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 2x0n_1_B DATA FIRST_RESID 1 DATA SEQUENCE TIKVGINGFG RIGRMVFQAL CDDGLLGNEI DVVAVVDMNT DARYFAYQMK DATA SEQUENCE YDSVHGKFKH SVSTTKSKPS VAKDDTLVVN GHRILCVKAQ RNPADLPWGK DATA SEQUENCE LGVEYVIEST GLFTVKSAAE GHLRGGARKV VISAPASGGA KTFVMGVNHN DATA SEQUENCE NYNPREQHVV SNASCTTNCL APLVHVLVKE GFGISTGLMT TVHSYTATQK DATA SEQUENCE TVDGVSVKDW RGGRAAALNI IPSTTGAAKA VGMVIPSTQG KLTGMAFRVP DATA SEQUENCE TADVSVVDLT FIATRDTSIK EIDAALKRAS KTYMKNILGY TDEELVSADF DATA SEQUENCE ISDSRSSIYD SKATLQNNLP NERRFFKIVS WYDNEWGYSH RVVDLVRHMA DATA SEQUENCE ARDRAAKL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.692 174.700 -0.014 0.000 1.109 1 T CA 0.000 61.978 62.100 -0.204 0.000 1.349 1 T CB 0.000 68.614 68.868 -0.424 0.000 0.612 2 I N 1.335 121.895 120.570 -0.016 0.000 4.883 2 I HA -0.291 3.879 4.170 0.001 0.000 0.039 2 I C -0.478 175.666 176.117 0.046 0.000 0.634 2 I CA 2.092 63.405 61.300 0.022 0.000 0.314 2 I CB -0.499 37.522 38.000 0.035 0.000 0.379 2 I HN 0.276 nan 8.210 nan 0.000 0.151 3 K N 1.517 121.965 120.400 0.080 0.000 2.338 3 K HA 0.553 4.874 4.320 0.001 0.000 0.290 3 K C -1.091 175.551 176.600 0.071 0.000 1.069 3 K CA 0.148 56.474 56.287 0.065 0.000 0.941 3 K CB 0.663 33.189 32.500 0.043 0.000 1.023 3 K HN 0.259 nan 8.250 nan 0.000 0.477 4 V N 1.884 121.819 119.914 0.035 0.000 2.735 4 V HA 0.737 4.857 4.120 0.001 0.000 0.310 4 V C 0.341 176.417 176.094 -0.029 0.000 1.061 4 V CA -0.989 61.312 62.300 0.001 0.000 0.913 4 V CB 2.256 34.078 31.823 -0.002 0.000 1.005 4 V HN 0.790 nan 8.190 nan 0.000 0.428 5 G N 3.376 112.084 108.800 -0.154 0.000 2.482 5 G HA2 0.804 4.764 3.960 0.001 0.000 0.317 5 G HA3 0.804 4.764 3.960 0.001 0.000 0.317 5 G C -1.294 173.579 174.900 -0.045 0.000 1.241 5 G CA -0.583 44.426 45.100 -0.151 0.000 0.967 5 G HN 0.577 nan 8.290 nan 0.000 0.482 6 I N 1.666 122.340 120.570 0.173 0.000 2.447 6 I HA 0.254 4.425 4.170 0.001 0.000 0.287 6 I C -0.809 175.498 176.117 0.317 0.000 1.023 6 I CA -0.926 60.501 61.300 0.212 0.000 1.083 6 I CB 2.226 40.384 38.000 0.264 0.000 1.245 6 I HN 0.304 nan 8.210 nan 0.000 0.434 7 N N 5.518 124.383 118.700 0.275 0.000 2.589 7 N HA 0.433 5.174 4.740 0.001 0.000 0.232 7 N C -0.264 175.404 175.510 0.263 0.000 1.015 7 N CA 0.160 53.404 53.050 0.322 0.000 0.931 7 N CB 1.430 40.137 38.487 0.367 0.000 1.150 7 N HN 0.933 nan 8.380 nan 0.000 0.512 8 G N 2.955 111.920 108.800 0.275 0.000 3.380 8 G HA2 -0.187 3.774 3.960 0.001 0.000 0.685 8 G HA3 -0.187 3.774 3.960 0.001 0.000 0.685 8 G C -1.010 174.031 174.900 0.235 0.000 1.136 8 G CA -0.825 44.416 45.100 0.234 0.000 1.011 8 G HN 0.479 nan 8.290 nan 0.000 0.471 9 F N 3.458 123.445 119.950 0.061 0.000 2.434 9 F HA 0.613 5.140 4.527 0.001 0.000 0.316 9 F C 0.751 176.496 175.800 -0.091 0.000 1.222 9 F CA 0.222 58.225 58.000 0.005 0.000 1.207 9 F CB 0.591 39.620 39.000 0.050 0.000 1.466 9 F HN 0.809 nan 8.300 nan 0.000 0.545 10 G N 1.885 110.571 108.800 -0.190 0.000 2.706 10 G HA2 0.434 4.394 3.960 0.001 0.000 0.297 10 G HA3 0.434 4.394 3.960 0.001 0.000 0.297 10 G C -0.152 174.654 174.900 -0.157 0.000 1.403 10 G CA -0.710 44.274 45.100 -0.194 0.000 0.954 10 G HN 0.225 nan 8.290 nan 0.000 0.500 11 R N -0.417 120.005 120.500 -0.130 0.000 1.302 11 R HA -0.277 4.063 4.340 0.001 0.000 0.040 11 R C 1.750 178.029 176.300 -0.035 0.000 0.959 11 R CA 2.287 58.364 56.100 -0.039 0.000 1.644 11 R CB -1.436 28.873 30.300 0.016 0.000 0.352 11 R HN 0.501 nan 8.270 nan 0.000 0.620 12 I N -0.157 120.398 120.570 -0.024 0.000 2.339 12 I HA -0.049 4.122 4.170 0.001 0.000 0.245 12 I C 2.579 178.662 176.117 -0.056 0.000 1.096 12 I CA 1.984 63.287 61.300 0.005 0.000 1.408 12 I CB -1.622 36.409 38.000 0.051 0.000 1.092 12 I HN 0.528 nan 8.210 nan 0.000 0.423 13 G N 0.510 109.251 108.800 -0.099 0.000 2.443 13 G HA2 -0.190 3.771 3.960 0.001 0.000 0.219 13 G HA3 -0.190 3.771 3.960 0.001 0.000 0.219 13 G C 1.884 176.541 174.900 -0.406 0.000 1.131 13 G CA 0.175 45.183 45.100 -0.153 0.000 0.775 13 G HN 0.287 nan 8.290 nan 0.000 0.547 14 R N -0.814 119.364 120.500 -0.536 0.000 2.080 14 R HA 0.126 4.466 4.340 0.001 0.000 0.222 14 R C 2.561 178.704 176.300 -0.262 0.000 1.107 14 R CA 0.719 56.442 56.100 -0.629 0.000 0.980 14 R CB -0.257 29.700 30.300 -0.572 0.000 0.879 14 R HN 0.248 nan 8.270 nan 0.000 0.439 15 M N 0.388 119.883 119.600 -0.175 0.000 2.229 15 M HA -0.094 4.386 4.480 0.001 0.000 0.264 15 M C 2.314 178.471 176.300 -0.239 0.000 1.063 15 M CA 1.255 56.452 55.300 -0.172 0.000 1.114 15 M CB -0.656 31.880 32.600 -0.106 0.000 1.387 15 M HN -0.056 nan 8.290 nan 0.000 0.420 16 V N -0.240 119.575 119.914 -0.164 0.000 2.307 16 V HA -0.259 3.861 4.120 0.001 0.000 0.245 16 V C 2.218 178.227 176.094 -0.141 0.000 1.045 16 V CA 1.591 63.790 62.300 -0.168 0.000 1.024 16 V CB -0.903 30.867 31.823 -0.089 0.000 0.651 16 V HN 0.285 nan 8.190 nan 0.000 0.449 17 F N 0.953 120.797 119.950 -0.177 0.000 2.065 17 F HA -0.323 4.204 4.527 0.001 0.000 0.298 17 F C 2.659 178.378 175.800 -0.134 0.000 1.112 17 F CA 2.526 60.464 58.000 -0.104 0.000 1.212 17 F CB -0.348 38.657 39.000 0.009 0.000 0.975 17 F HN 0.142 nan 8.300 nan 0.000 0.476 18 Q N 0.205 120.013 119.800 0.013 0.000 2.135 18 Q HA -0.216 4.125 4.340 0.001 0.000 0.204 18 Q C 2.232 178.097 176.000 -0.225 0.000 0.981 18 Q CA 1.738 57.532 55.803 -0.013 0.000 0.856 18 Q CB -0.396 28.380 28.738 0.063 0.000 0.902 18 Q HN 0.545 nan 8.270 nan 0.000 0.425 19 A N 0.893 123.454 122.820 -0.432 0.000 1.851 19 A HA -0.210 4.110 4.320 0.001 0.000 0.216 19 A C 2.021 179.293 177.584 -0.520 0.000 1.195 19 A CA 1.808 53.427 52.037 -0.696 0.000 0.622 19 A CB -1.060 17.303 19.000 -1.062 0.000 0.831 19 A HN 0.567 nan 8.150 nan 0.000 0.444 20 L N -1.530 119.417 121.223 -0.460 0.000 2.261 20 L HA -0.104 4.236 4.340 0.001 0.000 0.216 20 L C 2.366 179.017 176.870 -0.364 0.000 1.114 20 L CA 1.850 56.463 54.840 -0.379 0.000 0.777 20 L CB -1.751 40.100 42.059 -0.347 0.000 0.910 20 L HN 0.404 nan 8.230 nan 0.000 0.440 21 C N 0.378 119.426 119.300 -0.420 0.000 2.518 21 C HA -0.076 4.384 4.460 0.001 0.000 0.279 21 C C 2.546 177.369 174.990 -0.280 0.000 1.279 21 C CA 1.001 59.765 59.018 -0.422 0.000 1.703 21 C CB -0.789 26.661 27.740 -0.484 0.000 2.072 21 C HN 0.660 nan 8.230 nan 0.000 0.487 22 D N 0.581 120.892 120.400 -0.148 0.000 2.144 22 D HA -0.103 4.538 4.640 0.001 0.000 0.199 22 D C 1.107 177.403 176.300 -0.007 0.000 0.984 22 D CA 1.351 55.366 54.000 0.025 0.000 0.834 22 D CB -0.570 40.316 40.800 0.142 0.000 0.955 22 D HN 0.553 nan 8.370 nan 0.000 0.465 23 D N 0.081 120.431 120.400 -0.084 0.000 2.332 23 D HA 0.132 4.772 4.640 0.001 0.000 0.244 23 D C 0.641 176.887 176.300 -0.090 0.000 1.136 23 D CA 0.183 54.139 54.000 -0.073 0.000 0.884 23 D CB -0.345 40.383 40.800 -0.120 0.000 0.906 23 D HN 0.129 nan 8.370 nan 0.000 0.520 24 G N 1.052 109.791 108.800 -0.102 0.000 2.220 24 G HA2 -0.231 3.730 3.960 0.001 0.000 0.248 24 G HA3 -0.231 3.730 3.960 0.001 0.000 0.248 24 G C 0.462 175.292 174.900 -0.117 0.000 0.791 24 G CA 0.124 45.162 45.100 -0.103 0.000 1.197 24 G HN 0.394 nan 8.290 nan 0.000 0.336 25 L N 1.090 122.213 121.223 -0.166 0.000 3.500 25 L HA 0.336 4.676 4.340 0.001 0.000 0.320 25 L C 0.811 177.581 176.870 -0.167 0.000 1.205 25 L CA -0.346 54.405 54.840 -0.148 0.000 1.117 25 L CB 0.396 42.360 42.059 -0.158 0.000 1.542 25 L HN 0.428 nan 8.230 nan 0.000 0.622 26 L N 1.852 122.927 121.223 -0.247 0.000 2.385 26 L HA 0.551 4.891 4.340 0.001 0.000 0.281 26 L C 1.166 177.897 176.870 -0.231 0.000 1.106 26 L CA 0.918 55.579 54.840 -0.299 0.000 0.856 26 L CB 0.018 41.786 42.059 -0.484 0.000 1.186 26 L HN 0.341 nan 8.230 nan 0.000 0.453 27 G N 3.211 112.027 108.800 0.027 0.000 2.141 27 G HA2 -0.311 3.649 3.960 0.001 0.000 0.231 27 G HA3 -0.311 3.649 3.960 0.001 0.000 0.231 27 G C 0.543 175.536 174.900 0.156 0.000 0.984 27 G CA 0.474 45.754 45.100 0.300 0.000 0.660 27 G HN 0.675 nan 8.290 nan 0.000 0.525 28 N N -0.645 118.084 118.700 0.049 0.000 2.474 28 N HA 0.293 5.034 4.740 0.001 0.000 0.224 28 N C 1.404 176.913 175.510 -0.001 0.000 1.092 28 N CA 0.911 53.974 53.050 0.021 0.000 0.844 28 N CB 0.228 38.716 38.487 0.001 0.000 1.381 28 N HN 0.411 nan 8.380 nan 0.000 0.458 29 E N -0.607 119.580 120.200 -0.022 0.000 3.155 29 E HA 0.378 4.728 4.350 0.001 0.000 0.208 29 E C -0.523 176.047 176.600 -0.049 0.000 1.060 29 E CA 0.031 56.406 56.400 -0.040 0.000 1.522 29 E CB 0.993 30.656 29.700 -0.061 0.000 1.433 29 E HN -0.013 nan 8.360 nan 0.000 0.709 30 I N 1.383 121.914 120.570 -0.066 0.000 2.525 30 I HA 0.342 4.512 4.170 0.001 0.000 0.301 30 I C -0.954 175.146 176.117 -0.028 0.000 0.992 30 I CA -0.695 60.564 61.300 -0.068 0.000 1.162 30 I CB 1.692 39.621 38.000 -0.118 0.000 1.332 30 I HN 0.001 nan 8.210 nan 0.000 0.458 31 D N 4.553 124.955 120.400 0.005 0.000 2.363 31 D HA 0.234 4.874 4.640 0.001 0.000 0.258 31 D C -0.909 175.433 176.300 0.070 0.000 1.259 31 D CA -0.300 53.732 54.000 0.053 0.000 0.921 31 D CB 1.198 42.032 40.800 0.057 0.000 1.201 31 D HN 0.089 nan 8.370 nan 0.000 0.524 32 V N 3.956 123.927 119.914 0.093 0.000 2.425 32 V HA 0.027 4.148 4.120 0.001 0.000 0.276 32 V C 1.572 177.758 176.094 0.154 0.000 1.017 32 V CA -0.009 62.382 62.300 0.152 0.000 1.062 32 V CB 0.944 32.936 31.823 0.282 0.000 0.997 32 V HN 0.421 nan 8.190 nan 0.000 0.476 33 V N 4.508 124.496 119.914 0.124 0.000 2.374 33 V HA 0.295 4.415 4.120 0.001 0.000 0.241 33 V C 0.933 177.092 176.094 0.110 0.000 1.034 33 V CA 1.628 63.994 62.300 0.111 0.000 1.037 33 V CB 0.243 32.133 31.823 0.111 0.000 0.682 33 V HN 0.919 nan 8.190 nan 0.000 0.463 34 A N -0.463 122.443 122.820 0.144 0.000 2.572 34 A HA 0.733 5.053 4.320 0.001 0.000 0.295 34 A C -1.076 176.602 177.584 0.157 0.000 1.072 34 A CA -0.157 51.956 52.037 0.126 0.000 0.691 34 A CB 2.035 21.136 19.000 0.168 0.000 1.291 34 A HN 0.542 nan 8.150 nan 0.000 0.404 35 V N -1.100 118.846 119.914 0.053 0.000 3.001 35 V HA 0.957 5.078 4.120 0.001 0.000 0.314 35 V C -0.418 175.724 176.094 0.081 0.000 1.099 35 V CA -0.644 61.716 62.300 0.099 0.000 0.989 35 V CB 1.197 32.974 31.823 -0.077 0.000 1.040 35 V HN 2.092 nan 8.190 nan 0.000 0.434 36 V N 0.875 120.908 119.914 0.198 0.000 2.733 36 V HA 0.910 5.031 4.120 0.001 0.000 0.306 36 V C -1.283 174.964 176.094 0.254 0.000 1.084 36 V CA 0.260 62.660 62.300 0.166 0.000 0.905 36 V CB 1.402 33.287 31.823 0.104 0.000 1.010 36 V HN 1.316 nan 8.190 nan 0.000 0.424 37 D N 3.517 124.078 120.400 0.269 0.000 3.057 37 D HA 0.455 5.095 4.640 0.001 0.000 0.328 37 D C 0.102 176.527 176.300 0.209 0.000 1.317 37 D CA -0.624 53.534 54.000 0.263 0.000 0.973 37 D CB 1.364 42.334 40.800 0.283 0.000 1.424 37 D HN 0.533 nan 8.370 nan 0.000 0.569 38 M N 1.973 121.677 119.600 0.173 0.000 3.484 38 M HA 0.213 4.694 4.480 0.001 0.000 0.196 38 M C -0.306 176.091 176.300 0.162 0.000 1.359 38 M CA 0.364 55.749 55.300 0.141 0.000 1.510 38 M CB -2.051 30.619 32.600 0.116 0.000 1.284 38 M HN 0.420 nan 8.290 nan 0.000 0.463 39 N N -0.259 118.556 118.700 0.192 0.000 3.419 39 N HA -0.031 4.709 4.740 0.001 0.000 0.276 39 N C -0.756 174.867 175.510 0.189 0.000 1.262 39 N CA -0.027 53.136 53.050 0.189 0.000 0.737 39 N CB 0.129 38.752 38.487 0.227 0.000 1.661 39 N HN -0.008 nan 8.380 nan 0.000 0.337 40 T N -3.428 111.204 114.554 0.129 0.000 3.769 40 T HA 0.192 4.543 4.350 0.001 0.000 0.317 40 T C -1.056 173.632 174.700 -0.019 0.000 0.931 40 T CA -0.342 61.740 62.100 -0.029 0.000 1.005 40 T CB -0.149 68.686 68.868 -0.056 0.000 1.202 40 T HN 0.516 nan 8.240 nan 0.000 0.501 41 D N 1.958 122.436 120.400 0.130 0.000 2.352 41 D HA 0.573 5.213 4.640 0.001 0.000 0.245 41 D C 1.238 177.644 176.300 0.178 0.000 1.224 41 D CA -0.252 53.837 54.000 0.150 0.000 0.879 41 D CB 1.218 42.150 40.800 0.219 0.000 1.057 41 D HN 0.326 nan 8.370 nan 0.000 0.491 42 A N 4.698 127.520 122.820 0.002 0.000 2.119 42 A HA -0.085 4.235 4.320 0.001 0.000 0.216 42 A C 1.936 179.591 177.584 0.118 0.000 1.152 42 A CA 0.670 52.656 52.037 -0.085 0.000 0.708 42 A CB -0.000 18.907 19.000 -0.154 0.000 0.805 42 A HN 0.584 nan 8.150 nan 0.000 0.460 43 R N -2.234 118.370 120.500 0.173 0.000 2.127 43 R HA -0.005 4.335 4.340 0.001 0.000 0.217 43 R C 1.958 178.470 176.300 0.353 0.000 1.074 43 R CA 1.062 57.291 56.100 0.216 0.000 0.991 43 R CB -0.428 29.968 30.300 0.159 0.000 0.895 43 R HN 0.524 nan 8.270 nan 0.000 0.450 44 Y N 1.140 121.580 120.300 0.233 0.000 2.242 44 Y HA -0.142 4.409 4.550 0.001 0.000 0.291 44 Y C 1.672 177.743 175.900 0.286 0.000 1.137 44 Y CA 0.659 58.912 