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 2bg9_1_A DATA FIRST_RESID 1 DATA SEQUENCE SEHETRLVAN LLENYNKVIR PVEHHTHFVD ITVGLQLIQL INVDEVNQIV DATA SEQUENCE ETNVRLRQQW IDVRLRWNPA DYGGIKKIRL PSDDVWLPDL VLYNNADGDF DATA SEQUENCE AIVHMTKLLL DYTGKIMWTP PAIFKSYcEI IVTHFPFDQQ NcTMKLGIWT DATA SEQUENCE YDGTKVSISP ESDRPDLSTF MESGEWVMKD YRGWKHWVYY TCCPDTPYLD DATA SEQUENCE ITYHFIMQRI PLYFVVNVII PCLLFSFLTV LVFYLPTDSG EKMTLSISVL DATA SEQUENCE LSLTVFLLVI VELIPSTSSA VPLIGKYMLF TMIFVISSII VTVVVINTHH DATA SEQUENCE RSPSTHXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXSAIEGVK YIAEHMKSDE ESSNAAEEWK DATA SEQUENCE YVAMVIDHIL LCVFMLICII GTVSVFAGRL IELSQEG 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.625 174.600 0.042 0.000 1.055 1 S CA 0.000 58.208 58.200 0.013 0.000 1.107 1 S CB 0.000 63.206 63.200 0.010 0.000 0.593 2 E N 3.547 123.773 120.200 0.043 0.000 2.637 2 E HA -0.084 4.265 4.350 -0.000 0.000 0.231 2 E C -0.532 176.149 176.600 0.136 0.000 1.226 2 E CA 0.670 57.114 56.400 0.074 0.000 0.950 2 E CB -1.116 28.578 29.700 -0.009 0.000 1.049 2 E HN 0.604 nan 8.360 nan 0.000 0.494 3 H N 0.416 119.458 119.070 -0.045 0.000 2.806 3 H HA -0.277 4.279 4.556 -0.000 0.000 0.303 3 H C 1.198 176.494 175.328 -0.054 0.000 1.089 3 H CA 1.253 57.273 56.048 -0.047 0.000 1.165 3 H CB -1.492 28.238 29.762 -0.053 0.000 1.350 3 H HN 0.854 nan 8.280 nan 0.000 0.373 4 E N -0.108 120.117 120.200 0.042 0.000 2.242 4 E HA -0.311 4.039 4.350 -0.000 0.000 0.247 4 E C 1.949 178.540 176.600 -0.015 0.000 1.056 4 E CA 3.220 59.620 56.400 -0.001 0.000 0.999 4 E CB -0.677 29.019 29.700 -0.006 0.000 0.891 4 E HN 0.584 nan 8.360 nan 0.000 0.512 5 T N -0.492 114.050 114.554 -0.020 0.000 2.857 5 T HA -0.033 4.317 4.350 -0.000 0.000 0.266 5 T C 1.909 176.595 174.700 -0.024 0.000 1.048 5 T CA 1.164 63.250 62.100 -0.023 0.000 1.139 5 T CB -0.298 68.555 68.868 -0.025 0.000 0.874 5 T HN 0.171 nan 8.240 nan 0.000 0.455 6 R N 0.371 120.854 120.500 -0.029 0.000 2.115 6 R HA 0.016 4.356 4.340 -0.000 0.000 0.230 6 R C 2.144 178.439 176.300 -0.008 0.000 1.111 6 R CA 0.806 56.894 56.100 -0.021 0.000 0.976 6 R CB -0.411 29.862 30.300 -0.045 0.000 0.870 6 R HN 0.372 nan 8.270 nan 0.000 0.445 7 L N -0.025 121.190 121.223 -0.012 0.000 1.932 7 L HA -0.236 4.104 4.340 -0.000 0.000 0.217 7 L C 2.539 179.355 176.870 -0.090 0.000 1.077 7 L CA 1.745 56.543 54.840 -0.070 0.000 0.765 7 L CB -1.307 40.697 42.059 -0.091 0.000 0.888 7 L HN 0.119 nan 8.230 nan 0.000 0.433 8 V N -1.497 118.375 119.914 -0.071 0.000 2.282 8 V HA -0.311 3.809 4.120 -0.000 0.000 0.249 8 V C 2.585 178.670 176.094 -0.015 0.000 1.057 8 V CA 1.921 64.192 62.300 -0.050 0.000 1.032 8 V CB -1.544 30.260 31.823 -0.030 0.000 0.645 8 V HN 0.420 nan 8.190 nan 0.000 0.447 9 A N 1.131 123.948 122.820 -0.006 0.000 1.873 9 A HA -0.242 4.078 4.320 -0.000 0.000 0.215 9 A C 2.154 179.754 177.584 0.027 0.000 1.186 9 A CA 2.272 54.317 52.037 0.013 0.000 0.616 9 A CB -1.198 17.806 19.000 0.007 0.000 0.823 9 A HN 0.704 nan 8.150 nan 0.000 0.442 10 N N 0.461 119.171 118.700 0.017 0.000 2.037 10 N HA -0.201 4.539 4.740 -0.000 0.000 0.196 10 N C 1.566 177.115 175.510 0.065 0.000 1.034 10 N CA 2.325 55.396 53.050 0.035 0.000 0.861 10 N CB -0.528 37.972 38.487 0.022 0.000 1.039 10 N HN 0.486 nan 8.380 nan 0.000 0.427 11 L N -0.316 120.935 121.223 0.046 0.000 2.013 11 L HA -0.210 4.130 4.340 -0.000 0.000 0.212 11 L C 2.478 179.447 176.870 0.166 0.000 1.073 11 L CA 1.450 56.349 54.840 0.099 0.000 0.753 11 L CB -1.032 41.045 42.059 0.029 0.000 0.890 11 L HN 0.347 nan 8.230 nan 0.000 0.432 12 L N -0.055 121.249 121.223 0.135 0.000 1.989 12 L HA -0.203 4.137 4.340 -0.000 0.000 0.211 12 L C 2.358 179.321 176.870 0.156 0.000 1.071 12 L CA 1.702 56.640 54.840 0.164 0.000 0.749 12 L CB -0.593 41.526 42.059 0.099 0.000 0.890 12 L HN 0.228 nan 8.230 nan 0.000 0.431 13 E N 0.166 120.430 120.200 0.107 0.000 2.012 13 E HA -0.214 4.136 4.350 -0.000 0.000 0.211 13 E C 0.441 177.103 176.600 0.103 0.000 1.029 13 E CA 1.423 57.873 56.400 0.083 0.000 0.867 13 E CB -0.529 29.208 29.700 0.061 0.000 0.790 13 E HN 0.462 nan 8.360 nan 0.000 0.482 14 N N 0.599 119.372 118.700 0.122 0.000 2.807 14 N HA 0.079 4.819 4.740 -0.000 0.000 0.259 14 N C -1.459 174.189 175.510 0.231 0.000 1.149 14 N CA 0.282 53.412 53.050 0.133 0.000 1.042 14 N CB 0.283 38.833 38.487 0.105 0.000 1.367 14 N HN 0.201 nan 8.380 nan 0.000 0.516 15 Y N 1.694 122.024 120.300 0.051 0.000 2.246 15 Y HA 0.227 4.776 4.550 -0.000 0.000 0.315 15 Y C -1.855 174.065 175.900 0.034 0.000 1.251 15 Y CA -1.162 56.969 58.100 