0.000 0.000 0.344 22 Y C 0.319 176.094 175.900 -0.208 0.000 0.982 22 Y CA -0.463 57.601 58.100 -0.060 0.000 1.234 22 Y CB 0.584 39.011 38.460 -0.056 0.000 1.114 22 Y HN 0.656 nan 8.280 nan 0.000 0.515 23 L N 8.148 129.216 121.223 -0.258 0.000 2.385 23 L HA 0.415 4.756 4.340 0.000 0.000 0.281 23 L C -2.420 174.130 176.870 -0.533 0.000 1.106 23 L CA -2.139 52.354 54.840 -0.578 0.000 0.856 23 L CB 0.234 42.032 42.059 -0.435 0.000 1.186 23 L HN 0.272 nan 8.230 nan 0.000 0.453 24 P HA 0.144 nan 4.420 nan 0.000 0.276 24 P C -0.778 176.302 177.300 -0.367 0.000 1.230 24 P CA -0.090 62.758 63.100 -0.420 0.000 0.776 24 P CB 1.147 32.621 31.700 -0.376 0.000 0.888 42 M N 0.681 120.217 119.600 -0.107 0.000 2.574 42 M HA 0.025 4.505 4.480 0.000 0.000 0.349 42 M C 1.194 177.396 176.300 -0.163 0.000 1.735 42 M CA 0.918 56.137 55.300 -0.136 0.000 1.178 42 M CB 0.596 33.091 32.600 -0.176 0.000 2.070 42 M HN 0.191 nan 8.290 nan 0.000 0.460 43 T N 2.517 116.990 114.554 -0.135 0.000 2.990 43 T HA 0.125 4.475 4.350 0.000 0.000 0.250 43 T C 0.046 174.647 174.700 -0.164 0.000 1.041 43 T CA 0.383 62.400 62.100 -0.137 0.000 1.010 43 T CB 0.330 69.142 68.868 -0.094 0.000 1.003 43 T HN 0.818 nan 8.240 nan 0.000 0.499 44 E N 0.028 120.135 120.200 -0.154 0.000 2.423 44 E HA 0.496 4.846 4.350 0.000 0.000 0.280 44 E C -1.624 174.881 176.600 -0.157 0.000 1.030 44 E CA -1.060 55.243 56.400 -0.162 0.000 0.812 44 E CB 1.078 30.740 29.700 -0.063 0.000 1.313 44 E HN 0.209 nan 8.360 nan 0.000 0.456 45 I N 0.885 121.338 120.570 -0.196 0.000 2.433 45 I HA 0.556 4.726 4.170 0.000 0.000 0.292 45 I C -0.448 175.507 176.117 -0.270 0.000 1.001 45 I CA -1.136 60.059 61.300 -0.174 0.000 1.119 45 I CB 1.960 39.875 38.000 -0.140 0.000 1.289 45 I HN 0.689 nan 8.210 nan 0.000 0.438 46 A N 7.337 129.959 122.820 -0.329 0.000 2.269 46 A HA 0.723 5.043 4.320 0.000 0.000 0.302 46 A C -0.595 176.794 177.584 -0.324 0.000 1.266 46 A CA -0.205 51.445 52.037 -0.646 0.000 0.894 46 A CB -0.159 18.430 19.000 -0.684 0.000 1.147 46 A HN 0.547 nan 8.150 nan 0.000 0.537 47 I N 2.445 122.805 120.570 -0.349 0.000 2.441 47 I HA 0.382 4.552 4.170 0.000 0.000 0.295 47 I C -0.351 175.583 176.117 -0.304 0.000 0.994 47 I CA -0.500 60.617 61.300 -0.304 0.000 1.144 47 I CB 1.789 39.470 38.000 -0.531 0.000 1.314 47 I HN 0.545 nan 8.210 nan 0.000 0.445 48 L N 6.865 127.963 121.223 -0.208 0.000 2.280 48 L HA 0.608 4.948 4.340 0.000 0.000 0.287 48 L C -1.412 175.395 176.870 -0.104 0.000 1.023 48 L CA 0.152 54.946 54.840 -0.076 0.000 0.819 48 L CB 0.175 42.232 42.059 -0.004 0.000 1.212 48 L HN 0.243 nan 8.230 nan 0.000 0.420 49 F N 4.026 124.066 119.950 0.151 0.000 2.422 49 F HA 0.778 5.305 4.527 0.000 0.000 0.333 49 F C 0.529 176.374 175.800 0.076 0.000 1.095 49 F CA -0.352 57.746 58.000 0.163 0.000 1.038 49 F CB 1.849 40.950 39.000 0.168 0.000 1.156 49 F HN 0.628 nan 8.300 nan 0.000 0.483 50 A N 2.950 125.942 122.820 0.287 0.000 2.356 50 A HA 0.735 5.055 4.320 0.000 0.000 0.310 50 A C -0.987 176.724 177.584 0.211 0.000 1.075 50 A CA -0.639 51.475 52.037 0.128 0.000 0.746 50 A CB 0.884 19.827 19.000 -0.095 0.000 1.221 50 A HN 0.770 nan 8.150 nan 0.000 0.443 51 E N 1.705 122.000 120.200 0.158 0.000 2.210 51 E HA 0.609 4.959 4.350 0.000 0.000 0.266 51 E C -1.341 175.335 176.600 0.128 0.000 0.883 51 E CA -0.328 56.175 56.400 0.172 0.000 0.761 51 E CB 2.344 32.166 29.700 0.204 0.000 1.156 51 E HN 0.606 nan 8.360 nan 0.000 0.412 52 I N 2.159 122.858 120.570 0.215 0.000 2.545 52 I HA 0.334 4.504 4.170 0.000 0.000 0.292 52 I C -0.368 175.922 176.117 0.288 0.000 1.040 52 I CA -0.626 60.798 61.300 0.206 0.000 1.068 52 I CB 1.962 40.060 38.000 0.164 0.000 1.251 52 I HN 0.398 nan 8.210 nan 0.000 0.424 53 E N 3.364 123.775 120.200 0.351 0.000 2.317 53 E HA 0.508 4.858 4.350 0.000 0.000 0.270 53 E C -0.982 175.747 176.600 0.215 0.000 0.885 53 E CA -0.783 55.796 56.400 0.297 0.000 0.760 53 E CB 2.918 32.821 29.700 0.339 0.000 1.227 53 E HN 0.666 nan 8.360 nan 0.000 0.434 54 T N -2.187 112.464 114.554 0.161 0.000 2.950 54 T HA 0.532 4.882 4.350 0.000 0.000 0.288 54 T C 0.974 175.727 174.700 0.090 0.000 1.035 54 T CA -0.248 61.930 62.100 0.130 0.000 1.028 54 T CB 1.691 70.652 68.868 0.155 0.000 1.109 54 T HN 0.437 nan 8.240 nan 0.000 0.514 55 A N 0.855 123.719 122.820 0.073 0.000 2.024 55 A HA 0.179 4.499 4.320 0.000 0.000 0.220 55 A C 2.180 179.779 177.584 0.026 0.000 1.164 55 A CA 1.572 53.635 52.037 0.043 0.000 0.643 55 A CB -1.397 17.627 19.000 0.039 0.000 0.806 55 A HN 1.179 nan 8.150 nan 0.000 0.451 56 G N -2.037 106.799 108.800 0.059 0.000 3.026 56 G HA2 0.360 4.320 3.960 0.000 0.000 0.208 56 G HA3 0.360 4.320 3.960 0.000 0.000 0.208 56 G C 1.150 175.943 174.900 -0.178 0.000 1.169 56 G CA 0.481 45.595 45.100 0.022 0.000 0.788 56 G HN 1.606 nan 8.290 nan 0.000 0.533 57 G N -0.480 108.245 108.800 -0.125 0.000 2.159 57 G HA2 -0.262 3.699 3.960 0.000 0.000 0.256 57 G HA3 -0.262 3.699 3.960 0.000 0.000 0.256 57 G C 0.331 175.097 174.900 -0.224 0.000 0.977 57 G CA 0.170 45.161 45.100 -0.182 0.000 0.652 57 G HN 0.620 nan 8.290 nan 0.000 0.531 58 H N 0.508 119.595 119.070 0.029 0.000 2.551 58 H HA 0.551 5.108 4.556 0.000 0.000 0.358 58 H C 0.517 175.882 175.328 0.061 0.000 1.151 58 H CA 0.412 56.482 56.048 0.037 0.000 1.374 58 H CB 0.831 30.611 29.762 0.030 0.000 1.473 58 H HN 0.509 nan 8.280 nan 0.000 0.574 59 Q N 0.286 120.199 119.800 0.189 0.000 2.389 59 Q HA 0.586 4.926 4.340 0.000 0.000 0.277 59 Q C -0.516 175.576 176.000 0.154 0.000 1.082 59 Q CA -1.063 54.839 55.803 0.165 0.000 0.810 59 Q CB 3.227 32.044 28.738 0.132 0.000 1.374 59 Q HN 0.823 nan 8.270 nan 0.000 0.422 60 G N 0.777 109.677 108.800 0.166 0.000 2.659 60 G HA2 0.667 4.627 3.960 0.000 0.000 0.296 60 G HA3 0.667 4.627 3.960 0.000 0.000 0.296 60 G C -2.148 172.858 174.900 0.175 0.000 1.369 60 G CA -0.440 44.751 45.100 0.151 0.000 0.937 60 G HN 0.361 nan 8.290 nan 0.000 0.485 61 L N 1.057 122.382 121.223 0.170 0.000 2.386 61 L HA 0.954 5.295 4.340 0.000 0.000 0.271 61 L C 0.163 177.184 176.870 0.252 0.000 0.993 61 L CA -0.133 54.835 54.840 0.214 0.000 0.819 61 L CB 2.079 44.251 42.059 0.188 0.000 1.294 61 L HN 0.966 nan 8.230 nan 0.000 0.414 62 G N 2.747 111.740 108.800 0.321 0.000 2.695 62 G HA2 0.746 4.707 3.960 0.000 0.000 0.290 62 G HA3 0.746 4.707 3.960 0.000 0.000 0.290 62 G C -1.806 173.357 174.900 0.438 0.000 1.410 62 G CA -0.345 44.923 45.100 0.280 0.000 0.844 62 G HN 0.886 nan 8.290 nan 0.000 0.478 63 F N -1.579 118.464 119.950 0.156 0.000 2.741 63 F HA 0.874 5.402 4.527 0.001 0.000 0.311 63 F C -0.657 175.166 175.800 0.039 0.000 1.149 63 F CA -1.144 56.894 58.000 0.063 0.000 0.930 63 F CB 1.564 40.585 39.000 0.034 0.000 1.312 63 F HN 0.744 nan 8.300 nan 0.000 0.450 64 S N 0.450 116.255 115.700 0.175 0.000 2.685 64 S HA 0.883 5.353 4.470 0.000 0.000 0.282 64 S C -1.828 172.946 174.600 0.289 0.000 1.159 64 S CA -0.433 57.858 58.200 0.150 0.000 0.833 64 S CB 1.700 64.902 63.200 0.003 0.000 1.151 64 S HN 1.344 nan 8.310 nan 0.000 0.485 65 Y N -1.099 119.262 120.300 0.102 0.000 2.670 65 Y HA 0.825 5.376 4.550 0.001 0.000 0.334 65 Y C -1.269 174.647 175.900 0.027 0.000 1.185 65 Y CA -0.894 57.238 58.100 0.053 0.000 1.053 65 Y CB 1.056 39.603 38.460 0.145 0.000 1.298 65 Y HN 0.433 nan 8.280 nan 0.000 0.459 66 S N 1.007 116.701 115.700 -0.010 0.000 2.677 66 S HA 0.343 4.814 4.470 0.000 0.000 0.283 66 S C -0.238 174.396 174.600 0.057 0.000 1.159 66 S CA -1.111 57.035 58.200 -0.092 0.000 1.001 66 S CB 1.852 65.001 63.200 -0.086 0.000 1.032 66 S HN 0.749 nan 8.310 nan 0.000 0.487 67 K N 1.059 121.506 120.400 0.078 0.000 2.116 67 K HA 0.136 4.456 4.320 0.000 0.000 0.203 67 K C 1.115 177.708 176.600 -0.012 0.000 1.052 67 K CA 0.701 57.017 56.287 0.047 0.000 0.952 67 K CB 0.160 32.688 32.500 0.047 0.000 0.729 67 K HN 0.344 nan 8.250 nan 0.000 0.446 68 R N 0.281 120.774 120.500 -0.012 0.000 2.884 68 R HA 0.396 4.736 4.340 0.000 0.000 0.199 68 R C -0.080 176.217 176.300 -0.005 0.000 1.508 68 R CA -0.424 55.669 56.100 -0.013 0.000 0.952 68 R CB -0.744 29.548 30.300 -0.013 0.000 2.325 68 R HN 0.038 nan 8.270 nan 0.000 0.514 69 A N -0.401 122.419 122.820 -0.001 0.000 2.483 69 A HA 0.431 4.751 4.320 0.000 0.000 0.238 69 A C 0.923 178.506 177.584 -0.001 0.000 1.070 69 A CA 1.028 53.071 52.037 0.010 0.000 0.770 69 A CB -0.236 18.769 19.000 0.007 0.000 1.008 69 A HN 0.770 nan 8.150 nan 0.000 0.497 70 G N 0.478 109.286 108.800 0.012 0.000 2.901 70 G HA2 -0.010 3.950 3.960 0.000 0.000 0.194 70 G HA3 -0.010 3.950 3.960 0.000 0.000 0.194 70 G C 1.296 176.206 174.900 0.015 0.000 1.020 70 G CA 0.645 45.745 45.100 0.000 0.000 0.787 70 G HN 1.669 nan 8.290 nan 0.000 0.477 71 G N 1.953 110.762 108.800 0.015 0.000 2.514 71 G HA2 -0.027 3.933 3.960 0.000 0.000 0.217 71 G HA3 -0.027 3.933 3.960 0.000 0.000 0.217 71 G C 0.125 175.094 174.900 0.115 0.000 1.198 71 G CA 2.150 47.255 45.100 0.007 0.000 0.780 71 G HN 0.513 nan 8.290 nan 0.000 0.565 72 P HA -0.002 nan 4.420 nan 0.000 0.218 72 P C 2.086 179.501 177.300 0.191 0.000 1.149 72 P CA 1.628 64.847 63.100 0.199 0.000 0.817 72 P CB -0.371 31.420 31.700 0.152 0.000 0.785 73 G N -0.123 108.749 108.800 0.120 0.000 2.404 73 G HA2 -0.260 3.701 3.960 0.000 0.000 0.215 73 G HA3 -0.260 3.701 3.960 0.000 0.000 0.215 73 G C 1.527 176.487 174.900 0.101 0.000 1.174 73 G CA 0.555 45.708 45.100 0.089 0.000 0.780 73 G HN 0.277 nan 8.290 nan 0.000 0.537 74 Q N -0.770 119.082 119.800 0.086 0.000 2.061 74 Q HA -0.126 4.214 4.340 0.000 0.000 0.204 74 Q C 2.257 178.324 176.000 0.113 0.000 0.984 74 Q CA 1.425 57.273 55.803 0.076 0.000 0.846 74 Q CB -0.320 28.440 28.738 0.036 0.000 0.902 74 Q HN 0.504 nan 8.270 nan 0.000 0.421 75 F N 1.153 121.124 119.950 0.035 0.000 2.075 75 F HA -0.202 4.325 4.527 0.001 0.000 0.297 75 F C 2.217 178.057 175.800 0.066 0.000 1.113 75 F CA 1.439 59.465 58.000 0.044 0.000 1.218 75 F CB -0.485 38.552 39.000 0.062 0.000 0.984 75 F HN 0.013 nan 8.300 nan 0.000 0.472 76 A N -0.862 122.013 122.820 0.091 0.000 1.908 76 A HA -0.301 4.019 4.320 0.000 0.000 0.218 76 A C 2.047 179.601 177.584 -0.051 0.000 1.181 76 A CA 2.166 54.205 52.037 0.003 0.000 0.627 76 A CB -1.385 17.689 19.000 0.124 0.000 0.818 76 A HN 0.671 nan 8.150 nan 0.000 0.445 77 H N -0.362 118.664 119.070 -0.074 0.000 2.363 77 H HA 0.159 4.715 4.556 0.000 0.000 0.301 77 H C 2.205 177.490 175.328 -0.071 0.000 1.074 77 H CA 1.590 57.601 56.048 -0.061 0.000 1.354 77 H CB -0.262 29.477 29.762 -0.038 0.000 1.397 77 H HN 0.384 nan 8.280 nan 0.000 0.516 78 A N 0.795 123.565 122.820 -0.084 0.000 1.908 78 A HA -0.199 4.121 4.320 0.000 0.000 0.218 78 A C 2.419 179.937 177.584 -0.110 0.000 1.181 78 A CA 1.736 53.740 52.037 -0.055 0.000 0.627 78 A CB -0.658 18.244 19.000 -0.162 0.000 0.818 78 A HN 0.489 nan 8.150 nan 0.000 0.445 79 R N -0.380 119.909 120.500 -0.352 0.000 2.092 79 R HA -0.150 4.190 4.340 0.000 0.000 0.231 79 R C 2.152 178.330 176.300 -0.203 0.000 1.119 79 R CA 1.688 57.583 56.100 -0.342 0.000 0.970 79 R CB -0.210 29.771 30.300 -0.532 0.000 0.864 79 R HN 0.735 nan 8.270 nan 0.000 0.440 80 E N 0.641 120.714 120.200 -0.211 0.000 2.158 80 E HA -0.126 4.225 4.350 0.000 0.000 0.191 80 E C 1.814 178.290 176.600 -0.207 0.000 0.982 80 E CA 1.172 57.464 56.400 -0.181 0.000 0.823 80 E CB 0.003 29.605 29.700 -0.164 0.000 0.766 80 E HN 0.626 nan 8.360 nan 0.000 0.468 81 I N -3.292 117.116 120.570 -0.271 0.000 3.783 81 I HA 0.338 4.508 4.170 0.000 0.000 0.310 81 I C 2.155 178.114 176.117 -0.264 0.000 1.274 81 I CA 0.415 61.561 61.300 -0.257 0.000 1.294 81 I CB 0.162 37.974 38.000 -0.314 0.000 1.051 81 I HN -0.029 nan 8.210 nan 0.000 0.435 82 A N 2.753 125.428 122.820 -0.241 0.000 1.917 82 A HA -0.081 4.239 4.320 0.000 0.000 0.219 82 A C 0.211 177.609 177.584 -0.310 0.000 1.182 82 A CA 1.906 53.720 52.037 -0.370 0.000 0.633 82 A CB -1.992 16.924 19.000 -0.141 0.000 0.819 82 A HN 