58.100 0.254 0.000 1.181 44 Y CB -0.381 38.191 38.460 0.185 0.000 0.989 44 Y HN -0.145 nan 8.280 nan 0.000 0.527 45 F N -0.165 119.801 119.950 0.027 0.000 2.095 45 F HA -0.216 4.311 4.527 0.001 0.000 0.298 45 F C 2.671 178.453 175.800 -0.030 0.000 1.104 45 F CA 1.715 59.658 58.000 -0.095 0.000 1.232 45 F CB -1.250 37.611 39.000 -0.232 0.000 0.987 45 F HN 0.091 nan 8.300 nan 0.000 0.475 46 A N -1.042 121.916 122.820 0.230 0.000 1.898 46 A HA -0.251 4.069 4.320 0.001 0.000 0.216 46 A C 2.090 179.779 177.584 0.174 0.000 1.181 46 A CA 1.518 53.650 52.037 0.158 0.000 0.620 46 A CB -1.522 17.576 19.000 0.164 0.000 0.819 46 A HN 0.485 nan 8.150 nan 0.000 0.442 47 Y N 0.788 121.189 120.300 0.169 0.000 2.114 47 Y HA -0.285 4.266 4.550 0.001 0.000 0.282 47 Y C 2.441 178.438 175.900 0.161 0.000 1.165 47 Y CA 2.368 60.609 58.100 0.235 0.000 1.148 47 Y CB -0.535 38.116 38.460 0.319 0.000 0.972 47 Y HN 0.446 nan 8.280 nan 0.000 0.504 48 Q N -0.752 118.992 119.800 -0.094 0.000 2.226 48 Q HA -0.221 4.119 4.340 0.001 0.000 0.204 48 Q C 2.372 178.248 176.000 -0.206 0.000 0.975 48 Q CA 1.716 57.361 55.803 -0.263 0.000 0.866 48 Q CB -0.156 28.389 28.738 -0.322 0.000 0.915 48 Q HN 0.595 nan 8.270 nan 0.000 0.440 49 M N -0.046 119.465 119.600 -0.147 0.000 2.435 49 M HA -0.066 4.414 4.480 0.001 0.000 0.265 49 M C 1.274 177.394 176.300 -0.301 0.000 1.104 49 M CA 1.088 56.238 55.300 -0.249 0.000 1.140 49 M CB 0.360 32.805 32.600 -0.258 0.000 1.372 49 M HN -0.025 nan 8.290 nan 0.000 0.456 50 K N -0.989 119.273 120.400 -0.230 0.000 2.262 50 K HA 0.023 4.343 4.320 0.001 0.000 0.200 50 K C -0.530 175.752 176.600 -0.530 0.000 1.049 50 K CA 0.593 56.688 56.287 -0.320 0.000 0.979 50 K CB 0.383 32.612 32.500 -0.451 0.000 0.773 50 K HN 0.176 nan 8.250 nan 0.000 0.474 51 Y N 0.875 121.112 120.300 -0.105 0.000 2.331 51 Y HA 0.308 4.859 4.550 0.001 0.000 0.334 51 Y C -0.658 175.175 175.900 -0.112 0.000 0.960 51 Y CA -1.471 56.569 58.100 -0.101 0.000 1.130 51 Y CB 1.573 39.934 38.460 -0.165 0.000 1.164 51 Y HN -0.103 nan 8.280 nan 0.000 0.458 52 D N 1.076 121.544 120.400 0.113 0.000 2.787 52 D HA 0.218 4.859 4.640 0.001 0.000 0.246 52 D C -0.000 176.343 176.300 0.071 0.000 1.150 52 D CA -0.190 53.858 54.000 0.080 0.000 0.864 52 D CB 2.198 43.070 40.800 0.120 0.000 1.481 52 D HN 0.531 nan 8.370 nan 0.000 0.509 53 S N 1.512 117.239 115.700 0.044 0.000 2.447 53 S HA -0.054 4.416 4.470 0.001 0.000 0.233 53 S C 1.593 176.177 174.600 -0.026 0.000 1.006 53 S CA 0.419 58.633 58.200 0.022 0.000 0.957 53 S CB 0.511 63.728 63.200 0.028 0.000 0.773 53 S HN 0.425 nan 8.310 nan 0.000 0.507 54 V N -0.120 119.751 119.914 -0.072 0.000 2.854 54 V HA 0.096 4.216 4.120 0.001 0.000 0.236 54 V C 1.555 177.485 176.094 -0.273 0.000 1.157 54 V CA 0.549 62.717 62.300 -0.220 0.000 1.187 54 V CB -0.199 31.400 31.823 -0.373 0.000 0.949 54 V HN 0.425 nan 8.190 nan 0.000 0.488 55 H N 0.347 119.392 119.070 -0.042 0.000 2.551 55 H HA 0.403 4.959 4.556 0.001 0.000 0.266 55 H C 1.184 176.478 175.328 -0.058 0.000 0.964 55 H CA 1.068 57.051 56.048 -0.107 0.000 1.180 55 H CB 0.496 30.211 29.762 -0.077 0.000 1.408 55 H HN 0.513 nan 8.280 nan 0.000 0.563 56 G N 1.125 109.982 108.800 0.094 0.000 2.631 56 G HA2 -0.200 3.761 3.960 0.001 0.000 0.504 56 G HA3 -0.200 3.761 3.960 0.001 0.000 0.504 56 G C -0.893 174.084 174.900 0.128 0.000 1.306 56 G CA -0.841 44.312 45.100 0.088 0.000 0.897 56 G HN 0.197 nan 8.290 nan 0.000 0.520 57 K N -0.491 119.976 120.400 0.112 0.000 2.298 57 K HA 0.430 4.750 4.320 0.001 0.000 0.280 57 K C 0.066 176.757 176.600 0.153 0.000 1.032 57 K CA -0.472 55.870 56.287 0.092 0.000 0.958 57 K CB 0.813 33.353 32.500 0.065 0.000 0.978 57 K HN 0.370 nan 8.250 nan 0.000 0.472 58 F N 3.147 123.077 119.950 -0.033 0.000 2.571 58 F HA -0.048 4.479 4.527 0.001 0.000 0.384 58 F C 0.773 176.591 175.800 0.029 0.000 1.058 58 F CA -0.073 57.958 58.000 0.051 0.000 1.200 58 F CB 0.464 39.492 39.000 0.048 0.000 1.077 58 F HN 0.306 nan 8.300 nan 0.000 0.558 59 K N 6.219 126.448 120.400 -0.285 0.000 2.911 59 K HA 0.116 4.436 4.320 0.001 0.000 0.239 59 K C -0.460 175.590 176.600 -0.917 0.000 1.090 59 K CA 0.209 56.212 56.287 -0.472 0.000 1.225 59 K CB -0.701 31.546 32.500 -0.422 0.000 1.087 59 K HN 0.619 nan 8.250 nan 0.000 0.464 60 H N -1.386 117.318 119.070 -0.610 0.000 3.008 60 H HA 0.179 4.735 4.556 0.001 0.000 0.354 60 H C -0.488 174.751 175.328 -0.148 0.000 1.252 60 H CA -0.782 54.975 56.048 -0.485 0.000 1.117 60 H CB 1.766 31.027 29.762 -0.835 0.000 1.857 60 H HN 0.021 nan 8.280 nan 0.000 0.547 61 S N 1.044 116.813 115.700 0.115 0.000 2.465 61 S HA 0.470 4.940 4.470 0.001 0.000 0.279 61 S C 0.073 174.806 174.600 0.221 0.000 1.201 61 S CA -0.721 57.563 58.200 0.140 0.000 1.053 61 S CB 0.496 63.757 63.200 0.102 0.000 0.953 61 S HN 0.326 nan 8.310 nan 0.000 0.488 62 V N 2.294 122.342 119.914 0.224 0.000 2.513 62 V HA 0.854 4.974 4.120 0.001 0.000 0.299 62 V C 0.210 176.396 176.094 0.152 0.000 1.035 62 V CA -0.597 61.836 62.300 0.221 0.000 0.889 62 V CB 1.473 33.437 31.823 0.234 0.000 0.988 62 V HN 0.957 nan 8.190 nan 0.000 0.440 63 S N 1.804 117.581 115.700 0.129 0.000 2.537 63 S HA 0.805 5.275 4.470 0.001 0.000 0.271 63 S C -0.513 174.130 174.600 0.072 0.000 1.148 63 S CA -0.186 58.072 58.200 0.098 0.000 0.868 63 S CB 2.152 65.407 63.200 0.092 0.000 1.115 63 S HN 1.148 nan 8.310 nan 0.000 0.461 64 T N 0.352 114.941 114.554 0.058 0.000 2.916 64 T HA 0.934 5.285 4.350 0.001 0.000 0.292 64 T C -0.502 174.212 174.700 0.023 0.000 1.064 64 T CA -0.563 61.556 62.100 0.032 0.000 1.011 64 T CB 1.726 70.615 68.868 0.034 0.000 1.152 64 T HN 0.600 nan 8.240 nan 0.000 0.510 65 T N 0.198 114.754 114.554 0.004 0.000 2.658 65 T HA 0.500 4.850 4.350 0.001 0.000 0.305 65 T C -1.715 172.977 174.700 -0.013 0.000 1.551 65 T CA -1.242 60.859 62.100 0.002 0.000 0.985 65 T CB 1.497 70.368 68.868 0.005 0.000 1.731 65 T HN 1.024 nan 8.240 nan 0.000 0.486 66 K N 0.158 120.551 120.400 -0.011 0.000 2.270 66 K HA 0.709 5.029 4.320 0.001 0.000 0.255 66 K C 1.155 177.744 176.600 -0.018 0.000 0.936 66 K CA -0.634 55.641 56.287 -0.019 0.000 0.809 66 K CB 1.809 34.301 32.500 -0.013 0.000 1.131 66 K HN 0.562 nan 8.250 nan 0.000 0.427 67 S N 2.884 118.569 115.700 -0.025 0.000 2.378 67 S HA -0.253 4.217 4.470 0.001 0.000 0.221 67 S C 0.449 175.040 174.600 -0.015 0.000 1.037 67 S CA 1.063 59.250 58.200 -0.021 0.000 1.069 67 S CB -0.762 62.422 63.200 -0.027 0.000 1.006 67 S HN 0.808 nan 8.310 nan 0.000 0.423 68 K N 1.171 121.562 120.400 -0.016 0.000 2.259 68 K HA 0.576 4.897 4.320 0.001 0.000 0.249 68 K C -3.177 173.416 176.600 -0.010 0.000 0.942 68 K CA -2.340 53.941 56.287 -0.012 0.000 0.816 68 K CB 1.760 34.253 32.500 -0.012 0.000 1.155 68 K HN -0.051 nan 8.250 nan 0.000 0.428 69 P HA 0.053 nan 4.420 nan 0.000 0.244 69 P C -0.723 176.574 177.300 -0.005 0.000 1.632 69 P CA -0.206 62.890 63.100 -0.005 0.000 0.944 69 P CB -0.151 31.547 31.700 -0.003 0.000 1.569 70 S N -2.245 113.451 115.700 -0.007 0.000 2.558 70 S HA 0.275 4.745 4.470 0.001 0.000 0.238 70 S C 0.616 175.211 174.600 -0.008 0.000 1.183 70 S CA -0.396 57.800 58.200 -0.007 0.000 1.185 70 S CB -0.168 63.028 63.200 -0.007 0.000 1.003 70 S HN -0.093 nan 8.310 nan 0.000 0.478 71 V N 0.101 120.010 119.914 -0.008 0.000 3.048 71 V HA 0.521 4.641 4.120 0.001 0.000 0.241 71 V C 1.713 177.802 176.094 -0.008 0.000 1.129 71 V CA 1.248 63.541 62.300 -0.011 0.000 1.128 71 V CB 0.369 32.183 31.823 -0.015 0.000 0.849 71 V HN 0.878 nan 8.190 nan 0.000 0.475 72 A N 0.383 123.200 122.820 -0.005 0.000 1.567 72 A HA -0.206 4.115 4.320 0.001 0.000 0.210 72 A C 0.531 178.115 177.584 0.001 0.000 0.582 72 A CA 0.963 52.999 52.037 -0.002 0.000 1.171 72 A CB -1.203 17.796 19.000 -0.002 0.000 1.436 72 A HN 0.542 nan 8.150 nan 0.000 0.715 73 K N 0.894 121.294 120.400 -0.001 0.000 2.482 73 K HA 0.556 4.876 4.320 0.001 0.000 0.251 73 K C -1.709 174.888 176.600 -0.005 0.000 0.936 73 K CA -0.860 55.429 56.287 0.004 0.000 0.791 73 K CB 1.724 34.232 32.500 0.013 0.000 1.213 73 K HN 0.190 nan 8.250 nan 0.000 0.428 74 D N 2.904 123.303 120.400 -0.002 0.000 2.749 74 D HA -0.136 4.504 4.640 0.001 0.000 0.222 74 D C 0.293 176.569 176.300 -0.042 0.000 1.131 74 D CA 1.275 55.267 54.000 -0.014 0.000 0.845 74 D CB 0.344 41.145 40.800 0.001 0.000 1.196 74 D HN 0.752 nan 8.370 nan 0.000 0.503 75 D N -1.575 118.785 120.400 -0.067 0.000 2.562 75 D HA 0.004 4.644 4.640 0.001 0.000 0.246 75 D C -0.356 175.855 176.300 -0.149 0.000 1.347 75 D CA -0.349 53.580 54.000 -0.119 0.000 0.800 75 D CB -0.311 40.431 40.800 -0.097 0.000 1.111 75 D HN 0.273 nan 8.370 nan 0.000 0.508 76 T N -1.084 113.403 114.554 -0.112 0.000 2.848 76 T HA 0.517 4.867 4.350 0.001 0.000 0.285 76 T C -0.494 174.150 174.700 -0.094 0.000 0.995 76 T CA -0.896 61.139 62.100 -0.109 0.000 0.970 76 T CB 1.941 70.775 68.868 -0.056 0.000 0.976 76 T HN -0.089 nan 8.240 nan 0.000 0.441 77 L N 3.621 124.769 121.223 -0.125 0.000 2.349 77 L HA 0.483 4.823 4.340 0.001 0.000 0.275 77 L C -0.148 176.729 176.870 0.012 0.000 1.115 77 L CA -0.536 54.259 54.840 -0.076 0.000 0.820 77 L CB 1.304 43.271 42.059 -0.155 0.000 1.135 77 L HN 0.720 nan 8.230 nan 0.000 0.445 78 V N 5.535 125.485 119.914 0.061 0.000 2.266 78 V HA 0.245 4.366 4.120 0.001 0.000 0.266 78 V C -0.004 176.187 176.094 0.162 0.000 1.036 78 V CA -0.731 61.632 62.300 0.105 0.000 0.828 78 V CB 1.312 33.183 31.823 0.080 0.000 1.081 78 V HN 0.420 nan 8.190 nan 0.000 0.449 79 V N 3.792 123.838 119.914 0.221 0.000 2.432 79 V HA 0.299 4.420 4.120 0.001 0.000 0.271 79 V C 1.386 177.621 176.094 0.234 0.000 1.046 79 V CA -0.206 62.263 62.300 0.281 0.000 0.945 79 V CB 0.828 32.902 31.823 0.418 0.000 0.992 79 V HN 1.011 nan 8.190 nan 0.000 0.471 80 N N 3.743 122.566 118.700 0.204 0.000 2.696 80 N HA -0.265 4.475 4.740 0.001 0.000 0.249 80 N C 1.093 176.750 175.510 0.245 0.000 1.090 80 N CA 1.262 54.413 53.050 0.168 0.000 0.716 80 N CB -0.734 37.806 38.487 0.089 0.000 1.020 80 N HN 1.395 nan 8.380 nan 0.000 0.548 81 G N -1.436 107.508 108.800 0.241 0.000 2.232 81 G HA2 -0.257 3.704 3.960 0.001 0.000 0.226 81 G HA3 -0.257 3.704 3.960 0.001 0.000 0.226 81 G C -0.186 174.827 174.900 0.189 0.000 0.996 81 G CA 0.420 45.647 45.100 0.211 0.000 0.626 81 G HN 0.673 nan 8.290 nan 0.000 0.509 82 H N 0.343 119.456 119.070 0.071 0.000 2.467 82 H HA 0.739 5.295 4.556 0.001 0.000 0.331 82 H C 0.523 175.897 175.328 0.076 0.000 1.120 82 H CA -0.447 55.642 56.048 0.070 0.000 1.270 82 H CB 0.821 30.628 29.762 0.075 0.000 1.466 82 H HN 0.225 nan 8.280 nan 0.000 0.504 83 R N 2.810 123.391 120.500 0.134 0.000 2.247 83 R HA 0.353 4.693 4.340 0.001 0.000 0.329 83 R C -0.619 175.726 176.300 0.075 0.000 1.014 83 R CA -0.473 55.675 56.100 0.080 0.000 0.907 83 R CB 0.330 30.649 30.300 0.032 0.000 1.146 83 R HN 0.462 nan 8.270 nan 0.000 0.499 84 I N 3.113 123.720 120.570 0.061 0.000 2.428 84 I HA 0.195 4.365 4.170 0.001 0.000 0.296 84 I C -0.260 175.823 176.117 -0.057 0.000 0.985 84 I CA -0.877 60.438 61.300 0.026 0.000 1.260 84 I CB 1.191 39.200 38.000 0.016 0.000 1.389 84 I HN 0.282 nan 8.210 nan 0.000 0.484 85 L N 6.629 127.822 121.223 -0.050 0.000 2.264 85 L HA 0.410 4.750 4.340 0.001 0.000 0.289 85 L C -0.572 176.196 176.870 -0.170 0.000 1.044 85 L CA -0.002 54.783 54.840 -0.092 0.000 0.807 85 L CB 0.645 42.681 42.059 -0.039 0.000 1.192 85 L HN 0.672 nan 8.230 nan 0.000 0.425 86 C N 4.918 124.053 119.300 -0.275 0.000 2.629 86 C HA 0.489 4.949 4.460 0.001 0.000 0.410 86 C C 0.315 175.173 174.990 -0.219 0.000 1.339 86 C CA -0.641 58.139 59.018 -0.397 0.000 1.810 86 C CB -0.469 26.910 27.740 -0.602 0.000 2.549 86 C HN 0.591 nan 8.230 nan 0.000 0.589 87 V N 4.027 123.848 119.914 -0.155 0.000 2.735 87 V HA 0.391 4.511 4.120 0.001 0.000 0.310 87 V C -0.151 175.909 176.094 -0.056 0.000 1.061 87 V CA -0.856 61.388 62.300 -0.094 0.000 0.913 87 V CB 2.092 33.863 31.823 -0.086 0.000 1.005 87 V HN 0.707 nan 8.190 nan 0.000 0.428 88 K N 3.592 123.957 120.400 -0.058 0.000 2.383 88 K HA 0.530 4.850 4.320 0.001 0.000 0.286 88 K C 0.306 176.895 176.600 -0.018 0.000 1.051 88 K CA 0.241 56.514 56.287 -0.022 0.000 0.974 88 K CB 0.496 32.980 32.500 -0.026 0.000 0.968 88 K HN 0.911 nan 8.250 nan 0.000 0.475 89 A N 4.753 127.593 122.820 0.034 0.000 2.587 89 A HA 0.035 4.355 4.320 0.001 0.000 0.233 89 A C -0.350 177.248 177.584 0.024 0.000 1.049 89 A CA 0.446 52.515 52.037 0.052 0.000 0.754 89 A CB 0.057 19.115 19.000 0.097 0.000 0.977 89 A HN 0.707 nan 8.150 nan 0.000 0.509 90 Q N 0.766 120.579 