0.051 0.000 1.212 15 Y CB 0.208 38.715 38.460 0.079 0.000 1.277 15 Y HN 0.107 nan 8.280 nan 0.000 0.398 16 N N 7.021 125.520 118.700 -0.335 0.000 2.457 16 N HA 0.288 5.028 4.740 -0.000 0.000 0.250 16 N C 0.625 175.749 175.510 -0.643 0.000 0.982 16 N CA -0.404 52.379 53.050 -0.444 0.000 0.941 16 N CB 1.844 40.226 38.487 -0.174 0.000 1.120 16 N HN 0.752 nan 8.380 nan 0.000 0.505 17 K N 0.691 120.611 120.400 -0.799 0.000 2.015 17 K HA -0.137 4.183 4.320 -0.000 0.000 0.216 17 K C 1.344 177.864 176.600 -0.133 0.000 1.052 17 K CA 1.355 57.373 56.287 -0.448 0.000 0.937 17 K CB -0.225 32.133 32.500 -0.236 0.000 0.719 17 K HN 0.199 nan 8.250 nan 0.000 0.446 18 V N 2.037 121.879 119.914 -0.120 0.000 2.828 18 V HA -0.142 3.978 4.120 -0.000 0.000 0.260 18 V C 1.410 177.440 176.094 -0.106 0.000 1.101 18 V CA 0.917 63.185 62.300 -0.054 0.000 1.123 18 V CB -0.854 30.939 31.823 -0.051 0.000 0.704 18 V HN 0.238 nan 8.190 nan 0.000 0.493 19 I N 1.925 122.418 120.570 -0.127 0.000 2.648 19 I HA 0.086 4.256 4.170 -0.000 0.000 0.284 19 I C 0.966 176.927 176.117 -0.260 0.000 1.153 19 I CA 0.181 61.381 61.300 -0.167 0.000 1.426 19 I CB 0.412 38.356 38.000 -0.094 0.000 1.381 19 I HN 0.359 nan 8.210 nan 0.000 0.571 20 R N 7.787 127.994 120.500 -0.488 0.000 2.229 20 R HA 0.370 4.710 4.340 -0.000 0.000 0.328 20 R C -2.428 173.593 176.300 -0.465 0.000 1.009 20 R CA -1.801 53.818 56.100 -0.802 0.000 0.864 20 R CB 0.298 29.625 30.300 -1.620 0.000 1.085 20 R HN 0.292 nan 8.270 nan 0.000 0.453 21 P HA -0.068 nan 4.420 nan 0.000 0.234 21 P C -0.026 177.188 177.300 -0.142 0.000 1.457 21 P CA 0.123 63.142 63.100 -0.135 0.000 0.891 21 P CB -0.445 31.236 31.700 -0.031 0.000 1.734 22 V N 0.909 120.710 119.914 -0.187 0.000 2.585 22 V HA 0.003 4.123 4.120 -0.000 0.000 0.296 22 V C 1.106 177.161 176.094 -0.066 0.000 1.035 22 V CA 0.497 62.715 62.300 -0.136 0.000 1.084 22 V CB 0.333 32.083 31.823 -0.121 0.000 0.953 22 V HN 0.241 nan 8.190 nan 0.000 0.483 23 E N 4.507 124.665 120.200 -0.070 0.000 2.437 23 E HA 0.383 4.733 4.350 -0.000 0.000 0.238 23 E C -0.291 176.096 176.600 -0.356 0.000 0.969 23 E CA -0.391 55.855 56.400 -0.257 0.000 0.759 23 E CB 0.820 30.321 29.700 -0.332 0.000 1.283 23 E HN 1.047 nan 8.360 nan 0.000 0.416 24 H N -0.759 118.343 119.070 0.053 0.000 3.770 24 H HA -0.248 4.308 4.556 -0.000 0.000 0.267 24 H C 0.039 175.432 175.328 0.109 0.000 0.747 24 H CA 0.079 56.162 56.048 0.057 0.000 0.948 24 H CB -0.560 29.211 29.762 0.015 0.000 1.026 24 H HN 0.604 nan 8.280 nan 0.000 0.629 25 H N 1.486 120.649 119.070 0.155 0.000 2.914 25 H HA 0.421 4.977 4.556 -0.000 0.000 0.264 25 H C -0.567 174.802 175.328 0.068 0.000 1.433 25 H CA 1.096 57.204 56.048 0.100 0.000 1.342 25 H CB 0.121 29.937 29.762 0.089 0.000 1.582 25 H HN 0.597 nan 8.280 nan 0.000 0.525 26 T N 1.699 116.200 114.554 -0.088 0.000 2.600 26 T HA -0.049 4.301 4.350 -0.000 0.000 0.201 26 T C 1.274 175.570 174.700 -0.673 0.000 0.897 26 T CA -0.030 61.859 62.100 -0.352 0.000 1.337 26 T CB -0.407 68.314 68.868 -0.245 0.000 1.978 26 T HN 0.697 nan 8.240 nan 0.000 0.425 27 H N 3.561 122.156 119.070 -0.792 0.000 2.532 27 H HA -0.152 4.404 4.556 -0.000 0.000 0.294 27 H C 0.139 174.984 175.328 -0.805 0.000 1.098 27 H CA 1.790 57.286 56.048 -0.921 0.000 1.161 27 H CB -1.553 27.990 29.762 -0.366 0.000 1.334 27 H HN 0.634 nan 8.280 nan 0.000 0.572 28 F N -3.168 116.694 119.950 -0.147 0.000 2.183 28 F HA -0.251 4.276 4.527 -0.000 0.000 0.318 28 F C 0.084 175.591 175.800 -0.488 0.000 0.210 28 F CA 0.065 57.964 58.000 -0.168 0.000 0.912 28 F CB -1.017 37.985 39.000 0.005 0.000 4.135 28 F HN -0.045 nan 8.300 nan 0.000 0.137 29 V N 0.842 120.735 119.914 -0.036 0.000 2.408 29 V HA 0.160 4.280 4.120 -0.000 0.000 0.267 29 V C 0.170 176.312 176.094 0.081 0.000 1.047 29 V CA -0.257 62.006 62.300 -0.062 0.000 0.937 29 V CB 1.072 32.985 31.823 0.150 0.000 0.999 29 V HN 0.644 nan 8.190 nan 0.000 0.472 30 D N 5.596 126.016 120.400 0.032 0.000 2.338 30 D HA 0.334 4.974 4.640 -0.000 0.000 0.255 30 D C -0.792 175.680 176.300 0.287 0.000 1.237 30 D CA -0.090 54.026 54.000 0.193 0.000 0.883 30 D CB 0.831 41.768 40.800 0.229 0.000 1.087 30 D HN 0.464 nan 8.370 nan 0.000 0.485 31 I N 2.805 123.560 120.570 0.308 0.000 2.499 31 I HA 0.142 4.312 4.170 -0.000 0.000 0.288 31 I C -0.021 176.277 176.117 0.302 0.000 1.048 31 I CA -0.392 61.143 61.300 0.392 0.000 1.062 31 I CB 2.412 40.668 38.000 0.426 0.000 1.238 31 I HN 0.168 nan 8.210 nan 0.000 0.426 32 T N 5.132 119.840 114.554 0.257 0.000 2.888 32 T HA 0.657 5.007 4.350 -0.000 0.000 0.284 32 T C -0.232 