0.398 nan 8.150 nan 0.000 0.448 83 P HA -0.111 nan 4.420 nan 0.000 0.219 83 P C 1.435 178.651 177.300 -0.141 0.000 1.146 83 P CA 1.571 64.585 63.100 -0.144 0.000 0.808 83 P CB -0.088 31.552 31.700 -0.101 0.000 0.779 84 A N -1.082 121.638 122.820 -0.166 0.000 2.172 84 A HA -0.099 4.222 4.320 0.000 0.000 0.216 84 A C 1.964 179.461 177.584 -0.144 0.000 1.154 84 A CA 1.036 52.993 52.037 -0.134 0.000 0.701 84 A CB -1.357 17.568 19.000 -0.126 0.000 0.789 84 A HN 0.183 nan 8.150 nan 0.000 0.465 85 L N -0.059 121.041 121.223 -0.206 0.000 2.270 85 L HA 0.073 4.414 4.340 0.000 0.000 0.210 85 L C 0.149 176.954 176.870 -0.110 0.000 1.104 85 L CA -0.246 54.482 54.840 -0.187 0.000 0.804 85 L CB -0.279 41.601 42.059 -0.297 0.000 0.937 85 L HN 0.208 nan 8.230 nan 0.000 0.450 86 I N 1.509 122.022 120.570 -0.095 0.000 2.668 86 I HA 0.001 4.171 4.170 0.000 0.000 0.285 86 I C 1.470 177.571 176.117 -0.027 0.000 1.168 86 I CA 1.182 62.455 61.300 -0.045 0.000 1.424 86 I CB -0.365 37.615 38.000 -0.033 0.000 1.377 86 I HN 0.414 nan 8.210 nan 0.000 0.560 87 G N 5.100 113.895 108.800 -0.008 0.000 2.175 87 G HA2 -0.186 3.775 3.960 0.000 0.000 0.244 87 G HA3 -0.186 3.775 3.960 0.000 0.000 0.244 87 G C 0.283 175.178 174.900 -0.009 0.000 0.982 87 G CA -0.356 44.742 45.100 -0.004 0.000 0.641 87 G HN 0.557 nan 8.290 nan 0.000 0.527 88 E N 0.900 121.090 120.200 -0.018 0.000 2.319 88 E HA 0.348 4.698 4.350 0.000 0.000 0.268 88 E C -0.536 176.056 176.600 -0.014 0.000 1.050 88 E CA -0.631 55.758 56.400 -0.019 0.000 0.878 88 E CB 1.035 30.716 29.700 -0.031 0.000 1.066 88 E HN 0.228 nan 8.360 nan 0.000 0.406 89 D N 3.221 123.612 120.400 -0.015 0.000 2.338 89 D HA 0.039 4.679 4.640 0.000 0.000 0.255 89 D C -1.438 174.842 176.300 -0.034 0.000 1.237 89 D CA -1.892 52.096 54.000 -0.020 0.000 0.883 89 D CB 0.948 41.735 40.800 -0.022 0.000 1.087 89 D HN 0.050 nan 8.370 nan 0.000 0.485 90 P HA -0.127 nan 4.420 nan 0.000 0.220 90 P C 1.026 178.263 177.300 -0.105 0.000 1.144 90 P CA 0.649 63.718 63.100 -0.052 0.000 0.800 90 P CB 0.415 32.099 31.700 -0.028 0.000 0.772 91 S N -0.368 115.267 115.700 -0.109 0.000 2.489 91 S HA -0.030 4.441 4.470 0.000 0.000 0.228 91 S C 0.735 175.241 174.600 -0.156 0.000 0.995 91 S CA 0.688 58.796 58.200 -0.152 0.000 0.934 91 S CB -0.522 62.605 63.200 -0.121 0.000 0.771 91 S HN 0.215 nan 8.310 nan 0.000 0.522 92 D N 1.682 122.021 120.400 -0.102 0.000 2.741 92 D HA 0.269 4.909 4.640 0.000 0.000 0.233 92 D C 1.077 177.337 176.300 -0.066 0.000 1.160 92 D CA -0.068 53.888 54.000 -0.072 0.000 1.003 92 D CB -0.124 40.658 40.800 -0.029 0.000 1.064 92 D HN 0.317 nan 8.370 nan 0.000 0.503 93 I N 0.663 121.144 120.570 -0.148 0.000 2.127 93 I HA -0.311 3.860 4.170 0.000 0.000 0.241 93 I C 2.455 178.605 176.117 0.056 0.000 1.075 93 I CA 1.119 62.347 61.300 -0.120 0.000 1.334 93 I CB -0.272 37.480 38.000 -0.414 0.000 1.040 93 I HN 0.165 nan 8.210 nan 0.000 0.405 94 A N 0.833 123.688 122.820 0.058 0.000 1.908 94 A HA -0.271 4.050 4.320 0.000 0.000 0.218 94 A C 2.433 180.131 177.584 0.190 0.000 1.181 94 A CA 2.049 54.167 52.037 0.135 0.000 0.627 94 A CB -0.627 18.419 19.000 0.077 0.000 0.818 94 A HN 0.403 nan 8.150 nan 0.000 0.445 95 K N -0.295 120.178 120.400 0.122 0.000 2.063 95 K HA -0.113 4.207 4.320 0.000 0.000 0.208 95 K C 1.860 178.552 176.600 0.155 0.000 1.048 95 K CA 1.573 57.937 56.287 0.129 0.000 0.928 95 K CB -0.309 32.233 32.500 0.070 0.000 0.713 95 K HN 0.507 nan 8.250 nan 0.000 0.442 96 L N -0.752 120.548 121.223 0.127 0.000 2.093 96 L HA -0.152 4.188 4.340 0.000 0.000 0.208 96 L C 2.322 179.289 176.870 0.163 0.000 1.085 96 L CA 1.023 55.925 54.840 0.103 0.000 0.755 96 L CB -0.506 41.582 42.059 0.047 0.000 0.904 96 L HN 0.397 nan 8.230 nan 0.000 0.435 97 W N 1.762 123.097 121.300 0.057 0.000 2.335 97 W HA -0.260 4.400 4.660 0.000 0.000 0.311 97 W C 2.277 178.836 176.519 0.067 0.000 1.213 97 W CA 1.920 59.313 57.345 0.079 0.000 1.274 97 W CB -0.027 29.492 29.460 0.097 0.000 1.148 97 W HN 0.158 nan 8.180 nan 0.000 0.498 98 D N -0.178 120.498 120.400 0.460 0.000 2.117 98 D HA -0.224 4.416 4.640 0.000 0.000 0.197 98 D C 1.950 178.404 176.300 0.256 0.000 0.987 98 D CA 1.672 55.877 54.000 0.341 0.000 0.829 98 D CB -0.567 40.457 40.800 0.373 0.000 0.961 98 D HN 0.242 nan 8.370 nan 0.000 0.460 99 K N 0.610 121.150 120.400 0.234 0.000 2.026 99 K HA -0.086 4.234 4.320 0.000 0.000 0.208 99 K C 2.248 178.915 176.600 0.112 0.000 1.048 99 K CA 0.722 57.135 56.287 0.210 0.000 0.929 99 K CB -0.123 32.438 32.500 0.103 0.000 0.713 99 K HN 0.103 nan 8.250 nan 0.000 0.439 100 L N 0.522 121.734 121.223 -0.017 0.000 2.131 100 L HA -0.222 4.118 4.340 0.000 0.000 0.210 100 L C 2.791 179.587 176.870 -0.123 0.000 1.092 100 L CA 0.775 55.554 54.840 -0.100 0.000 0.759 100 L CB -0.517 41.441 42.059 -0.168 0.000 0.903 100 L HN 0.465 nan 8.230 nan 0.000 0.435 101 C N -0.389 118.773 119.300 -0.229 0.000 2.432 101 C HA -0.192 4.269 4.460 0.000 0.000 0.277 101 C C 2.597 177.470 174.990 -0.195 0.000 1.249 101 C CA 0.371 59.195 59.018 -0.324 0.000 1.725 101 C CB -0.983 26.465 27.740 -0.486 0.000 2.028 101 C HN 0.634 nan 8.230 nan 0.000 0.477 102 W N 0.615 121.895 121.300 -0.034 0.000 2.374 102 W HA -0.048 4.612 4.660 0.000 0.000 0.288 102 W C 2.556 179.064 176.519 -0.017 0.000 1.218 102 W CA 1.007 58.346 57.345 -0.010 0.000 1.245 102 W CB -0.421 29.039 29.460 0.000 0.000 1.126 102 W HN 0.366 nan 8.180 nan 0.000 0.545 103 A N -0.066 122.861 122.820 0.179 0.000 2.024 103 A HA -0.031 4.289 4.320 0.000 0.000 0.220 103 A C 1.769 179.398 177.584 0.076 0.000 1.164 103 A CA 1.653 53.739 52.037 0.082 0.000 0.643 103 A CB -0.967 18.027 19.000 -0.010 0.000 0.806 103 A HN 0.234 nan 8.150 nan 0.000 0.451 104 G N -1.989 106.865 108.800 0.090 0.000 4.959 104 G HA2 0.468 4.428 3.960 0.000 0.000 0.297 104 G HA3 0.468 4.428 3.960 0.000 0.000 0.297 104 G C 0.819 175.750 174.900 0.052 0.000 1.351 104 G CA 0.691 45.867 45.100 0.126 0.000 1.016 104 G HN 0.528 nan 8.290 nan 0.000 0.592 105 A N 0.998 123.867 122.820 0.083 0.000 1.917 105 A HA -0.125 4.195 4.320 0.000 0.000 0.219 105 A C 2.592 180.181 177.584 0.009 0.000 1.182 105 A CA 2.535 54.604 52.037 0.053 0.000 0.633 105 A CB -0.347 18.810 19.000 0.261 0.000 0.819 105 A HN 1.131 nan 8.150 nan 0.000 0.448 106 S N -0.961 114.759 115.700 0.033 0.000 2.603 106 S HA 0.407 4.878 4.470 0.000 0.000 0.220 106 S C 1.555 176.144 174.600 -0.020 0.000 0.967 106 S CA 0.755 58.963 58.200 0.013 0.000 0.920 106 S CB -0.135 63.080 63.200 0.026 0.000 0.773 106 S HN 0.841 nan 8.310 nan 0.000 0.529 107 A N 1.042 123.838 122.820 -0.039 0.000 2.208 107 A HA 0.590 4.910 4.320 0.000 0.000 0.209 107 A C 1.371 178.890 177.584 -0.109 0.000 1.161 107 A CA 0.385 52.367 52.037 -0.092 0.000 0.782 107 A CB -0.989 17.921 19.000 -0.151 0.000 0.816 107 A HN 1.568 nan 8.150 nan 0.000 0.477 108 G N -1.015 107.728 108.800 -0.094 0.000 2.712 108 G HA2 -0.098 3.863 3.960 0.000 0.000 0.683 108 G HA3 -0.098 3.863 3.960 0.000 0.000 0.683 108 G C -0.170 174.670 174.900 -0.099 0.000 1.320 108 G CA -0.412 44.637 45.100 -0.086 0.000 0.847 108 G HN 0.274 nan 8.290 nan 0.000 0.553 109 R N 0.210 120.680 120.500 -0.049 0.000 2.609 109 R HA 0.422 4.762 4.340 0.000 0.000 0.326 109 R C 0.762 177.115 176.300 0.088 0.000 1.090 109 R CA 0.640 56.749 56.100 0.015 0.000 1.072 109 R CB -0.167 30.171 30.300 0.062 0.000 1.330 109 R HN 1.386 nan 8.270 nan 0.000 0.572 110 S N -2.560 113.158 115.700 0.031 0.000 2.636 110 S HA 0.738 5.208 4.470 0.000 0.000 0.268 110 S C 0.223 174.825 174.600 0.003 0.000 1.159 110 S CA -0.233 58.001 58.200 0.057 0.000 0.815 110 S CB 2.221 65.461 63.200 0.067 0.000 1.130 110 S HN 0.366 nan 8.310 nan 0.000 0.471 111 G N 0.490 109.300 108.800 0.016 0.000 2.542 111 G HA2 -0.185 3.775 3.960 0.000 0.000 0.235 111 G HA3 -0.185 3.775 3.960 0.000 0.000 0.235 111 G C 0.460 175.332 174.900 -0.046 0.000 1.286 111 G CA -0.078 45.011 45.100 -0.019 0.000 0.904 111 G HN 1.330 nan 8.290 nan 0.000 0.577 112 L N 1.256 122.433 121.223 -0.076 0.000 2.081 112 L HA -0.147 4.193 4.340 0.000 0.000 0.212 112 L C 3.398 180.188 176.870 -0.134 0.000 1.080 112 L CA 2.820 57.605 54.840 -0.092 0.000 0.754 112 L CB -0.816 41.186 42.059 -0.095 0.000 0.893 112 L HN 0.865 nan 8.230 nan 0.000 0.433 113 S N -0.812 114.740 115.700 -0.248 0.000 2.356 113 S HA -0.191 4.280 4.470 0.000 0.000 0.223 113 S C 2.006 176.542 174.600 -0.107 0.000 1.032 113 S CA 1.579 59.561 58.200 -0.363 0.000 1.005 113 S CB -1.047 61.851 63.200 -0.504 0.000 0.867 113 S HN 0.572 nan 8.310 nan 0.000 0.449 114 T N -0.260 114.233 114.554 -0.102 0.000 3.023 114 T HA 0.050 4.400 4.350 0.000 0.000 0.266 114 T C 1.891 176.607 174.700 0.027 0.000 1.093 114 T CA 0.887 62.943 62.100 -0.074 0.000 1.129 114 T CB -0.495 68.404 68.868 0.052 0.000 0.899 114 T HN 0.510 nan 8.240 nan 0.000 0.491 115 Q N 0.930 120.740 119.800 0.016 0.000 2.119 115 Q HA 0.156 4.496 4.340 0.000 0.000 0.201 115 Q C 2.768 178.766 176.000 -0.004 0.000 0.972 115 Q CA 1.271 57.083 55.803 0.016 0.000 0.847 115 Q CB -0.379 28.341 28.738 -0.029 0.000 0.903 115 Q HN 0.710 nan 8.270 nan 0.000 0.433 116 A N 0.949 123.770 122.820 0.001 0.000 1.898 116 A HA -0.154 4.166 4.320 0.000 0.000 0.216 116 A C 2.019 179.584 177.584 -0.031 0.000 1.181 116 A CA 0.989 53.017 52.037 -0.015 0.000 0.620 116 A CB -0.576 18.488 19.000 0.105 0.000 0.819 116 A HN 0.295 nan 8.150 nan 0.000 0.442 117 I N -0.192 120.408 120.570 0.049 0.000 2.264 117 I HA -0.232 3.938 4.170 0.000 0.000 0.248 117 I C 2.682 178.878 176.117 0.130 0.000 1.111 117 I CA 1.083 62.431 61.300 0.081 0.000 1.382 117 I CB -0.672 37.161 38.000 -0.277 0.000 1.060 117 I HN 0.419 nan 8.210 nan 0.000 0.418 118 G N 0.705 109.575 108.800 0.116 0.000 2.469 118 G HA2 -0.306 3.654 3.960 0.000 0.000 0.219 118 G HA3 -0.306 3.654 3.960 0.000 0.000 0.219 118 G C 1.866 176.805 174.900 0.066 0.000 1.150 118 G CA 0.933 46.133 45.100 0.166 0.000 0.763 118 G HN 0.508 nan 8.290 nan 0.000 0.561 119 A N 0.455 123.230 122.820 -0.074 0.000 1.908 119 A HA 0.062 4.382 4.320 0.000 0.000 0.218 119 A C 2.164 179.710 177.584 -0.064 0.000 1.181 119 A CA 1.667 53.621 52.037 -0.139 0.000 0.627 119 A CB -0.544 18.287 19.000 -0.281 0.000 0.818 119 A HN 0.295 nan 8.150 nan 0.000 0.445 120 F N -0.045 119.956 119.950 0.085 0.000 2.146 120 F HA -0.077 4.450 4.527 0.000 0.000 0.298 120 F C 2.057 177.929 175.800 0.121 0.000 1.096 120 F CA 1.302 59.349 58.000 0.079 0.000 1.275 120 F CB -0.917 38.102 39.000 0.032 0.000 1.008 120 F HN 0.375 nan 8.300 nan 0.000 0.480 121 D N 0.227 120.848 120.400 0.368 0.000 2.123 121 D HA -0.154 4.486 4.640 0.000 0.000 0.196 121 D C 2.151 178.681 176.300 0.383 0.000 0.992 121 D CA 1.204 55.440 54.000 0.393 0.000 0.833 121 D CB -0.041 41.069 40.800 0.516 0.000 0.954 121 D HN 0.041 nan 8.370 nan 0.000 0.455 122 V N 0.568 120.633 119.914 0.252 0.000 2.427 122 V HA -0.183 3.937 4.120 0.000 0.000 0.248 122 V C 2.528 178.742 176.094 0.199 0.000 1.051 122 V CA 1.638 64.042 62.300 0.174 0.000 1.048 122 V CB -0.849 30.949 31.823 -0.042 0.000 0.666 122 V HN 0.361 nan 8.190 nan 0.000 0.456 123 A N -0.081 122.856 122.820 0.196 0.000 1.902 123 A HA -0.171 4.149 4.320 0.000 0.000 0.217 123 A C 2.198 179.883 177.584 0.168 0.000 1.181 123 A CA 1.819 53.971 52.037 0.193 0.000 0.623 123 A CB -0.548 18.585 19.000 0.222 0.000 0.818 123 A HN 0.511 nan 8.150 nan 0.000 0.443 124 L N -2.905 118.411 121.223 0.156 0.000 2.131 124 L HA -0.199 4.142 4.340 0.000 0.000 0.210 124 L C 2.538 179.398 176.870 -0.017 0.000 1.092 124 L CA 1.128 55.993 54.840 0.041 0.000 0.759 124 L CB -0.435 41.610 42.059 -0.024 0.000 0.903 124 L HN 0.601 nan 8.230 nan 0.000 0.435 125 W N 0.450 121.771 121.300 0.035 0.000 2.418 125 W HA -0.168 4.492 4.660 0.000 0.000 0.292 125 W C 2.389 178.894 176.519 -0.022 0.000 1.213 125 W CA 1.158 58.503 57.345 0.000 0.000 1.283 125 W CB -0.183 29.267 29.460 -0.016 0.000 