119.800 0.022 0.000 2.347 90 Q HA 0.301 4.641 4.340 0.001 0.000 0.271 90 Q C 0.496 176.545 176.000 0.082 0.000 1.064 90 Q CA -0.695 55.113 55.803 0.007 0.000 0.800 90 Q CB 1.938 30.630 28.738 -0.078 0.000 1.304 90 Q HN 0.859 nan 8.270 nan 0.000 0.438 91 R N 0.643 121.194 120.500 0.086 0.000 2.193 91 R HA -0.010 4.330 4.340 0.001 0.000 0.229 91 R C 0.664 177.095 176.300 0.217 0.000 1.110 91 R CA 0.734 56.919 56.100 0.143 0.000 0.988 91 R CB 0.309 30.660 30.300 0.085 0.000 0.871 91 R HN 0.393 nan 8.270 nan 0.000 0.458 92 N N -0.208 118.559 118.700 0.111 0.000 2.430 92 N HA 0.125 4.866 4.740 0.001 0.000 0.290 92 N C -2.512 172.923 175.510 -0.125 0.000 1.063 92 N CA -1.820 51.275 53.050 0.074 0.000 0.883 92 N CB 2.273 40.791 38.487 0.053 0.000 1.465 92 N HN -0.281 nan 8.380 nan 0.000 0.493 93 P HA 0.042 nan 4.420 nan 0.000 0.226 93 P C 0.867 177.895 177.300 -0.454 0.000 1.153 93 P CA 0.593 63.338 63.100 -0.591 0.000 0.777 93 P CB 0.218 31.319 31.700 -0.999 0.000 0.794 94 A N -0.254 122.417 122.820 -0.249 0.000 2.216 94 A HA -0.113 4.207 4.320 0.001 0.000 0.214 94 A C 1.440 178.924 177.584 -0.167 0.000 1.160 94 A CA 1.221 53.163 52.037 -0.159 0.000 0.725 94 A CB -0.845 18.110 19.000 -0.075 0.000 0.784 94 A HN 0.075 nan 8.150 nan 0.000 0.472 95 D N -0.150 120.129 120.400 -0.202 0.000 2.388 95 D HA 0.184 4.824 4.640 0.001 0.000 0.221 95 D C -0.053 176.081 176.300 -0.277 0.000 1.133 95 D CA 0.025 53.914 54.000 -0.185 0.000 0.831 95 D CB 0.251 40.974 40.800 -0.128 0.000 0.962 95 D HN 0.250 nan 8.370 nan 0.000 0.502 96 L N 2.111 123.073 121.223 -0.435 0.000 2.375 96 L HA 0.213 4.553 4.340 0.001 0.000 0.271 96 L C -1.646 174.890 176.870 -0.556 0.000 1.107 96 L CA -1.232 53.188 54.840 -0.700 0.000 0.806 96 L CB 1.194 42.427 42.059 -1.378 0.000 1.146 96 L HN -0.226 nan 8.230 nan 0.000 0.447 97 P HA 0.008 nan 4.420 nan 0.000 0.226 97 P C 0.728 177.999 177.300 -0.050 0.000 1.758 97 P CA 0.050 63.022 63.100 -0.214 0.000 0.896 97 P CB -0.171 31.434 31.700 -0.158 0.000 1.784 98 W N 0.961 122.254 121.300 -0.010 0.000 2.353 98 W HA -0.115 4.545 4.660 0.001 0.000 0.319 98 W C 2.607 179.122 176.519 -0.006 0.000 1.207 98 W CA 0.804 58.152 57.345 0.005 0.000 1.291 98 W CB -1.214 28.258 29.460 0.019 0.000 1.159 98 W HN 0.127 nan 8.180 nan 0.000 0.478 99 G N 0.531 109.474 108.800 0.238 0.000 2.505 99 G HA2 -0.361 3.600 3.960 0.001 0.000 0.220 99 G HA3 -0.361 3.600 3.960 0.001 0.000 0.220 99 G C 1.418 176.373 174.900 0.091 0.000 1.145 99 G CA 1.512 46.685 45.100 0.121 0.000 0.761 99 G HN 0.210 nan 8.290 nan 0.000 0.571 100 K N -0.519 119.928 120.400 0.077 0.000 2.031 100 K HA 0.058 4.378 4.320 0.001 0.000 0.205 100 K C 2.352 178.989 176.600 0.062 0.000 1.049 100 K CA 0.535 56.851 56.287 0.048 0.000 0.939 100 K CB -0.215 32.296 32.500 0.017 0.000 0.717 100 K HN 0.177 nan 8.250 nan 0.000 0.438 101 L N 0.683 121.966 121.223 0.100 0.000 2.265 101 L HA -0.011 4.329 4.340 0.001 0.000 0.215 101 L C 1.201 178.134 176.870 0.105 0.000 1.117 101 L CA 2.096 57.003 54.840 0.112 0.000 0.782 101 L CB -0.933 41.236 42.059 0.185 0.000 0.914 101 L HN 0.643 nan 8.230 nan 0.000 0.441 102 G N -0.783 108.082 108.800 0.108 0.000 2.203 102 G HA2 -0.194 3.767 3.960 0.001 0.000 0.231 102 G HA3 -0.194 3.767 3.960 0.001 0.000 0.231 102 G C 0.025 174.960 174.900 0.058 0.000 1.058 102 G CA 0.141 45.282 45.100 0.069 0.000 0.781 102 G HN 0.118 nan 8.290 nan 0.000 0.496 103 V N 0.560 120.523 119.914 0.082 0.000 2.439 103 V HA 0.500 4.620 4.120 0.001 0.000 0.282 103 V C 1.209 177.234 176.094 -0.115 0.000 1.039 103 V CA 0.522 62.813 62.300 -0.014 0.000 0.913 103 V CB 1.509 33.304 31.823 -0.048 0.000 0.983 103 V HN 0.675 nan 8.190 nan 0.000 0.460 104 E N 3.727 123.834 120.200 -0.154 0.000 2.332 104 E HA 0.095 4.445 4.350 0.001 0.000 0.202 104 E C -0.521 175.821 176.600 -0.429 0.000 0.877 104 E CA -0.023 56.210 56.400 -0.280 0.000 0.979 104 E CB 0.286 29.807 29.700 -0.298 0.000 0.969 104 E HN 0.584 nan 8.360 nan 0.000 0.495 105 Y N 1.896 122.086 120.300 -0.184 0.000 2.331 105 Y HA 0.444 4.994 4.550 0.001 0.000 0.338 105 Y C -0.275 175.445 175.900 -0.300 0.000 0.976 105 Y CA -1.148 56.833 58.100 -0.199 0.000 1.137 105 Y CB 2.163 40.536 38.460 -0.144 0.000 1.172 105 Y HN -0.065 nan 8.280 nan 0.000 0.478 106 V N 5.341 125.114 119.914 -0.236 0.000 2.555 106 V HA 0.604 4.725 4.120 0.001 0.000 0.302 106 V C -0.769 175.186 176.094 -0.231 0.000 1.038 106 V CA -0.833 61.231 62.300 -0.393 0.000 0.887 106 V CB 1.310 32.656 31.823 -0.795 0.000 0.991 106 V HN 0.713 nan 8.190 nan 0.000 0.434 107 I N 5.535 126.015 120.570 -0.150 0.000 2.307 107 I HA 0.424 4.594 4.170 0.001 0.000 0.289 107 I C 0.149 176.249 176.117 -0.029 0.000 1.021 107 I CA -0.417 60.843 61.300 -0.066 0.000 1.224 107 I CB 1.193 39.181 38.000 -0.020 0.000 1.376 107 I HN 0.604 nan 8.210 nan 0.000 0.470 108 E N 4.463 124.638 120.200 -0.042 0.000 2.217 108 E HA 0.211 4.561 4.350 0.001 0.000 0.279 108 E C 0.030 176.692 176.600 0.103 0.000 1.068 108 E CA 0.186 56.602 56.400 0.026 0.000 0.882 108 E CB 1.272 30.985 29.700 0.022 0.000 1.039 108 E HN 0.550 nan 8.360 nan 0.000 0.418 109 S N 1.073 116.858 115.700 0.142 0.000 2.817 109 S HA -0.034 4.436 4.470 0.001 0.000 0.262 109 S C 1.509 176.196 174.600 0.146 0.000 1.051 109 S CA 0.207 58.485 58.200 0.129 0.000 1.185 109 S CB 0.546 63.808 63.200 0.103 0.000 1.152 109 S HN 0.612 nan 8.310 nan 0.000 0.653 110 T N 0.102 114.779 114.554 0.206 0.000 2.737 110 T HA 0.211 4.561 4.350 0.001 0.000 0.265 110 T C 1.774 176.563 174.700 0.148 0.000 1.038 110 T CA 1.455 63.682 62.100 0.210 0.000 1.144 110 T CB -0.650 68.420 68.868 0.337 0.000 0.866 110 T HN 0.869 nan 8.240 nan 0.000 0.434 111 G N 0.432 109.323 108.800 0.152 0.000 2.134 111 G HA2 -0.085 3.875 3.960 0.001 0.000 0.209 111 G HA3 -0.085 3.875 3.960 0.001 0.000 0.209 111 G C 0.287 175.201 174.900 0.024 0.000 0.993 111 G CA 0.105 45.254 45.100 0.082 0.000 0.669 111 G HN 0.506 nan 8.290 nan 0.000 0.519 112 L N -0.925 120.304 121.223 0.011 0.000 3.086 112 L HA 0.573 4.913 4.340 0.001 0.000 0.274 112 L C 0.325 176.745 176.870 -0.749 0.000 1.184 112 L CA 0.206 54.832 54.840 -0.357 0.000 1.002 112 L CB 0.272 42.037 42.059 -0.491 0.000 1.383 112 L HN 0.219 nan 8.230 nan 0.000 0.582 113 F N -2.050 117.958 119.950 0.097 0.000 2.556 113 F HA 0.250 4.777 4.527 0.001 0.000 0.384 113 F C 1.495 177.352 175.800 0.094 0.000 1.493 113 F CA -0.119 57.946 58.000 0.108 0.000 1.119 113 F CB 0.112 39.208 39.000 0.161 0.000 1.280 113 F HN -0.324 nan 8.300 nan 0.000 0.525 114 T N 0.252 114.898 114.554 0.152 0.000 2.951 114 T HA -0.018 4.332 4.350 0.001 0.000 0.268 114 T C 0.962 175.726 174.700 0.107 0.000 1.073 114 T CA 0.825 62.994 62.100 0.115 0.000 1.134 114 T CB -0.019 68.886 68.868 0.062 0.000 0.884 114 T HN 0.097 nan 8.240 nan 0.000 0.479 115 V N 2.233 122.210 119.914 0.105 0.000 2.470 115 V HA 0.272 4.392 4.120 0.001 0.000 0.276 115 V C 1.469 177.637 176.094 0.123 0.000 1.040 115 V CA -0.710 61.647 62.300 0.094 0.000 1.008 115 V CB 0.982 32.849 31.823 0.073 0.000 0.990 115 V HN 0.224 nan 8.190 nan 0.000 0.477 116 K N 3.567 124.029 120.400 0.102 0.000 2.113 116 K HA -0.222 4.098 4.320 0.001 0.000 0.208 116 K C 2.117 178.792 176.600 0.124 0.000 1.047 116 K CA 2.226 58.580 56.287 0.111 0.000 0.928 116 K CB -0.122 32.431 32.500 0.088 0.000 0.716 116 K HN 0.952 nan 8.250 nan 0.000 0.446 117 S N 0.323 116.089 115.700 0.111 0.000 2.368 117 S HA -0.088 4.382 4.470 0.001 0.000 0.224 117 S C 2.226 176.912 174.600 0.143 0.000 1.029 117 S CA 0.841 59.108 58.200 0.110 0.000 0.988 117 S CB -0.448 62.805 63.200 0.087 0.000 0.838 117 S HN 0.428 nan 8.310 nan 0.000 0.462 118 A N 2.570 125.497 122.820 0.179 0.000 1.865 118 A HA 0.171 4.491 4.320 0.001 0.000 0.217 118 A C 2.512 180.278 177.584 0.302 0.000 1.191 118 A CA 2.028 54.232 52.037 0.279 0.000 0.623 118 A CB -1.548 17.656 19.000 0.340 0.000 0.826 118 A HN 0.917 nan 8.150 nan 0.000 0.444 119 A N -1.042 121.955 122.820 0.294 0.000 2.172 119 A HA -0.043 4.278 4.320 0.001 0.000 0.216 119 A C 1.796 179.533 177.584 0.254 0.000 1.154 119 A CA 1.345 53.555 52.037 0.288 0.000 0.701 119 A CB -0.447 18.691 19.000 0.230 0.000 0.789 119 A HN 0.663 nan 8.150 nan 0.000 0.465 120 E N -0.555 119.758 120.200 0.190 0.000 2.347 120 E HA -0.060 4.291 4.350 0.001 0.000 0.196 120 E C 1.956 178.640 176.600 0.139 0.000 1.008 120 E CA 0.421 56.914 56.400 0.155 0.000 0.852 120 E CB -0.208 29.564 29.700 0.121 0.000 0.783 120 E HN 0.631 nan 8.360 nan 0.000 0.505 121 G N 0.125 108.991 108.800 0.111 0.000 2.501 121 G HA2 -0.255 3.706 3.960 0.001 0.000 0.220 121 G HA3 -0.255 3.706 3.960 0.001 0.000 0.220 121 G C 1.190 176.091 174.900 0.002 0.000 1.114 121 G CA 0.567 45.678 45.100 0.018 0.000 0.757 121 G HN 0.363 nan 8.290 nan 0.000 0.559 122 H N 0.089 119.220 119.070 0.102 0.000 2.363 122 H HA 0.077 4.633 4.556 0.001 0.000 0.301 122 H C 2.699 178.146 175.328 0.198 0.000 1.074 122 H CA 0.904 57.100 56.048 0.247 0.000 1.354 122 H CB -0.048 29.833 29.762 0.199 0.000 1.397 122 H HN 0.285 nan 8.280 nan 0.000 0.516 123 L N 0.326 121.670 121.223 0.203 0.000 2.127 123 L HA -0.199 4.141 4.340 0.001 0.000 0.211 123 L C 2.718 179.637 176.870 0.082 0.000 1.089 123 L CA 1.141 56.038 54.840 0.095 0.000 0.757 123 L CB -0.292 41.797 42.059 0.050 0.000 0.899 123 L HN 0.109 nan 8.230 nan 0.000 0.434 124 R N 0.224 120.773 120.500 0.081 0.000 2.148 124 R HA -0.051 4.289 4.340 0.001 0.000 0.223 124 R C 1.958 178.283 176.300 0.042 0.000 1.088 124 R CA 0.972 57.097 56.100 0.043 0.000 0.985 124 R CB -0.186 30.128 30.300 0.023 0.000 0.880 124 R HN 0.308 nan 8.270 nan 0.000 0.451 125 G N -1.583 107.264 108.800 0.078 0.000 3.124 125 G HA2 0.209 4.170 3.960 0.001 0.000 0.212 125 G HA3 0.209 4.170 3.960 0.001 0.000 0.212 125 G C 0.735 175.726 174.900 0.152 0.000 1.181 125 G CA 0.316 45.450 45.100 0.058 0.000 0.803 125 G HN 0.512 nan 8.290 nan 0.000 0.529 126 G N -1.374 107.513 108.800 0.145 0.000 2.195 126 G HA2 0.109 4.069 3.960 0.001 0.000 0.224 126 G HA3 0.109 4.069 3.960 0.001 0.000 0.224 126 G C 0.678 175.651 174.900 0.121 0.000 0.990 126 G CA 0.198 45.369 45.100 0.119 0.000 0.639 126 G HN 1.285 nan 8.290 nan 0.000 0.514 127 A N -0.238 122.696 122.820 0.190 0.000 2.386 127 A HA 0.763 5.083 4.320 0.001 0.000 0.246 127 A C 1.211 178.758 177.584 -0.062 0.000 1.089 127 A CA 1.414 53.449 52.037 -0.004 0.000 0.790 127 A CB 0.477 19.405 19.000 -0.119 0.000 1.042 127 A HN 0.728 nan 8.150 nan 0.000 0.497 128 R N -0.991 119.409 120.500 -0.167 0.000 2.350 128 R HA 0.170 4.510 4.340 0.001 0.000 0.199 128 R C -0.496 175.696 176.300 -0.180 0.000 0.876 128 R CA 0.368 56.352 56.100 -0.193 0.000 1.062 128 R CB 0.347 30.491 30.300 -0.260 0.000 1.263 128 R HN 0.575 nan 8.270 nan 0.000 0.641 129 K N 0.823 121.098 120.400 -0.209 0.000 2.501 129 K HA 0.370 4.690 4.320 0.001 0.000 0.252 129 K C -1.667 174.916 176.600 -0.028 0.000 0.934 129 K CA -0.689 55.565 56.287 -0.055 0.000 0.797 129 K CB 2.708 35.194 32.500 -0.023 0.000 1.270 129 K HN -0.123 nan 8.250 nan 0.000 0.431 130 V N 2.727 122.658 119.914 0.028 0.000 2.443 130 V HA 0.316 4.436 4.120 0.001 0.000 0.293 130 V C -0.612 175.493 176.094 0.017 0.000 1.021 130 V CA -0.902 61.381 62.300 -0.029 0.000 0.848 130 V CB 2.088 33.897 31.823 -0.024 0.000 0.998 130 V HN 0.436 nan 8.190 nan 0.000 0.424 131 V N 6.751 126.658 119.914 -0.011 0.000 2.394 131 V HA 0.459 4.580 4.120 0.001 0.000 0.282 131 V C 0.124 176.232 176.094 0.023 0.000 1.031 131 V CA -0.447 61.861 62.300 0.014 0.000 0.881 131 V CB 1.675 33.489 31.823 -0.016 0.000 0.982 131 V HN 0.654 nan 8.190 nan 0.000 0.451 132 I N 4.434 125.043 120.570 0.066 0.000 2.337 132 I HA 0.170 4.341 4.170 0.001 0.000 0.291 132 I C 1.102 177.293 176.117 0.122 0.000 1.046 132 I CA 0.110 61.465 61.300 0.091 0.000 1.324 132 I CB 1.387 39.450 38.000 0.105 0.000 1.409 132 I HN 0.720 nan 8.210 nan 0.000 0.494 133 S N 5.286 121.071 115.700 0.142 0.000 2.815 133 S HA 0.614 5.084 4.470 0.001 0.000 0.254 133 S C 0.102 174.844 174.600 0.236 0.000 1.197 133 S CA -0.271 58.077 58.200 0.247 0.000 1.216 133 S CB -0.297 63.045 63.200 0.236 0.000 0.871 133 S HN 0.796 nan 8.310 nan 0.000 0.473 134 A N 0.915 123.839 122.820 0.173 0.000 2.581 134 A HA 0.639 4.959 4.320 0.001 0.000 0.294 134 A C -3.398 174.234 177.584 0.080 0.000 1.035 134 A CA -1.353 50.731 52.037 0.077 0.000 0.684 134 A CB 0.073 19.097 19.000 0.040 0.000 1.282 134 A HN 0.255 nan 8.150 nan 0.000 0.417 135 P HA 0.351 nan 4.420 nan 0.000 0.261 135 P C 0.044 177.370 177.300 0.043 0.000 1.203 