174.566 174.700 0.163 0.000 1.017 32 T CA -0.560 61.651 62.100 0.184 0.000 1.022 32 T CB 1.866 70.811 68.868 0.129 0.000 1.013 32 T HN 0.180 nan 8.240 nan 0.000 0.465 33 V N 0.839 120.843 119.914 0.150 0.000 2.713 33 V HA 0.922 5.042 4.120 -0.000 0.000 0.307 33 V C 0.562 176.713 176.094 0.096 0.000 1.052 33 V CA -0.825 61.555 62.300 0.133 0.000 0.967 33 V CB 1.745 33.667 31.823 0.165 0.000 1.019 33 V HN 1.111 nan 8.190 nan 0.000 0.459 34 G N 2.822 111.663 108.800 0.068 0.000 2.182 34 G HA2 0.460 4.420 3.960 -0.000 0.000 0.293 34 G HA3 0.460 4.420 3.960 -0.000 0.000 0.293 34 G C -1.410 173.506 174.900 0.025 0.000 1.409 34 G CA -0.436 44.690 45.100 0.044 0.000 1.153 34 G HN 0.739 nan 8.290 nan 0.000 0.586 35 L N 2.011 123.270 121.223 0.061 0.000 2.276 35 L HA 0.675 5.015 4.340 -0.000 0.000 0.286 35 L C -0.510 176.366 176.870 0.010 0.000 1.061 35 L CA -0.740 54.128 54.840 0.047 0.000 0.807 35 L CB 1.631 43.800 42.059 0.184 0.000 1.177 35 L HN 0.404 nan 8.230 nan 0.000 0.429 36 Q N 6.735 126.519 119.800 -0.026 0.000 2.454 36 Q HA 0.297 4.636 4.340 -0.000 0.000 0.255 36 Q C -1.323 174.655 176.000 -0.036 0.000 1.034 36 Q CA -0.589 55.198 55.803 -0.027 0.000 0.736 36 Q CB 1.274 29.992 28.738 -0.033 0.000 1.210 36 Q HN 0.735 nan 8.270 nan 0.000 0.500 37 L N 5.615 126.828 121.223 -0.017 0.000 2.565 37 L HA 0.004 4.344 4.340 -0.000 0.000 0.275 37 L C 1.258 178.118 176.870 -0.018 0.000 1.137 37 L CA -0.261 54.574 54.840 -0.010 0.000 0.915 37 L CB 0.035 42.115 42.059 0.035 0.000 1.232 37 L HN 0.579 nan 8.230 nan 0.000 0.473 38 I N 1.964 122.517 120.570 -0.029 0.000 2.315 38 I HA -0.127 4.043 4.170 -0.000 0.000 0.248 38 I C 0.878 176.986 176.117 -0.015 0.000 1.117 38 I CA 1.222 62.507 61.300 -0.025 0.000 1.404 38 I CB -0.223 37.758 38.000 -0.032 0.000 1.071 38 I HN 0.701 nan 8.210 nan 0.000 0.419 39 Q N -1.157 118.639 119.800 -0.006 0.000 2.900 39 Q HA 0.501 4.841 4.340 -0.000 0.000 0.297 39 Q C -1.599 174.414 176.000 0.022 0.000 0.889 39 Q CA -0.691 55.110 55.803 -0.003 0.000 0.777 39 Q CB 1.842 30.569 28.738 -0.019 0.000 1.518 39 Q HN -0.025 nan 8.270 nan 0.000 0.430 40 L N 1.909 123.141 121.223 0.015 0.000 2.329 40 L HA 0.553 4.893 4.340 -0.000 0.000 0.279 40 L C 0.921 177.809 176.870 0.030 0.000 1.014 40 L CA -0.503 54.371 54.840 0.058 0.000 0.814 40 L CB 1.135 43.252 42.059 0.097 0.000 1.257 40 L HN 0.803 nan 8.230 nan 0.000 0.424 41 I N -1.031 119.578 120.570 0.065 0.000 2.556 41 I HA 0.311 4.481 4.170 -0.000 0.000 0.251 41 I C 0.230 176.390 176.117 0.071 0.000 1.105 41 I CA 0.588 61.918 61.300 0.051 0.000 1.436 41 I CB 0.325 38.358 38.000 0.056 0.000 1.139 41 I HN 0.567 nan 8.210 nan 0.000 0.438 42 N N -0.042 118.724 118.700 0.110 0.000 2.815 42 N HA 0.507 5.247 4.740 -0.000 0.000 0.253 42 N C -1.634 173.958 175.510 0.138 0.000 1.202 42 N CA -0.316 52.815 53.050 0.134 0.000 0.925 42 N CB 3.280 41.817 38.487 0.083 0.000 1.622 42 N HN -0.028 nan 8.380 nan 0.000 0.497 43 V N 0.313 120.313 119.914 0.145 0.000 3.049 43 V HA 0.487 4.607 4.120 -0.000 0.000 0.309 43 V C -1.181 174.844 176.094 -0.115 0.000 1.148 43 V CA -0.639 61.645 62.300 -0.026 0.000 0.990 43 V CB 2.658 34.363 31.823 -0.198 0.000 1.039 43 V HN 0.628 nan 8.190 nan 0.000 0.430 44 D N 1.092 121.380 120.400 -0.186 0.000 2.346 44 D HA 0.239 4.879 4.640 -0.000 0.000 0.255 44 D C 0.743 176.886 176.300 -0.262 0.000 1.276 44 D CA -0.264 53.632 54.000 -0.174 0.000 0.941 44 D CB 1.529 42.266 40.800 -0.105 0.000 1.199 44 D HN 0.730 nan 8.370 nan 0.000 0.537 45 E N 1.923 121.911 120.200 -0.354 0.000 2.130 45 E HA -0.160 4.190 4.350 -0.000 0.000 0.196 45 E C 1.428 177.857 176.600 -0.286 0.000 0.998 45 E CA 0.942 57.075 56.400 -0.444 0.000 0.806 45 E CB 0.471 29.901 29.700 -0.450 0.000 0.738 45 E HN 0.294 nan 8.360 nan 0.000 0.459 46 V N 1.771 121.564 119.914 -0.201 0.000 2.255 46 V HA -0.248 3.872 4.120 -0.000 0.000 0.247 46 V C 1.720 177.727 176.094 -0.146 0.000 1.051 46 V CA 2.006 64.211 62.300 -0.159 0.000 1.018 46 V CB -0.336 31.409 31.823 -0.130 0.000 0.641 46 V HN 0.340 nan 8.190 nan 0.000 0.445 47 N N 0.158 118.777 118.700 -0.135 0.000 2.280 47 N HA 0.026 4.766 4.740 -0.000 0.000 0.192 47 N C 0.705 176.145 175.510 -0.118 0.000 1.109 47 N CA 0.464 53.454 53.050 -0.100 0.000 0.855 47 N CB 0.142 38.589 38.487 -0.067 0.000 0.974 47 N HN 0.815 nan 8.380 nan 0.000 0.482 48 Q N -0.140 119.540 119.800 -0.199 0.000 2.416 48 Q HA -0.206 4.133 4.340 -0.000 0.000 0.319 48 Q C -1.003 174.887 176.000 -0.184 0.000 1.318 48 Q CA 0.810 56.455 55.803 -0.263 0.000 0.915 48 Q CB -2.285 26.254 28.738 -0.332 0.000 