1.119 125 W HN 0.197 nan 8.180 nan 0.000 0.542 126 D N 0.334 120.861 120.400 0.212 0.000 2.104 126 D HA -0.229 4.411 4.640 0.000 0.000 0.194 126 D C 2.081 178.431 176.300 0.083 0.000 0.994 126 D CA 1.486 55.550 54.000 0.106 0.000 0.830 126 D CB -0.404 40.453 40.800 0.095 0.000 0.959 126 D HN 0.114 nan 8.370 nan 0.000 0.452 127 L N 0.108 121.380 121.223 0.081 0.000 2.042 127 L HA -0.174 4.167 4.340 0.000 0.000 0.210 127 L C 2.381 179.247 176.870 -0.007 0.000 1.076 127 L CA 1.583 56.455 54.840 0.054 0.000 0.749 127 L CB -0.326 41.766 42.059 0.056 0.000 0.893 127 L HN 0.019 nan 8.230 nan 0.000 0.432 128 K N -0.410 119.969 120.400 -0.036 0.000 2.097 128 K HA -0.162 4.159 4.320 0.000 0.000 0.205 128 K C 1.963 178.554 176.600 -0.014 0.000 1.050 128 K CA 1.176 57.416 56.287 -0.079 0.000 0.938 128 K CB -0.133 32.273 32.500 -0.155 0.000 0.718 128 K HN 0.445 nan 8.250 nan 0.000 0.442 129 A N 1.524 124.374 122.820 0.050 0.000 1.898 129 A HA -0.156 4.164 4.320 0.000 0.000 0.216 129 A C 1.893 179.494 177.584 0.028 0.000 1.181 129 A CA 1.594 53.662 52.037 0.052 0.000 0.620 129 A CB -0.343 18.688 19.000 0.051 0.000 0.819 129 A HN 0.300 nan 8.150 nan 0.000 0.442 130 K N -0.776 119.643 120.400 0.031 0.000 2.097 130 K HA -0.145 4.176 4.320 0.000 0.000 0.206 130 K C 2.320 178.950 176.600 0.050 0.000 1.049 130 K CA 1.354 57.669 56.287 0.046 0.000 0.933 130 K CB -0.174 32.367 32.500 0.069 0.000 0.717 130 K HN 0.464 nan 8.250 nan 0.000 0.442 131 R N 0.730 121.231 120.500 0.001 0.000 2.120 131 R HA -0.105 4.235 4.340 0.000 0.000 0.234 131 R C 1.663 177.954 176.300 -0.014 0.000 1.123 131 R CA 1.469 57.532 56.100 -0.061 0.000 0.975 131 R CB -0.073 30.072 30.300 -0.259 0.000 0.866 131 R HN 0.157 nan 8.270 nan 0.000 0.446 132 A N -0.311 122.505 122.820 -0.006 0.000 2.275 132 A HA 0.237 4.558 4.320 0.000 0.000 0.212 132 A C 1.109 178.706 177.584 0.021 0.000 1.201 132 A CA 0.534 52.575 52.037 0.007 0.000 0.843 132 A CB -0.013 18.993 19.000 0.009 0.000 0.873 132 A HN 0.514 nan 8.150 nan 0.000 0.492 133 G N -0.625 108.192 108.800 0.029 0.000 2.273 133 G HA2 -0.222 3.738 3.960 0.000 0.000 0.280 133 G HA3 -0.222 3.738 3.960 0.000 0.000 0.280 133 G C -0.120 174.797 174.900 0.027 0.000 1.047 133 G CA 0.838 45.956 45.100 0.031 0.000 0.869 133 G HN 0.527 nan 8.290 nan 0.000 0.502 134 L N -0.096 121.143 121.223 0.027 0.000 2.371 134 L HA 0.675 5.015 4.340 0.000 0.000 0.262 134 L C 1.038 177.922 176.870 0.023 0.000 1.006 134 L CA -0.698 54.158 54.840 0.028 0.000 0.818 134 L CB 2.071 44.148 42.059 0.030 0.000 1.354 134 L HN 0.332 nan 8.230 nan 0.000 0.415 135 S N 0.424 116.144 115.700 0.032 0.000 2.589 135 S HA 0.120 4.590 4.470 0.000 0.000 0.265 135 S C 0.779 175.362 174.600 -0.028 0.000 1.342 135 S CA -0.530 57.684 58.200 0.022 0.000 1.005 135 S CB 0.946 64.219 63.200 0.123 0.000 0.909 135 S HN 0.588 nan 8.310 nan 0.000 0.555 136 L N 1.686 122.782 121.223 -0.210 0.000 2.083 136 L HA 0.049 4.390 4.340 0.000 0.000 0.209 136 L C 2.573 179.427 176.870 -0.027 0.000 1.083 136 L CA 2.317 57.047 54.840 -0.184 0.000 0.752 136 L CB -1.650 40.148 42.059 -0.435 0.000 0.899 136 L HN 0.936 nan 8.230 nan 0.000 0.433 137 A N -0.621 122.275 122.820 0.126 0.000 1.908 137 A HA -0.202 4.119 4.320 0.000 0.000 0.218 137 A C 2.243 179.874 177.584 0.079 0.000 1.181 137 A CA 1.835 53.965 52.037 0.155 0.000 0.627 137 A CB -0.490 18.642 19.000 0.220 0.000 0.818 137 A HN 0.411 nan 8.150 nan 0.000 0.445 138 K N -0.799 119.642 120.400 0.068 0.000 2.155 138 K HA 0.001 4.321 4.320 0.000 0.000 0.203 138 K C 1.867 178.489 176.600 0.036 0.000 1.052 138 K CA 0.905 57.215 56.287 0.038 0.000 0.948 138 K CB -0.698 31.823 32.500 0.035 0.000 0.728 138 K HN 0.458 nan 8.250 nan 0.000 0.448 139 L N 1.374 122.627 121.223 0.051 0.000 2.017 139 L HA -0.119 4.221 4.340 0.000 0.000 0.208 139 L C 2.007 178.929 176.870 0.087 0.000 1.073 139 L CA 1.553 56.439 54.840 0.077 0.000 0.745 139 L CB -0.535 41.596 42.059 0.120 0.000 0.894 139 L HN 0.038 nan 8.230 nan 0.000 0.432 140 L N -0.251 121.013 121.223 0.068 0.000 2.201 140 L HA 0.154 4.495 4.340 0.000 0.000 0.212 140 L C 0.898 177.788 176.870 0.034 0.000 1.105 140 L CA 0.499 55.370 54.840 0.051 0.000 0.775 140 L CB -0.990 41.067 42.059 -0.004 0.000 0.913 140 L HN 0.553 nan 8.230 nan 0.000 0.440 141 G N -0.161 108.647 108.800 0.013 0.000 3.434 141 G HA2 -0.125 3.835 3.960 0.000 0.000 0.686 141 G HA3 -0.125 3.835 3.960 0.000 0.000 0.686 141 G C -0.558 174.304 174.900 -0.063 0.000 1.099 141 G CA -0.620 44.452 45.100 -0.046 0.000 0.931 141 G HN 0.009 nan 8.290 nan 0.000 0.520 142 S N 0.645 116.294 115.700 -0.085 0.000 2.690 142 S HA 0.747 5.217 4.470 0.000 0.000 0.291 142 S C 0.273 174.776 174.600 -0.162 0.000 1.138 142 S CA -0.335 57.843 58.200 -0.037 0.000 1.013 142 S CB 1.554 64.763 63.200 0.016 0.000 1.053 142 S HN 0.583 nan 8.310 nan 0.000 0.539 143 Y N 0.560 120.870 120.300 0.017 0.000 2.430 143 Y HA 0.291 4.841 4.550 0.000 0.000 0.254 143 Y C 0.937 176.839 175.900 0.003 0.000 1.088 143 Y CA -0.288 57.815 58.100 0.005 0.000 1.267 143 Y CB 0.632 39.093 38.460 0.001 0.000 1.204 143 Y HN 0.551 nan 8.280 nan 0.000 0.515 144 R N -1.472 119.113 120.500 0.141 0.000 2.710 144 R HA 0.331 4.671 4.340 0.000 0.000 0.270 144 R C -1.132 175.193 176.300 0.041 0.000 1.021 144 R CA -0.617 55.528 56.100 0.075 0.000 0.889 144 R CB 0.944 31.284 30.300 0.065 0.000 1.243 144 R HN -0.193 nan 8.270 nan 0.000 0.464 145 D N 0.462 120.873 120.400 0.018 0.000 2.360 145 D HA 0.052 4.693 4.640 0.000 0.000 0.210 145 D C -0.043 176.251 176.300 -0.010 0.000 1.047 145 D CA 0.806 54.809 54.000 0.005 0.000 0.854 145 D CB 0.679 41.480 40.800 0.001 0.000 0.936 145 D HN 0.570 nan 8.370 nan 0.000 0.514 146 S N -0.645 115.046 115.700 -0.014 0.000 2.556 146 S HA 0.617 5.088 4.470 0.000 0.000 0.271 146 S C -0.864 173.714 174.600 -0.037 0.000 1.135 146 S CA -0.790 57.392 58.200 -0.030 0.000 0.858 146 S CB 2.440 65.620 63.200 -0.033 0.000 1.114 146 S HN -0.189 nan 8.310 nan 0.000 0.468 147 V N 2.044 121.931 119.914 -0.045 0.000 2.680 147 V HA 0.555 4.676 4.120 0.000 0.000 0.309 147 V C 0.231 176.263 176.094 -0.103 0.000 1.052 147 V CA -1.071 61.194 62.300 -0.059 0.000 0.908 147 V CB 1.782 33.597 31.823 -0.013 0.000 1.001 147 V HN 0.943 nan 8.190 nan 0.000 0.431 148 R N 1.931 122.288 120.500 -0.237 0.000 2.570 148 R HA 0.362 4.703 4.340 0.000 0.000 0.277 148 R C -0.118 176.141 176.300 -0.068 0.000 1.039 148 R CA -0.041 55.821 56.100 -0.396 0.000 1.065 148 R CB 0.230 29.825 30.300 -1.175 0.000 0.964 148 R HN 0.954 nan 8.270 nan 0.000 0.428 149 C N 1.821 121.191 119.300 0.116 0.000 2.971 149 C HA 0.889 5.349 4.460 0.000 0.000 0.310 149 C C -0.886 174.361 174.990 0.429 0.000 1.285 149 C CA -1.175 58.005 59.018 0.270 0.000 1.593 149 C CB 1.011 28.796 27.740 0.074 0.000 2.076 149 C HN 0.957 nan 8.230 nan 0.000 0.472 150 Y N 0.162 120.547 120.300 0.143 0.000 2.705 150 Y HA 0.883 5.433 4.550 0.001 0.000 0.332 150 Y C -0.886 174.929 175.900 -0.142 0.000 1.221 150 Y CA -0.657 57.430 58.100 -0.022 0.000 1.059 150 Y CB 0.997 39.350 38.460 -0.179 0.000 1.298 150 Y HN 1.028 nan 8.280 nan 0.000 0.459 151 N N -1.859 116.754 118.700 -0.144 0.000 3.106 151 N HA 0.277 5.017 4.740 0.000 0.000 0.253 151 N C -0.509 174.893 175.510 -0.179 0.000 1.506 151 N CA -0.243 52.614 53.050 -0.321 0.000 0.876 151 N CB 1.145 39.455 38.487 -0.295 0.000 1.452 151 N HN 0.921 nan 8.380 nan 0.000 0.542 152 T N -4.022 110.382 114.554 -0.249 0.000 3.040 152 T HA 0.191 4.541 4.350 0.000 0.000 0.250 152 T C -0.058 174.523 174.700 -0.198 0.000 1.058 152 T CA 0.494 62.472 62.100 -0.203 0.000 0.988 152 T CB -0.711 68.016 68.868 -0.237 0.000 0.993 152 T HN 0.625 nan 8.240 nan 0.000 0.519 153 S N 0.881 116.478 115.700 -0.173 0.000 3.549 153 S HA -0.116 4.354 4.470 0.000 0.000 0.366 153 S C 1.539 176.062 174.600 -0.129 0.000 1.012 153 S CA 0.901 59.026 58.200 -0.125 0.000 1.141 153 S CB -1.997 61.144 63.200 -0.100 0.000 0.910 153 S HN 1.805 nan 8.310 nan 0.000 0.471 154 G N -0.431 108.269 108.800 -0.167 0.000 2.175 154 G HA2 -0.212 3.748 3.960 0.000 0.000 0.265 154 G HA3 -0.212 3.748 3.960 0.000 0.000 0.265 154 G C 0.438 175.093 174.900 -0.408 0.000 0.979 154 G CA 0.325 45.305 45.100 -0.200 0.000 0.663 154 G HN 1.631 nan 8.290 nan 0.000 0.533 155 G N -0.559 108.007 108.800 -0.389 0.000 2.398 155 G HA2 0.516 4.476 3.960 0.000 0.000 0.246 155 G HA3 0.516 4.476 3.960 0.000 0.000 0.246 155 G C -0.503 174.038 174.900 -0.599 0.000 1.289 155 G CA -0.076 44.809 45.100 -0.358 0.000 0.869 155 G HN 0.297 nan 8.290 nan 0.000 0.543 156 F N 0.473 120.327 119.950 -0.160 0.000 2.613 156 F HA 0.350 4.877 4.527 0.000 0.000 0.314 156 F C 0.830 176.473 175.800 -0.262 0.000 1.075 156 F CA -1.025 56.823 58.000 -0.254 0.000 0.945 156 F CB 1.835 40.525 39.000 -0.516 0.000 1.310 156 F HN 0.312 nan 8.300 nan 0.000 0.467 157 L N 1.336 122.594 121.223 0.058 0.000 2.129 157 L HA -0.223 4.117 4.340 0.000 0.000 0.212 157 L C 2.152 179.052 176.870 0.051 0.000 1.087 157 L CA 2.175 57.042 54.840 0.045 0.000 0.757 157 L CB -1.007 41.100 42.059 0.081 0.000 0.896 157 L HN 0.777 nan 8.230 nan 0.000 0.434 158 H N -4.428 114.720 119.070 0.130 0.000 2.539 158 H HA 0.258 4.815 4.556 0.000 0.000 0.269 158 H C 0.362 175.747 175.328 0.095 0.000 0.980 158 H CA -0.180 55.919 56.048 0.086 0.000 1.152 158 H CB -1.165 28.626 29.762 0.049 0.000 1.407 158 H HN 0.057 nan 8.280 nan 0.000 0.564 159 T N 3.741 118.289 114.554 -0.011 0.000 2.814 159 T HA 0.178 4.528 4.350 0.000 0.000 0.297 159 T C -2.391 172.347 174.700 0.063 0.000 0.956 159 T CA -1.193 60.949 62.100 0.070 0.000 1.123 159 T CB 1.031 69.904 68.868 0.009 0.000 0.902 159 T HN 0.232 nan 8.240 nan 0.000 0.528 160 P HA 0.084 nan 4.420 nan 0.000 0.264 160 P C 0.993 178.301 177.300 0.012 0.000 1.193 160 P CA -0.312 62.815 63.100 0.045 0.000 0.763 160 P CB 0.357 32.083 31.700 0.044 0.000 0.810 161 I N 4.135 124.707 120.570 0.004 0.000 2.185 161 I HA -0.316 3.855 4.170 0.000 0.000 0.246 161 I C 1.680 177.763 176.117 -0.058 0.000 1.088 161 I CA 1.879 63.166 61.300 -0.022 0.000 1.347 161 I CB -0.522 37.473 38.000 -0.009 0.000 1.041 161 I HN 0.447 nan 8.210 nan 0.000 0.415 162 D N -0.414 119.959 120.400 -0.045 0.000 2.123 162 D HA -0.292 4.348 4.640 0.000 0.000 0.196 162 D C 1.908 178.160 176.300 -0.079 0.000 0.992 162 D CA 1.595 55.554 54.000 -0.068 0.000 0.833 162 D CB -0.757 40.025 40.800 -0.029 0.000 0.954 162 D HN 0.545 nan 8.370 nan 0.000 0.455 163 Q N -0.219 119.558 119.800 -0.040 0.000 2.079 163 Q HA -0.071 4.269 4.340 0.000 0.000 0.200 163 Q C 2.377 178.347 176.000 -0.050 0.000 0.974 163 Q CA 0.606 56.392 55.803 -0.028 0.000 0.840 163 Q CB -0.124 28.619 28.738 0.008 0.000 0.898 163 Q HN 0.184 nan 8.270 nan 0.000 0.430 164 L N 0.413 121.600 121.223 -0.059 0.000 2.046 164 L HA -0.160 4.181 4.340 0.000 0.000 0.208 164 L C 1.991 178.793 176.870 -0.113 0.000 1.077 164 L CA 1.765 56.559 54.840 -0.077 0.000 0.747 164 L CB -0.363 41.652 42.059 -0.073 0.000 0.896 164 L HN 0.262 nan 8.230 nan 0.000 0.432 165 M N -2.043 117.445 119.600 -0.186 0.000 2.159 165 M HA -0.191 4.290 4.480 0.000 0.000 0.263 165 M C 2.095 178.230 176.300 -0.274 0.000 1.063 165 M CA 1.438 56.525 55.300 -0.354 0.000 1.110 165 M CB -0.456 31.697 32.600 -0.745 0.000 1.374 165 M HN 0.157 nan 8.290 nan 0.000 0.411 166 V N 0.886 120.695 119.914 -0.174 0.000 2.307 166 V HA -0.237 3.883 4.120 0.000 0.000 0.245 166 V C 2.024 178.109 176.094 -0.015 0.000 1.045 166 V CA 1.675 63.946 62.300 -0.048 0.000 1.024 166 V CB -0.788 31.017 31.823 -0.029 0.000 0.651 166 V HN 0.472 nan 8.190 nan 0.000 0.449 167 N N 0.510 119.190 118.700 -0.033 0.000 2.223 167 N HA -0.107 4.633 4.740 0.000 0.000 0.185 167 N C 1.834 177.326 175.510 -0.031 0.000 1.016 167 N CA 1.562 54.596 53.050 -0.027 0.000 0.863 167 N CB -0.329 38.138 38.487 -0.033 0.000 0.983 167 N HN 0.505 nan 8.380 nan 0.000 0.429 168 A N 0.427 123.226 122.820 -0.034 0.000 1.898 168 A HA -0.019 4.301 4.320 0.000 0.000 0.216 168 A C 2.495 180.086 177.584 0.011 0.000 1.181 168 A CA 1.360 53.383 52.037 -0.024 0.000 0.620 168 A CB -0.527 18.460 19.000 -0.022 0.000 0.819 168 A HN 0.218 nan 8.150 nan 0.000 0.442 169 S N -0.146 115.590 115.700 0.059 0.000 2.383 169 S HA 0.012 4.482 4.470 0.000 0.000 0.227 169 S C 2.255 176.871 174.600 0.026 0.000 1.026 169 S CA 1.011 59.256 58.200 0.075 0.000 0.981 169 S CB -0.358 62.941 63.200 0.164 0.000 0.818 169 S HN 0.766 nan 8.310 nan 0.000 0.472 170 A N 1.257 124.086 122.820 0.014 0.000 1.933 170 A HA -0.060 4.261 4.320 0.000 0.000 0.218 170 A C 2.311 179.879 177.584 -0.027 0.000 1.175 170 A CA 1.779 53.813 52.037 -0.004 0.000 0.628 170 A CB -0.764 18.233 19.000 -0.005 0.000 0.814 170 A HN 0.440 nan 8.150 nan 0.000 0.444 171 S N -0.045 115.632 115.700 -0.039 0.000 2.355 171 S HA -0.086 4.384 4.470 0.000 0.000 0.222 171 S C 1.806 176.369 174.600 -0.062 0.000 1.031 171 S CA 1.274 59.432 58.200 -0.070 0.000 0.993 171 S CB -0.326 62.824 63.200 -0.084 0.000 0.859 171 S HN 0.475 nan 8.310 nan 0.000 0.453 172 I N 1.920 122.469 120.570 -0.036 0.000 2.226 172 I HA -0.149 4.022 4.170 0.000 0.000 0.245 172 I C 2.533 178.632 176.117 -0.029 0.000 1.100 172 I CA 1.327 62.611 61.300 -0.027 0.000 1.374 172 I CB -1.304 36.688 38.000 -0.012 0.000 1.057 172 I HN 0.431 nan 8.210 nan 0.000 0.413 173 E N 1.197 121.382 120.200 -0.025 0.000 2.110 173 E HA -0.202 4.149 4.350 0.000 0.000 0.193 173 E C 2.054 178.635 176.600 -0.033 0.000 0.988 173 E CA 0.999 57.385 56.400 -0.023 0.000 0.804 173 E CB 0.062 29.753 29.700 -0.015 0.000 0.745 173 E HN 0.396 nan 8.360 nan 0.000 0.458 174 R N -1.266 119.206 120.500 -0.047 0.000 2.313 174 R HA 0.066 4.406 4.340 0.000 0.000 0.199 174 R C 1.027 177.281 176.300 -0.076 0.000 0.958 174 R CA 0.527 56.589 56.100 -0.062 0.000 1.047 174 R CB 0.522 30.774 30.300 -0.081 0.000 0.955 174 R HN 0.351 nan 8.270 nan 0.000 0.481 175 G N 0.287 109.049 108.800 -0.065 0.000 2.184 175 G HA2 -0.186 3.774 3.960 0.000 0.000 0.206 175 G HA3 -0.186 3.774 3.960 0.000 0.000 0.206 175 G C 0.185 175.046 174.900 -0.065 0.000 0.995 175 G CA -0.670 44.393 45.100 -0.061 0.000 0.651 175 G HN 0.078 nan 8.290 nan 0.000 0.511 176 I N 1.617 122.138 120.570 -0.082 0.000 2.813 176 I HA 0.319 4.489 4.170 0.000 0.000 0.287 176 I C 1.790 177.912 176.117 0.010 0.000 1.196 176 I CA 1.303 62.565 61.300 -0.062 0.000 1.421 176 I CB 0.883 38.828 38.000 -0.091 0.000 1.365 176 I HN 0.156 nan 8.210 nan 0.000 0.591 177 G N 3.885 112.736 108.800 0.085 0.000 3.126 177 G HA2 0.449 4.410 3.960 0.000 0.000 0.224 177 G HA3 0.449 4.410 3.960 0.000 0.000 0.224 177 G C 0.487 175.540 174.900 0.255 0.000 1.142 177 G CA 0.416 45.609 45.100 0.155 0.000 0.759 177 G HN 0.898 nan 8.290 nan 0.000 0.550 178 G N -0.432 108.478 108.800 0.183 0.000 2.547 178 G HA2 0.461 4.421 3.960 0.000 0.000 0.291 178 G HA3 0.461 4.421 3.960 0.000 0.000 0.291 178 G C -1.933 172.947 174.900 -0.034 0.000 1.471 178 G CA -0.645 44.471 45.100 0.025 0.000 0.798 178 G HN -0.008 nan 8.290 nan 0.000 0.504 179 I N 0.614 121.087 120.570 -0.161 0.000 2.466 179 I HA 0.446 4.616 4.170 0.000 0.000 0.289 179 I C -0.274 175.690 176.117 -0.254 0.000 1.026 179 I CA -0.899 60.315 61.300 -0.144 0.000 1.078 179 I CB 1.831 39.760 38.000 -0.119 0.000 1.249 179 I HN 0.554 nan 8.210 nan 0.000 0.429 180 K N 7.103 127.396 120.400 -0.179 0.000 2.265 180 K HA 0.678 4.999 4.320 0.000 0.000 0.267 180 K C -1.383 175.110 176.600 -0.179 0.000 0.994 180 K CA -0.476 55.661 56.287 -0.250 0.000 0.860 180 K CB 1.170 33.594 32.500 -0.126 0.000 1.099 180 K HN 0.512 nan 8.250 nan 0.000 0.448 181 L N 4.104 125.203 121.223 -0.206 0.000 2.309 181 L HA 0.428 4.769 4.340 0.000 0.000 0.282 181 L C 0.108 176.899 176.870 -0.131 0.000 1.036 181 L CA -1.138 53.608 54.840 -0.158 0.000 0.806 181 L CB 1.388 43.354 42.059 -0.155 0.000 1.220 181 L HN 0.431 nan 8.230 nan 0.000 0.429 182 K N 2.910 123.256 120.400 -0.089 0.000 2.298 182 K HA 0.496 4.816 4.320 0.000 0.000 0.280 182 K C -0.268 176.308 176.600 -0.040 0.000 1.032 182 K CA -0.114 56.142 56.287 -0.052 0.000 0.958 182 K CB 1.727 34.228 32.500 0.002 0.000 0.978 182 K HN 0.512 nan 8.250 nan 0.000 0.472 183 V N -2.408 117.469 119.914 -0.061 0.000 3.103 183 V HA 0.870 4.990 4.120 0.000 0.000 0.311 183 V C 0.543 176.586 176.094 -0.085 0.000 1.322 183 V CA -0.223 62.080 62.300 0.005 0.000 1.063 183 V CB 1.468 33.356 31.823 0.108 0.000 1.090 183 V HN 0.812 nan 8.190 nan 0.000 0.462 184 G N 0.317 109.149 108.800 0.053 0.000 2.154 184 G HA2 -0.131 3.829 3.960 0.000 0.000 0.186 184 G HA3 -0.131 3.829 3.960 0.000 0.000 0.186 184 G C 0.044 175.016 174.900 0.121 0.000 1.000 184 G CA 0.221 45.276 45.100 -0.075 0.000 0.664 184 G HN 1.479 nan 8.290 nan 0.000 0.513 185 Q N 0.041 119.940 119.800 0.166 0.000 2.368 185 Q HA 0.565 4.905 4.340 0.000 0.000 0.237 185 Q C -1.370 174.728 176.000 0.163 0.000 0.987 185 Q CA -0.945 54.937 55.803 0.132 0.000 0.896 185 Q CB 1.186 29.988 28.738 0.107 0.000 1.241 185 Q HN 0.086 nan 8.270 nan 0.000 0.485 186 P HA -0.209 nan 4.420 nan 0.000 0.218 186 P C -0.272 177.079 177.300 0.085 0.000 1.154 186 P CA 1.853 65.014 63.100 0.101 0.000 0.872 186 P CB -0.001 31.739 31.700 0.068 0.000 0.790 187 D N -1.105 119.339 120.400 0.074 0.000 2.453 187 D HA 0.180 4.820 4.640 0.000 0.000 0.223 187 D C 1.546 177.880 176.300 0.057 0.000 1.183 187 D CA -0.188 53.841 54.000 0.050 0.000 0.933 187 D CB -0.249 40.575 40.800 0.040 0.000 1.038 187 D HN -0.044 nan 8.370 nan 0.000 0.513 188 G N 2.914 111.734 108.800 0.033 0.000 2.442 188 G HA2 -0.264 3.696 3.960 0.000 0.000 0.219 188 G HA3 -0.264 3.696 3.960 0.000 0.000 0.219 188 G C 1.476 176.359 174.900 -0.027 0.000 1.141 188 G CA 0.733 45.838 45.100 0.009 0.000 0.763 188 G HN 0.591 nan 8.290 nan 0.000 0.554 189 A N 0.162 122.961 122.820 -0.035 0.000 1.978 189 A HA 0.049 4.369 4.320 0.000 0.000 0.220 189 A C 2.327 179.913 177.584 0.004 0.000 1.170 189 A CA 1.402 53.419 52.037 -0.033 0.000 0.636 189 A CB -0.319 18.668 19.000 -0.023 0.000 0.810 189 A HN 0.321 nan 8.150 nan 0.000 0.448 190 L N 0.065 121.304 121.223 0.027 0.000 2.056 190 L HA -0.146 4.194 4.340 0.000 0.000 0.207 190 L C 1.919 178.830 176.870 0.067 0.000 1.078 190 L CA 2.021 56.889 54.840 0.047 0.000 0.749 190 L CB -0.705 41.386 42.059 0.053 0.000 0.901 190 L HN 0.345 nan 8.230 nan 0.000 0.433 191 D N -0.574 119.880 120.400 0.091 0.000 2.117 191 D HA -0.174 4.467 4.640 0.000 0.000 0.197 191 D C 2.369 178.758 176.300 0.148 0.000 0.987 191 D CA 1.364 55.451 54.000 0.144 0.000 0.829 191 D CB -0.049 40.897 40.800 0.243 0.000 0.961 191 D HN 0.317 nan 8.370 nan 0.000 0.460 192 I N 1.313 121.917 120.570 0.057 0.000 2.163 192 I HA -0.280 3.890 4.170 0.000 0.000 0.243 192 I C 2.532 178.719 176.117 0.117 0.000 1.085 192 I CA 1.159 62.459 61.300 -0.000 0.000 1.347 192 I CB -0.233 37.682 38.000 -0.142 0.000 1.044 192 I HN -0.076 nan 8.210 nan 0.000 0.408 193 A N 0.718 123.592 122.820 0.089 0.000 1.933 193 A HA -0.196 4.124 4.320 0.000 0.000 0.218 193 A C 2.386 180.032 177.584 0.103 0.000 1.175 193 A CA 1.469 53.565 52.037 0.098 0.000 0.628 193 A CB -0.531 18.508 19.000 0.063 0.000 0.814 193 A HN 0.315 nan 8.150 nan 0.000 0.444 194 R N -0.735 119.819 120.500 0.089 0.000 2.075 194 R HA -0.070 4.270 4.340 0.000 0.000 0.232 194 R C 1.993 178.341 176.300 0.079 0.000 1.126 194 R CA 1.474 57.616 56.100 0.070 0.000 0.963 194 R CB -0.471 29.862 30.300 0.055 0.000 0.858 194 R HN 0.394 nan 8.270 nan 0.000 0.435 195 V N 0.320 120.298 119.914 0.105 0.000 2.427 195 V HA -0.210 3.910 4.120 0.000 0.000 0.248 195 V C 2.070 178.299 176.094 0.226 0.000 1.051 195 V CA 2.055 64.414 62.300 0.099 0.000 1.048 195 V CB -0.537 31.294 31.823 0.014 0.000 0.666 195 V HN 0.388 nan 8.190 nan 0.000 0.456 196 T N 0.601 115.348 114.554 0.322 0.000 2.746 196 T HA -0.176 4.175 4.350 0.000 0.000 0.267 196 T C 2.108 176.909 174.700 0.169 0.000 1.039 196 T CA 1.697 63.991 62.100 0.323 0.000 1.142 196 T CB -0.418 68.609 68.868 0.265 0.000 0.866 196 T HN 0.578 nan 8.240 nan 0.000 0.444 197 A N 0.978 123.875 122.820 0.127 0.000 1.883 197 A HA -0.074 4.246 4.320 0.000 0.000 0.217 197 A C 2.593 180.236 177.584 0.097 0.000 1.186 197 A CA 1.562 53.653 52.037 0.090 0.000 0.624 197 A CB -1.066 17.969 19.000 0.059 0.000 0.822 197 A HN 0.358 nan 8.150 nan 0.000 0.444 198 V N 0.253 120.215 119.914 0.081 0.000 2.343 198 V HA -0.242 3.878 4.120 0.000 0.000 0.247 198 V C 2.683 178.838 176.094 0.101 0.000 1.051 198 V CA 2.355 64.700 62.300 0.075 0.000 1.036 198 V CB -0.884 30.951 31.823 0.021 0.000 0.654 198 V HN 0.675 nan 8.190 nan 0.000 0.451 199 R N 1.398 121.959 120.500 0.101 0.000 2.091 199 R HA -0.196 4.144 4.340 0.000 0.000 0.238 199 R C 2.130 178.469 176.300 0.064 0.000 1.136 199 R CA 2.123 58.274 56.100 0.085 0.000 0.959 199 R CB -0.681 29.694 30.300 0.124 0.000 0.856 199 R HN 0.409 nan 8.270 nan 0.000 0.437 200 K N -0.705 119.740 120.400 0.076 0.000 2.026 200 K HA -0.168 4.153 4.320 0.000 0.000 0.208 200 K C 2.117 178.752 176.600 0.059 0.000 1.048 200 K CA 2.137 58.457 56.287 0.054 0.000 0.929 200 K CB -0.703 31.833 32.500 0.060 0.000 0.713 200 K HN 0.473 nan 8.250 nan 0.000 0.439 201 H N -0.352 118.723 119.070 0.008 0.000 2.321 201 H HA 0.020 4.577 4.556 0.000 0.000 0.300 201 H C 1.566 176.891 175.328 -0.004 0.000 1.087 201 H CA 2.301 58.350 56.048 0.002 0.000 1.319 201 H CB 0.039 29.802 29.762 0.002 0.000 1.379 201 H HN 0.178 nan 8.280 nan 0.000 0.501 202 L N -0.941 120.310 121.223 0.045 0.000 2.375 202 L HA 0.233 4.574 4.340 0.000 0.000 0.215 202 L C 1.024 177.871 176.870 -0.039 0.000 1.108 202 L CA 0.219 55.051 54.840 -0.013 0.000 0.830 202 L CB -0.188 41.895 42.059 0.040 0.000 0.959 202 L HN 0.583 nan 8.230 nan 0.000 0.457 203 G N 0.145 108.931 108.800 -0.023 0.000 2.662 203 G HA2 -0.199 3.762 3.960 0.000 0.000 0.686 203 G HA3 -0.199 3.762 3.960 0.000 0.000 0.686 203 G C -0.297 174.595 174.900 -0.013 0.000 1.271 203 G CA -0.337 44.748 45.100 -0.025 0.000 0.816 203 G HN 0.063 nan 8.290 nan 0.000 0.608 204 D N 0.243 120.635 120.400 -0.014 0.000 2.310 204 D HA 0.048 4.689 4.640 0.000 0.000 0.212 204 D C 2.474 178.771 176.300 -0.005 0.000 0.965 204 D CA 1.507 55.501 54.000 -0.009 0.000 0.879 204 D CB -0.132 40.661 40.800 -0.012 0.000 0.921 204 D HN 0.870 nan 8.370 nan 0.000 0.510 205 A N 0.229 123.045 122.820 -0.006 0.000 2.208 205 A HA 0.073 4.393 4.320 0.000 0.000 0.209 205 A C 1.029 178.617 177.584 0.006 0.000 1.161 205 A CA 0.099 52.136 52.037 0.001 0.000 0.782 205 A CB 0.338 19.337 19.000 -0.003 0.000 0.816 205 A HN 0.030 nan 8.150 nan 0.000 0.477 206 V N 2.226 122.138 119.914 -0.004 0.000 2.348 206 V HA 0.243 4.363 4.120 0.000 0.000 0.270 206 V C -2.442 173.633 176.094 -0.032 0.000 1.037 206 V CA -1.733 60.563 62.300 -0.007 0.000 0.872 206 V CB 0.958 32.772 31.823 -0.014 0.000 1.002 206 V HN 0.195 nan 8.190 nan 0.000 0.464 207 P HA 0.290 nan 4.420 nan 0.000 0.268 207 P C -0.824 176.322 177.300 -0.256 0.000 1.205 207 P CA 0.072 63.099 63.100 -0.122 0.000 0.771 207 P CB 0.535 32.199 31.700 -0.060 0.000 0.858 208 L N 2.792 123.814 121.223 -0.335 0.000 2.401 208 L HA 0.600 4.941 4.340 0.000 0.000 0.266 208 L C -0.329 176.176 176.870 -0.608 0.000 0.991 208 L CA -0.784 53.818 54.840 -0.397 0.000 0.818 208 L CB 1.881 43.797 42.059 -0.238 0.000 1.321 208 L HN 0.275 nan 8.230 nan 0.000 0.413 209 M N 2.689 121.855 119.600 -0.724 0.000 2.619 209 M HA 0.695 5.176 4.480 0.000 0.000 0.297 209 M C -0.728 175.233 176.300 -0.566 0.000 1.229 209 M CA -0.762 53.996 55.300 -0.902 0.000 0.860 209 M CB 2.464 34.101 32.600 -1.605 0.000 1.741 209 M HN 0.300 nan 8.290 nan 0.000 0.462 210 V N -2.047 117.601 119.914 -0.444 0.000 2.823 210 V HA 0.857 4.977 4.120 0.000 0.000 0.312 210 V C -1.690 174.312 176.094 -0.153 0.000 1.072 210 V CA -0.464 61.644 62.300 -0.321 0.000 0.937 210 V CB 2.097 