135 P CA 0.828 63.953 63.100 0.041 0.000 0.767 135 P CB 0.671 32.380 31.700 0.014 0.000 0.785 136 A N 3.628 126.478 122.820 0.051 0.000 2.252 136 A HA 0.697 5.018 4.320 0.001 0.000 0.305 136 A C 0.331 177.938 177.584 0.039 0.000 1.097 136 A CA -0.131 51.940 52.037 0.056 0.000 0.849 136 A CB 0.499 19.542 19.000 0.071 0.000 1.142 136 A HN 0.525 nan 8.150 nan 0.000 0.499 137 S N -1.514 114.212 115.700 0.043 0.000 2.634 137 S HA 0.683 5.154 4.470 0.001 0.000 0.296 137 S C 0.300 174.923 174.600 0.039 0.000 1.104 137 S CA 0.190 58.409 58.200 0.032 0.000 0.920 137 S CB 1.309 64.525 63.200 0.026 0.000 1.111 137 S HN 2.652 nan 8.310 nan 0.000 0.493 138 G N -0.146 108.672 108.800 0.030 0.000 2.165 138 G HA2 0.323 4.283 3.960 0.001 0.000 0.226 138 G HA3 0.323 4.283 3.960 0.001 0.000 0.226 138 G C 1.173 176.093 174.900 0.034 0.000 1.035 138 G CA 0.436 45.556 45.100 0.034 0.000 0.744 138 G HN 2.474 nan 8.290 nan 0.000 0.501 139 G N -1.811 107.003 108.800 0.023 0.000 2.137 139 G HA2 0.216 4.176 3.960 0.001 0.000 0.237 139 G HA3 0.216 4.176 3.960 0.001 0.000 0.237 139 G C 0.790 175.705 174.900 0.024 0.000 1.002 139 G CA 1.055 46.166 45.100 0.018 0.000 0.702 139 G HN 2.327 nan 8.290 nan 0.000 0.515 140 A N -0.414 122.426 122.820 0.033 0.000 2.388 140 A HA 0.685 5.005 4.320 0.001 0.000 0.257 140 A C 0.599 178.187 177.584 0.007 0.000 1.095 140 A CA 0.587 52.651 52.037 0.045 0.000 0.791 140 A CB 0.542 19.581 19.000 0.065 0.000 1.029 140 A HN 0.845 nan 8.150 nan 0.000 0.489 141 K N 1.252 121.655 120.400 0.005 0.000 2.322 141 K HA 0.349 4.670 4.320 0.001 0.000 0.283 141 K C -0.409 176.074 176.600 -0.195 0.000 1.042 141 K CA 0.419 56.631 56.287 -0.124 0.000 0.958 141 K CB 0.422 32.854 32.500 -0.113 0.000 0.984 141 K HN 0.568 nan 8.250 nan 0.000 0.473 142 T N 5.090 119.455 114.554 -0.316 0.000 2.767 142 T HA 0.463 4.813 4.350 0.001 0.000 0.284 142 T C -0.883 173.560 174.700 -0.429 0.000 0.973 142 T CA -0.239 61.725 62.100 -0.226 0.000 0.996 142 T CB 0.042 68.840 68.868 -0.116 0.000 0.927 142 T HN 0.316 nan 8.240 nan 0.000 0.456 143 F N 1.721 121.680 119.950 0.015 0.000 2.522 143 F HA 0.667 5.194 4.527 0.001 0.000 0.324 143 F C -0.155 175.625 175.800 -0.034 0.000 1.077 143 F CA -1.027 56.972 58.000 -0.002 0.000 0.944 143 F CB 1.820 40.812 39.000 -0.014 0.000 1.175 143 F HN 0.157 nan 8.300 nan 0.000 0.468 144 V N 4.462 124.463 119.914 0.146 0.000 2.482 144 V HA 0.285 4.405 4.120 0.001 0.000 0.295 144 V C -0.193 175.852 176.094 -0.082 0.000 1.026 144 V CA -0.916 61.392 62.300 0.013 0.000 0.856 144 V CB 1.590 33.404 31.823 -0.015 0.000 1.001 144 V HN 0.611 nan 8.190 nan 0.000 0.424 145 M N 3.108 122.587 119.600 -0.202 0.000 2.252 145 M HA 0.238 4.719 4.480 0.001 0.000 0.348 145 M C 1.460 177.438 176.300 -0.538 0.000 1.334 145 M CA 1.296 56.309 55.300 -0.480 0.000 1.071 145 M CB -0.082 32.286 32.600 -0.387 0.000 1.763 145 M HN 1.078 nan 8.290 nan 0.000 0.452 146 G N 2.848 111.097 108.800 -0.918 0.000 2.168 146 G HA2 -0.198 3.762 3.960 0.001 0.000 0.263 146 G HA3 -0.198 3.762 3.960 0.001 0.000 0.263 146 G C 0.492 175.191 174.900 -0.335 0.000 0.977 146 G CA 0.450 45.274 45.100 -0.461 0.000 0.659 146 G HN 0.567 nan 8.290 nan 0.000 0.533 147 V N -0.157 119.593 119.914 -0.274 0.000 3.137 147 V HA 0.251 4.371 4.120 0.001 0.000 0.236 147 V C 1.390 177.481 176.094 -0.006 0.000 1.260 147 V CA 1.509 63.653 62.300 -0.259 0.000 1.244 147 V CB 0.481 32.202 31.823 -0.170 0.000 1.016 147 V HN 0.753 nan 8.190 nan 0.000 0.477 148 N N -0.058 118.722 118.700 0.132 0.000 2.127 148 N HA -0.068 4.672 4.740 0.001 0.000 0.229 148 N C 1.080 176.820 175.510 0.382 0.000 1.374 148 N CA 0.258 53.446 53.050 0.230 0.000 0.763 148 N CB -0.480 38.099 38.487 0.153 0.000 1.269 148 N HN 0.577 nan 8.380 nan 0.000 0.516 149 H N -0.055 119.045 119.070 0.049 0.000 2.543 149 H HA 0.158 4.715 4.556 0.001 0.000 0.286 149 H C 0.600 175.883 175.328 -0.075 0.000 1.037 149 H CA 0.616 56.606 56.048 -0.097 0.000 1.250 149 H CB -0.414 29.057 29.762 -0.484 0.000 1.373 149 H HN 0.151 nan 8.280 nan 0.000 0.580 150 N N 0.800 119.432 118.700 -0.114 0.000 2.463 150 N HA -0.070 4.671 4.740 0.001 0.000 0.181 150 N C 0.725 176.311 175.510 0.127 0.000 1.078 150 N CA 0.209 53.216 53.050 -0.072 0.000 0.902 150 N CB 0.013 38.422 38.487 -0.130 0.000 0.970 150 N HN 0.359 nan 8.380 nan 0.000 0.451 151 N N 0.131 118.981 118.700 0.249 0.000 2.512 151 N HA -0.126 4.615 4.740 0.001 0.000 0.183 151 N C 0.175 175.919 175.510 0.390 0.000 1.073 151 N CA 0.085 53.297 53.050 0.269 0.000 0.911 151 N CB -0.428 38.201 38.487 0.237 0.000 0.964 151 N HN 0.303 nan 8.380 nan 0.000 0.447 152 Y N 2.323 122.831 120.300 0.347 0.000 2.805 152 Y HA 0.005 4.555 4.550 0.001 0.000 0.331 152 Y C 0.114 176.076 175.900 0.103 0.000 1.241 152 Y CA -0.323 57.881 58.100 0.173 0.000 1.546 152 Y CB -0.050 38.246 38.460 -0.273 0.000 1.248 152 Y HN -0.072 nan 8.280 nan 0.000 0.559 153 N N 8.376 126.742 118.700 -0.556 0.000 2.524 153 N HA 0.352 5.092 4.740 0.001 0.000 0.261 153 N C -2.431 172.630 175.510 -0.748 0.000 0.998 153 N CA -2.602 50.118 53.050 -0.550 0.000 0.915 153 N CB 1.869 40.233 38.487 -0.206 0.000 1.187 153 N HN 0.271 nan 8.380 nan 0.000 0.507 154 P HA -0.113 nan 4.420 nan 0.000 0.217 154 P C 0.968 178.163 177.300 -0.174 0.000 1.148 154 P CA 1.325 64.169 63.100 -0.426 0.000 0.834 154 P CB 0.416 31.997 31.700 -0.198 0.000 0.783 155 R N -1.240 119.159 120.500 -0.169 0.000 2.119 155 R HA -0.053 4.287 4.340 0.001 0.000 0.222 155 R C 2.054 178.259 176.300 -0.158 0.000 1.088 155 R CA 0.893 56.951 56.100 -0.070 0.000 0.984 155 R CB -0.178 30.093 30.300 -0.050 0.000 0.884 155 R HN 0.107 nan 8.270 nan 0.000 0.447 156 E N 0.486 120.545 120.200 -0.235 0.000 2.045 156 E HA -0.010 4.341 4.350 0.001 0.000 0.190 156 E C 0.055 176.446 176.600 -0.348 0.000 0.968 156 E CA 0.867 57.139 56.400 -0.213 0.000 0.813 156 E CB 0.168 29.802 29.700 -0.109 0.000 0.780 156 E HN 0.165 nan 8.360 nan 0.000 0.455 157 Q N 0.910 120.558 119.800 -0.254 0.000 2.296 157 Q HA 0.198 4.538 4.340 0.001 0.000 0.257 157 Q C 0.168 176.090 176.000 -0.130 0.000 0.942 157 Q CA 0.026 55.799 55.803 -0.049 0.000 0.939 157 Q CB 1.038 29.987 28.738 0.353 0.000 1.198 157 Q HN 0.339 nan 8.270 nan 0.000 0.429 158 H N 0.354 119.532 119.070 0.180 0.000 2.735 158 H HA 0.208 4.765 4.556 0.001 0.000 0.250 158 H C -0.010 175.390 175.328 0.119 0.000 0.948 158 H CA 0.246 56.377 56.048 0.138 0.000 1.137 158 H CB 1.209 31.021 29.762 0.084 0.000 1.440 158 H HN 0.238 nan 8.280 nan 0.000 0.444 159 V N 4.247 124.294 119.914 0.221 0.000 2.333 159 V HA 0.321 4.441 4.120 0.001 0.000 0.274 159 V C 0.426 176.614 176.094 0.158 0.000 1.028 159 V CA -0.609 61.788 62.300 0.162 0.000 0.851 159 V CB 1.267 33.175 31.823 0.142 0.000 1.000 159 V HN 0.130 nan 8.190 nan 0.000 0.456 160 V N 2.086 122.096 119.914 0.161 0.000 3.158 160 V HA 0.969 5.089 4.120 0.001 0.000 0.315 160 V C -0.268 175.918 176.094 0.152 0.000 1.148 160 V CA -0.701 61.718 62.300 0.199 0.000 1.042 160 V CB 2.242 34.262 31.823 0.328 0.000 1.101 160 V HN 0.765 nan 8.190 nan 0.000 0.448 161 S N 0.649 116.445 115.700 0.160 0.000 2.571 161 S HA 0.438 4.909 4.470 0.001 0.000 0.284 161 S C -0.305 174.382 174.600 0.144 0.000 1.128 161 S CA -0.452 57.824 58.200 0.127 0.000 0.970 161 S CB 1.423 64.677 63.200 0.089 0.000 1.039 161 S HN 1.019 nan 8.310 nan 0.000 0.485 162 N N 3.465 122.250 118.700 0.142 0.000 2.389 162 N HA 0.481 5.221 4.740 0.001 0.000 0.237 162 N C 0.607 176.234 175.510 0.195 0.000 1.148 162 N CA 0.785 53.901 53.050 0.111 0.000 0.854 162 N CB -0.314 38.158 38.487 -0.026 0.000 1.115 162 N HN 1.125 nan 8.380 nan 0.000 0.492 163 A N -0.856 122.066 122.820 0.170 0.000 6.086 163 A HA -0.154 4.166 4.320 0.001 0.000 0.252 163 A C 0.415 178.116 177.584 0.196 0.000 2.197 163 A CA 0.612 52.741 52.037 0.153 0.000 0.706 163 A CB -2.079 16.996 19.000 0.124 0.000 1.023 163 A HN 0.866 nan 8.150 nan 0.000 0.358 164 S N -1.988 113.778 115.700 0.110 0.000 2.786 164 S HA 0.591 5.062 4.470 0.001 0.000 0.307 164 S C 1.418 176.016 174.600 -0.003 0.000 1.121 164 S CA 0.391 58.569 58.200 -0.037 0.000 0.975 164 S CB 0.918 64.084 63.200 -0.058 0.000 1.220 164 S HN 2.373 nan 8.310 nan 0.000 0.550 165 C N -0.425 118.795 119.300 -0.134 0.000 2.500 165 C HA 0.101 4.561 4.460 0.001 0.000 0.279 165 C C 2.621 177.555 174.990 -0.094 0.000 1.288 165 C CA 1.079 60.109 59.018 0.019 0.000 1.710 165 C CB -2.166 25.639 27.740 0.109 0.000 2.052 165 C HN 0.881 nan 8.230 nan 0.000 0.488 166 T N 1.717 116.209 114.554 -0.104 0.000 2.788 166 T HA -0.128 4.223 4.350 0.001 0.000 0.268 166 T C 1.810 176.401 174.700 -0.181 0.000 1.044 166 T CA 2.354 64.316 62.100 -0.229 0.000 1.139 166 T CB -0.732 68.108 68.868 -0.046 0.000 0.867 166 T HN 0.699 nan 8.240 nan 0.000 0.454 167 T N 2.306 116.810 114.554 -0.084 0.000 2.821 167 T HA -0.054 4.296 4.350 0.001 0.000 0.267 167 T C 1.914 176.584 174.700 -0.050 0.000 1.046 167 T CA 0.751 62.820 62.100 -0.052 0.000 1.139 167 T CB -0.275 68.587 68.868 -0.011 0.000 0.871 167 T HN 0.435 nan 8.240 nan 0.000 0.454 168 N N 0.276 118.963 118.700 -0.023 0.000 2.396 168 N HA -0.061 4.680 4.740 0.001 0.000 0.180 168 N C 2.067 177.520 175.510 -0.096 0.000 1.028 168 N CA 0.696 53.735 53.050 -0.017 0.000 0.893 168 N CB -0.163 38.379 38.487 0.091 0.000 0.967 168 N HN 0.387 nan 8.380 nan 0.000 0.440 169 C N 0.338 119.502 119.300 -0.226 0.000 2.522 169 C HA 0.105 4.566 4.460 0.001 0.000 0.280 169 C C 2.620 177.506 174.990 -0.174 0.000 1.303 169 C CA -0.006 58.842 59.018 -0.284 0.000 1.709 169 C CB -1.029 26.274 27.740 -0.729 0.000 2.071 169 C HN 0.311 nan 8.230 nan 0.000 0.492 170 L N 2.294 123.417 121.223 -0.167 0.000 2.027 170 L HA 0.139 4.479 4.340 0.001 0.000 0.206 170 L C 2.677 179.506 176.870 -0.069 0.000 1.074 170 L CA 2.515 57.295 54.840 -0.100 0.000 0.745 170 L CB -1.163 40.845 42.059 -0.086 0.000 0.898 170 L HN 0.384 nan 8.230 nan 0.000 0.433 171 A N 0.309 123.093 122.820 -0.060 0.000 1.884 171 A HA -0.178 4.142 4.320 0.001 0.000 0.219 171 A C 0.101 177.684 177.584 -0.002 0.000 1.197 171 A CA 2.310 54.330 52.037 -0.029 0.000 0.637 171 A CB -2.224 16.759 19.000 -0.029 0.000 0.827 171 A HN 0.467 nan 8.150 nan 0.000 0.450 172 P HA -0.105 nan 4.420 nan 0.000 0.218 172 P C 1.454 178.768 177.300 0.022 0.000 1.149 172 P CA 0.515 63.612 63.100 -0.005 0.000 0.817 172 P CB -0.061 31.611 31.700 -0.047 0.000 0.785 173 L N -0.356 120.853 121.223 -0.023 0.000 1.955 173 L HA -0.154 4.187 4.340 0.001 0.000 0.213 173 L C 2.395 179.218 176.870 -0.078 0.000 1.072 173 L CA 1.913 56.716 54.840 -0.061 0.000 0.755 173 L CB -1.580 40.433 42.059 -0.077 0.000 0.888 173 L HN -0.141 nan 8.230 nan 0.000 0.432 174 V N -1.054 118.815 119.914 -0.074 0.000 2.594 174 V HA -0.313 3.807 4.120 0.001 0.000 0.253 174 V C 2.453 178.530 176.094 -0.029 0.000 1.069 174 V CA 1.712 63.952 62.300 -0.100 0.000 1.082 174 V CB -0.886 30.892 31.823 -0.074 0.000 0.680 174 V HN 0.620 nan 8.190 nan 0.000 0.469 175 H N 0.776 119.822 119.070 -0.040 0.000 2.253 175 H HA -0.177 4.380 4.556 0.001 0.000 0.296 175 H C 2.250 177.607 175.328 0.049 0.000 1.074 175 H CA 2.625 58.679 56.048 0.010 0.000 1.263 175 H CB -0.287 29.495 29.762 0.034 0.000 1.363 175 H HN 0.240 nan 8.280 nan 0.000 0.489 176 V N 0.300 120.295 119.914 0.135 0.000 2.913 176 V HA -0.101 4.020 4.120 0.001 0.000 0.260 176 V C 2.086 178.241 176.094 0.101 0.000 1.098 176 V CA 1.428 63.815 62.300 0.146 0.000 1.121 176 V CB -0.716 31.224 31.823 0.196 0.000 0.714 176 V HN 0.459 nan 8.190 nan 0.000 0.487 177 L N -0.335 120.905 121.223 0.027 0.000 1.973 177 L HA -0.097 4.243 4.340 0.001 0.000 0.208 177 L C 2.692 179.616 176.870 0.091 0.000 1.073 177 L CA 1.963 56.852 54.840 0.082 0.000 0.746 177 L CB -0.728 41.228 42.059 -0.172 0.000 0.891 177 L HN 0.248 nan 8.230 nan 0.000 0.433 178 V N 0.018 119.910 119.914 -0.038 0.000 2.282 178 V HA -0.373 3.747 4.120 0.001 0.000 0.249 178 V C 2.572 178.593 176.094 -0.121 0.000 1.057 178 V CA 1.954 64.210 62.300 -0.073 0.000 1.032 178 V CB -0.569 31.189 31.823 -0.109 0.000 0.645 178 V HN 0.415 nan 8.190 nan 0.000 0.447 179 K N -0.268 120.022 120.400 -0.184 0.000 1.973 179 K HA -0.155 4.165 4.320 0.001 0.000 0.210 179 K C 2.034 178.535 176.600 -0.166 0.000 1.045 179 K CA 1.420 57.585 56.287 -0.203 0.000 0.937 179 K CB -0.199 32.139 32.500 -0.270 0.000 0.721 179 K HN 0.379 nan 8.250 nan 0.000 0.438 180 E N -0.354 119.777 120.200 -0.114 0.000 2.501 180 E HA -0.101 4.249 4.350 0.001 0.000 0.203 180 E C 0.808 177.093 176.600 -0.525 0.000 1.072 180 E