1.184 48 Q HN 0.398 nan 8.270 nan 0.000 0.444 49 I N 0.768 121.258 120.570 -0.133 0.000 2.433 49 I HA 0.611 4.781 4.170 -0.000 0.000 0.292 49 I C -0.121 175.948 176.117 -0.081 0.000 1.001 49 I CA -1.373 59.885 61.300 -0.070 0.000 1.119 49 I CB 2.012 39.989 38.000 -0.039 0.000 1.289 49 I HN 0.095 nan 8.210 nan 0.000 0.438 50 V N 5.121 125.005 119.914 -0.050 0.000 2.789 50 V HA 0.354 4.474 4.120 -0.000 0.000 0.311 50 V C -0.529 175.610 176.094 0.074 0.000 1.073 50 V CA -0.698 61.612 62.300 0.017 0.000 0.921 50 V CB 2.346 34.202 31.823 0.055 0.000 1.009 50 V HN 0.688 nan 8.190 nan 0.000 0.426 51 E N 2.342 122.611 120.200 0.115 0.000 2.114 51 E HA 0.577 4.927 4.350 -0.000 0.000 0.266 51 E C -0.664 176.052 176.600 0.195 0.000 0.896 51 E CA -0.236 56.257 56.400 0.155 0.000 0.750 51 E CB 1.428 31.190 29.700 0.102 0.000 1.121 51 E HN 0.920 nan 8.360 nan 0.000 0.413 52 T N 1.113 115.839 114.554 0.287 0.000 2.916 52 T HA 0.400 4.750 4.350 -0.000 0.000 0.292 52 T C -0.140 174.619 174.700 0.099 0.000 1.055 52 T CA -1.044 61.182 62.100 0.210 0.000 1.009 52 T CB 1.437 70.470 68.868 0.275 0.000 1.118 52 T HN 0.158 nan 8.240 nan 0.000 0.497 53 N N 1.246 119.967 118.700 0.036 0.000 2.419 53 N HA 0.482 5.222 4.740 -0.000 0.000 0.264 53 N C -0.717 174.734 175.510 -0.098 0.000 1.031 53 N CA -0.272 52.756 53.050 -0.036 0.000 0.951 53 N CB 1.368 39.842 38.487 -0.021 0.000 1.101 53 N HN 0.782 nan 8.380 nan 0.000 0.488 54 V N 1.403 121.197 119.914 -0.200 0.000 2.686 54 V HA 0.604 4.724 4.120 -0.000 0.000 0.306 54 V C -0.462 175.469 176.094 -0.271 0.000 1.065 54 V CA -1.023 61.125 62.300 -0.253 0.000 0.894 54 V CB 1.885 33.453 31.823 -0.425 0.000 1.004 54 V HN 0.440 nan 8.190 nan 0.000 0.424 55 R N 4.611 124.991 120.500 -0.200 0.000 2.246 55 R HA 0.544 4.884 4.340 -0.000 0.000 0.332 55 R C -0.862 175.304 176.300 -0.223 0.000 0.974 55 R CA -0.624 55.358 56.100 -0.197 0.000 0.837 55 R CB 1.860 32.088 30.300 -0.121 0.000 1.145 55 R HN 0.831 nan 8.270 nan 0.000 0.467 56 L N 5.301 126.326 121.223 -0.330 0.000 2.260 56 L HA 0.311 4.651 4.340 -0.000 0.000 0.289 56 L C 0.307 177.039 176.870 -0.230 0.000 1.057 56 L CA -0.531 54.131 54.840 -0.297 0.000 0.811 56 L CB 0.410 42.213 42.059 -0.426 0.000 1.184 56 L HN 0.548 nan 8.230 nan 0.000 0.429 57 R N 5.266 125.687 120.500 -0.132 0.000 2.205 57 R HA 0.310 4.650 4.340 -0.000 0.000 0.342 57 R C -1.087 175.164 176.300 -0.082 0.000 1.058 57 R CA -0.533 55.507 56.100 -0.100 0.000 0.904 57 R CB 0.713 30.975 30.300 -0.063 0.000 1.089 57 R HN 0.634 nan 8.270 nan 0.000 0.471 58 Q N 2.860 122.585 119.800 -0.125 0.000 2.322 58 Q HA 0.271 4.611 4.340 -0.000 0.000 0.265 58 Q C -0.875 174.866 176.000 -0.432 0.000 0.985 58 Q CA -0.915 54.820 55.803 -0.114 0.000 0.849 58 Q CB 2.389 31.168 28.738 0.069 0.000 1.274 58 Q HN 0.517 nan 8.270 nan 0.000 0.449 59 Q N 1.998 121.639 119.800 -0.265 0.000 2.394 59 Q HA 0.622 4.962 4.340 -0.000 0.000 0.273 59 Q C -1.189 174.784 176.000 -0.046 0.000 1.089 59 Q CA -0.444 55.144 55.803 -0.358 0.000 0.812 59 Q CB 2.376 31.040 28.738 -0.123 0.000 1.353 59 Q HN 0.689 nan 8.270 nan 0.000 0.438 60 W N 0.788 122.158 121.300 0.117 0.000 3.064 60 W HA 0.649 5.309 4.660 -0.000 0.000 0.328 60 W C -1.768 174.811 176.519 0.100 0.000 1.210 60 W CA -1.063 56.357 57.345 0.126 0.000 1.178 60 W CB -0.220 29.340 29.460 0.167 0.000 1.416 60 W HN 0.492 nan 8.180 nan 0.000 0.568 61 I N 0.199 121.016 120.570 0.412 0.000 2.569 61 I HA 0.600 4.770 4.170 -0.000 0.000 0.296 61 I C -0.996 175.262 176.117 0.235 0.000 1.028 61 I CA -0.786 60.671 61.300 0.261 0.000 1.082 61 I CB 2.306 40.393 38.000 0.145 0.000 1.264 61 I HN 0.426 nan 8.210 nan 0.000 0.429 62 D N 4.943 125.437 120.400 0.157 0.000 2.404 62 D HA 0.116 4.756 4.640 -0.000 0.000 0.267 62 D C 0.957 177.245 176.300 -0.020 0.000 1.194 62 D CA -0.335 53.711 54.000 0.076 0.000 0.910 62 D CB 2.064 42.917 40.800 0.089 0.000 1.090 62 D HN 0.608 nan 8.370 nan 0.000 0.511 63 V N 2.538 122.442 119.914 -0.017 0.000 3.244 63 V HA -0.146 3.974 4.120 -0.000 0.000 0.273 63 V C 1.505 177.531 176.094 -0.113 0.000 1.180 63 V CA 1.316 63.584 62.300 -0.054 0.000 1.182 63 V CB -0.624 31.188 31.823 -0.020 0.000 0.796 63 V HN 0.312 nan 8.190 nan 0.000 0.543 64 R N -0.612 119.809 120.500 -0.131 0.000 2.280 64 R HA 0.391 4.731 4.340 -0.000 0.000 0.195 64 R C 1.676 177.727 176.300 -0.415 0.000 0.935 64 R CA 0.529 56.520 56.100 -0.181 0.000 1.033 64 R CB 0.003 30.248 30.300 -0.092 0.000 0.964 64 R HN 0.531 nan 8.270 nan 0.000 0.489 65 L N 1.693 122.647 121.223 -0.447 0.000 2.607 65 L HA 0.150 4.490 4.340 -0.000 