33.639 31.823 -0.469 0.000 1.013 210 V HN 0.825 nan 8.190 nan 0.000 0.430 211 D N 2.740 123.063 120.400 -0.128 0.000 2.505 211 D HA 0.690 5.330 4.640 0.000 0.000 0.250 211 D C 0.507 176.695 176.300 -0.188 0.000 1.164 211 D CA 0.087 54.036 54.000 -0.085 0.000 0.870 211 D CB 2.084 42.884 40.800 -0.001 0.000 1.160 211 D HN 0.875 nan 8.370 nan 0.000 0.549 212 A N 3.732 126.351 122.820 -0.333 0.000 2.218 212 A HA 0.046 4.366 4.320 0.000 0.000 0.209 212 A C 0.913 178.253 177.584 -0.407 0.000 1.168 212 A CA -0.040 51.628 52.037 -0.615 0.000 0.804 212 A CB -0.310 17.875 19.000 -1.359 0.000 0.834 212 A HN 0.748 nan 8.150 nan 0.000 0.482 213 N N 0.307 118.875 118.700 -0.220 0.000 2.714 213 N HA -0.246 4.495 4.740 0.000 0.000 0.252 213 N C -0.405 175.025 175.510 -0.133 0.000 1.014 213 N CA 1.250 54.225 53.050 -0.126 0.000 0.735 213 N CB -1.358 37.089 38.487 -0.067 0.000 0.924 213 N HN 0.803 nan 8.380 nan 0.000 0.540 214 Q N -3.089 116.622 119.800 -0.148 0.000 2.481 214 Q HA -0.304 4.036 4.340 0.000 0.000 0.258 214 Q C 0.537 176.472 176.000 -0.108 0.000 0.961 214 Q CA 1.361 57.109 55.803 -0.092 0.000 1.121 214 Q CB -1.519 27.195 28.738 -0.040 0.000 1.503 214 Q HN 0.654 nan 8.270 nan 0.000 0.544 215 Q N -0.773 118.887 119.800 -0.234 0.000 2.451 215 Q HA -0.031 4.309 4.340 0.000 0.000 0.206 215 Q C 0.058 176.050 176.000 -0.013 0.000 0.947 215 Q CA 0.413 56.116 55.803 -0.168 0.000 0.937 215 Q CB 0.344 28.949 28.738 -0.221 0.000 1.025 215 Q HN 0.287 nan 8.270 nan 0.000 0.511 216 W N 2.227 123.536 121.300 0.015 0.000 2.512 216 W HA 0.210 4.870 4.660 0.000 0.000 0.335 216 W C 0.088 176.601 176.519 -0.011 0.000 1.088 216 W CA -1.822 55.526 57.345 0.005 0.000 1.236 216 W CB 0.463 29.929 29.460 0.010 0.000 1.307 216 W HN 0.045 nan 8.180 nan 0.000 0.567 217 D N 0.027 120.562 120.400 0.225 0.000 2.423 217 D HA 0.254 4.895 4.640 0.000 0.000 0.255 217 D C 1.152 177.506 176.300 0.090 0.000 1.174 217 D CA -0.471 53.593 54.000 0.107 0.000 1.008 217 D CB 0.923 41.762 40.800 0.065 0.000 1.101 217 D HN 0.236 nan 8.370 nan 0.000 0.516 218 R N -0.151 120.374 120.500 0.042 0.000 2.094 218 R HA -0.086 4.254 4.340 0.000 0.000 0.239 218 R C -0.653 175.661 176.300 0.024 0.000 1.137 218 R CA 1.844 57.963 56.100 0.031 0.000 0.943 218 R CB -1.499 28.809 30.300 0.012 0.000 0.850 218 R HN 0.551 nan 8.270 nan 0.000 0.433 219 P HA -0.112 nan 4.420 nan 0.000 0.216 219 P C 0.963 178.224 177.300 -0.065 0.000 1.153 219 P CA 1.574 64.665 63.100 -0.014 0.000 0.848 219 P CB -0.099 31.592 31.700 -0.014 0.000 0.787 220 T N 0.445 114.945 114.554 -0.091 0.000 2.708 220 T HA -0.063 4.287 4.350 0.000 0.000 0.266 220 T C 2.149 176.595 174.700 -0.422 0.000 1.037 220 T CA 1.722 63.679 62.100 -0.239 0.000 1.146 220 T CB -0.944 67.803 68.868 -0.201 0.000 0.865 220 T HN 0.088 nan 8.240 nan 0.000 0.435 221 A N 1.631 124.318 122.820 -0.221 0.000 1.908 221 A HA -0.193 4.127 4.320 0.000 0.000 0.218 221 A C 2.389 179.871 177.584 -0.169 0.000 1.181 221 A CA 1.365 53.308 52.037 -0.156 0.000 0.627 221 A CB -0.599 18.527 19.000 0.211 0.000 0.818 221 A HN 0.391 nan 8.150 nan 0.000 0.445 222 Q N -0.546 119.231 119.800 -0.039 0.000 2.061 222 Q HA -0.190 4.151 4.340 0.000 0.000 0.204 222 Q C 2.318 178.288 176.000 -0.051 0.000 0.984 222 Q CA 1.842 57.701 55.803 0.095 0.000 0.846 222 Q CB -0.289 28.524 28.738 0.126 0.000 0.902 222 Q HN 0.708 nan 8.270 nan 0.000 0.421 223 R N -0.501 119.903 120.500 -0.159 0.000 2.075 223 R HA -0.028 4.312 4.340 0.000 0.000 0.232 223 R C 2.365 178.443 176.300 -0.370 0.000 1.126 223 R CA 1.126 57.099 56.100 -0.212 0.000 0.963 223 R CB -0.084 30.095 30.300 -0.203 0.000 0.858 223 R HN 0.199 nan 8.270 nan 0.000 0.435 224 M N -0.190 119.069 119.600 -0.568 0.000 2.132 224 M HA -0.142 4.338 4.480 0.000 0.000 0.263 224 M C 2.406 178.396 176.300 -0.517 0.000 1.065 224 M CA 1.291 56.158 55.300 -0.722 0.000 1.122 224 M CB -0.939 30.872 32.600 -1.314 0.000 1.365 224 M HN 0.241 nan 8.290 nan 0.000 0.411 225 C N -0.376 118.641 119.300 -0.472 0.000 2.425 225 C HA -0.148 4.312 4.460 0.000 0.000 0.277 225 C C 2.917 177.466 174.990 -0.735 0.000 1.280 225 C CA 0.866 59.566 59.018 -0.529 0.000 1.744 225 C CB -1.056 26.198 27.740 -0.809 0.000 1.989 225 C HN 0.549 nan 8.230 nan 0.000 0.491 226 R N 0.670 120.749 120.500 -0.702 0.000 2.081 226 R HA -0.088 4.252 4.340 0.000 0.000 0.235 226 R C 1.965 178.179 176.300 -0.142 0.000 1.131 226 R CA 1.478 57.405 56.100 -0.287 0.000 0.960 226 R CB -0.177 30.135 30.300 0.019 0.000 0.856 226 R HN 0.345 nan 8.270 nan 0.000 0.436 227 I N 0.285 120.715 120.570 -0.234 0.000 2.315 227 I HA -0.215 3.955 4.170 0.000 0.000 0.248 227 I C 1.719 177.791 176.117 -0.075 0.000 1.117 227 I CA 1.285 62.465 61.300 -0.199 0.000 1.404 227 I CB -0.949 36.815 38.000 -0.395 0.000 1.071 227 I HN 0.120 nan 8.210 nan 0.000 0.419 228 F N 1.338 121.232 119.950 -0.094 0.000 2.558 228 F HA -0.038 4.489 4.527 0.000 0.000 0.298 228 F C 2.370 178.266 175.800 0.160 0.000 1.119 228 F CA 0.314 58.262 58.000 -0.086 0.000 1.451 228 F CB -0.566 38.282 39.000 -0.253 0.000 1.091 228 F HN 0.096 nan 8.300 nan 0.000 0.563 229 E N 0.772 121.115 120.200 0.238 0.000 2.086 229 E HA -0.226 4.124 4.350 0.000 0.000 0.205 229 E C -0.274 176.464 176.600 0.230 0.000 1.027 229 E CA 1.969 58.490 56.400 0.203 0.000 0.830 229 E CB -1.972 27.828 29.700 0.167 0.000 0.751 229 E HN 0.281 nan 8.360 nan 0.000 0.456 230 P HA -0.111 nan 4.420 nan 0.000 0.228 230 P C 1.163 178.507 177.300 0.073 0.000 1.151 230 P CA 0.908 64.069 63.100 0.102 0.000 0.770 230 P CB -0.334 31.372 31.700 0.010 0.000 0.786 231 F N 0.494 120.491 119.950 0.079 0.000 2.502 231 F HA 0.026 4.553 4.527 0.000 0.000 0.298 231 F C 0.888 176.699 175.800 0.017 0.000 1.111 231 F CA 0.461 58.499 58.000 0.064 0.000 1.445 231 F CB -1.156 37.916 39.000 0.120 0.000 1.081 231 F HN -0.056 nan 8.300 nan 0.000 0.558 232 N N 0.845 119.660 118.700 0.192 0.000 2.740 232 N HA -0.197 4.544 4.740 0.000 0.000 0.248 232 N C -0.574 174.964 175.510 0.047 0.000 1.062 232 N CA -0.343 52.768 53.050 0.101 0.000 0.704 232 N CB -1.420 37.106 38.487 0.064 0.000 0.968 232 N HN 0.192 nan 8.380 nan 0.000 0.547 233 L N -0.389 120.846 121.223 0.020 0.000 2.473 233 L HA 0.054 4.394 4.340 0.000 0.000 0.268 233 L C 2.015 178.789 176.870 -0.160 0.000 1.215 233 L CA -0.388 54.371 54.840 -0.136 0.000 0.823 233 L CB 0.408 42.328 42.059 -0.232 0.000 1.099 233 L HN -0.042 nan 8.230 nan 0.000 0.483 234 V N 0.177 119.868 119.914 -0.373 0.000 2.358 234 V HA -0.122 3.998 4.120 0.000 0.000 0.246 234 V C 0.022 176.016 176.094 -0.166 0.000 1.047 234 V CA 1.499 63.564 62.300 -0.391 0.000 1.035 234 V CB -0.545 30.676 31.823 -1.002 0.000 0.658 234 V HN 0.928 nan 8.190 nan 0.000 0.452 235 W N -2.828 118.278 121.300 -0.324 0.000 2.982 235 W HA 0.655 5.316 4.660 0.000 0.000 0.344 235 W C -1.851 174.523 176.519 -0.241 0.000 1.215 235 W CA -1.790 55.417 57.345 -0.230 0.000 1.182 235 W CB 0.332 29.597 29.460 -0.325 0.000 1.437 235 W HN -0.248 nan 8.180 nan 0.000 0.570 236 I N 2.378 123.115 120.570 0.278 0.000 2.382 236 I HA 0.223 4.393 4.170 0.000 0.000 0.286 236 I C -0.225 175.998 176.117 0.176 0.000 1.002 236 I CA -0.806 60.588 61.300 0.158 0.000 1.135 236 I CB 1.644 39.728 38.000 0.141 0.000 1.288 236 I HN 0.558 nan 8.210 nan 0.000 0.448 237 E N 6.740 127.030 120.200 0.150 0.000 2.216 237 E HA 0.175 4.525 4.350 0.000 0.000 0.279 237 E C -0.399 176.173 176.600 -0.047 0.000 0.997 237 E CA -0.346 56.046 56.400 -0.014 0.000 0.817 237 E CB 0.778 30.499 29.700 0.035 0.000 1.096 237 E HN 0.488 nan 8.360 nan 0.000 0.393 238 E N 3.076 123.237 120.200 -0.066 0.000 2.183 238 E HA -0.179 4.171 4.350 0.000 0.000 0.196 238 E C -1.852 174.768 176.600 0.032 0.000 1.364 238 E CA 0.080 56.479 56.400 -0.003 0.000 0.700 238 E CB -0.399 29.263 29.700 -0.064 0.000 1.106 238 E HN 0.543 nan 8.360 nan 0.000 0.347 239 P HA -0.094 nan 4.420 nan 0.000 0.221 239 P C 0.653 178.042 177.300 0.148 0.000 1.150 239 P CA 1.147 64.346 63.100 0.165 0.000 0.800 239 P CB 0.405 32.383 31.700 0.463 0.000 0.787 240 L N -1.116 120.171 121.223 0.107 0.000 2.256 240 L HA 0.418 4.758 4.340 0.000 0.000 0.261 240 L C 0.604 177.474 176.870 0.000 0.000 1.022 240 L CA -1.346 53.448 54.840 -0.077 0.000 0.828 240 L CB 0.766 42.565 42.059 -0.434 0.000 1.374 240 L HN -0.183 nan 8.230 nan 0.000 0.436 241 D N 0.658 121.040 120.400 -0.030 0.000 2.525 241 D HA -0.043 4.598 4.640 0.000 0.000 0.235 241 D C 0.888 177.210 176.300 0.037 0.000 1.137 241 D CA 0.580 54.586 54.000 0.009 0.000 0.868 241 D CB 1.678 42.483 40.800 0.008 0.000 1.180 241 D HN 0.655 nan 8.370 nan 0.000 0.465 242 A N 4.062 126.873 122.820 -0.015 0.000 2.042 242 A HA -0.242 4.078 4.320 0.000 0.000 0.222 242 A C 1.400 178.760 177.584 -0.374 0.000 1.167 242 A CA 1.392 53.312 52.037 -0.195 0.000 0.649 242 A CB -0.559 18.222 19.000 -0.366 0.000 0.809 242 A HN 0.740 nan 8.150 nan 0.000 0.457 243 Y N -1.237 119.006 120.300 -0.095 0.000 2.458 243 Y HA 0.184 4.735 4.550 0.000 0.000 0.256 243 Y C 0.528 176.128 175.900 -0.500 0.000 1.159 243 Y CA -0.524 57.373 58.100 -0.338 0.000 1.261 243 Y CB 0.347 38.644 38.460 -0.273 0.000 1.119 243 Y HN 0.206 nan 8.280 nan 0.000 0.524 244 D N 0.237 120.560 120.400 -0.128 0.000 2.608 244 D HA 0.002 4.642 4.640 0.000 0.000 0.224 244 D C 0.864 177.134 176.300 -0.050 0.000 1.123 244 D CA 0.385 54.300 54.000 -0.141 0.000 1.030 244 D CB -0.325 40.389 40.800 -0.144 0.000 1.093 244 D HN 0.486 nan 8.370 nan 0.000 0.497 245 H N 0.717 119.734 119.070 -0.089 0.000 2.353 245 H HA -0.054 4.503 4.556 0.000 0.000 0.300 245 H C 1.496 176.737 175.328 -0.144 0.000 1.090 245 H CA 0.907 56.853 56.048 -0.171 0.000 1.327 245 H CB 0.590 30.026 29.762 -0.543 0.000 1.383 245 H HN 0.408 nan 8.280 nan 0.000 0.508 246 E N 0.220 120.383 120.200 -0.063 0.000 2.106 246 E HA -0.117 4.233 4.350 0.000 0.000 0.192 246 E C 2.571 179.200 176.600 0.049 0.000 0.984 246 E CA 0.647 57.073 56.400 0.043 0.000 0.806 246 E CB -0.088 29.640 29.700 0.046 0.000 0.750 246 E HN 0.540 nan 8.360 nan 0.000 0.458 247 G N 0.788 109.584 108.800 -0.007 0.000 2.404 247 G HA2 -0.250 3.710 3.960 0.000 0.000 0.215 247 G HA3 -0.250 3.710 3.960 0.000 0.000 0.215 247 G C 1.328 176.230 174.900 0.003 0.000 1.174 247 G CA 0.644 45.724 45.100 -0.034 0.000 0.780 247 G HN 0.253 nan 8.290 nan 0.000 0.537 248 H N 0.819 119.929 119.070 0.067 0.000 2.387 248 H HA 0.029 4.585 4.556 0.000 0.000 0.299 248 H C 2.939 178.319 175.328 0.087 0.000 1.090 248 H CA 1.210 57.307 56.048 0.082 0.000 1.332 248 H CB -0.399 29.400 29.762 0.061 0.000 1.386 248 H HN 0.376 nan 8.280 nan 0.000 0.516 249 A N 1.091 124.033 122.820 0.204 0.000 1.902 249 A HA -0.094 4.226 4.320 0.000 0.000 0.217 249 A C 2.706 180.356 177.584 0.112 0.000 1.181 249 A CA 1.697 53.823 52.037 0.149 0.000 0.623 249 A CB -0.766 18.330 19.000 0.160 0.000 0.818 249 A HN 0.431 nan 8.150 nan 0.000 0.443 250 A N -0.321 122.557 122.820 0.097 0.000 1.933 250 A HA -0.024 4.297 4.320 0.000 0.000 0.218 250 A C 2.177 179.796 177.584 0.058 0.000 1.175 250 A CA 1.476 53.547 52.037 0.057 0.000 0.628 250 A CB -0.547 18.480 19.000 0.045 0.000 0.814 250 A HN 0.475 nan 8.150 nan 0.000 0.444 251 L N -0.929 120.383 121.223 0.148 0.000 2.027 251 L HA -0.163 4.177 4.340 0.000 0.000 0.206 251 L C 3.135 180.172 176.870 0.278 0.000 1.074 251 L CA 1.065 56.077 54.840 0.286 0.000 0.745 251 L CB -0.588 41.685 42.059 0.356 0.000 0.898 251 L HN 0.429 nan 8.230 nan 0.000 0.433 252 A N 0.066 123.012 122.820 0.210 0.000 1.902 252 A HA -0.238 4.082 4.320 0.000 0.000 0.217 252 A C 2.204 179.846 177.584 0.096 0.000 1.181 252 A CA 1.783 53.921 52.037 0.169 0.000 0.623 252 A CB -0.751 18.325 19.000 0.126 0.000 0.818 252 A HN 0.337 nan 8.150 nan 0.000 0.443 253 L N -0.226 121.025 121.223 0.046 0.000 2.042 253 L HA -0.205 4.135 4.340 0.000 0.000 0.210 253 L C 2.451 179.280 176.870 -0.069 0.000 1.076 253 L CA 2.814 57.652 54.840 -0.004 