CA 0.995 57.255 56.400 -0.232 0.000 0.885 180 E CB -0.173 29.478 29.700 -0.082 0.000 0.813 180 E HN 0.648 nan 8.360 nan 0.000 0.556 181 G N 0.533 109.113 108.800 -0.367 0.000 2.171 181 G HA2 -0.285 3.676 3.960 0.001 0.000 0.238 181 G HA3 -0.285 3.676 3.960 0.001 0.000 0.238 181 G C 0.449 175.136 174.900 -0.355 0.000 1.039 181 G CA 0.243 45.151 45.100 -0.319 0.000 0.759 181 G HN 0.258 nan 8.290 nan 0.000 0.501 182 F N 0.752 120.698 119.950 -0.007 0.000 2.270 182 F HA 0.426 4.953 4.527 0.001 0.000 0.295 182 F C 2.006 177.854 175.800 0.081 0.000 1.087 182 F CA 1.485 59.510 58.000 0.042 0.000 1.365 182 F CB -0.235 38.790 39.000 0.040 0.000 1.056 182 F HN 1.113 nan 8.300 nan 0.000 0.506 183 G N 1.208 110.128 108.800 0.200 0.000 2.705 183 G HA2 -0.105 3.855 3.960 0.001 0.000 0.686 183 G HA3 -0.105 3.855 3.960 0.001 0.000 0.686 183 G C -0.997 174.013 174.900 0.184 0.000 1.285 183 G CA -0.738 44.448 45.100 0.142 0.000 0.800 183 G HN 0.114 nan 8.290 nan 0.000 0.611 184 I N 1.930 122.572 120.570 0.120 0.000 2.448 184 I HA 0.311 4.481 4.170 0.001 0.000 0.281 184 I C 1.338 177.542 176.117 0.144 0.000 1.027 184 I CA -0.070 61.329 61.300 0.166 0.000 1.111 184 I CB 1.004 39.033 38.000 0.049 0.000 1.236 184 I HN 0.861 nan 8.210 nan 0.000 0.452 185 S N 3.260 119.065 115.700 0.175 0.000 2.425 185 S HA 0.049 4.519 4.470 0.001 0.000 0.225 185 S C 0.842 175.507 174.600 0.108 0.000 1.024 185 S CA 0.477 58.748 58.200 0.119 0.000 0.951 185 S CB 0.315 63.580 63.200 0.108 0.000 0.796 185 S HN 0.698 nan 8.310 nan 0.000 0.498 186 T N -0.413 114.227 114.554 0.144 0.000 3.097 186 T HA 0.592 4.942 4.350 0.001 0.000 0.332 186 T C -1.011 173.787 174.700 0.164 0.000 1.269 186 T CA -0.117 62.057 62.100 0.124 0.000 1.076 186 T CB 1.410 70.340 68.868 0.102 0.000 1.209 186 T HN 0.608 nan 8.240 nan 0.000 0.474 187 G N 2.599 111.477 108.800 0.129 0.000 2.667 187 G HA2 0.754 4.714 3.960 0.001 0.000 0.298 187 G HA3 0.754 4.714 3.960 0.001 0.000 0.298 187 G C -2.019 172.936 174.900 0.092 0.000 1.377 187 G CA -0.527 44.658 45.100 0.143 0.000 0.964 187 G HN 0.765 nan 8.290 nan 0.000 0.493 188 L N 0.709 121.985 121.223 0.090 0.000 2.388 188 L HA 0.784 5.124 4.340 0.001 0.000 0.264 188 L C -0.430 176.469 176.870 0.048 0.000 0.998 188 L CA -1.047 53.828 54.840 0.059 0.000 0.817 188 L CB 2.553 44.650 42.059 0.063 0.000 1.338 188 L HN 0.815 nan 8.230 nan 0.000 0.414 189 M N 0.587 120.204 119.600 0.029 0.000 2.433 189 M HA 0.666 5.147 4.480 0.001 0.000 0.290 189 M C -1.201 175.111 176.300 0.020 0.000 1.173 189 M CA -0.150 55.165 55.300 0.025 0.000 0.905 189 M CB 2.260 34.868 32.600 0.013 0.000 1.692 189 M HN 0.232 nan 8.290 nan 0.000 0.462 190 T N 1.337 115.914 114.554 0.038 0.000 2.856 190 T HA 0.746 5.097 4.350 0.001 0.000 0.283 190 T C -1.090 173.651 174.700 0.070 0.000 1.008 190 T CA -0.526 61.608 62.100 0.057 0.000 0.997 190 T CB 1.734 70.684 68.868 0.137 0.000 0.992 190 T HN 0.833 nan 8.240 nan 0.000 0.454 191 T N 1.810 116.417 114.554 0.088 0.000 2.812 191 T HA 0.542 4.892 4.350 0.001 0.000 0.282 191 T C -0.755 174.056 174.700 0.185 0.000 0.990 191 T CA -0.589 61.593 62.100 0.136 0.000 0.960 191 T CB 0.591 69.575 68.868 0.192 0.000 0.948 191 T HN 0.297 nan 8.240 nan 0.000 0.438 192 V N 7.155 127.157 119.914 0.147 0.000 2.408 192 V HA 0.360 4.480 4.120 0.001 0.000 0.267 192 V C 0.369 176.538 176.094 0.125 0.000 1.047 192 V CA -0.599 61.795 62.300 0.158 0.000 0.937 192 V CB 0.322 32.180 31.823 0.059 0.000 0.999 192 V HN 0.842 nan 8.190 nan 0.000 0.472 193 H N 2.766 121.878 119.070 0.070 0.000 2.569 193 H HA 0.469 5.025 4.556 0.001 0.000 0.357 193 H C -0.227 175.110 175.328 0.015 0.000 1.153 193 H CA -0.525 55.540 56.048 0.029 0.000 1.193 193 H CB 2.232 32.033 29.762 0.064 0.000 1.602 193 H HN 0.624 nan 8.280 nan 0.000 0.523 194 S N 2.701 118.183 115.700 -0.365 0.000 2.603 194 S HA 0.083 4.553 4.470 0.001 0.000 0.268 194 S C -0.512 174.090 174.600 0.004 0.000 1.317 194 S CA -0.585 57.468 58.200 -0.246 0.000 1.012 194 S CB 0.163 63.127 63.200 -0.392 0.000 0.926 194 S HN 0.459 nan 8.310 nan 0.000 0.539 195 Y N 0.191 120.539 120.300 0.079 0.000 2.357 195 Y HA 0.561 5.112 4.550 0.001 0.000 0.340 195 Y C 0.778 176.742 175.900 0.107 0.000 1.260 195 Y CA -0.838 57.329 58.100 0.111 0.000 1.425 195 Y CB -0.363 38.141 38.460 0.072 0.000 1.326 195 Y HN 0.646 nan 8.280 nan 0.000 0.580 196 T N -2.353 112.407 114.554 0.343 0.000 2.773 196 T HA 0.669 5.020 4.350 0.001 0.000 0.278 196 T C 0.756 175.571 174.700 0.191 0.000 1.011 196 T CA -0.637 61.602 62.100 0.232 0.000 1.014 196 T CB 1.148 70.120 68.868 0.173 0.000 1.293 196 T HN 0.962 nan 8.240 nan 0.000 0.554 197 A N 0.192 123.092 122.820 0.133 0.000 2.239 197 A HA 0.169 4.489 4.320 0.001 0.000 0.209 197 A C 1.938 179.566 177.584 0.074 0.000 1.171 197 A CA 1.372 53.468 52.037 0.099 0.000 0.768 197 A CB -1.350 17.697 19.000 0.077 0.000 0.790 197 A HN 1.027 nan 8.150 nan 0.000 0.478 198 T N -3.591 111.008 114.554 0.075 0.000 3.040 198 T HA 0.244 4.594 4.350 0.001 0.000 0.250 198 T C 0.807 175.536 174.700 0.048 0.000 1.058 198 T CA -0.113 62.019 62.100 0.053 0.000 0.988 198 T CB 0.040 68.934 68.868 0.043 0.000 0.993 198 T HN 0.415 nan 8.240 nan 0.000 0.519 199 Q N 1.055 120.891 119.800 0.059 0.000 2.500 199 Q HA 0.393 4.733 4.340 0.001 0.000 0.215 199 Q C -0.135 175.865 176.000 -0.001 0.000 1.062 199 Q CA -0.165 55.657 55.803 0.032 0.000 0.996 199 Q CB 0.616 29.375 28.738 0.035 0.000 1.239 199 Q HN 0.157 nan 8.270 nan 0.000 0.578 200 K N -0.038 120.347 120.400 -0.026 0.000 2.267 200 K HA 0.219 4.539 4.320 0.001 0.000 0.246 200 K C 0.708 177.263 176.600 -0.076 0.000 0.954 200 K CA -0.163 56.102 56.287 -0.036 0.000 0.824 200 K CB 1.619 34.104 32.500 -0.025 0.000 1.167 200 K HN 0.851 nan 8.250 nan 0.000 0.431 201 T N -2.197 112.313 114.554 -0.073 0.000 2.737 201 T HA -0.073 4.278 4.350 0.001 0.000 0.265 201 T C 1.305 175.960 174.700 -0.075 0.000 1.038 201 T CA 1.098 63.142 62.100 -0.094 0.000 1.144 201 T CB -0.366 68.464 68.868 -0.065 0.000 0.866 201 T HN 0.443 nan 8.240 nan 0.000 0.434 202 V N -1.020 118.864 119.914 -0.050 0.000 3.177 202 V HA 0.529 4.649 4.120 0.001 0.000 0.319 202 V C -0.847 175.226 176.094 -0.035 0.000 1.125 202 V CA -1.449 60.828 62.300 -0.039 0.000 1.029 202 V CB 1.231 33.036 31.823 -0.030 0.000 1.119 202 V HN 0.105 nan 8.190 nan 0.000 0.452 203 D N 1.860 122.241 120.400 -0.031 0.000 2.581 203 D HA 0.411 5.051 4.640 0.001 0.000 0.238 203 D C 0.355 176.633 176.300 -0.036 0.000 1.145 203 D CA 1.520 55.501 54.000 -0.032 0.000 0.866 203 D CB 0.841 41.620 40.800 -0.034 0.000 1.151 203 D HN 1.056 nan 8.370 nan 0.000 0.500 204 G N 0.544 109.323 108.800 -0.035 0.000 3.140 204 G HA2 0.515 4.475 3.960 0.001 0.000 0.271 204 G HA3 0.515 4.475 3.960 0.001 0.000 0.271 204 G C -0.943 173.930 174.900 -0.045 0.000 1.370 204 G CA -0.505 44.574 45.100 -0.034 0.000 1.014 204 G HN 0.318 nan 8.290 nan 0.000 0.541 205 V N 0.803 120.695 119.914 -0.036 0.000 2.350 205 V HA 0.580 4.700 4.120 0.001 0.000 0.276 205 V C 0.117 176.203 176.094 -0.013 0.000 1.028 205 V CA -0.231 62.044 62.300 -0.043 0.000 0.860 205 V CB 1.099 32.900 31.823 -0.036 0.000 0.990 205 V HN 0.615 nan 8.190 nan 0.000 0.453 206 S N 3.723 119.419 115.700 -0.006 0.000 2.293 206 S HA 0.175 4.645 4.470 0.001 0.000 0.154 206 S C 0.512 175.193 174.600 0.136 0.000 1.602 206 S CA -0.247 57.987 58.200 0.057 0.000 1.260 206 S CB 1.317 64.559 63.200 0.071 0.000 1.270 206 S HN 0.530 nan 8.310 nan 0.000 0.416 207 V N 4.198 124.188 119.914 0.127 0.000 2.867 207 V HA -0.035 4.086 4.120 0.001 0.000 0.260 207 V C 1.927 178.224 176.094 0.339 0.000 1.099 207 V CA 1.706 64.156 62.300 0.250 0.000 1.122 207 V CB -0.257 31.657 31.823 0.153 0.000 0.708 207 V HN 0.605 nan 8.190 nan 0.000 0.490 208 K N -0.207 120.313 120.400 0.201 0.000 2.099 208 K HA 0.057 4.378 4.320 0.001 0.000 0.203 208 K C 0.597 177.257 176.600 0.100 0.000 1.047 208 K CA 0.683 57.039 56.287 0.115 0.000 0.963 208 K CB -0.027 32.510 32.500 0.062 0.000 0.759 208 K HN 0.420 nan 8.250 nan 0.000 0.451 209 D N -0.348 120.139 120.400 0.144 0.000 2.464 209 D HA 0.050 4.691 4.640 0.001 0.000 0.243 209 D C 0.400 176.856 176.300 0.261 0.000 1.104 209 D CA -0.532 53.543 54.000 0.126 0.000 0.883 209 D CB 0.287 41.130 40.800 0.071 0.000 1.050 209 D HN -0.100 nan 8.370 nan 0.000 0.524 210 W N 2.842 124.140 121.300 -0.002 0.000 2.338 210 W HA -0.010 4.650 4.660 0.000 0.000 0.304 210 W C 2.059 178.581 176.519 0.004 0.000 1.212 210 W CA 0.452 57.798 57.345 0.001 0.000 1.264 210 W CB -0.478 28.983 29.460 0.002 0.000 1.142 210 W HN 0.467 nan 8.180 nan 0.000 0.512 211 R N -0.482 120.161 120.500 0.237 0.000 2.148 211 R HA -0.059 4.282 4.340 0.001 0.000 0.227 211 R C 2.405 178.764 176.300 0.099 0.000 1.103 211 R CA 1.204 57.388 56.100 0.140 0.000 0.983 211 R CB -0.860 29.504 30.300 0.107 0.000 0.874 211 R HN 0.215 nan 8.270 nan 0.000 0.451 212 G N -0.453 108.405 108.800 0.098 0.000 2.422 212 G HA2 -0.177 3.784 3.960 0.001 0.000 0.218 212 G HA3 -0.177 3.784 3.960 0.001 0.000 0.218 212 G C 1.368 176.300 174.900 0.054 0.000 1.140 212 G CA 0.674 45.816 45.100 0.071 0.000 0.775 212 G HN 0.445 nan 8.290 nan 0.000 0.545 213 G N 0.445 109.277 108.800 0.052 0.000 2.471 213 G HA2 -0.040 3.920 3.960 0.001 0.000 0.219 213 G HA3 -0.040 3.920 3.960 0.001 0.000 0.219 213 G C 1.043 175.945 174.900 0.002 0.000 1.125 213 G CA -0.289 44.822 45.100 0.018 0.000 0.775 213 G HN 0.206 nan 8.290 nan 0.000 0.548 214 R N 0.623 121.131 120.500 0.014 0.000 2.734 214 R HA 0.300 4.640 4.340 0.001 0.000 0.266 214 R C 0.637 176.932 176.300 -0.008 0.000 1.044 214 R CA -0.028 56.075 56.100 0.004 0.000 1.128 214 R CB -0.196 30.117 30.300 0.022 0.000 1.010 214 R HN 0.126 nan 8.270 nan 0.000 0.461 215 A N 1.518 124.327 122.820 -0.019 0.000 2.573 215 A HA 0.163 4.483 4.320 0.001 0.000 0.250 215 A C 1.304 178.859 177.584 -0.048 0.000 1.049 215 A CA 0.817 52.831 52.037 -0.038 0.000 0.767 215 A CB -0.042 18.939 19.000 -0.032 0.000 0.965 215 A HN 0.831 nan 8.150 nan 0.000 0.514 216 A N 3.174 125.931 122.820 -0.104 0.000 1.898 216 A HA 0.318 4.639 4.320 0.001 0.000 0.214 216 A C 2.038 179.525 177.584 -0.162 0.000 1.183 216 A CA 1.479 53.428 52.037 -0.146 0.000 0.622 216 A CB -0.499 18.332 19.000 -0.282 0.000 0.824 216 A HN 1.776 nan 8.150 nan 0.000 0.444 217 A N -0.966 121.725 122.820 -0.216 0.000 2.302 217 A HA 0.498 4.819 4.320 0.001 0.000 0.219 217 A C 1.259 178.836 177.584 -0.011 0.000 1.243 217 A CA 0.185 52.161 52.037 -0.103 0.000 0.856 217 A CB -0.394 18.530 19.000 -0.126 0.000 0.893 217 A HN 0.409 nan 8.150 nan 0.000 0.491 218 L N -0.946 120.270 121.223 -0.011 0.000 2.858 218 L HA 0.284 4.624 4.340 0.001 0.000 0.251 218 L C -0.261 176.623 176.870 0.023 0.000 1.149 218 L CA -0.038 54.806 54.840 0.007 0.000 0.955 218 L CB 0.049 42.106 42.059 -0.004 0.000 1.289 218 L HN 0.294 nan 8.230 nan 0.000 0.542 219 N N 0.186 118.909 118.700 0.039 0.000 2.455 219 N HA 0.524 5.264 4.740 0.001 0.000 0.278 219 N C -1.015 174.542 175.510 0.078 0.000 1.291 219 N CA -0.533 52.549 53.050 0.053 0.000 0.780 219 N CB 3.054 41.572 38.487 0.051 0.000 1.520 219 N HN -0.116 nan 8.380 nan 0.000 0.486 220 I N 1.874 122.491 120.570 0.078 0.000 2.321 220 I HA 0.419 4.589 4.170 0.001 0.000 0.291 220 I C -0.216 175.995 176.117 0.157 0.000 0.998 220 I CA -0.416 60.950 61.300 0.109 0.000 1.227 220 I CB 0.959 38.985 38.000 0.045 0.000 1.368 220 I HN 0.252 nan 8.210 nan 0.000 0.466 221 I N 8.138 128.830 120.570 0.203 0.000 2.437 221 I HA 0.318 4.488 4.170 0.001 0.000 0.279 221 I C -2.404 173.826 176.117 0.188 0.000 1.028 221 I CA -1.993 59.410 61.300 0.173 0.000 1.142 221 I CB 1.477 39.551 38.000 0.124 0.000 1.266 221 I HN 0.210 nan 8.210 nan 0.000 0.461 222 P HA 0.118 nan 4.420 nan 0.000 0.269 222 P C -0.385 176.869 177.300 -0.076 0.000 1.209 222 P CA 0.158 63.244 63.100 -0.022 0.000 0.776 222 P CB 0.935 32.636 31.700 0.003 0.000 0.876 223 S N 0.053 115.644 115.700 -0.181 0.000 2.588 223 S HA 0.600 5.071 4.470 0.001 0.000 0.269 223 S C -0.499 174.010 174.600 -0.152 0.000 1.157 223 S CA -0.470 57.661 58.200 -0.116 0.000 0.824 223 S CB 0.635 63.798 63.200 -0.061 0.000 1.126 223 S HN 0.533 nan 8.310 nan 0.000 0.464 224 T N -0.171 114.319 114.554 -0.107 0.000 2.833 224 T HA 0.777 5.127 4.350 0.001 0.000 0.292 224 T C 0.050 174.693 174.700 -0.094 0.000 1.031 224 T CA -0.355 61.685 62.100 -0.101 0.000 0.937 224 T CB 1.261 70.083 68.868 -0.076 0.000 1.256 224 T HN 0.740 nan 8.240 nan 0.000 0.551 225 T N -1.874 112.633 114.554 -0.078 0.000 3.003 225 T