0.000 0.228 65 L C 0.572 176.811 176.870 -1.051 0.000 1.123 65 L CA -0.376 54.027 54.840 -0.729 0.000 0.890 65 L CB -0.207 41.638 42.059 -0.358 0.000 1.103 65 L HN 0.051 nan 8.230 nan 0.000 0.468 66 R N 0.426 120.514 120.500 -0.686 0.000 2.694 66 R HA 0.075 4.415 4.340 -0.000 0.000 0.268 66 R C -1.293 174.712 176.300 -0.492 0.000 1.061 66 R CA -0.042 55.804 56.100 -0.423 0.000 1.133 66 R CB 0.012 30.221 30.300 -0.152 0.000 1.020 66 R HN 0.086 nan 8.270 nan 0.000 0.475 67 W N 0.281 121.677 121.300 0.160 0.000 3.060 67 W HA 0.342 5.002 4.660 -0.000 0.000 0.346 67 W C 0.485 177.106 176.519 0.169 0.000 1.194 67 W CA -1.032 56.403 57.345 0.150 0.000 1.105 67 W CB 1.399 30.955 29.460 0.161 0.000 1.487 67 W HN 0.768 nan 8.180 nan 0.000 0.592 68 N N -0.494 118.413 118.700 0.344 0.000 3.100 68 N HA 0.432 5.171 4.740 -0.000 0.000 0.344 68 N C -2.413 172.932 175.510 -0.274 0.000 1.413 68 N CA -1.726 51.339 53.050 0.026 0.000 0.752 68 N CB 0.718 39.229 38.487 0.039 0.000 1.519 68 N HN -0.079 nan 8.380 nan 0.000 0.620 69 P HA 0.014 nan 4.420 nan 0.000 0.231 69 P C -0.000 177.148 177.300 -0.253 0.000 1.154 69 P CA 1.354 64.231 63.100 -0.371 0.000 0.762 69 P CB -0.142 31.410 31.700 -0.247 0.000 0.790 70 A N -1.969 120.715 122.820 -0.226 0.000 2.545 70 A HA 0.174 4.494 4.320 -0.000 0.000 0.277 70 A C 1.262 178.668 177.584 -0.296 0.000 1.301 70 A CA 0.162 52.066 52.037 -0.221 0.000 0.935 70 A CB -0.049 18.823 19.000 -0.213 0.000 1.093 70 A HN -0.004 nan 8.150 nan 0.000 0.519 71 D N -2.793 117.445 120.400 -0.270 0.000 1.810 71 D HA -0.074 4.566 4.640 -0.000 0.000 0.468 71 D C 1.148 177.479 176.300 0.051 0.000 1.071 71 D CA 0.741 54.534 54.000 -0.345 0.000 1.103 71 D CB -0.269 39.787 40.800 -1.239 0.000 1.846 71 D HN 0.274 nan 8.370 nan 0.000 0.522 72 Y N 1.360 121.749 120.300 0.149 0.000 2.347 72 Y HA 0.371 4.920 4.550 -0.000 0.000 0.294 72 Y C 1.857 177.843 175.900 0.143 0.000 1.117 72 Y CA 2.019 60.257 58.100 0.231 0.000 1.184 72 Y CB -0.945 37.722 38.460 0.346 0.000 1.047 72 Y HN -0.058 nan 8.280 nan 0.000 0.546 73 G N 0.653 109.276 108.800 -0.295 0.000 2.448 73 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.219 73 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.219 73 G C 1.809 176.697 174.900 -0.020 0.000 1.127 73 G CA 0.754 45.717 45.100 -0.229 0.000 0.766 73 G HN 0.672 nan 8.290 nan 0.000 0.552 74 G N 0.945 109.737 108.800 -0.013 0.000 2.433 74 G HA2 0.095 4.055 3.960 -0.000 0.000 0.216 74 G HA3 0.095 4.055 3.960 -0.000 0.000 0.216 74 G C 0.788 175.718 174.900 0.049 0.000 1.186 74 G CA 1.068 46.168 45.100 -0.000 0.000 0.779 74 G HN 0.841 nan 8.290 nan 0.000 0.543 75 I N -3.629 116.998 120.570 0.095 0.000 2.646 75 I HA 0.320 4.490 4.170 -0.000 0.000 0.265 75 I C 0.471 176.660 176.117 0.121 0.000 1.350 75 I CA -0.784 60.574 61.300 0.096 0.000 0.990 75 I CB 0.681 38.712 38.000 0.053 0.000 1.352 75 I HN 0.111 nan 8.210 nan 0.000 0.509 76 K N 4.037 124.554 120.400 0.195 0.000 2.387 76 K HA -0.291 4.029 4.320 -0.000 0.000 0.175 76 K C 0.339 176.904 176.600 -0.059 0.000 0.685 76 K CA 3.055 59.416 56.287 0.122 0.000 0.957 76 K CB -0.220 32.294 32.500 0.023 0.000 0.476 76 K HN 0.860 nan 8.250 nan 0.000 0.940 77 K N 1.422 121.724 120.400 -0.163 0.000 2.130 77 K HA 0.548 4.868 4.320 -0.000 0.000 0.268 77 K C 0.194 176.769 176.600 -0.043 0.000 0.983 77 K CA -0.485 55.706 56.287 -0.160 0.000 0.893 77 K CB 1.241 33.607 32.500 -0.223 0.000 1.066 77 K HN 0.494 nan 8.250 nan 0.000 0.450 78 I N -2.354 118.211 120.570 -0.008 0.000 3.279 78 I HA 0.502 4.672 4.170 -0.000 0.000 0.315 78 I C -1.087 175.042 176.117 0.020 0.000 1.187 78 I CA -1.591 59.721 61.300 0.019 0.000 0.953 78 I CB 2.141 40.172 38.000 0.052 0.000 1.279 78 I HN 0.615 nan 8.210 nan 0.000 0.465 79 R N 2.564 123.080 120.500 0.026 0.000 2.215 79 R HA 0.633 4.972 4.340 -0.000 0.000 0.336 79 R C -1.635 174.688 176.300 0.038 0.000 0.996 79 R CA -0.627 55.489 56.100 0.027 0.000 0.847 79 R CB 0.929 31.244 30.300 0.024 0.000 1.127 79 R HN 0.666 nan 8.270 nan 0.000 0.465 80 L N 3.023 124.270 121.223 0.040 0.000 2.341 80 L HA 0.753 5.093 4.340 -0.000 0.000 0.278 80 L C -2.755 174.133 176.870 0.030 0.000 1.005 80 L CA -2.620 52.248 54.840 0.047 0.000 0.818 80 L CB 1.452 43.548 42.059 0.062 0.000 1.259 80 L HN 0.403 nan 8.230 nan 0.000 0.418 81 P HA 0.213 nan 4.420 nan 0.000 0.275 81 P C 0.694 177.980 177.300 -0.023 0.000 1.228 81 P CA -0.257 62.850 63.100 0.012 0.000 0.786 81 P CB 1.482 33.200 31.700 0.030 0.000 0.927 82 S N 2.554 118.191 115.700 -0.105 0.000 2.460 82 S HA -0.321 4.149 4.470 -0.000 0.000 