0.000 0.749 253 L CB -0.731 41.321 42.059 -0.010 0.000 0.893 253 L HN 0.600 nan 8.230 nan 0.000 0.432 254 Q N -1.644 118.048 119.800 -0.179 0.000 2.187 254 Q HA -0.028 4.313 4.340 0.000 0.000 0.199 254 Q C -0.228 175.488 176.000 -0.473 0.000 0.957 254 Q CA 0.538 56.092 55.803 -0.415 0.000 0.857 254 Q CB 0.081 28.398 28.738 -0.702 0.000 0.929 254 Q HN 0.394 nan 8.270 nan 0.000 0.453 255 F N 0.629 120.616 119.950 0.062 0.000 2.425 255 F HA 0.217 4.744 4.527 0.001 0.000 0.331 255 F C 0.757 176.603 175.800 0.077 0.000 1.085 255 F CA -1.125 56.918 58.000 0.072 0.000 1.028 255 F CB 1.213 40.268 39.000 0.091 0.000 1.177 255 F HN -0.085 nan 8.300 nan 0.000 0.487 256 D N 0.036 120.603 120.400 0.279 0.000 2.117 256 D HA -0.081 4.560 4.640 0.000 0.000 0.198 256 D C 0.602 177.018 176.300 0.194 0.000 0.982 256 D CA 1.210 55.321 54.000 0.185 0.000 0.828 256 D CB -0.510 40.382 40.800 0.152 0.000 0.967 256 D HN 0.401 nan 8.370 nan 0.000 0.464 257 T N 3.450 118.135 114.554 0.217 0.000 2.871 257 T HA 0.118 4.468 4.350 0.000 0.000 0.296 257 T C -2.363 172.467 174.700 0.216 0.000 0.998 257 T CA -0.854 61.360 62.100 0.189 0.000 1.162 257 T CB 0.928 69.886 68.868 0.149 0.000 0.947 257 T HN -0.050 nan 8.240 nan 0.000 0.536 258 P HA 0.208 nan 4.420 nan 0.000 0.268 258 P C -0.548 176.912 177.300 0.267 0.000 1.205 258 P CA -0.390 62.877 63.100 0.279 0.000 0.771 258 P CB 0.361 32.338 31.700 0.462 0.000 0.858 259 I N 2.307 122.993 120.570 0.194 0.000 2.359 259 I HA 0.498 4.669 4.170 0.000 0.000 0.294 259 I C 0.313 176.431 176.117 0.001 0.000 0.987 259 I CA -0.269 61.105 61.300 0.124 0.000 1.225 259 I CB 1.107 39.189 38.000 0.138 0.000 1.366 259 I HN 0.271 nan 8.210 nan 0.000 0.466 260 A N 4.248 126.977 122.820 -0.151 0.000 2.342 260 A HA 0.915 5.235 4.320 0.000 0.000 0.323 260 A C -0.240 177.130 177.584 -0.356 0.000 1.125 260 A CA -0.384 51.422 52.037 -0.386 0.000 0.785 260 A CB 1.498 19.876 19.000 -1.037 0.000 1.221 260 A HN 0.638 nan 8.150 nan 0.000 0.463 261 T N -0.231 114.119 114.554 -0.339 0.000 2.775 261 T HA 0.582 4.932 4.350 0.000 0.000 0.320 261 T C 0.344 174.891 174.700 -0.255 0.000 1.597 261 T CA 0.676 62.577 62.100 -0.332 0.000 1.022 261 T CB 0.909 69.459 68.868 -0.530 0.000 1.485 261 T HN 2.376 nan 8.240 nan 0.000 0.494 262 G N 1.538 110.193 108.800 -0.241 0.000 2.485 262 G HA2 -0.152 3.809 3.960 0.000 0.000 0.181 262 G HA3 -0.152 3.809 3.960 0.000 0.000 0.181 262 G C 0.772 175.600 174.900 -0.120 0.000 0.999 262 G CA 1.049 46.030 45.100 -0.199 0.000 0.721 262 G HN 0.997 nan 8.290 nan 0.000 0.486 263 E N 0.291 120.391 120.200 -0.166 0.000 2.209 263 E HA -0.100 4.250 4.350 0.000 0.000 0.196 263 E C 2.032 178.493 176.600 -0.233 0.000 0.993 263 E CA 1.447 57.688 56.400 -0.264 0.000 0.819 263 E CB -0.223 29.096 29.700 -0.637 0.000 0.745 263 E HN 0.442 nan 8.360 nan 0.000 0.477 264 M N 0.842 120.312 119.600 -0.216 0.000 2.541 264 M HA 0.214 4.694 4.480 0.000 0.000 0.252 264 M C 0.831 177.054 176.300 -0.127 0.000 1.125 264 M CA 0.289 55.491 55.300 -0.164 0.000 1.091 264 M CB -0.360 32.136 32.600 -0.173 0.000 1.420 264 M HN 0.085 nan 8.290 nan 0.000 0.486 265 L N 1.288 122.397 121.223 -0.191 0.000 2.456 265 L HA 0.074 4.414 4.340 0.000 0.000 0.272 265 L C 1.200 178.096 176.870 0.043 0.000 1.189 265 L CA 0.067 54.811 54.840 -0.160 0.000 0.846 265 L CB 0.211 41.954 42.059 -0.527 0.000 1.111 265 L HN 0.272 nan 8.230 nan 0.000 0.475 266 T N -2.592 112.017 114.554 0.092 0.000 3.296 266 T HA 0.311 4.662 4.350 0.000 0.000 0.285 266 T C 0.050 174.841 174.700 0.152 0.000 1.014 266 T CA -0.103 62.069 62.100 0.121 0.000 0.920 266 T CB -0.031 68.887 68.868 0.083 0.000 1.143 266 T HN 0.666 nan 8.240 nan 0.000 0.522 267 S N -0.854 114.956 115.700 0.184 0.000 2.578 267 S HA 0.708 5.178 4.470 0.000 0.000 0.272 267 S C 1.020 175.736 174.600 0.193 0.000 1.145 267 S CA -0.376 57.931 58.200 0.179 0.000 0.835 267 S CB 0.947 64.234 63.200 0.144 0.000 1.104 267 S HN 0.334 nan 8.310 nan 0.000 0.458 268 A N 1.453 124.340 122.820 0.111 0.000 1.972 268 A HA 0.322 4.642 4.320 0.000 0.000 0.219 268 A C 2.285 179.915 177.584 0.077 0.000 1.169 268 A CA 1.977 54.047 52.037 0.056 0.000 0.635 268 A CB -1.505 17.470 19.000 -0.041 0.000 0.810 268 A HN 1.684 nan 8.150 nan 0.000 0.446 269 A N 0.011 122.876 122.820 0.074 0.000 1.902 269 A HA -0.178 4.142 4.320 0.000 0.000 0.217 269 A C 1.917 179.547 177.584 0.077 0.000 1.181 269 A CA 1.600 53.677 52.037 0.067 0.000 0.623 269 A CB -0.500 18.540 19.000 0.067 0.000 0.818 269 A HN 0.639 nan 8.150 nan 0.000 0.443 270 E N -1.184 119.069 120.200 0.090 0.000 2.106 270 E HA -0.202 4.149 4.350 0.000 0.000 0.192 270 E C 1.857 178.414 176.600 -0.073 0.000 0.984 270 E CA 1.366 57.806 56.400 0.067 0.000 0.806 270 E CB -0.275 29.475 29.700 0.085 0.000 0.750 270 E HN 0.834 nan 8.360 nan 0.000 0.458 271 H N -0.301 118.744 119.070 -0.042 0.000 2.428 271 H HA -0.014 4.542 4.556 0.000 0.000 0.296 271 H C 2.217 177.480 175.328 -0.108 0.000 1.062 271 H CA 1.251 57.234 56.048 -0.108 0.000 1.350 271 H CB -0.250 29.435 29.762 -0.128 0.000 1.403 271 H HN 0.218 nan 8.280 nan 0.000 0.533 272 G N 0.361 109.189 108.800 0.047 0.000 2.442 272 G HA2 -0.270 3.690 3.960 0.000 0.000 0.219 272 G HA3 -0.270 3.690 3.960 0.000 0.000 0.219 272 G C 1.268 176.163 174.900 -0.008 0.000 1.141 272 G CA 1.157 46.266 45.100 0.015 0.000 0.763 272 G HN 0.355 nan 8.290 nan 0.000 0.554 273 D N 0.364 120.752 120.400 -0.019 0.000 2.117 273 D HA -0.047 4.593 4.640 0.000 0.000 0.198 273 D C 2.642 178.853 176.300 -0.148 0.000 0.982 273 D CA 0.338 54.339 54.000 0.001 0.000 0.828 273 D CB -0.203 40.651 40.800 0.089 0.000 0.967 273 D HN 0.251 nan 8.370 nan 0.000 0.464 274 L N 0.726 121.693 121.223 -0.426 0.000 2.012 274 L HA -0.191 4.149 4.340 0.000 0.000 0.210 274 L C 2.576 179.367 176.870 -0.132 0.000 1.073 274 L CA 0.970 55.552 54.840 -0.430 0.000 0.748 274 L CB -0.298 41.547 42.059 -0.356 0.000 0.891 274 L HN 0.039 nan 8.230 nan 0.000 0.431 275 I N -0.755 119.766 120.570 -0.081 0.000 2.226 275 I HA -0.331 3.839 4.170 0.000 0.000 0.245 275 I C 2.760 178.868 176.117 -0.014 0.000 1.100 275 I CA 1.195 62.474 61.300 -0.034 0.000 1.374 275 I CB -0.412 37.577 38.000 -0.019 0.000 1.057 275 I HN 0.276 nan 8.210 nan 0.000 0.413 276 R N 0.431 120.922 120.500 -0.015 0.000 2.096 276 R HA -0.203 4.138 4.340 0.000 0.000 0.235 276 R C 2.050 178.297 176.300 -0.088 0.000 1.127 276 R CA 1.745 57.814 56.100 -0.051 0.000 0.968 276 R CB -0.219 30.035 30.300 -0.076 0.000 0.861 276 R HN 0.420 nan 8.270 nan 0.000 0.440 277 H N -0.394 118.656 119.070 -0.032 0.000 2.548 277 H HA 0.238 4.794 4.556 0.000 0.000 0.268 277 H C -0.018 175.311 175.328 0.002 0.000 0.975 277 H CA 0.641 56.691 56.048 0.003 0.000 1.195 277 H CB 0.332 30.117 29.762 0.038 0.000 1.397 277 H HN 0.124 nan 8.280 nan 0.000 0.572 278 R N -0.563 119.985 120.500 0.080 0.000 3.332 278 R HA -0.176 4.164 4.340 0.000 0.000 0.263 278 R C 0.416 176.754 176.300 0.063 0.000 1.053 278 R CA 0.383 56.508 56.100 0.041 0.000 0.705 278 R CB -1.899 28.418 30.300 0.029 0.000 1.166 278 R HN 0.418 nan 8.270 nan 0.000 0.427 279 A N -0.173 122.681 122.820 0.056 0.000 2.275 279 A HA 0.563 4.883 4.320 0.000 0.000 0.212 279 A C 0.678 178.258 177.584 -0.006 0.000 1.201 279 A CA 0.856 52.937 52.037 0.073 0.000 0.843 279 A CB 0.519 19.574 19.000 0.091 0.000 0.873 279 A HN 0.574 nan 8.150 nan 0.000 0.492 280 A N -0.787 122.009 122.820 -0.041 0.000 2.517 280 A HA 0.533 4.854 4.320 0.000 0.000 0.297 280 A C -0.252 177.294 177.584 -0.062 0.000 1.050 280 A CA -0.372 51.618 52.037 -0.078 0.000 0.694 280 A CB 0.729 19.639 19.000 -0.150 0.000 1.277 280 A HN 0.061 nan 8.150 nan 0.000 0.400 281 D N 0.217 120.592 120.400 -0.041 0.000 2.183 281 D HA 0.020 4.660 4.640 0.000 0.000 0.205 281 D C -0.574 175.584 176.300 -0.236 0.000 0.962 281 D CA 1.851 55.796 54.000 -0.093 0.000 0.849 281 D CB 0.224 41.017 40.800 -0.011 0.000 0.978 281 D HN 0.574 nan 8.370 nan 0.000 0.488 282 Y N 0.710 120.922 120.300 -0.146 0.000 2.334 282 Y HA 0.309 4.860 4.550 0.001 0.000 0.336 282 Y C -0.125 175.605 175.900 -0.285 0.000 0.960 282 Y CA -0.890 57.069 58.100 -0.235 0.000 1.164 282 Y CB 1.402 39.600 38.460 -0.436 0.000 1.155 282 Y HN -0.184 nan 8.280 nan 0.000 0.478 283 L N 4.620 125.770 121.223 -0.122 0.000 2.350 283 L HA 0.425 4.765 4.340 0.000 0.000 0.275 283 L C -0.234 176.546 176.870 -0.151 0.000 1.099 283 L CA 0.105 54.863 54.840 -0.136 0.000 0.808 283 L CB 0.655 42.620 42.059 -0.156 0.000 1.149 283 L HN 0.640 nan 8.230 nan 0.000 0.442 284 M N 6.955 126.491 119.600 -0.107 0.000 3.003 284 M HA 0.299 4.779 4.480 0.000 0.000 0.221 284 M C -2.406 173.913 176.300 0.033 0.000 1.126 284 M CA -1.549 53.707 55.300 -0.072 0.000 0.778 284 M CB 0.751 33.288 32.600 -0.105 0.000 1.380 284 M HN 0.337 nan 8.290 nan 0.000 0.508 285 P HA 0.052 nan 4.420 nan 0.000 0.271 285 P C -1.032 176.373 177.300 0.176 0.000 1.218 285 P CA 0.177 63.216 63.100 -0.103 0.000 0.780 285 P CB 1.174 32.447 31.700 -0.712 0.000 0.901 286 D N 1.786 122.371 120.400 0.308 0.000 2.453 286 D HA 0.291 4.931 4.640 0.000 0.000 0.238 286 D C 1.194 177.805 176.300 0.518 0.000 1.088 286 D CA -0.627 53.674 54.000 0.501 0.000 0.854 286 D CB 1.545 42.655 40.800 0.516 0.000 1.076 286 D HN 0.262 nan 8.370 nan 0.000 0.533 287 A N 5.806 129.033 122.820 0.678 0.000 1.884 287 A HA -0.127 4.194 4.320 0.000 0.000 0.219 287 A C -0.668 177.045 177.584 0.215 0.000 1.197 287 A CA 1.415 53.683 52.037 0.386 0.000 0.637 287 A CB -1.284 17.716 19.000 0.000 0.000 0.827 287 A HN 0.488 nan 8.150 nan 0.000 0.450 288 P HA -0.133 nan 4.420 nan 0.000 0.215 288 P C 1.563 178.918 177.300 0.093 0.000 1.153 288 P CA 1.376 64.543 63.100 0.111 0.000 0.853 288 P CB -0.110 31.740 31.700 0.249 0.000 0.788 289 R N -0.427 120.154 120.500 0.134 0.000 2.115 289 R HA -0.043 4.297 4.340 0.000 0.000 0.226 289 R C 1.778 178.155 176.300 0.129 0.000 1.100 289 R CA 1.408 57.552 56.100 0.073 0.000 0.980 289 R CB -0.694 29.662 30.300 0.093 0.000 0.875 289 R HN 0.199 nan 8.270 nan 0.000 0.445 290 V N -3.474 116.555 119.914 0.191 0.000 3.649 290 V HA 0.398 4.518 4.120 0.000 0.000 0.275 290 V C 0.866 177.108 176.094 0.247 0.000 1.281 290 V CA 0.697 63.118 62.300 0.203 0.000 1.143 290 V CB 0.349 32.279 31.823 0.178 0.000 0.892 290 V HN 0.392 nan 8.190 nan 0.000 0.441 291 G N -1.577 107.376 108.800 0.256 0.000 2.143 291 G HA2 0.363 4.323 3.960 0.000 0.000 0.175 291 G HA3 0.363 4.323 3.960 0.000 0.000 0.175 291 G C 0.875 176.046 174.900 0.451 0.000 1.004 291 G CA -0.065 45.272 45.100 0.394 0.000 0.671 291 G HN 2.278 nan 8.290 nan 0.000 0.512 292 G N -1.264 107.693 108.800 0.261 0.000 2.498 292 G HA2 0.081 4.041 3.960 0.000 0.000 0.651 292 G HA3 0.081 4.041 3.960 0.000 0.000 0.651 292 G C 0.789 175.766 174.900 0.128 0.000 1.284 292 G CA -0.082 45.137 45.100 0.199 0.000 0.950 292 G HN 0.919 nan 8.290 nan 0.000 0.511 293 I N 0.561 121.150 120.570 0.032 0.000 2.252 293 I HA -0.136 4.034 4.170 0.000 0.000 0.245 293 I C 3.071 179.141 176.117 -0.078 0.000 1.102 293 I CA 2.175 63.372 61.300 -0.172 0.000 1.385 293 I CB -0.550 37.080 38.000 -0.617 0.000 1.064 293 I HN 0.690 nan 8.210 nan 0.000 0.414 294 T N 1.810 116.427 114.554 0.106 0.000 2.607 294 T HA -0.116 4.235 4.350 0.000 0.000 0.267 294 T C -0.409 174.212 174.700 -0.131 0.000 1.049 294 T CA 1.890 64.033 62.100 0.072 0.000 1.162 294 T CB -1.407 67.469 68.868 0.013 0.000 0.863 294 T HN 0.317 nan 8.240 nan 0.000 0.424 295 P HA -0.042 nan 4.420 nan 0.000 0.219 295 P C 1.435 178.688 177.300 -0.079 0.000 1.150 295 P CA 0.921 63.887 63.100 -0.224 0.000 0.814 295 P CB -0.244 31.341 31.700 -0.192 0.000 0.787 296 F N 1.097 120.969 119.950 -0.131 0.000 2.134 296 F HA -0.155 4.373 4.527 0.001 0.000 0.299 296 F C 2.221 177.943 175.800 -0.130 0.000 1.097 296 F CA 1.334 59.258 58.000 -0.127 0.000 1.264 296 F CB -0.709 38.238 39.000 -0.088 0.000 1.001 296 F HN -0.298 nan 8.300 nan 