HA 0.541 4.891 4.350 0.001 0.000 0.354 225 T C 0.379 175.046 174.700 -0.054 0.000 1.651 225 T CA -0.095 61.962 62.100 -0.071 0.000 1.103 225 T CB 1.013 69.836 68.868 -0.076 0.000 1.450 225 T HN 1.020 nan 8.240 nan 0.000 0.484 226 G N 0.717 109.488 108.800 -0.047 0.000 3.324 226 G HA2 0.467 4.428 3.960 0.001 0.000 0.251 226 G HA3 0.467 4.428 3.960 0.001 0.000 0.251 226 G C 1.441 176.321 174.900 -0.033 0.000 1.072 226 G CA 0.755 45.834 45.100 -0.036 0.000 0.787 226 G HN 0.928 nan 8.290 nan 0.000 0.537 227 A N 1.411 124.208 122.820 -0.039 0.000 1.883 227 A HA 0.176 4.497 4.320 0.001 0.000 0.217 227 A C 2.748 180.312 177.584 -0.032 0.000 1.186 227 A CA 2.382 54.396 52.037 -0.038 0.000 0.624 227 A CB -0.732 18.240 19.000 -0.046 0.000 0.822 227 A HN 0.718 nan 8.150 nan 0.000 0.444 228 A N -0.648 122.155 122.820 -0.029 0.000 1.845 228 A HA -0.159 4.162 4.320 0.001 0.000 0.215 228 A C 2.061 179.635 177.584 -0.018 0.000 1.195 228 A CA 2.047 54.071 52.037 -0.022 0.000 0.616 228 A CB -0.662 18.330 19.000 -0.015 0.000 0.832 228 A HN 0.519 nan 8.150 nan 0.000 0.443 229 K N -0.727 119.662 120.400 -0.018 0.000 2.056 229 K HA -0.317 4.004 4.320 0.001 0.000 0.225 229 K C 2.011 178.601 176.600 -0.016 0.000 1.053 229 K CA 2.107 58.385 56.287 -0.016 0.000 0.966 229 K CB -0.432 32.057 32.500 -0.018 0.000 0.735 229 K HN 0.465 nan 8.250 nan 0.000 0.455 230 A N 0.126 122.935 122.820 -0.018 0.000 2.172 230 A HA -0.061 4.260 4.320 0.001 0.000 0.216 230 A C 2.093 179.666 177.584 -0.018 0.000 1.154 230 A CA 1.242 53.269 52.037 -0.018 0.000 0.701 230 A CB -0.232 18.759 19.000 -0.016 0.000 0.789 230 A HN 0.199 nan 8.150 nan 0.000 0.465 231 V N -0.253 119.651 119.914 -0.017 0.000 2.358 231 V HA -0.171 3.950 4.120 0.001 0.000 0.246 231 V C 2.762 178.851 176.094 -0.008 0.000 1.047 231 V CA 1.903 64.195 62.300 -0.013 0.000 1.035 231 V CB -1.197 30.617 31.823 -0.016 0.000 0.658 231 V HN 0.600 nan 8.190 nan 0.000 0.452 232 G N -1.030 107.765 108.800 -0.009 0.000 2.498 232 G HA2 -0.227 3.733 3.960 0.001 0.000 0.219 232 G HA3 -0.227 3.733 3.960 0.001 0.000 0.219 232 G C 1.547 176.440 174.900 -0.012 0.000 1.119 232 G CA 0.671 45.767 45.100 -0.007 0.000 0.766 232 G HN 0.414 nan 8.290 nan 0.000 0.552 233 M N -0.315 119.273 119.600 -0.019 0.000 2.200 233 M HA 0.019 4.500 4.480 0.001 0.000 0.265 233 M C 2.467 178.746 176.300 -0.036 0.000 1.066 233 M CA 0.913 56.195 55.300 -0.031 0.000 1.127 233 M CB -0.025 32.551 32.600 -0.040 0.000 1.379 233 M HN 0.123 nan 8.290 nan 0.000 0.420 234 V N -0.232 119.668 119.914 -0.024 0.000 2.878 234 V HA 0.049 4.169 4.120 0.001 0.000 0.250 234 V C 0.832 176.936 176.094 0.017 0.000 1.075 234 V CA 0.965 63.255 62.300 -0.015 0.000 1.096 234 V CB 0.322 32.140 31.823 -0.008 0.000 0.724 234 V HN 0.301 nan 8.190 nan 0.000 0.467 235 I N 0.619 121.200 120.570 0.018 0.000 2.641 235 I HA 0.238 4.409 4.170 0.001 0.000 0.275 235 I C -2.015 174.108 176.117 0.011 0.000 1.129 235 I CA -1.321 59.997 61.300 0.031 0.000 1.094 235 I CB 2.054 40.080 38.000 0.044 0.000 1.232 235 I HN 0.084 nan 8.210 nan 0.000 0.503 236 P HA -0.178 nan 4.420 nan 0.000 0.219 236 P C 1.781 179.082 177.300 0.001 0.000 1.146 236 P CA 1.027 64.127 63.100 -0.001 0.000 0.808 236 P CB 0.288 31.987 31.700 -0.002 0.000 0.779 237 S N -0.409 115.292 115.700 0.002 0.000 2.413 237 S HA -0.200 4.270 4.470 0.001 0.000 0.237 237 S C 1.494 176.096 174.600 0.003 0.000 1.044 237 S CA 2.195 60.395 58.200 0.000 0.000 1.024 237 S CB -1.301 61.895 63.200 -0.005 0.000 0.829 237 S HN 0.365 nan 8.310 nan 0.000 0.475 238 T N -0.974 113.582 114.554 0.003 0.000 3.269 238 T HA 0.390 4.740 4.350 0.001 0.000 0.269 238 T C 0.002 174.706 174.700 0.006 0.000 0.993 238 T CA -0.503 61.600 62.100 0.006 0.000 0.909 238 T CB 0.043 68.912 68.868 0.002 0.000 1.115 238 T HN 0.338 nan 8.240 nan 0.000 0.543 239 Q N 1.002 120.805 119.800 0.004 0.000 2.286 239 Q HA 0.458 4.799 4.340 0.001 0.000 0.267 239 Q C 1.086 177.089 176.000 0.006 0.000 1.028 239 Q CA 0.781 56.585 55.803 0.002 0.000 0.901 239 Q CB 0.408 29.146 28.738 -0.001 0.000 1.183 239 Q HN 0.766 nan 8.270 nan 0.000 0.392 240 G N 3.153 111.956 108.800 0.005 0.000 2.149 240 G HA2 -0.275 3.685 3.960 0.001 0.000 0.235 240 G HA3 -0.275 3.685 3.960 0.001 0.000 0.235 240 G C 0.353 175.262 174.900 0.015 0.000 1.018 240 G CA 0.211 45.315 45.100 0.008 0.000 0.728 240 G HN 0.660 nan 8.290 nan 0.000 0.508 241 K N -1.229 119.182 120.400 0.019 0.000 2.440 241 K HA 0.423 4.744 4.320 0.001 0.000 0.207 241 K C 0.566 177.187 176.600 0.035 0.000 1.112 241 K CA -0.060 56.246 56.287 0.031 0.000 1.036 241 K CB 0.984 33.506 32.500 0.037 0.000 0.935 241 K HN 0.363 nan 8.250 nan 0.000 0.564 242 L N 0.200 121.436 121.223 0.022 0.000 2.370 242 L HA 0.467 4.807 4.340 0.001 0.000 0.266 242 L C -0.375 176.502 176.870 0.012 0.000 1.002 242 L CA -0.413 54.439 54.840 0.020 0.000 0.818 242 L CB 2.422 44.486 42.059 0.008 0.000 1.325 242 L HN -0.130 nan 8.230 nan 0.000 0.418 243 T N 0.659 115.220 114.554 0.012 0.000 2.677 243 T HA 0.796 5.146 4.350 0.001 0.000 0.305 243 T C -1.105 173.594 174.700 -0.002 0.000 1.569 243 T CA 0.154 62.254 62.100 -0.000 0.000 0.984 243 T CB 1.775 70.642 68.868 -0.002 0.000 1.629 243 T HN 0.952 nan 8.240 nan 0.000 0.494 244 G N 0.595 109.384 108.800 -0.018 0.000 2.340 244 G HA2 0.572 4.532 3.960 0.001 0.000 0.299 244 G HA3 0.572 4.532 3.960 0.001 0.000 0.299 244 G C -1.501 173.363 174.900 -0.061 0.000 1.291 244 G CA -0.146 44.938 45.100 -0.027 0.000 0.841 244 G HN 1.041 nan 8.290 nan 0.000 0.500 245 M N -1.256 118.289 119.600 -0.092 0.000 2.744 245 M HA 0.934 5.414 4.480 0.001 0.000 0.283 245 M C -0.411 175.774 176.300 -0.192 0.000 1.275 245 M CA -1.107 54.093 55.300 -0.167 0.000 0.796 245 M CB 1.921 34.366 32.600 -0.258 0.000 1.739 245 M HN 1.492 nan 8.290 nan 0.000 0.454 246 A N 0.505 123.171 122.820 -0.257 0.000 2.384 246 A HA 0.922 5.242 4.320 0.001 0.000 0.312 246 A C -1.861 175.506 177.584 -0.361 0.000 1.113 246 A CA -0.565 51.357 52.037 -0.191 0.000 0.779 246 A CB 1.200 20.141 19.000 -0.098 0.000 1.307 246 A HN 0.684 nan 8.150 nan 0.000 0.436 247 F N 1.111 121.094 119.950 0.055 0.000 2.507 247 F HA 0.443 4.971 4.527 0.001 0.000 0.328 247 F C 0.525 176.381 175.800 0.093 0.000 1.136 247 F CA -0.467 57.568 58.000 0.059 0.000 0.930 247 F CB 1.897 40.924 39.000 0.046 0.000 1.166 247 F HN 0.422 nan 8.300 nan 0.000 0.436 248 R N 3.400 124.061 120.500 0.268 0.000 2.210 248 R HA 0.480 4.821 4.340 0.001 0.000 0.338 248 R C -0.585 175.847 176.300 0.220 0.000 1.062 248 R CA -0.396 55.847 56.100 0.239 0.000 0.902 248 R CB 1.142 31.563 30.300 0.202 0.000 1.050 248 R HN 0.526 nan 8.270 nan 0.000 0.461 249 V N 0.744 120.774 119.914 0.193 0.000 2.769 249 V HA 0.512 4.633 4.120 0.001 0.000 0.312 249 V C -2.321 173.886 176.094 0.189 0.000 1.058 249 V CA -2.781 59.609 62.300 0.151 0.000 0.952 249 V CB 2.018 33.896 31.823 0.092 0.000 1.019 249 V HN 0.434 nan 8.190 nan 0.000 0.445 250 P HA 0.177 nan 4.420 nan 0.000 0.237 250 P C -0.100 177.310 177.300 0.183 0.000 1.701 250 P CA 0.512 63.810 63.100 0.330 0.000 0.955 250 P CB -0.896 30.931 31.700 0.211 0.000 1.937 251 T N -3.859 110.652 114.554 -0.071 0.000 2.887 251 T HA 0.653 5.003 4.350 0.001 0.000 0.288 251 T C 1.069 175.326 174.700 -0.739 0.000 1.021 251 T CA -0.712 61.224 62.100 -0.274 0.000 1.000 251 T CB 2.180 70.956 68.868 -0.153 0.000 1.034 251 T HN -0.056 nan 8.240 nan 0.000 0.467 252 A N 1.300 123.758 122.820 -0.604 0.000 1.970 252 A HA 0.317 4.637 4.320 0.001 0.000 0.216 252 A C 0.721 178.071 177.584 -0.391 0.000 1.170 252 A CA 0.913 52.569 52.037 -0.634 0.000 0.645 252 A CB -0.514 18.322 19.000 -0.272 0.000 0.816 252 A HN 0.882 nan 8.150 nan 0.000 0.447 253 D N -3.114 117.108 120.400 -0.297 0.000 2.609 253 D HA 0.464 5.105 4.640 0.001 0.000 0.239 253 D C -1.056 175.125 176.300 -0.198 0.000 1.229 253 D CA 0.453 54.322 54.000 -0.218 0.000 0.808 253 D CB 1.814 42.507 40.800 -0.178 0.000 1.448 253 D HN 0.537 nan 8.370 nan 0.000 0.433 254 V N 0.119 119.916 119.914 -0.196 0.000 3.465 254 V HA 0.154 4.274 4.120 0.001 0.000 0.497 254 V C -0.453 175.419 176.094 -0.372 0.000 0.682 254 V CA -0.098 62.077 62.300 -0.209 0.000 2.045 254 V CB -1.192 30.602 31.823 -0.048 0.000 2.481 254 V HN 0.742 nan 8.190 nan 0.000 0.506 255 S N 0.112 115.465 115.700 -0.579 0.000 2.643 255 S HA 0.901 5.371 4.470 0.001 0.000 0.270 255 S C -0.797 173.455 174.600 -0.580 0.000 1.166 255 S CA -0.127 57.690 58.200 -0.639 0.000 0.815 255 S CB 2.289 64.942 63.200 -0.912 0.000 1.139 255 S HN 2.069 nan 8.310 nan 0.000 0.472 256 V N 0.917 120.651 119.914 -0.300 0.000 2.971 256 V HA 0.785 4.906 4.120 0.001 0.000 0.309 256 V C -1.677 174.411 176.094 -0.010 0.000 1.130 256 V CA -0.448 61.690 62.300 -0.271 0.000 0.964 256 V CB 2.001 33.318 31.823 -0.844 0.000 1.029 256 V HN 0.715 nan 8.190 nan 0.000 0.427 257 V N 4.541 124.449 119.914 -0.009 0.000 2.417 257 V HA 0.519 4.640 4.120 0.001 0.000 0.291 257 V C -0.808 175.252 176.094 -0.058 0.000 1.024 257 V CA -0.324 61.985 62.300 0.016 0.000 0.861 257 V CB 1.750 33.584 31.823 0.018 0.000 0.985 257 V HN 0.962 nan 8.190 nan 0.000 0.436 258 D N 4.641 125.027 120.400 -0.024 0.000 2.462 258 D HA 0.340 4.980 4.640 0.001 0.000 0.249 258 D C -0.864 175.443 176.300 0.012 0.000 1.117 258 D CA -0.354 53.632 54.000 -0.023 0.000 0.900 258 D CB 1.254 42.043 40.800 -0.017 0.000 1.039 258 D HN 0.322 nan 8.370 nan 0.000 0.516 259 L N 3.146 124.385 121.223 0.027 0.000 2.289 259 L HA 0.592 4.933 4.340 0.001 0.000 0.285 259 L C -0.609 176.321 176.870 0.100 0.000 1.049 259 L CA 0.079 54.956 54.840 0.061 0.000 0.804 259 L CB 1.689 43.780 42.059 0.052 0.000 1.195 259 L HN 0.252 nan 8.230 nan 0.000 0.428 260 T N 6.708 121.315 114.554 0.088 0.000 2.864 260 T HA 0.600 4.950 4.350 0.001 0.000 0.299 260 T C -0.831 173.916 174.700 0.079 0.000 1.011 260 T CA -0.143 61.953 62.100 -0.007 0.000 0.975 260 T CB 0.317 69.125 68.868 -0.100 0.000 0.962 260 T HN 0.455 nan 8.240 nan 0.000 0.448 261 F N 1.369 121.246 119.950 -0.121 0.000 2.650 261 F HA 0.842 5.369 4.527 0.001 0.000 0.320 261 F C -1.699 174.126 175.800 0.042 0.000 1.091 261 F CA -1.836 56.158 58.000 -0.010 0.000 0.962 261 F CB 1.153 40.170 39.000 0.028 0.000 1.363 261 F HN 0.317 nan 8.300 nan 0.000 0.482 262 I N 2.582 123.233 120.570 0.135 0.000 2.362 262 I HA 0.576 4.747 4.170 0.001 0.000 0.289 262 I C 0.193 176.470 176.117 0.266 0.000 0.994 262 I CA -0.968 60.389 61.300 0.096 0.000 1.158 262 I CB 1.488 39.586 38.000 0.164 0.000 1.315 262 I HN 0.995 nan 8.210 nan 0.000 0.451 263 A N 4.349 127.310 122.820 0.234 0.000 2.327 263 A HA 0.278 4.599 4.320 0.001 0.000 0.255 263 A C 1.036 178.776 177.584 0.259 0.000 1.099 263 A CA 0.022 52.298 52.037 0.397 0.000 0.801 263 A CB 0.440 19.724 19.000 0.473 0.000 1.062 263 A HN 0.743 nan 8.150 nan 0.000 0.496 264 T N -0.227 114.473 114.554 0.245 0.000 3.051 264 T HA 0.137 4.487 4.350 0.001 0.000 0.255 264 T C 0.634 175.410 174.700 0.127 0.000 1.085 264 T CA 1.127 63.320 62.100 0.156 0.000 1.109 264 T CB -0.245 68.698 68.868 0.126 0.000 0.921 264 T HN 0.804 nan 8.240 nan 0.000 0.488 265 R N 0.363 120.958 120.500 0.158 0.000 2.734 265 R HA 0.523 4.863 4.340 0.001 0.000 0.271 265 R C -1.987 174.416 176.300 0.171 0.000 1.021 265 R CA -1.042 55.134 56.100 0.125 0.000 0.893 265 R CB 0.654 31.005 30.300 0.085 0.000 1.244 265 R HN -0.162 nan 8.270 nan 0.000 0.464 266 D N 1.249 121.732 120.400 0.138 0.000 2.400 266 D HA 0.300 4.940 4.640 0.001 0.000 0.238 266 D C 0.092 176.519 176.300 0.211 0.000 1.157 266 D CA 0.719 54.818 54.000 0.165 0.000 0.889 266 D CB 1.020 41.888 40.800 0.112 0.000 1.199 266 D HN 0.707 nan 8.370 nan 0.000 0.436 267 T N -2.305 112.407 114.554 0.264 0.000 2.646 267 T HA 0.653 5.004 4.350 0.001 0.000 0.297 267 T C -0.830 174.011 174.700 0.234 0.000 1.363 267 T CA -0.931 61.308 62.100 0.231 0.000 1.056 267 T CB 0.931 69.916 68.868 0.195 0.000 1.779 267 T HN 0.423 nan 8.240 nan 0.000 0.459 268 S N -0.978 114.788 115.700 0.109 0.000 2.556 268 S HA 0.614 5.084 4.470 0.001 0.000 0.271 268 S C 0.363 174.899 174.600 -0.107 0.000 1.135 268 S CA -0.760 57.507 58.200 0.112 0.000 0.858 268 S CB 1.638 64.893 63.200 0.091 0.000 1.114 268 S HN 0.668 nan 8.310 nan 0.000 0.468 269 I N 1.628 122.172 120.570 -0.043 0.000 2.361 269 I HA -0.041 4.130 4.170 0.001 0.000 0.251 269 I C 2.128 178.181 176.117 -0.108 0.000 1.133 269 I CA 1.483 62.687 61.300 -0.159 0.000 1.413 269 I CB -0.461 37.556 38.000 0.029 0.000 1.073 269 I HN 0.685 nan 8.210 nan 0.000 0.424 270 K N 0.697 121.076 120.400 -0.035 0.000 2.044 270 K HA -0.218 4.103 4.320 0.001 0.000 0.210 270 K C 1.939 178.514 176.600 -0.043 0.000 1.049 270 K CA 2.005 58.280 56.287 -0.019 0.000 0.927 270 K CB -0.430 32.076 32.500 0.011 0.000 0.713 270 K HN 0.556 nan 8.250 nan 0.000 0.443 271 E N 0.011 120.181 120.200 -0.050 0.000 2.158 271 E HA -0.021 4.329 4.350 0.001 0.000 0.191 271 E C 2.202 178.746 176.600 -0.093 0.000 0.982 271 E CA 0.503 56.895 56.400 -0.013 0.000 0.823 271 E CB -0.084 29.662 29.700 0.077 0.000 0.766 271 E HN 0.242 nan 8.360 nan 0.000 0.468 272 I N 1.594 121.971 120.570 -0.321 0.000 2.252 272 I HA -0.242 3.928 4.170 0.001 0.000 0.245 272 I C 2.300 178.199 176.117 -0.364 0.000 1.102 272 I CA 1.330 62.285 61.300 -0.575 0.000 1.385 272 I CB -0.254 37.312 38.000 -0.723 0.000 1.064 272 I HN 0.073 nan 8.210 nan 0.000 0.414 273 D N 1.183 121.448 120.400 -0.225 0.000 2.127 273 D HA -0.261 4.379 4.640 0.001 0.000 0.190 273 D C 2.191 178.391 176.300 -0.166 0.000 1.000 273 D CA 2.056 55.981 54.000 -0.125 0.000 0.839 273 D CB 0.027 40.828 40.800 0.000 0.000 0.955 273 D HN 0.310 nan 8.370 nan 0.000 0.446 274 A N 0.403 123.158 122.820 -0.108 0.000 1.883 274 A HA -0.027 4.294 4.320 0.001 0.000 0.217 274 A C 2.430 179.971 177.584 -0.071 0.000 1.186 274 A CA 2.559 54.549 52.037 -0.079 0.000 0.624 274 A CB -1.324 17.661 19.000 -0.025 0.000 0.822 274 A HN 0.386 nan 8.150 nan 0.000 0.444 275 A N -0.425 122.376 122.820 -0.032 0.000 1.940 275 A HA -0.085 4.235 4.320 0.001 0.000 0.219 275 A C 2.184 179.738 177.584 -0.050 0.000 1.176 275 A CA 1.632 53.691 52.037 0.038 0.000 0.631 275 A CB -0.604 18.526 19.000 0.217 0.000 0.814 275 A HN 0.496 nan 8.150 nan 0.000 0.446 276 L N -0.951 120.156 121.223 -0.194 0.000 2.056 276 L HA -0.169 4.172 4.340 0.001 0.000 0.207 276 L C 2.556 179.320 176.870 -0.177 0.000 1.078 276 L CA 1.641 56.311 54.840 -0.283 0.000 0.749 276 L CB -0.403 41.256 42.059 -0.666 0.000 0.901 276 L HN 0.326 nan 8.230 nan 0.000 0.433 277 K N -0.370 119.901 120.400 -0.215 0.000 2.147 277 K HA -0.177 4.144 4.320 0.001 0.000 0.205 277 K C 2.265 178.875 176.600 0.017 0.000 1.049 277 K CA 0.994 57.157 56.287 -0.207 0.000 0.936 277 K CB -0.126 32.046 32.500 -0.546 0.000 0.722 277 K HN 0.187 nan 8.250 nan 0.000 0.446 278 R N 0.785 121.275 120.500 -0.016 0.000 2.066 278 R HA -0.079 4.261 4.340 0.001 0.000 0.232 278 R C 2.261 178.551 176.300 -0.017 0.000 1.131 278 R CA 1.299 57.413 56.100 0.023 0.000 0.955 278 R CB -0.239 30.087 30.300 0.043 0.000 0.851 278 R HN 0.176 nan 8.270 nan 0.000 0.432 279 A N 0.096 122.853 122.820 -0.104 0.000 2.024 279 A HA -0.152 4.169 4.320 0.001 0.000 0.220 279 A C 2.085 179.508 177.584 -0.269 0.000 1.164 279 A CA 1.875 53.687 52.037 -0.375 0.000 0.643 279 A CB -0.364 18.375 19.000 -0.435 0.000 0.806 279 A HN 0.381 nan 8.150 nan 0.000 0.451 280 S N -0.294 115.367 115.700 -0.066 0.000 2.402 280 S HA -0.093 4.378 4.470 0.001 0.000 0.229 280 S C 1.742 176.347 174.600 0.007 0.000 1.021 280 S CA 1.403 59.615 58.200 0.020 0.000 0.974 280 S CB -0.103 63.224 63.200 0.212 0.000 0.800 280 S HN 0.682 nan 8.310 nan 0.000 0.484 281 K N 0.491 120.906 120.400 0.024 0.000 2.379 281 K HA 0.142 4.462 4.320 0.001 0.000 0.194 281 K C 0.979 177.591 176.600 0.020 0.000 1.031 281 K CA 0.680 56.987 56.287 0.034 0.000 1.037 281 K CB 0.328 32.868 32.500 0.067 0.000 0.824 281 K HN 0.342 nan 8.250 nan 0.000 0.516 282 T N -0.190 114.359 114.554 -0.008 0.000 1.944 282 T HA -0.004 4.347 4.350 0.001 0.000 0.177 282 T C 1.492 176.215 174.700 0.038 0.000 0.694 282 T CA -0.183 61.947 62.100 0.050 0.000 1.337 282 T CB -0.830 68.129 68.868 0.152 0.000 3.196 282 T HN 0.211 nan 8.240 nan 0.000 0.405 283 Y N 0.520 120.845 120.300 0.043 0.000 2.509 283 Y HA 0.338 4.888 4.550 0.001 0.000 0.293 283 Y C 1.794 177.710 175.900 0.027 0.000 1.133 283 Y CA 0.495 58.620 58.100 0.041 0.000 1.283 283 Y CB -0.504 37.990 38.460 0.057 0.000 1.001 283 Y HN 0.036 nan 8.280 nan 0.000 0.555 284 M N 1.067 120.476 119.600 -0.318 0.000 2.356 284 M HA 0.159 4.639 4.480 0.001 0.000 0.262 284 M C 0.233 176.459 176.300 -0.123 0.000 1.097 284 M CA -0.166 55.007 55.300 -0.212 0.000 0.991 284 M CB -0.182 32.229 32.600 -0.315 0.000 1.450 284 M HN 0.143 nan 8.290 nan 0.000 0.495 285 K N 1.991 122.338 120.400 -0.088 0.000 2.530 285 K HA -0.144 4.177 4.320 0.001 0.000 0.280 285 K C 0.263 176.842 176.600 -0.034 0.000 1.004 285 K CA 1.095 57.356 56.287 -0.044 0.000 1.071 285 K CB 0.238 32.728 32.500 -0.016 0.000 0.876 285 K HN 0.353 nan 8.250 nan 0.000 0.487 286 N N 1.524 120.208 118.700 -0.026 0.000 2.924 286 N HA -0.252 4.489 4.740 0.001 0.000 0.210 286 N C 0.517 176.010 175.510 -0.029 0.000 0.902 286 N CA 1.578 54.615 53.050 -0.022 0.000 1.061 286 N CB -0.852 37.624 38.487 -0.018 0.000 0.985 286 N HN 0.413 nan 8.380 nan 0.000 0.600 287 I N 0.025 120.567 120.570 -0.048 0.000 2.272 287 I HA 0.138 4.308 4.170 0.001 0.000 0.235 287 I C 1.079 177.180 176.117 -0.027 0.000 1.071 287 I CA 0.669 61.935 61.300 -0.058 0.000 1.374 287 I CB -0.964 36.976 38.000 -0.100 0.000 1.121 287 I HN 0.243 nan 8.210 nan 0.000 0.420 288 L N 0.984 122.189 121.223 -0.031 0.000 2.292 288 L HA 0.657 4.997 4.340 0.001 0.000 0.284 288 L C 0.046 176.941 176.870 0.041 0.000 1.065 288 L CA 0.187 55.031 54.840 0.008 0.000 0.806 288 L CB 1.082 43.129 42.059 -0.020 0.000 1.175 288 L HN 0.189 nan 8.230 nan 0.000 0.431 289 G N 3.282 112.139 108.800 0.095 0.000 2.685 289 G HA2 0.584 4.545 3.960 0.001 0.000 0.298 289 G HA3 0.584 4.545 3.960 0.001 0.000 0.298 289 G C -1.832 173.214 174.900 0.243 0.000 1.277 289 G CA -0.410 44.754 45.100 0.107 0.000 0.986 289 G HN 0.797 nan 8.290 nan 0.000 0.487 290 Y N -1.967 118.422 120.300 0.149 0.000 2.638 290 Y HA 0.839 5.389 4.550 0.001 0.000 0.339 290 Y C -0.511 175.475 175.900 0.143 0.000 1.084 290 Y CA -1.174 57.049 58.100 0.204 0.000 1.068 290 Y CB 2.068 40.709 38.460 0.301 0.000 1.294 290 Y HN 0.704 nan 8.280 nan 0.000 0.480 291 T N 1.031 115.793 114.554 0.347 0.000 2.909 291 T HA 0.385 4.736 4.350 0.001 0.000 0.299 291 T C -1.430 173.426 174.700 0.259 0.000 1.073 291 T CA -0.459 61.763 62.100 0.202 0.000 0.999 291 T CB 1.081 70.045 68.868 0.161 0.000 1.098 291 T HN 0.886 nan 8.240 nan 0.000 0.477 292 D N 2.009 122.524 120.400 0.192 0.000 2.720 292 D HA 0.277 4.918 4.640 0.001 0.000 0.285 292 D C 0.219 176.557 176.300 0.062 0.000 1.359 292 D CA -0.387 53.689 54.000 0.128 0.000 0.818 292 D CB 0.296 41.188 40.800 0.153 0.000 1.108 292 D HN 0.585 nan 8.370 nan 0.000 0.474 293 E N 0.147 120.367 120.200 0.033 0.000 2.285 293 E HA 0.294 4.644 4.350 0.001 0.000 0.254 293 E C -0.062 176.534 176.600 -0.007 0.000 1.011 293 E CA -0.825 55.571 56.400 -0.008 0.000 0.873 293 E CB 1.168 30.835 29.700 -0.054 0.000 1.229 293 E HN 0.026 nan 8.360 nan 0.000 0.422 294 E N 1.407 121.590 120.200 -0.029 0.000 2.341 294 E HA 0.174 4.525 4.350 0.001 0.000 0.279 294 E C -0.402 176.164 176.600 -0.057 0.000 1.395 294 E CA -0.094 56.297 56.400 -0.014 0.000 1.648 294 E CB -0.303 29.390 29.700 -0.012 0.000 1.524 294 E HN 0.267 nan 8.360 nan 0.000 0.462 295 L N 0.861 122.022 121.223 -0.103 0.000 2.417 295 L HA 0.188 4.529 4.340 0.001 0.000 0.268 295 L C 0.736 177.477 176.870 -0.215 0.000 1.158 295 L CA -0.642 54.045 54.840 -0.255 0.000 0.819 295 L CB 0.650 42.395 42.059 -0.524 0.000 1.112 295 L HN -0.009 nan 8.230 nan 0.000 0.458 296 V N -1.062 118.690 119.914 -0.269 0.000 3.211 296 V HA 0.406 4.526 4.120 0.001 0.000 0.319 296 V C 1.181 177.053 176.094 -0.370 0.000 1.096 296 V CA 0.014 62.190 62.300 -0.207 0.000 1.029 296 V CB 1.413 33.188 31.823 -0.081 0.000 1.137 296 V HN 0.926 nan 8.190 nan 0.000 0.453 297 S N 1.212 116.786 115.700 -0.209 0.000 2.372 297 S HA -0.260 4.210 4.470 0.001 0.000 0.227 297 S C 1.930 176.477 174.600 -0.088 0.000 1.044 297 S CA 2.123 60.266 58.200 -0.096 0.000 1.050 297 S CB -1.259 62.029 63.200 0.147 0.000 0.901 297 S HN 1.834 nan 8.310 nan 0.000 0.447 298 A N 1.811 124.551 122.820 -0.133 0.000 2.076 298 A HA -0.105 4.215 4.320 0.001 0.000 0.220 298 A C 1.765 179.204 177.584 -0.241 0.000 1.160 298 A CA 1.611 53.553 52.037 -0.157 0.000 0.653 298 A CB -0.701 18.215 19.000 -0.140 0.000 0.801 298 A HN 0.632 nan 8.150 nan 0.000 0.455 299 D N -1.495 118.667 120.400 -0.396 0.000 2.349 299 D HA 0.049 4.689 4.640 0.001 0.000 0.224 299 D C 0.287 176.144 176.300 -0.739 0.000 1.029 299 D CA 0.540 54.188 54.000 -0.586 0.000 0.879 299 D CB -0.090 40.260 40.800 -0.751 0.000 0.906 299 D HN 0.557 nan 8.370 nan 0.000 0.528 300 F N 0.420 120.194 119.950 -0.293 0.000 2.695 300 F HA 0.274 4.802 4.527 0.001 0.000 0.303 300 F C 1.107 176.805 175.800 -0.170 0.000 1.091 300 F CA -0.456 57.408 58.000 -0.226 0.000 1.300 300 F CB 0.153 39.020 39.000 -0.222 0.000 1.071 300 F HN -0.240 nan 8.300 nan 0.000 0.578 301 I N 0.200 120.714 120.570 -0.093 0.000 2.710 301 I HA -0.080 4.090 4.170 0.001 0.000 0.286 301 I C 1.192 177.174 176.117 -0.226 0.000 1.181 301 I CA 0.297 61.517 61.300 -0.133 0.000 1.430 301 I CB 0.216 38.099 38.000 -0.195 0.000 1.367 301 I HN 0.110 nan 8.210 nan 0.000 0.577 302 S N 2.124 117.613 115.700 -0.351 0.000 3.521 302 S HA -0.190 4.281 4.470 0.001 0.000 0.328 302 S C -0.032 174.204 174.600 -0.607 0.000 1.165 302 S CA 0.859 58.426 58.200 -1.055 0.000 0.941 302 S CB -1.208 61.420 63.200 -0.952 0.000 0.951 302 S HN 0.823 nan 8.310 nan 0.000 0.539 303 D N 1.440 121.739 120.400 -0.168 0.000 2.274 303 D HA 0.432 5.072 4.640 0.001 0.000 0.239 303 D C 0.885 177.299 176.300 0.191 0.000 1.104 303 D CA 0.167 54.187 54.000 0.034 0.000 0.840 303 D CB 1.164 42.034 40.800 0.116 0.000 1.100 303 D HN 0.250 nan 8.370 nan 0.000 0.477 304 S N 3.129 118.923 115.700 0.157 0.000 2.660 304 S HA 0.203 4.674 4.470 0.001 0.000 0.227 304 S C 0.820 175.425 174.600 0.008 0.000 0.948 304 S CA -0.534 57.696 58.200 0.050 0.000 0.948 304 S CB 0.213 63.218 63.200 -0.325 0.000 0.779 304 S HN 0.252 nan 8.310 nan 0.000 0.487 305 R N 0.888 121.434 120.500 0.075 0.000 2.615 305 R HA 0.475 4.815 4.340 0.001 0.000 0.270 305 R C 1.324 177.678 176.300 0.089 0.000 1.081 305 R CA 0.182 56.322 56.100 0.067 0.000 1.154 305 R CB 0.389 30.741 30.300 0.087 0.000 1.063 305 R HN 0.159 nan 8.270 nan 0.000 0.519 306 S N -0.608 115.123 115.700 0.051 0.000 2.395 306 S HA 0.001 4.471 4.470 0.001 0.000 0.225 306 S C 0.303 174.939 174.600 0.060 0.000 1.027 306 S CA 0.872 59.100 58.200 0.047 0.000 0.965 306 S CB 0.144 63.335 63.200 -0.014 0.000 0.812 306 S HN 0.538 nan 8.310 nan 0.000 0.482 307 S N -0.147 115.593 115.700 0.067 0.000 2.566 307 S HA 0.609 5.079 4.470 0.001 0.000 0.273 307 S C -1.568 173.109 174.600 0.128 0.000 1.157 307 S CA -0.719 57.531 58.200 0.084 0.000 0.938 307 S CB 0.686 63.902 63.200 0.027 0.000 1.087 307 S HN 0.202 nan 8.310 nan 0.000 0.474 308 I N 4.963 125.633 120.570 0.166 0.000 2.411 308 I HA 0.302 4.473 4.170 0.001 0.000 0.284 308 I C -1.031 175.252 176.117 0.277 0.000 1.012 308 I CA -0.785 60.641 61.300 0.210 0.000 1.119 308 I CB 1.392 39.506 38.000 0.191 0.000 1.261 308 I HN 0.714 nan 8.210 nan 0.000 0.448 309 Y N 6.594 127.006 120.300 0.188 0.000 2.531 309 Y HA 0.163 4.713 4.550 0.001 0.000 0.347 309 Y C 0.126 176.171 175.900 0.241 0.000 1.024 309 Y CA -0.492 57.710 58.100 0.171 0.000 1.306 309 Y CB 0.317 38.854 38.460 0.127 0.000 1.149 309 Y HN 0.461 nan 8.280 nan 0.000 0.527 310 D N 4.157 124.436 120.400 -0.202 0.000 2.352 310 D HA 0.028 4.668 4.640 0.001 0.000 0.245 310 D C 0.787 176.767 176.300 -0.534 0.000 1.224 310 D CA 0.344 54.267 54.000 -0.129 0.000 0.879 310 D CB 1.443 42.382 40.800 0.232 0.000 1.057 310 D HN 0.706 nan 8.370 nan 0.000 0.491 311 S N 3.999 119.412 115.700 -0.479 0.000 2.377 311 S HA -0.064 4.406 4.470 0.001 0.000 0.223 311 S C 1.661 176.173 174.600 -0.148 0.000 1.030 311 S CA 0.774 58.708 58.200 -0.443 0.000 0.970 311 S CB 0.087 63.181 63.200 -0.176 0.000 0.830 311 S HN 0.424 nan 8.310 nan 0.000 0.473 312 K N 1.155 121.521 120.400 -0.056 0.000 2.026 312 K HA -0.014 4.307 4.320 0.001 0.000 0.208 312 K C 2.440 179.038 176.600 -0.003 0.000 1.048 312 K CA 1.187 57.471 56.287 -0.006 0.000 0.929 312 K CB -0.607 31.907 32.500 0.022 0.000 0.713 312 K HN 0.443 nan 8.250 nan 0.000 0.439 313 A N 1.327 124.148 122.820 0.002 0.000 1.892 313 A HA -0.198 4.122 4.320 0.001 0.000 0.218 313 A C 2.348 179.928 177.584 -0.007 0.000 1.188 313 A CA 2.378 54.422 52.037 0.012 0.000 0.631 313 A CB -1.086 17.933 19.000 0.030 0.000 0.822 313 A HN 0.312 nan 8.150 nan 0.000 0.447 314 T N 0.445 114.976 114.554 -0.037 0.000 2.614 314 T HA -0.098 4.253 4.350 0.001 