0.241 82 S C 1.158 175.683 174.600 -0.124 0.000 1.051 82 S CA 2.461 60.516 58.200 -0.242 0.000 1.223 82 S CB -1.228 61.722 63.200 -0.415 0.000 1.160 82 S HN 0.567 nan 8.310 nan 0.000 0.424 83 D N 1.112 121.473 120.400 -0.065 0.000 3.609 83 D HA -0.261 4.379 4.640 -0.000 0.000 0.548 83 D C 1.255 177.571 176.300 0.026 0.000 1.197 83 D CA 2.302 56.302 54.000 -0.000 0.000 1.532 83 D CB -1.642 39.178 40.800 0.034 0.000 0.415 83 D HN 0.588 nan 8.370 nan 0.000 0.646 84 D N 0.260 120.712 120.400 0.087 0.000 2.357 84 D HA -0.044 4.596 4.640 -0.000 0.000 0.216 84 D C 0.378 176.805 176.300 0.212 0.000 0.973 84 D CA 0.330 54.455 54.000 0.208 0.000 0.912 84 D CB 0.052 41.091 40.800 0.397 0.000 0.900 84 D HN 0.157 nan 8.370 nan 0.000 0.501 85 V N 0.341 120.303 119.914 0.081 0.000 2.617 85 V HA 0.179 4.299 4.120 -0.000 0.000 0.298 85 V C -0.383 175.728 176.094 0.027 0.000 1.048 85 V CA -1.120 61.216 62.300 0.059 0.000 0.964 85 V CB 1.608 33.426 31.823 -0.008 0.000 1.004 85 V HN 0.143 nan 8.190 nan 0.000 0.466 86 W N 7.308 128.490 121.300 -0.198 0.000 2.507 86 W HA 0.450 5.109 4.660 -0.000 0.000 0.334 86 W C -0.096 176.233 176.519 -0.317 0.000 1.165 86 W CA -1.107 56.094 57.345 -0.240 0.000 1.460 86 W CB 0.359 29.648 29.460 -0.284 0.000 1.404 86 W HN 0.468 nan 8.180 nan 0.000 0.435 87 L N 8.082 129.075 121.223 -0.382 0.000 2.325 87 L HA 0.392 4.732 4.340 -0.000 0.000 0.284 87 L C -1.904 174.743 176.870 -0.371 0.000 1.089 87 L CA -1.781 52.973 54.840 -0.142 0.000 0.836 87 L CB -0.300 41.927 42.059 0.279 0.000 1.184 87 L HN 0.307 nan 8.230 nan 0.000 0.444 88 P HA 0.023 nan 4.420 nan 0.000 0.264 88 P C -0.509 176.818 177.300 0.046 0.000 1.193 88 P CA -0.159 62.739 63.100 -0.338 0.000 0.763 88 P CB 0.590 32.165 31.700 -0.208 0.000 0.810 89 D N 3.470 123.978 120.400 0.179 0.000 2.598 89 D HA 0.079 4.719 4.640 -0.000 0.000 0.231 89 D C 0.306 176.795 176.300 0.316 0.000 1.127 89 D CA -0.075 54.082 54.000 0.263 0.000 1.126 89 D CB -0.942 39.935 40.800 0.128 0.000 1.124 89 D HN 0.247 nan 8.370 nan 0.000 0.485 90 L N 0.444 121.791 121.223 0.206 0.000 2.514 90 L HA 0.251 4.590 4.340 -0.000 0.000 0.280 90 L C 0.207 177.096 176.870 0.032 0.000 1.223 90 L CA -0.066 54.871 54.840 0.161 0.000 0.864 90 L CB 0.391 42.563 42.059 0.189 0.000 1.118 90 L HN 0.106 nan 8.230 nan 0.000 0.494 91 V N 3.697 123.663 119.914 0.088 0.000 2.789 91 V HA 0.192 4.311 4.120 -0.000 0.000 0.300 91 V C -0.317 175.839 176.094 0.103 0.000 1.184 91 V CA -0.596 61.694 62.300 -0.016 0.000 0.930 91 V CB 2.277 34.053 31.823 -0.079 0.000 1.041 91 V HN 0.444 nan 8.190 nan 0.000 0.430 92 L N 5.786 126.996 121.223 -0.022 0.000 2.407 92 L HA 0.299 4.639 4.340 -0.000 0.000 0.282 92 L C 1.387 178.315 176.870 0.097 0.000 1.110 92 L CA 0.323 55.148 54.840 -0.026 0.000 0.863 92 L CB -0.529 41.478 42.059 -0.087 0.000 1.207 92 L HN 0.791 nan 8.230 nan 0.000 0.454 93 Y N 3.258 123.515 120.300 -0.071 0.000 1.885 93 Y HA -0.394 4.156 4.550 -0.000 0.000 0.233 93 Y C 2.183 178.051 175.900 -0.054 0.000 1.104 93 Y CA 1.778 59.854 58.100 -0.040 0.000 1.045 93 Y CB -0.201 38.255 38.460 -0.006 0.000 0.906 93 Y HN 0.716 nan 8.280 nan 0.000 0.508 94 N N 0.595 119.387 118.700 0.154 0.000 2.449 94 N HA -0.039 4.701 4.740 -0.000 0.000 0.191 94 N C -0.110 175.503 175.510 0.171 0.000 1.161 94 N CA 0.254 53.365 53.050 0.100 0.000 0.863 94 N CB -0.248 38.259 38.487 0.033 0.000 0.980 94 N HN 0.543 nan 8.380 nan 0.000 0.458 95 N N 0.913 119.674 118.700 0.102 0.000 3.100 95 N HA 0.330 5.069 4.740 -0.000 0.000 0.309 95 N C 0.436 175.903 175.510 -0.071 0.000 1.404 95 N CA 0.052 53.167 53.050 0.108 0.000 0.727 95 N CB -0.019 38.436 38.487 -0.053 0.000 1.627 95 N HN 0.073 nan 8.380 nan 0.000 0.464 96 A N 0.285 122.978 122.820 -0.211 0.000 3.383 96 A HA -0.201 4.119 4.320 -0.000 0.000 0.264 96 A C 1.027 178.393 177.584 -0.365 0.000 1.154 96 A CA 1.262 53.112 52.037 -0.312 0.000 1.179 96 A CB -2.352 16.480 19.000 -0.280 0.000 1.133 96 A HN 0.687 nan 8.150 nan 0.000 0.933 97 D N -0.096 120.074 120.400 -0.384 0.000 2.332 97 D HA 0.072 4.712 4.640 -0.000 0.000 0.209 97 D C 0.890 177.008 176.300 -0.304 0.000 0.988 97 D CA 2.208 55.968 54.000 -0.402 0.000 0.912 97 D CB -0.300 40.270 40.800 -0.384 0.000 0.899 97 D HN 1.339 nan 8.370 nan 0.000 0.477 98 G N -0.708 107.906 108.800 -0.310 0.000 2.690 98 G HA2 0.323 4.282 3.960 -0.000 0.000 0.293 98 G HA3 0.323 4.282 3.960 -0.000 0.000 0.293 98 G C -1.207 173.621 174.900 -0.119 0.000 1.399 98 G CA -0.719 44.267 45.100 -0.190 0.000 0.890 98 G HN -0.133 nan 8.290 nan 0.000 0.485 99 D N 0.166 120.562 120.400 -0.007 0.000 2.382 99 D HA 0.108 4.748 4.640 -0.000 0.000 0.240 99 D C 0.180 176.638 176.300 0.264 0.000 1.146 99 D CA 0.549 54.599 54.000 0.083 0.000 0.897 99 D CB 0.960 41.843 40.800 0.140 0.000 1.197 99 D HN 0.181 nan 8.370 nan 0.000 0.432 100 F N 0.379 120.414 119.950 0.142 0.000 2.538 100 F HA 0.180 4.707 4.527 -0.000 0.000 0.371 100 F C 0.842 176.688 175.800 0.078 0.000 1.087 100 F CA -0.689 57.393 58.000 0.136 0.000 1.250 100 F CB 0.650 39.647 39.000 -0.006 0.000 1.110 100 F HN 0.207 nan 8.300 nan 0.000 0.570 101 A N 6.165 129.141 122.820 0.262 0.000 2.256 101 A HA 0.594 4.914 4.320 -0.000 0.000 0.317 101 A C 0.132 177.748 177.584 0.054 0.000 1.318 101 A CA -0.453 51.680 52.037 0.160 0.000 0.894 101 A CB 0.002 19.098 19.000 0.160 0.000 1.165 101 A HN 0.949 nan 8.150 nan 0.000 0.525 102 I N 1.821 122.441 120.570 0.083 0.000 5.546 102 I HA -0.228 3.942 4.170 -0.000 0.000 0.126 102 I C 0.884 177.009 176.117 0.013 0.000 1.814 102 I CA -0.072 61.267 61.300 0.065 0.000 2.037 102 I CB -2.087 35.933 38.000 0.033 0.000 3.357 102 I HN 0.393 nan 8.210 nan 0.000 0.169 103 V N 0.636 120.520 119.914 -0.049 0.000 2.535 103 V HA -0.024 4.096 4.120 -0.000 0.000 0.246 103 V C 1.675 177.889 176.094 0.200 0.000 1.045 103 V CA 1.454 63.694 62.300 -0.098 0.000 1.058 103 V CB -0.269 31.436 31.823 -0.198 0.000 0.689 103 V HN 0.414 nan 8.190 nan 0.000 0.461 104 H N 1.306 120.555 119.070 0.299 0.000 2.822 104 H HA 0.087 4.643 4.556 -0.000 0.000 0.373 104 H C 1.101 176.572 175.328 0.239 0.000 1.223 104 H CA 0.268 56.489 56.048 0.288 0.000 1.436 104 H CB -0.036 29.843 29.762 0.195 0.000 1.439 104 H HN 0.288 nan 8.280 nan 0.000 0.618 105 M N 0.269 120.057 119.600 0.313 0.000 2.465 105 M HA -0.197 4.283 4.480 -0.000 0.000 0.173 105 M C -1.312 175.089 176.300 0.169 0.000 1.020 105 M CA 0.879 56.289 55.300 0.183 0.000 0.579 105 M CB -2.734 29.950 32.600 0.140 0.000 1.125 105 M HN 0.508 nan 8.290 nan 0.000 0.841 106 T N 1.945 116.611 114.554 0.186 0.000 2.762 106 T HA 0.855 5.205 4.350 -0.000 0.000 0.272 106 T C 0.250 175.012 174.700 0.102 0.000 0.982 106 T CA -0.713 61.498 62.100 0.187 0.000 1.013 106 T CB 2.398 71.460 68.868 0.323 0.000 1.309 106 T HN 0.688 nan 8.240 nan 0.000 0.572 107 K N -0.064 120.399 120.400 0.105 0.000 2.346 107 K HA 0.839 5.159 4.320 -0.000 0.000 0.238 107 K C -1.274 175.355 176.600 0.048 0.000 1.039 107 K CA -0.949 55.364 56.287 0.044 0.000 0.861 107 K CB 1.378 33.905 32.500 0.045 0.000 1.278 107 K HN 0.459 nan 8.250 nan 0.000 0.460 108 L N -0.143 121.089 121.223 0.015 0.000 2.389 108 L HA 0.582 4.922 4.340 -0.000 0.000 0.249 108 L C -0.889 175.988 176.870 0.011 0.000 1.083 108 L CA -1.408 53.445 54.840 0.022 0.000 0.876 108 L CB 1.563 43.622 42.059 -0.001 0.000 1.489 108 L HN 0.506 nan 8.230 nan 0.000 0.412 109 L N 2.079 123.297 121.223 -0.009 0.000 2.385 109 L HA 0.532 4.872 4.340 -0.000 0.000 0.273 109 L C -1.177 175.674 176.870 -0.033 0.000 0.990 109 L CA -0.617 54.211 54.840 -0.020 0.000 0.821 109 L CB 2.361 44.398 42.059 -0.036 0.000 1.279 109 L HN 0.270 nan 8.230 nan 0.000 0.412 110 L N 2.206 123.419 121.223 -0.016 0.000 2.329 110 L HA 0.566 4.906 4.340 -0.000 0.000 0.279 110 L C -0.662 176.176 176.870 -0.053 0.000 1.014 110 L CA 0.115 54.943 54.840 -0.020 0.000 0.814 110 L CB 1.494 43.571 42.059 0.029 0.000 1.257 110 L HN 0.439 nan 8.230 nan 0.000 0.424 111 D N 1.963 122.308 120.400 -0.092 0.000 2.388 111 D HA 0.213 4.853 4.640 -0.000 0.000 0.254 111 D C 0.532 176.788 176.300 -0.072 0.000 1.111 111 D CA 0.197 54.075 54.000 -0.205 0.000 0.993 111 D CB 0.505 41.195 40.800 -0.183 0.000 1.118 111 D HN 0.529 nan 8.370 nan 0.000 0.502 112 Y N -1.026 119.238 120.300 -0.060 0.000 2.365 112 Y HA -0.135 4.415 4.550 -0.000 0.000 0.287 112 Y C 1.916 177.775 175.900 -0.069 0.000 1.162 112 Y CA 0.872 58.905 58.100 -0.111 0.000 1.260 112 Y CB -1.694 36.316 38.460 -0.750 0.000 0.976 112 Y HN 0.173 nan 8.280 nan 0.000 0.548 113 T N -1.293 113.402 114.554 0.235 0.000 2.953 113 T HA 0.402 4.752 4.350 -0.000 0.000 0.247 113 T C 1.850 176.540 174.700 -0.018 0.000 1.029 113 T CA 1.440 63.592 62.100 0.086 0.000 1.144 113 T CB -0.238 68.681 68.868 0.085 0.000 0.870 113 T HN 0.612 nan 8.240 nan 0.000 0.446 114 G N 0.797 109.578 108.800 -0.033 0.000 3.876 114 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.203 114 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.203 114 G C 0.096 174.973 174.900 -0.039 0.000 1.162 114 G CA -0.227 44.820 45.100 -0.089 0.000 0.903 114 G HN 0.412 nan 8.290 nan 0.000 0.390 115 K N 2.088 122.481 120.400 -0.011 0.000 2.464 