0.000 0.479 297 L N 0.046 121.345 121.223 0.127 0.000 2.131 297 L HA -0.218 4.122 4.340 0.000 0.000 0.210 297 L C 2.291 179.145 176.870 -0.027 0.000 1.092 297 L CA 1.436 56.312 54.840 0.059 0.000 0.759 297 L CB -0.649 41.412 42.059 0.003 0.000 0.903 297 L HN 0.085 nan 8.230 nan 0.000 0.435 298 K N 0.187 120.543 120.400 -0.073 0.000 2.097 298 K HA -0.079 4.241 4.320 0.000 0.000 0.205 298 K C 2.055 178.586 176.600 -0.115 0.000 1.050 298 K CA 1.107 57.344 56.287 -0.084 0.000 0.938 298 K CB -0.091 32.344 32.500 -0.108 0.000 0.718 298 K HN 0.226 nan 8.250 nan 0.000 0.442 299 I N 1.113 121.560 120.570 -0.204 0.000 2.202 299 I HA -0.259 3.911 4.170 0.000 0.000 0.242 299 I C 2.515 178.478 176.117 -0.258 0.000 1.091 299 I CA 1.077 62.210 61.300 -0.279 0.000 1.368 299 I CB -0.381 37.305 38.000 -0.524 0.000 1.058 299 I HN 0.129 nan 8.210 nan 0.000 0.410 300 A N 0.188 122.829 122.820 -0.300 0.000 1.940 300 A HA -0.209 4.111 4.320 0.000 0.000 0.219 300 A C 2.475 180.114 177.584 0.091 0.000 1.176 300 A CA 2.290 54.268 52.037 -0.099 0.000 0.631 300 A CB -0.726 18.290 19.000 0.027 0.000 0.814 300 A HN 0.414 nan 8.150 nan 0.000 0.446 301 S N -0.096 115.620 115.700 0.027 0.000 2.368 301 S HA -0.067 4.403 4.470 0.000 0.000 0.224 301 S C 1.810 176.438 174.600 0.048 0.000 1.029 301 S CA 1.377 59.601 58.200 0.040 0.000 0.988 301 S CB -0.429 62.776 63.200 0.008 0.000 0.838 301 S HN 0.521 nan 8.310 nan 0.000 0.462 302 L N 1.080 122.312 121.223 0.014 0.000 2.056 302 L HA -0.109 4.231 4.340 0.000 0.000 0.207 302 L C 2.831 179.744 176.870 0.072 0.000 1.078 302 L CA 1.172 56.035 54.840 0.038 0.000 0.749 302 L CB -0.741 41.316 42.059 -0.004 0.000 0.901 302 L HN 0.333 nan 8.230 nan 0.000 0.433 303 A N -0.145 122.700 122.820 0.042 0.000 1.877 303 A HA -0.257 4.063 4.320 0.000 0.000 0.216 303 A C 2.286 179.951 177.584 0.134 0.000 1.186 303 A CA 1.823 53.896 52.037 0.059 0.000 0.620 303 A CB -0.549 18.451 19.000 0.000 0.000 0.822 303 A HN 0.483 nan 8.150 nan 0.000 0.443 304 E N -0.872 119.436 120.200 0.180 0.000 2.058 304 E HA -0.333 4.017 4.350 0.000 0.000 0.194 304 E C 1.912 178.526 176.600 0.023 0.000 0.997 304 E CA 1.735 58.157 56.400 0.036 0.000 0.801 304 E CB -0.376 29.273 29.700 -0.085 0.000 0.746 304 E HN 0.767 nan 8.360 nan 0.000 0.450 305 H N 0.064 119.120 119.070 -0.023 0.000 2.352 305 H HA -0.065 4.491 4.556 0.000 0.000 0.299 305 H C 1.626 176.940 175.328 -0.024 0.000 1.097 305 H CA 2.263 58.295 56.048 -0.026 0.000 1.311 305 H CB -0.298 29.453 29.762 -0.019 0.000 1.377 305 H HN 0.244 nan 8.280 nan 0.000 0.504 306 A N -0.713 122.069 122.820 -0.063 0.000 2.206 306 A HA 0.244 4.565 4.320 0.000 0.000 0.211 306 A C 1.943 179.465 177.584 -0.103 0.000 1.158 306 A CA 0.946 52.916 52.037 -0.112 0.000 0.761 306 A CB -0.861 18.123 19.000 -0.028 0.000 0.801 306 A HN 0.849 nan 8.150 nan 0.000 0.473 307 G N -1.214 107.535 108.800 -0.084 0.000 2.147 307 G HA2 -0.213 3.748 3.960 0.000 0.000 0.244 307 G HA3 -0.213 3.748 3.960 0.000 0.000 0.244 307 G C 0.072 174.944 174.900 -0.047 0.000 1.005 307 G CA 0.426 45.482 45.100 -0.073 0.000 0.713 307 G HN 0.454 nan 8.290 nan 0.000 0.515 308 L N -0.916 120.299 121.223 -0.014 0.000 2.448 308 L HA 0.746 5.086 4.340 0.000 0.000 0.258 308 L C 1.232 178.103 176.870 0.001 0.000 1.104 308 L CA -0.936 53.877 54.840 -0.045 0.000 0.800 308 L CB 0.810 42.832 42.059 -0.061 0.000 1.241 308 L HN 0.133 nan 8.230 nan 0.000 0.472 309 M N 1.124 120.621 119.600 -0.172 0.000 2.654 309 M HA 0.451 4.931 4.480 0.000 0.000 0.310 309 M C -1.017 175.155 176.300 -0.214 0.000 1.211 309 M CA -0.723 54.465 55.300 -0.186 0.000 0.947 309 M CB 2.098 34.313 32.600 -0.642 0.000 1.647 309 M HN 0.235 nan 8.290 nan 0.000 0.481 310 L N 1.301 122.418 121.223 -0.178 0.000 2.365 310 L HA 0.773 5.114 4.340 0.000 0.000 0.273 310 L C -1.057 175.876 176.870 0.105 0.000 1.000 310 L CA -0.216 54.473 54.840 -0.252 0.000 0.819 310 L CB 1.813 43.402 42.059 -0.784 0.000 1.284 310 L HN 0.887 nan 8.230 nan 0.000 0.418 311 A N 5.853 128.696 122.820 0.038 0.000 3.300 311 A HA 0.604 4.924 4.320 0.000 0.000 0.300 311 A C -2.570 175.025 177.584 0.019 0.000 1.099 311 A CA -1.046 51.035 52.037 0.073 0.000 0.846 311 A CB 0.248 19.070 19.000 -0.296 0.000 1.255 311 A HN 0.465 nan 8.150 nan 0.000 0.519 312 P HA -0.064 nan 4.420 nan 0.000 0.266 312 P C -0.328 176.952 177.300 -0.033 0.000 1.186 312 P CA 0.628 63.642 63.100 -0.142 0.000 0.767 312 P CB 0.228 31.694 31.700 -0.391 0.000 0.820 313 H N 4.796 123.818 119.070 -0.080 0.000 2.488 313 H HA 0.296 4.852 4.556 0.001 0.000 0.322 313 H C 0.361 175.946 175.328 0.429 0.000 1.078 313 H CA -0.408 55.752 56.048 0.187 0.000 1.260 313 H CB 0.062 29.934 29.762 0.183 0.000 1.425 313 H HN 0.323 nan 8.280 nan 0.000 0.471 314 F N 2.613 122.388 119.950 -0.290 0.000 2.183 314 F HA -0.349 4.178 4.527 0.000 0.000 0.318 314 F C 0.604 176.518 175.800 0.190 0.000 0.129 314 F CA 1.644 59.531 58.000 -0.188 0.000 0.912 314 F CB -1.191 37.522 39.000 -0.479 0.000 4.135 314 F HN 0.900 nan 8.300 nan 0.000 0.137 315 A N 1.181 123.571 122.820 -0.717 0.000 2.151 315 A HA -0.208 4.112 4.320 0.000 0.000 0.271 315 A C 1.387 178.870 177.584 -0.168 0.000 1.348 315 A CA 1.847 53.610 52.037 -0.457 0.000 0.763 315 A CB -1.802 17.108 19.000 -0.148 0.000 1.117 315 A HN 1.559 nan 8.150 nan 0.000 0.342 316 M N -1.493 118.019 119.600 -0.145 0.000 2.202 316 M HA -0.179 4.301 4.480 0.000 0.000 0.262 316 M C 1.270 177.524 176.300 -0.077 0.000 1.063 316 M CA 2.370 57.633 55.300 -0.061 0.000 1.097 316 M CB -0.582 31.944 32.600 -0.125 0.000 1.382 316 M HN 0.423 nan 8.290 nan 0.000 0.413 317 E N 1.203 121.358 120.200 -0.076 0.000 2.267 317 E HA -0.131 4.220 4.350 0.000 0.000 0.197 317 E C 1.826 178.431 176.600 0.008 0.000 0.998 317 E CA 1.268 57.640 56.400 -0.045 0.000 0.830 317 E CB -0.211 29.454 29.700 -0.059 0.000 0.751 317 E HN 0.555 nan 8.360 nan 0.000 0.491 318 L N -0.900 120.291 121.223 -0.053 0.000 2.362 318 L HA 0.108 4.448 4.340 0.000 0.000 0.204 318 L C 1.603 178.363 176.870 -0.182 0.000 1.060 318 L CA 1.355 56.115 54.840 -0.134 0.000 0.827 318 L CB -0.255 41.592 42.059 -0.354 0.000 1.027 318 L HN 0.081 nan 8.230 nan 0.000 0.474 319 H N -0.814 118.200 119.070 -0.094 0.000 2.491 319 H HA -0.020 4.537 4.556 0.000 0.000 0.290 319 H C 2.380 177.657 175.328 -0.085 0.000 1.050 319 H CA 1.457 57.426 56.048 -0.133 0.000 1.309 319 H CB -0.313 29.412 29.762 -0.062 0.000 1.392 319 H HN 0.287 nan 8.280 nan 0.000 0.554 320 V N 1.231 121.143 119.914 -0.003 0.000 2.407 320 V HA -0.241 3.879 4.120 0.000 0.000 0.248 320 V C 2.273 178.294 176.094 -0.121 0.000 1.055 320 V CA 1.764 64.012 62.300 -0.086 0.000 1.049 320 V CB -0.303 31.404 31.823 -0.193 0.000 0.662 320 V HN 0.479 nan 8.190 nan 0.000 0.455 321 H N -0.328 118.720 119.070 -0.037 0.000 2.363 321 H HA -0.019 4.537 4.556 0.000 0.000 0.301 321 H C 2.306 177.610 175.328 -0.041 0.000 1.074 321 H CA 2.017 58.038 56.048 -0.044 0.000 1.354 321 H CB -0.171 29.541 29.762 -0.082 0.000 1.397 321 H HN 0.390 nan 8.280 nan 0.000 0.516 322 L N 0.223 121.465 121.223 0.032 0.000 2.093 322 L HA -0.102 4.238 4.340 0.000 0.000 0.208 322 L C 2.888 179.831 176.870 0.122 0.000 1.085 322 L CA 0.891 55.713 54.840 -0.029 0.000 0.755 322 L CB -0.489 41.348 42.059 -0.370 0.000 0.904 322 L HN 0.194 nan 8.230 nan 0.000 0.435 323 A N 0.129 123.021 122.820 0.119 0.000 1.930 323 A HA -0.090 4.231 4.320 0.000 0.000 0.217 323 A C 2.524 180.214 177.584 0.178 0.000 1.175 323 A CA 1.446 53.580 52.037 0.162 0.000 0.627 323 A CB -0.579 18.497 19.000 0.126 0.000 0.815 323 A HN 0.378 nan 8.150 nan 0.000 0.443 324 A N -0.359 122.539 122.820 0.129 0.000 2.019 324 A HA 0.213 4.533 4.320 0.000 0.000 0.219 324 A C 2.155 179.871 177.584 0.219 0.000 1.164 324 A CA 1.720 53.839 52.037 0.135 0.000 0.644 324 A CB -0.607 18.441 19.000 0.080 0.000 0.805 324 A HN 1.062 nan 8.150 nan 0.000 0.449 325 A N -2.433 120.527 122.820 0.234 0.000 2.275 325 A HA 0.362 4.682 4.320 0.000 0.000 0.212 325 A C 0.454 178.271 177.584 0.389 0.000 1.201 325 A CA -0.207 52.008 52.037 0.296 0.000 0.843 325 A CB -0.333 18.776 19.000 0.182 0.000 0.873 325 A HN 0.443 nan 8.150 nan 0.000 0.492 326 Y N 1.106 121.501 120.300 0.158 0.000 2.304 326 Y HA 0.336 4.886 4.550 0.000 0.000 0.328 326 Y C -1.426 174.291 175.900 -0.304 0.000 1.123 326 Y CA -2.199 55.905 58.100 0.006 0.000 1.218 326 Y CB 1.322 39.797 38.460 0.025 0.000 1.207 326 Y HN 0.069 nan 8.280 nan 0.000 0.495 327 P HA -0.141 nan 4.420 nan 0.000 0.217 327 P C -0.385 176.474 177.300 -0.735 0.000 1.150 327 P CA 1.442 63.685 63.100 -1.428 0.000 0.832 327 P CB 0.466 31.538 31.700 -1.046 0.000 0.787 328 R N 0.599 120.829 120.500 -0.450 0.000 2.474 328 R HA 0.259 4.599 4.340 0.000 0.000 0.295 328 R C 0.161 176.508 176.300 0.079 0.000 0.980 328 R CA -0.802 55.228 56.100 -0.115 0.000 0.934 328 R CB 0.653 30.936 30.300 -0.030 0.000 1.101 328 R HN -0.092 nan 8.270 nan 0.000 0.469 329 E N 4.631 124.854 120.200 0.039 0.000 2.729 329 E HA -0.042 4.308 4.350 0.000 0.000 0.246 329 E C -2.060 174.617 176.600 0.129 0.000 0.984 329 E CA -0.463 55.964 56.400 0.045 0.000 0.951 329 E CB 0.387 30.075 29.700 -0.020 0.000 0.914 329 E HN 0.230 nan 8.360 nan 0.000 0.509 330 P HA 0.411 nan 4.420 nan 0.000 0.292 330 P C -1.159 176.227 177.300 0.143 0.000 1.304 330 P CA -0.803 62.433 63.100 0.226 0.000 0.848 330 P CB 0.703 32.516 31.700 0.188 0.000 1.260 331 W N -1.075 120.386 121.300 0.269 0.000 2.883 331 W HA 0.514 5.174 4.660 0.000 0.000 0.335 331 W C -1.166 175.541 176.519 0.313 0.000 1.083 331 W CA -0.317 57.215 57.345 0.312 0.000 1.233 331 W CB 2.201 31.913 29.460 0.421 0.000 1.412 331 W HN -0.028 nan 8.180 nan 0.000 0.490 332 V N 2.013 122.225 119.914 0.497 0.000 2.656 332 V HA 0.289 4.409 4.120 0.000 0.000 0.307 332 V C -0.447 175.636 176.094 -0.018 0.000 1.051 332 V CA -1.244 61.203 62.300 0.244 0.000 0.893 332 V CB 1.770 33.665 31.823 0.121 0.000 0.999 332 V HN 0.527 nan 8.190 nan 0.000 0.426 333 E N 3.369 123.386 120.200 -0.305 0.000 2.283 333 E HA 0.208 4.559 4.350 0.000 0.000 0.278 333 E C -0.641 175.596 176.600 -0.605 0.000 1.027 333 E CA -0.529 55.315 56.400 -0.927 0.000 0.843 333 E CB 0.690 29.778 29.700 -1.019 0.000 1.062 333 E HN 0.789 nan 8.360 nan 0.000 0.401 334 H N 5.213 123.859 119.070 -0.707 0.000 2.604 334 H HA 0.226 4.783 4.556 0.000 0.000 0.306 334 H C -1.437 173.502 175.328 -0.648 0.000 1.075 334 H CA -0.076 55.689 56.048 -0.473 0.000 1.357 334 H CB 0.095 29.669 29.762 -0.313 0.000 1.426 334 H HN 0.412 nan 8.280 nan 0.000 0.470 335 F N 2.957 122.550 119.950 -0.594 0.000 2.563 335 F HA 0.138 4.666 4.527 0.000 0.000 0.316 335 F C 1.184 176.724 175.800 -0.434 0.000 1.076 335 F CA -0.770 56.927 58.000 -0.504 0.000 0.921 335 F CB 1.970 40.638 39.000 -0.553 0.000 1.209 335 F HN 0.562 nan 8.300 nan 0.000 0.462 336 E N 0.703 120.919 120.200 0.027 0.000 2.460 336 E HA -0.034 4.316 4.350 0.000 0.000 0.200 336 E C 1.292 178.034 176.600 0.237 0.000 1.011 336 E CA 0.321 56.793 56.400 0.121 0.000 0.912 336 E CB -0.253 29.568 29.700 0.201 0.000 0.953 336 E HN 0.627 nan 8.360 nan 0.000 0.494 337 W N 1.922 123.257 121.300 0.057 0.000 2.305 337 W HA -0.083 4.577 4.660 0.000 0.000 0.308 337 W C 2.040 178.499 176.519 -0.101 0.000 1.226 337 W CA 0.910 58.250 57.345 -0.008 0.000 1.253 337 W CB -0.919 28.559 29.460 0.031 0.000 1.146 337 W HN 0.079 nan 8.180 nan 0.000 0.507 338 L N -0.495 120.773 121.223 0.075 0.000 2.567 338 L HA 0.062 4.402 4.340 0.000 0.000 0.225 338 L C 1.962 178.763 176.870 -0.114 0.000 1.119 338 L CA 0.210 54.987 54.840 -0.106 0.000 0.871 338 L CB -0.623 41.309 42.059 -0.212 0.000 1.036 338 L HN -0.022 nan 8.230 nan 0.000 0.459 339 E N 1.122 121.324 120.200 0.003 0.000 2.086 339 E HA -0.236 4.114 4.350 0.000 0.000 0.200 339 E C -0.684 175.931 176.600 0.025 0.000 1.012 339 E CA 1.446 57.881 56.400 0.058 0.000 0.812 339 E CB -0.931 28.817 29.700 0.080 0.000 0.743 