0.000 0.263 314 T C 1.868 176.590 174.700 0.037 0.000 1.055 314 T CA 1.570 63.679 62.100 0.015 0.000 1.162 314 T CB -0.522 68.389 68.868 0.071 0.000 0.863 314 T HN 0.338 nan 8.240 nan 0.000 0.414 315 L N 0.725 121.967 121.223 0.031 0.000 2.079 315 L HA -0.181 4.160 4.340 0.001 0.000 0.210 315 L C 2.871 179.762 176.870 0.034 0.000 1.081 315 L CA 1.375 56.239 54.840 0.039 0.000 0.752 315 L CB -0.522 41.556 42.059 0.032 0.000 0.896 315 L HN 0.254 nan 8.230 nan 0.000 0.433 316 Q N -0.310 119.505 119.800 0.025 0.000 2.226 316 Q HA -0.126 4.214 4.340 0.001 0.000 0.204 316 Q C 1.139 177.155 176.000 0.025 0.000 0.975 316 Q CA 1.175 56.992 55.803 0.024 0.000 0.866 316 Q CB 0.211 28.962 28.738 0.021 0.000 0.915 316 Q HN 0.398 nan 8.270 nan 0.000 0.440 317 N N -0.096 118.620 118.700 0.026 0.000 2.235 317 N HA 0.127 4.867 4.740 0.001 0.000 0.231 317 N C -0.904 174.620 175.510 0.024 0.000 1.177 317 N CA 0.009 53.072 53.050 0.022 0.000 0.874 317 N CB 0.528 39.024 38.487 0.014 0.000 1.097 317 N HN 0.188 nan 8.380 nan 0.000 0.518 318 N N 0.364 119.087 118.700 0.038 0.000 2.485 318 N HA 0.358 5.098 4.740 0.001 0.000 0.280 318 N C -0.100 175.434 175.510 0.040 0.000 1.205 318 N CA -0.513 52.563 53.050 0.043 0.000 0.959 318 N CB 1.837 40.380 38.487 0.094 0.000 1.206 318 N HN -0.072 nan 8.380 nan 0.000 0.545 319 L N 1.852 123.094 121.223 0.032 0.000 2.426 319 L HA 0.221 4.561 4.340 0.001 0.000 0.271 319 L C -1.848 175.042 176.870 0.033 0.000 1.169 319 L CA -1.365 53.491 54.840 0.028 0.000 0.836 319 L CB -0.028 42.045 42.059 0.023 0.000 1.112 319 L HN 0.312 nan 8.230 nan 0.000 0.465 320 P HA 0.117 nan 4.420 nan 0.000 0.275 320 P C -0.383 176.934 177.300 0.028 0.000 1.227 320 P CA -0.248 62.871 63.100 0.033 0.000 0.781 320 P CB 0.569 32.284 31.700 0.025 0.000 0.906 321 N N -2.016 116.709 118.700 0.041 0.000 2.863 321 N HA -0.216 4.525 4.740 0.001 0.000 0.245 321 N C 0.103 175.629 175.510 0.028 0.000 1.001 321 N CA 0.575 53.647 53.050 0.036 0.000 0.901 321 N CB -0.872 37.628 38.487 0.021 0.000 1.124 321 N HN 0.564 nan 8.380 nan 0.000 0.582 322 E N 1.196 121.407 120.200 0.018 0.000 2.383 322 E HA 0.138 4.488 4.350 0.001 0.000 0.264 322 E C 1.084 177.668 176.600 -0.026 0.000 1.050 322 E CA 0.147 56.510 56.400 -0.062 0.000 0.896 322 E CB 0.715 30.321 29.700 -0.156 0.000 0.982 322 E HN 0.044 nan 8.360 nan 0.000 0.424 323 R N 2.959 123.396 120.500 -0.105 0.000 2.191 323 R HA 0.260 4.600 4.340 0.001 0.000 0.196 323 R C 0.863 177.205 176.300 0.070 0.000 0.991 323 R CA 0.550 56.684 56.100 0.058 0.000 1.075 323 R CB 0.202 30.527 30.300 0.041 0.000 1.040 323 R HN 0.475 nan 8.270 nan 0.000 0.526 324 R N -1.577 118.707 120.500 -0.361 0.000 2.646 324 R HA 0.202 4.542 4.340 0.001 0.000 0.226 324 R C -0.211 175.720 176.300 -0.615 0.000 0.928 324 R CA -0.148 55.828 56.100 -0.208 0.000 1.010 324 R CB 0.165 30.441 30.300 -0.040 0.000 1.516 324 R HN -0.060 nan 8.270 nan 0.000 0.621 325 F N 1.920 121.238 119.950 -1.054 0.000 2.371 325 F HA 0.510 5.038 4.527 0.001 0.000 0.363 325 F C -0.953 174.219 175.800 -1.046 0.000 1.122 325 F CA -1.296 56.224 58.000 -0.800 0.000 1.129 325 F CB 0.292 39.025 39.000 -0.443 0.000 1.173 325 F HN -0.245 nan 8.300 nan 0.000 0.489 326 F N 3.837 123.300 119.950 -0.812 0.000 2.613 326 F HA 0.472 4.999 4.527 0.001 0.000 0.310 326 F C -0.799 174.679 175.800 -0.536 0.000 1.085 326 F CA -1.161 56.454 58.000 -0.641 0.000 0.945 326 F CB 2.135 40.718 39.000 -0.694 0.000 1.298 326 F HN 0.313 nan 8.300 nan 0.000 0.455 327 K N 2.719 123.093 120.400 -0.044 0.000 2.378 327 K HA 0.841 5.161 4.320 0.001 0.000 0.252 327 K C -2.005 174.657 176.600 0.103 0.000 0.931 327 K CA -0.561 55.727 56.287 0.000 0.000 0.794 327 K CB 1.857 34.313 32.500 -0.074 0.000 1.181 327 K HN 0.515 nan 8.250 nan 0.000 0.425 328 I N 3.269 123.916 120.570 0.127 0.000 2.689 328 I HA 0.427 4.597 4.170 0.001 0.000 0.299 328 I C -0.866 175.299 176.117 0.080 0.000 1.059 328 I CA -1.139 60.252 61.300 0.151 0.000 1.055 328 I CB 1.863 39.954 38.000 0.152 0.000 1.243 328 I HN 0.495 nan 8.210 nan 0.000 0.425 329 V N 3.281 123.238 119.914 0.071 0.000 2.531 329 V HA 0.569 4.689 4.120 0.001 0.000 0.301 329 V C -0.173 175.879 176.094 -0.069 0.000 1.034 329 V CA -0.416 61.844 62.300 -0.068 0.000 0.865 329 V CB 1.871 33.609 31.823 -0.141 0.000 0.995 329 V HN 0.840 nan 8.190 nan 0.000 0.424 330 S N 3.253 118.872 115.700 -0.134 0.000 2.547 330 S HA 0.721 5.192 4.470 0.001 0.000 0.281 330 S C -1.367 173.146 174.600 -0.144 0.000 1.118 330 S CA -0.536 57.633 58.200 -0.053 0.000 0.947 330 S CB 1.008 64.253 63.200 0.074 0.000 1.053 330 S HN 0.559 nan 8.310 nan 0.000 0.482 331 W N 3.038 124.254 121.300 -0.140 0.000 2.367 331 W HA 0.698 5.358 4.660 0.001 0.000 0.369 331 W C -0.542 175.952 176.519 -0.042 0.000 1.276 331 W CA -0.242 56.910 57.345 -0.321 0.000 1.415 331 W CB 0.634 29.402 29.460 -1.152 0.000 1.306 331 W HN 0.687 nan 8.180 nan 0.000 0.669 332 Y N -1.014 119.300 120.300 0.023 0.000 2.380 332 Y HA 0.169 4.719 4.550 0.001 0.000 0.320 332 Y C -1.328 174.626 175.900 0.090 0.000 1.272 332 Y CA -1.545 56.587 58.100 0.053 0.000 1.165 332 Y CB 0.205 38.701 38.460 0.059 0.000 1.319 332 Y HN 0.320 nan 8.280 nan 0.000 0.443 333 D N 4.430 124.930 120.400 0.166 0.000 2.402 333 D HA 0.061 4.701 4.640 0.001 0.000 0.235 333 D C 0.800 177.235 176.300 0.225 0.000 1.226 333 D CA 0.196 54.278 54.000 0.137 0.000 0.918 333 D CB 0.432 41.361 40.800 0.215 0.000 1.043 333 D HN 0.780 nan 8.370 nan 0.000 0.506 334 N N 3.202 121.958 118.700 0.094 0.000 2.348 334 N HA -0.203 4.537 4.740 0.001 0.000 0.185 334 N C 0.706 176.370 175.510 0.256 0.000 1.019 334 N CA 0.908 54.103 53.050 0.242 0.000 0.880 334 N CB 0.142 38.703 38.487 0.123 0.000 0.965 334 N HN 0.568 nan 8.380 nan 0.000 0.437 335 E N 0.249 120.609 120.200 0.266 0.000 2.038 335 E HA -0.050 4.300 4.350 0.001 0.000 0.190 335 E C 1.718 178.523 176.600 0.342 0.000 0.967 335 E CA 0.167 56.743 56.400 0.294 0.000 0.816 335 E CB -0.355 29.565 29.700 0.367 0.000 0.784 335 E HN 0.346 nan 8.360 nan 0.000 0.456 336 W N 1.754 123.131 121.300 0.129 0.000 2.329 336 W HA -0.162 4.498 4.660 0.001 0.000 0.324 336 W C 2.299 178.888 176.519 0.117 0.000 1.222 336 W CA 2.016 59.399 57.345 0.063 0.000 1.270 336 W CB -0.501 28.953 29.460 -0.010 0.000 1.167 336 W HN 0.160 nan 8.180 nan 0.000 0.467 337 G N -0.910 108.082 108.800 0.319 0.000 2.446 337 G HA2 -0.396 3.564 3.960 0.001 0.000 0.217 337 G HA3 -0.396 3.564 3.960 0.001 0.000 0.217 337 G C 1.283 176.265 174.900 0.137 0.000 1.168 337 G CA 1.243 46.441 45.100 0.162 0.000 0.771 337 G HN 0.439 nan 8.290 nan 0.000 0.551 338 Y N 1.909 122.269 120.300 0.101 0.000 2.274 338 Y HA -0.121 4.430 4.550 0.001 0.000 0.290 338 Y C 3.016 178.925 175.900 0.015 0.000 1.145 338 Y CA 1.755 59.891 58.100 0.059 0.000 1.203 338 Y CB 0.033 38.545 38.460 0.086 0.000 0.984 338 Y HN 0.228 nan 8.280 nan 0.000 0.533 339 S N -0.961 114.818 115.700 0.131 0.000 2.423 339 S HA -0.170 4.300 4.470 0.001 0.000 0.231 339 S C 1.357 175.852 174.600 -0.175 0.000 1.014 339 S CA 1.357 59.538 58.200 -0.033 0.000 0.965 339 S CB -0.399 62.741 63.200 -0.100 0.000 0.785 339 S HN 0.593 nan 8.310 nan 0.000 0.495 340 H N 1.238 120.140 119.070 -0.279 0.000 2.372 340 H HA 0.204 4.761 4.556 0.001 0.000 0.301 340 H C 2.278 177.461 175.328 -0.242 0.000 1.065 340 H CA 0.917 56.803 56.048 -0.270 0.000 1.364 340 H CB 0.071 29.690 29.762 -0.239 0.000 1.406 340 H HN 0.050 nan 8.280 nan 0.000 0.521 341 R N 0.311 120.727 120.500 -0.139 0.000 2.105 341 R HA -0.096 4.244 4.340 0.001 0.000 0.239 341 R C 2.230 178.351 176.300 -0.298 0.000 1.135 341 R CA 0.851 56.810 56.100 -0.234 0.000 0.967 341 R CB -1.016 29.102 30.300 -0.303 0.000 0.861 341 R HN 0.246 nan 8.270 nan 0.000 0.442 342 V N 0.574 120.270 119.914 -0.363 0.000 2.343 342 V HA -0.194 3.926 4.120 0.001 0.000 0.247 342 V C 2.578 178.531 176.094 -0.234 0.000 1.051 342 V CA 1.515 63.633 62.300 -0.304 0.000 1.036 342 V CB -0.485 31.189 31.823 -0.248 0.000 0.654 342 V HN 0.032 nan 8.190 nan 0.000 0.451 343 V N 0.180 119.950 119.914 -0.239 0.000 2.295 343 V HA -0.259 3.861 4.120 0.001 0.000 0.246 343 V C 2.325 178.294 176.094 -0.207 0.000 1.049 343 V CA 2.255 64.415 62.300 -0.234 0.000 1.024 343 V CB -0.696 30.959 31.823 -0.280 0.000 0.648 343 V HN 0.570 nan 8.190 nan 0.000 0.447 344 D N -0.208 120.080 120.400 -0.187 0.000 2.172 344 D HA -0.194 4.446 4.640 0.001 0.000 0.196 344 D C 1.901 178.109 176.300 -0.153 0.000 0.999 344 D CA 1.306 55.215 54.000 -0.151 0.000 0.856 344 D CB -0.301 40.414 40.800 -0.141 0.000 0.934 344 D HN 0.331 nan 8.370 nan 0.000 0.453 345 L N 0.406 121.513 121.223 -0.193 0.000 2.056 345 L HA -0.085 4.255 4.340 0.001 0.000 0.207 345 L C 2.274 179.002 176.870 -0.237 0.000 1.078 345 L CA 1.154 55.868 54.840 -0.210 0.000 0.749 345 L CB -0.571 41.356 42.059 -0.219 0.000 0.901 345 L HN -0.124 nan 8.230 nan 0.000 0.433 346 V N 0.117 119.877 119.914 -0.256 0.000 2.255 346 V HA -0.325 3.795 4.120 0.001 0.000 0.247 346 V C 2.739 178.592 176.094 -0.401 0.000 1.051 346 V CA 2.150 64.240 62.300 -0.350 0.000 1.018 346 V CB -0.547 31.087 31.823 -0.315 0.000 0.641 346 V HN 0.468 nan 8.190 nan 0.000 0.445 347 R N -0.760 119.573 120.500 -0.278 0.000 2.080 347 R HA -0.246 4.095 4.340 0.001 0.000 0.236 347 R C 2.295 178.489 176.300 -0.176 0.000 1.137 347 R CA 2.228 58.194 56.100 -0.225 0.000 0.943 347 R CB -0.796 29.415 30.300 -0.150 0.000 0.846 347 R HN 0.711 nan 8.270 nan 0.000 0.431 348 H N 0.847 119.792 119.070 -0.209 0.000 2.252 348 H HA -0.156 4.400 4.556 0.001 0.000 0.292 348 H C 2.140 177.346 175.328 -0.204 0.000 1.082 348 H CA 2.512 58.459 56.048 -0.169 0.000 1.229 348 H CB -0.204 29.473 29.762 -0.142 0.000 1.353 348 H HN 0.057 nan 8.280 nan 0.000 0.488 349 M N -0.040 119.367 119.600 -0.323 0.000 2.144 349 M HA -0.238 4.243 4.480 0.001 0.000 0.260 349 M C 2.615 178.829 176.300 -0.144 0.000 1.067 349 M CA 1.546 56.574 55.300 -0.454 0.000 1.095 349 M CB -0.328 31.908 32.600 -0.606 0.000 1.365 349 M HN 0.539 nan 8.290 nan 0.000 0.406 350 A N 0.591 123.243 122.820 -0.280 0.000 1.824 350 A HA -0.057 4.263 4.320 0.001 0.000 0.215 350 A C 2.409 179.963 177.584 -0.051 0.000 1.209 350 A CA 1.980 53.903 52.037 -0.189 0.000 0.614 350 A CB -1.367 17.394 19.000 -0.397 0.000 0.852 350 A HN 0.477 nan 8.150 nan 0.000 0.447 351 A N -0.878 121.872 122.820 -0.116 0.000 2.023 351 A HA -0.300 4.020 4.320 0.001 0.000 0.223 351 A C 2.177 179.713 177.584 -0.081 0.000 1.180 351 A CA 2.681 54.662 52.037 -0.093 0.000 0.659 351 A CB -0.481 18.448 19.000 -0.118 0.000 0.817 351 A HN 0.478 nan 8.150 nan 0.000 0.466 352 R N -0.006 120.435 120.500 -0.098 0.000 2.161 352 R HA 0.009 4.350 4.340 0.001 0.000 0.213 352 R C 0.112 176.425 176.300 0.022 0.000 1.055 352 R CA 1.026 57.087 56.100 -0.064 0.000 0.996 352 R CB -0.120 30.152 30.300 -0.047 0.000 0.901 352 R HN 0.419 nan 8.270 nan 0.000 0.456 353 D N 0.840 121.299 120.400 0.098 0.000 2.494 353 D HA 0.008 4.648 4.640 0.001 0.000 0.249 353 D C -0.058 176.272 176.300 0.049 0.000 1.223 353 D CA 0.070 54.128 54.000 0.098 0.000 0.865 353 D CB -0.060 40.848 40.800 0.180 0.000 0.974 353 D HN -0.059 nan 8.370 nan 0.000 0.491 354 R N 0.195 120.703 120.500 0.014 0.000 3.424 354 R HA -0.234 4.106 4.340 0.001 0.000 0.247 354 R C 0.390 176.700 176.300 0.016 0.000 1.000 354 R CA 0.710 56.811 56.100 0.001 0.000 0.672 354 R CB -2.056 28.241 30.300 -0.005 0.000 1.042 354 R HN 0.235 nan 8.270 nan 0.000 0.470 355 A N 0.455 123.297 122.820 0.038 0.000 2.958 355 A HA 0.524 4.844 4.320 0.001 0.000 0.247 355 A C 0.559 178.150 177.584 0.012 0.000 1.679 355 A CA 0.383 52.451 52.037 0.051 0.000 1.345 355 A CB -0.791 18.287 19.000 0.129 0.000 1.013 355 A HN 1.101 nan 8.150 nan 0.000 0.641 356 A N -0.176 122.644 122.820 -0.000 0.000 2.399 356 A HA -0.124 4.196 4.320 0.001 0.000 0.673 356 A C 0.009 177.576 177.584 -0.029 0.000 0.159 356 A CA 0.982 53.012 52.037 -0.013 0.000 0.103 356 A CB -1.072 17.923 19.000 -0.009 0.000 3.899 356 A HN 0.992 nan 8.150 nan 0.000 0.537 357 K N 1.034 121.415 120.400 -0.030 0.000 2.098 357 K HA 0.760 5.080 4.320 0.001 0.000 0.261 357 K C 0.081 176.661 176.600 -0.032 0.000 0.987 357 K CA -0.625 55.638 56.287 -0.039 0.000 0.916 357 K CB 0.658 33.137 32.500 -0.036 0.000 1.039 357 K HN 0.768 nan 8.250 nan 0.000 0.455 358 L N 0.000 121.203 121.223 -0.034 0.000 2.949 358 L HA 0.000 4.340 4.340 0.001 0.000 0.249 358 L CA 0.000 54.825 54.840 -0.026 0.000 0.813 358 L CB 0.000 42.041 42.059 -0.031 0.000 0.961 358 L HN 0.000 nan 8.230 nan 0.000 0.502