339 E HN 0.421 nan 8.360 nan 0.000 0.453 340 P HA -0.146 nan 4.420 nan 0.000 0.223 340 P C 0.924 178.283 177.300 0.098 0.000 1.144 340 P CA 1.028 64.197 63.100 0.114 0.000 0.783 340 P CB 0.009 31.815 31.700 0.176 0.000 0.771 341 L N -3.332 117.774 121.223 -0.196 0.000 2.313 341 L HA 0.012 4.352 4.340 0.000 0.000 0.214 341 L C 0.544 177.074 176.870 -0.567 0.000 1.119 341 L CA 0.609 55.191 54.840 -0.430 0.000 0.809 341 L CB -0.333 41.161 42.059 -0.942 0.000 0.933 341 L HN -0.077 nan 8.230 nan 0.000 0.449 342 F N -1.671 118.313 119.950 0.056 0.000 2.579 342 F HA 0.305 4.832 4.527 0.000 0.000 0.324 342 F C 1.027 176.838 175.800 0.020 0.000 1.058 342 F CA -1.245 56.764 58.000 0.015 0.000 0.944 342 F CB 0.800 39.804 39.000 0.006 0.000 1.245 342 F HN -0.287 nan 8.300 nan 0.000 0.477 343 N N -0.362 118.466 118.700 0.212 0.000 2.250 343 N HA -0.036 4.704 4.740 0.000 0.000 0.181 343 N C -0.370 175.208 175.510 0.113 0.000 1.017 343 N CA 0.584 53.704 53.050 0.117 0.000 0.866 343 N CB 0.025 38.557 38.487 0.075 0.000 0.985 343 N HN 0.538 nan 8.380 nan 0.000 0.429 344 E N 0.581 120.856 120.200 0.125 0.000 2.349 344 E HA 0.279 4.630 4.350 0.000 0.000 0.262 344 E C -0.114 176.546 176.600 0.100 0.000 1.088 344 E CA -0.088 56.364 56.400 0.086 0.000 0.899 344 E CB 0.810 30.539 29.700 0.049 0.000 1.044 344 E HN 0.000 nan 8.360 nan 0.000 0.420 345 R N 1.033 121.576 120.500 0.071 0.000 2.807 345 R HA 0.503 4.843 4.340 0.000 0.000 0.276 345 R C -0.317 176.013 176.300 0.049 0.000 0.979 345 R CA -0.785 55.358 56.100 0.072 0.000 0.928 345 R CB 1.306 31.650 30.300 0.073 0.000 1.191 345 R HN 0.549 nan 8.270 nan 0.000 0.471 346 I N 1.347 121.947 120.570 0.050 0.000 2.428 346 I HA 0.154 4.324 4.170 0.000 0.000 0.289 346 I C 0.729 176.883 176.117 0.061 0.000 1.019 346 I CA -0.124 61.197 61.300 0.034 0.000 1.351 346 I CB 1.039 39.045 38.000 0.011 0.000 1.412 346 I HN 0.326 nan 8.210 nan 0.000 0.513 347 E N 5.717 125.936 120.200 0.032 0.000 2.175 347 E HA 0.483 4.833 4.350 0.000 0.000 0.278 347 E C -1.364 175.244 176.600 0.015 0.000 0.969 347 E CA -0.765 55.650 56.400 0.023 0.000 0.796 347 E CB 1.403 31.108 29.700 0.009 0.000 1.104 347 E HN 0.314 nan 8.360 nan 0.000 0.395 348 I N 3.791 124.361 120.570 -0.001 0.000 2.509 348 I HA 0.448 4.618 4.170 0.000 0.000 0.293 348 I C -0.430 175.666 176.117 -0.035 0.000 1.020 348 I CA -0.367 60.917 61.300 -0.026 0.000 1.088 348 I CB 1.824 39.776 38.000 -0.079 0.000 1.267 348 I HN 0.456 nan 8.210 nan 0.000 0.430 349 R N 4.039 124.520 120.500 -0.033 0.000 2.536 349 R HA 0.283 4.623 4.340 0.000 0.000 0.269 349 R C -1.466 174.816 176.300 -0.030 0.000 1.113 349 R CA -0.825 55.257 56.100 -0.030 0.000 0.948 349 R CB 1.678 31.965 30.300 -0.022 0.000 1.237 349 R HN 0.644 nan 8.270 nan 0.000 0.441 350 D N 1.890 122.273 120.400 -0.028 0.000 2.686 350 D HA -0.195 4.445 4.640 0.000 0.000 0.235 350 D C 0.785 177.069 176.300 -0.026 0.000 1.160 350 D CA 1.988 55.973 54.000 -0.025 0.000 0.645 350 D CB -0.782 40.005 40.800 -0.023 0.000 1.039 350 D HN 1.099 nan 8.370 nan 0.000 0.423 351 G N -0.227 108.559 108.800 -0.023 0.000 2.155 351 G HA2 -0.363 3.598 3.960 0.000 0.000 0.257 351 G HA3 -0.363 3.598 3.960 0.000 0.000 0.257 351 G C 0.281 175.161 174.900 -0.034 0.000 0.983 351 G CA 0.650 45.744 45.100 -0.011 0.000 0.676 351 G HN 0.575 nan 8.290 nan 0.000 0.528 352 R N -0.965 119.510 120.500 -0.041 0.000 2.744 352 R HA 0.658 4.999 4.340 0.000 0.000 0.279 352 R C -0.295 175.986 176.300 -0.031 0.000 0.977 352 R CA -0.971 55.098 56.100 -0.052 0.000 0.906 352 R CB 1.633 31.894 30.300 -0.064 0.000 1.197 352 R HN 0.235 nan 8.270 nan 0.000 0.463 353 M N 3.505 123.091 119.600 -0.024 0.000 2.157 353 M HA 0.274 4.754 4.480 0.000 0.000 0.354 353 M C -0.876 175.406 176.300 -0.030 0.000 1.170 353 M CA -0.722 54.572 55.300 -0.011 0.000 1.060 353 M CB 0.699 33.300 32.600 0.003 0.000 1.615 353 M HN 0.320 nan 8.290 nan 0.000 0.460 354 L N 5.528 126.734 121.223 -0.028 0.000 2.367 354 L HA 0.255 4.595 4.340 0.000 0.000 0.275 354 L C -0.428 176.402 176.870 -0.067 0.000 1.129 354 L CA -0.085 54.733 54.840 -0.037 0.000 0.839 354 L CB 1.226 43.271 42.059 -0.023 0.000 1.133 354 L HN 0.506 nan 8.230 nan 0.000 0.453 355 V N 6.578 126.446 119.914 -0.076 0.000 2.470 355 V HA 0.134 4.254 4.120 0.000 0.000 0.276 355 V C -1.759 174.274 176.094 -0.101 0.000 1.040 355 V CA -1.279 60.937 62.300 -0.139 0.000 1.008 355 V CB 0.804 32.569 31.823 -0.096 0.000 0.990 355 V HN 0.697 nan 8.190 nan 0.000 0.477 356 P HA 0.082 nan 4.420 nan 0.000 0.267 356 P C 0.774 178.114 177.300 0.066 0.000 1.200 356 P CA 0.171 63.264 63.100 -0.011 0.000 0.772 356 P CB 0.409 32.125 31.700 0.027 0.000 0.855 357 T N -1.306 113.282 114.554 0.056 0.000 3.054 357 T HA 0.226 4.577 4.350 0.000 0.000 0.255 357 T C 0.656 175.391 174.700 0.058 0.000 1.035 357 T CA -0.298 61.836 62.100 0.058 0.000 0.941 357 T CB 0.013 68.901 68.868 0.033 0.000 1.026 357 T HN 0.155 nan 8.240 nan 0.000 0.533 358 R N 2.158 122.695 120.500 0.062 0.000 2.679 358 R HA 0.390 4.730 4.340 0.000 0.000 0.269 358 R C -2.670 173.657 176.300 0.045 0.000 1.076 358 R CA -1.663 54.466 56.100 0.047 0.000 1.160 358 R CB -0.341 29.984 30.300 0.042 0.000 1.054 358 R HN 0.164 nan 8.270 nan 0.000 0.507 359 P HA 0.003 nan 4.420 nan 0.000 0.269 359 P C 0.319 177.619 177.300 0.001 0.000 1.209 359 P CA 0.868 63.981 63.100 0.022 0.000 0.776 359 P CB 0.742 32.460 31.700 0.030 0.000 0.876 360 G N 1.750 110.537 108.800 -0.022 0.000 2.566 360 G HA2 -0.319 3.641 3.960 0.000 0.000 0.280 360 G HA3 -0.319 3.641 3.960 0.000 0.000 0.280 360 G C 0.794 175.573 174.900 -0.202 0.000 1.225 360 G CA 0.167 45.226 45.100 -0.068 0.000 0.966 360 G HN 0.483 nan 8.290 nan 0.000 0.560 361 L N 1.910 123.021 121.223 -0.187 0.000 2.395 361 L HA 0.299 4.639 4.340 0.000 0.000 0.218 361 L C 2.390 179.246 176.870 -0.024 0.000 1.130 361 L CA 1.159 55.856 54.840 -0.239 0.000 0.826 361 L CB -0.613 41.373 42.059 -0.120 0.000 0.941 361 L HN 2.069 nan 8.230 nan 0.000 0.451 362 G N 0.951 109.738 108.800 -0.021 0.000 2.198 362 G HA2 -0.268 3.693 3.960 0.000 0.000 0.257 362 G HA3 -0.268 3.693 3.960 0.000 0.000 0.257 362 G C -0.159 174.721 174.900 -0.033 0.000 1.042 362 G CA -0.048 45.059 45.100 0.012 0.000 0.791 362 G HN 0.247 nan 8.290 nan 0.000 0.502 363 L N 0.520 121.695 121.223 -0.080 0.000 2.365 363 L HA 0.823 5.164 4.340 0.000 0.000 0.273 363 L C 0.374 177.219 176.870 -0.042 0.000 1.000 363 L CA -0.481 54.261 54.840 -0.164 0.000 0.819 363 L CB 2.501 44.267 42.059 -0.489 0.000 1.284 363 L HN 0.351 nan 8.230 nan 0.000 0.418 364 T N -0.216 114.360 114.554 0.037 0.000 2.893 364 T HA 0.586 4.937 4.350 0.000 0.000 0.293 364 T C -0.445 174.344 174.700 0.148 0.000 1.027 364 T CA -0.842 61.302 62.100 0.073 0.000 0.988 364 T CB 1.430 70.327 68.868 0.048 0.000 1.043 364 T HN 0.315 nan 8.240 nan 0.000 0.461 365 L N 2.871 124.135 121.223 0.068 0.000 2.462 365 L HA 0.302 4.642 4.340 0.000 0.000 0.272 365 L C 1.259 178.115 176.870 -0.022 0.000 1.166 365 L CA -0.474 54.359 54.840 -0.013 0.000 0.880 365 L CB 0.841 42.775 42.059 -0.209 0.000 1.142 365 L HN 0.922 nan 8.230 nan 0.000 0.473 366 S N 2.427 118.112 115.700 -0.026 0.000 2.579 366 S HA 0.108 4.578 4.470 0.000 0.000 0.275 366 S C 1.410 175.938 174.600 -0.120 0.000 1.345 366 S CA -0.050 58.122 58.200 -0.047 0.000 1.031 366 S CB 1.429 64.606 63.200 -0.039 0.000 0.892 366 S HN 0.792 nan 8.310 nan 0.000 0.529 367 G N 2.056 110.786 108.800 -0.117 0.000 2.470 367 G HA2 -0.148 3.812 3.960 0.000 0.000 0.220 367 G HA3 -0.148 3.812 3.960 0.000 0.000 0.220 367 G C 1.258 176.001 174.900 -0.262 0.000 1.121 367 G CA 0.469 45.479 45.100 -0.150 0.000 0.766 367 G HN 0.840 nan 8.290 nan 0.000 0.553 368 Q N -0.075 119.504 119.800 -0.368 0.000 2.226 368 Q HA -0.052 4.288 4.340 0.000 0.000 0.204 368 Q C 2.725 178.089 176.000 -1.060 0.000 0.975 368 Q CA 0.903 56.256 55.803 -0.749 0.000 0.866 368 Q CB -0.194 28.006 28.738 -0.895 0.000 0.915 368 Q HN 0.435 nan 8.270 nan 0.000 0.440 369 V N 1.484 121.054 119.914 -0.575 0.000 2.453 369 V HA -0.300 3.820 4.120 0.000 0.000 0.252 369 V C 2.285 178.254 176.094 -0.208 0.000 1.068 369 V CA 1.942 64.093 62.300 -0.248 0.000 1.070 369 V CB -0.558 31.217 31.823 -0.081 0.000 0.664 369 V HN 0.269 nan 8.190 nan 0.000 0.461 370 K N 1.399 121.654 120.400 -0.242 0.000 2.074 370 K HA -0.205 4.116 4.320 0.000 0.000 0.209 370 K C 2.003 178.507 176.600 -0.159 0.000 1.048 370 K CA 2.066 58.263 56.287 -0.151 0.000 0.926 370 K CB -0.741 31.672 32.500 -0.144 0.000 0.713 370 K HN 0.431 nan 8.250 nan 0.000 0.444 371 A N -0.564 122.058 122.820 -0.330 0.000 2.014 371 A HA -0.072 4.248 4.320 0.000 0.000 0.218 371 A C 1.416 178.964 177.584 -0.060 0.000 1.163 371 A CA 1.194 53.072 52.037 -0.267 0.000 0.652 371 A CB -0.647 18.106 19.000 -0.411 0.000 0.808 371 A HN 0.518 nan 8.150 nan 0.000 0.449 372 W N 0.230 121.550 121.300 0.034 0.000 3.211 372 W HA 0.208 4.868 4.660 0.000 0.000 0.292 372 W C -0.167 176.406 176.519 0.091 0.000 1.268 372 W CA -0.110 57.270 57.345 0.059 0.000 1.702 372 W CB -1.285 28.213 29.460 0.064 0.000 1.092 372 W HN 0.033 nan 8.180 nan 0.000 0.643 373 T N 2.281 116.978 114.554 0.239 0.000 2.799 373 T HA 0.143 4.493 4.350 0.000 0.000 0.296 373 T C 1.292 176.058 174.700 0.110 0.000 0.947 373 T CA 0.231 62.440 62.100 0.181 0.000 1.141 373 T CB 1.274 70.217 68.868 0.124 0.000 0.891 373 T HN 0.029 nan 8.240 nan 0.000 0.533 374 R N 1.444 122.001 120.500 0.094 0.000 2.254 374 R HA 0.170 4.510 4.340 0.000 0.000 0.193 374 R C 0.321 176.558 176.300 -0.105 0.000 0.929 374 R CA 0.448 56.538 56.100 -0.017 0.000 1.038 374 R CB 0.692 30.937 30.300 -0.092 0.000 1.009 374 R HN 0.652 nan 8.270 nan 0.000 0.512 375 E N 0.597 120.676 120.200 -0.202 0.000 2.356 375 E HA 0.212 4.563 4.350 0.000 0.000 0.275 375 E C -1.261 175.164 176.600 -0.292 0.000 0.904 375 E CA -0.666 55.487 56.400 -0.411 0.000 0.757 375 E CB 2.599 31.656 29.700 -1.072 0.000 1.232 375 E HN 0.100 nan 8.360 nan 0.000 0.442 376 E N 0.382 120.578 120.200 -0.006 0.000 2.388 376 E HA 0.781 5.131 4.350 0.000 0.000 0.280 376 E C -1.777 175.015 176.600 0.320 0.000 1.019 376 E CA -1.142 55.395 56.400 0.228 0.000 0.806 376 E CB 1.808 31.596 29.700 0.146 0.000 1.246 376 E HN 0.513 nan 8.360 nan 0.000 0.443 377 A N 1.731 124.728 122.820 0.296 0.000 2.604 377 A HA 0.643 4.964 4.320 0.000 0.000 0.295 377 A C -1.625 175.998 177.584 0.064 0.000 1.067 377 A CA -0.602 51.541 52.037 0.176 0.000 0.683 377 A CB 1.975 21.071 19.000 0.161 0.000 1.281 377 A HN 0.777 nan 8.150 nan 0.000 0.407 378 Q N -0.225 119.586 119.800 0.018 0.000 2.511 378 Q HA 0.849 5.189 4.340 0.000 0.000 0.289 378 Q C -1.821 174.136 176.000 -0.072 0.000 1.021 378 Q CA -1.001 54.737 55.803 -0.110 0.000 0.785 378 Q CB 2.219 30.939 28.738 -0.030 0.000 1.472 378 Q HN 1.548 nan 8.270 nan 0.000 0.411 379 V N -0.067 119.745 119.914 -0.169 0.000 3.048 379 V HA 0.820 4.940 4.120 0.000 0.000 0.303 379 V C -0.301 175.800 176.094 0.012 0.000 1.214 379 V CA 0.810 63.082 62.300 -0.048 0.000 0.984 379 V CB 1.538 33.319 31.823 -0.070 0.000 1.054 379 V HN 1.452 nan 8.190 nan 0.000 0.430 380 G N 3.621 112.494 108.800 0.121 0.000 2.582 380 G HA2 0.235 4.195 3.960 0.000 0.000 0.222 380 G HA3 0.235 4.195 3.960 0.000 0.000 0.222 380 G C -0.247 174.846 174.900 0.321 0.000 1.311 380 G CA 0.172 45.389 45.100 0.196 0.000 0.915 380 G HN 2.194 nan 8.290 nan 0.000 0.528 381 T N -1.868 112.843 114.554 0.262 0.000 2.861 381 T HA 0.783 5.133 4.350 0.000 0.000 0.287 381 T C 0.351 175.074 174.700 0.039 0.000 1.003 381 T CA -0.545 61.639 62.100 0.140 0.000 0.977 381 T CB 2.045 70.951 68.868 0.063 0.000 0.996 381 T HN 0.851 nan 8.240 nan 0.000 0.448 382 R N 0.000 120.372 120.500 -0.214 0.000 2.786 382 R HA 0.000 4.340 4.340 0.000 0.000 0.208 382 R CA 0.000 55.885 56.100 -0.358 0.000 0.921 382 R CB 0.000 29.876 30.300 -0.707 0.000 0.687 382 R HN 0.000 nan 8.270 nan 0.000 0.535