115 K HA 0.033 4.353 4.320 -0.000 0.000 0.265 115 K C 0.020 176.587 176.600 -0.055 0.000 1.055 115 K CA 0.885 57.163 56.287 -0.015 0.000 1.161 115 K CB -0.412 32.079 32.500 -0.015 0.000 0.804 115 K HN 0.536 nan 8.250 nan 0.000 0.486 116 I N 2.719 123.232 120.570 -0.094 0.000 2.646 116 I HA 0.458 4.628 4.170 -0.000 0.000 0.299 116 I C -0.400 175.492 176.117 -0.375 0.000 1.036 116 I CA -1.184 60.015 61.300 -0.169 0.000 1.074 116 I CB 1.877 39.845 38.000 -0.054 0.000 1.258 116 I HN 0.591 nan 8.210 nan 0.000 0.430 117 M N 5.021 124.460 119.600 -0.268 0.000 2.535 117 M HA 0.530 5.010 4.480 -0.000 0.000 0.314 117 M C -2.225 173.984 176.300 -0.151 0.000 1.153 117 M CA -0.274 54.854 55.300 -0.287 0.000 0.924 117 M CB 2.639 35.147 32.600 -0.153 0.000 1.710 117 M HN 0.747 nan 8.290 nan 0.000 0.451 118 W N 4.741 125.818 121.300 -0.371 0.000 2.631 118 W HA 0.531 5.191 4.660 -0.000 0.000 0.321 118 W C -1.427 175.014 176.519 -0.130 0.000 1.004 118 W CA -0.908 56.342 57.345 -0.159 0.000 1.291 118 W CB 1.289 30.746 29.460 -0.006 0.000 1.300 118 W HN 0.716 nan 8.180 nan 0.000 0.422 119 T N 3.766 118.402 114.554 0.137 0.000 3.504 119 T HA 0.364 4.714 4.350 -0.000 0.000 0.286 119 T C -2.603 172.055 174.700 -0.070 0.000 1.530 119 T CA -1.517 60.543 62.100 -0.067 0.000 1.652 119 T CB 0.777 69.612 68.868 -0.056 0.000 0.895 119 T HN 0.255 nan 8.240 nan 0.000 0.674 120 P HA 0.337 nan 4.420 nan 0.000 0.281 120 P C -2.828 174.359 177.300 -0.189 0.000 1.252 120 P CA -1.780 61.266 63.100 -0.090 0.000 0.778 120 P CB 0.477 32.169 31.700 -0.013 0.000 0.895 121 P HA 0.120 nan 4.420 nan 0.000 0.263 121 P C -0.283 176.924 177.300 -0.156 0.000 1.276 121 P CA 0.459 63.487 63.100 -0.120 0.000 0.986 121 P CB -0.296 31.370 31.700 -0.056 0.000 1.105 122 A N 4.220 126.884 122.820 -0.260 0.000 2.294 122 A HA 0.805 5.125 4.320 -0.000 0.000 0.330 122 A C -0.487 176.961 177.584 -0.226 0.000 1.133 122 A CA -0.848 51.003 52.037 -0.310 0.000 0.836 122 A CB 0.853 19.464 19.000 -0.647 0.000 1.190 122 A HN 0.542 nan 8.150 nan 0.000 0.492 123 I N 1.715 122.198 120.570 -0.144 0.000 2.627 123 I HA 0.584 4.754 4.170 -0.000 0.000 0.288 123 I C -1.142 175.077 176.117 0.170 0.000 1.202 123 I CA -0.573 60.713 61.300 -0.023 0.000 1.050 123 I CB 1.009 39.026 38.000 0.028 0.000 1.264 123 I HN 0.835 nan 8.210 nan 0.000 0.429 124 F N 4.196 124.203 119.950 0.096 0.000 2.894 124 F HA 0.652 5.179 4.527 -0.000 0.000 0.332 124 F C -1.604 174.250 175.800 0.090 0.000 1.192 124 F CA -1.344 56.731 58.000 0.126 0.000 0.980 124 F CB 1.422 40.570 39.000 0.246 0.000 1.448 124 F HN 0.123 nan 8.300 nan 0.000 0.514 125 K N 1.617 122.020 120.400 0.006 0.000 2.240 125 K HA 0.457 4.777 4.320 -0.000 0.000 0.271 125 K C -1.199 175.036 176.600 -0.608 0.000 1.018 125 K CA -0.288 55.872 56.287 -0.213 0.000 0.874 125 K CB 1.786 34.200 32.500 -0.143 0.000 1.098 125 K HN 0.680 nan 8.250 nan 0.000 0.458 126 S N 2.007 117.468 115.700 -0.398 0.000 2.704 126 S HA 0.508 4.978 4.470 -0.000 0.000 0.305 126 S C -1.439 173.099 174.600 -0.102 0.000 1.107 126 S CA -0.784 57.200 58.200 -0.359 0.000 0.993 126 S CB 1.131 64.221 63.200 -0.183 0.000 1.110 126 S HN 0.510 nan 8.310 nan 0.000 0.534 127 Y N 1.075 121.211 120.300 -0.272 0.000 2.379 127 Y HA 0.451 5.001 4.550 -0.000 0.000 0.342 127 Y C -0.765 175.007 175.900 -0.213 0.000 1.126 127 Y CA -1.261 56.705 58.100 -0.224 0.000 1.310 127 Y CB 0.452 38.783 38.460 -0.215 0.000 1.115 127 Y HN 1.124 nan 8.280 nan 0.000 0.505 128 c N 3.353 121.752 118.600 -0.337 0.000 2.707 128 c HA 0.673 5.243 4.570 -0.000 0.000 0.313 128 c C 0.131 173.996 174.090 -0.375 0.000 1.209 128 c CA -0.894 55.219 56.329 -0.359 0.000 1.635 128 c CB 1.713 43.999 42.510 -0.373 0.000 2.206 128 c HN 0.867 nan 8.230 nan 0.000 0.485 129 E N 1.194 121.215 120.200 -0.298 0.000 2.492 129 E HA -0.018 4.332 4.350 -0.000 0.000 0.266 129 E C 0.249 176.738 176.600 -0.185 0.000 1.047 129 E CA 0.812 57.074 56.400 -0.229 0.000 0.968 129 E CB 0.417 30.030 29.700 -0.145 0.000 0.960 129 E HN 0.946 nan 8.360 nan 0.000 0.452 130 I N 2.521 123.001 120.570 -0.149 0.000 5.251 130 I HA 0.069 4.239 4.170 -0.000 0.000 0.340 130 I C 0.989 177.105 176.117 -0.000 0.000 1.201 130 I CA 0.408 61.650 61.300 -0.095 0.000 1.500 130 I CB -1.411 36.402 38.000 -0.311 0.000 1.636 130 I HN 0.766 nan 8.210 nan 0.000 0.561 131 I N 1.118 121.646 120.570 -0.071 0.000 4.141 131 I HA -0.299 3.871 4.170 -0.000 0.000 0.127 131 I C 1.112 177.218 176.117 -0.020 0.000 1.050 131 I CA 1.036 62.307 61.300 -0.048 0.000 2.708 131 I CB -0.833 37.155 38.000 -0.020 0.000 1.479 131 I HN 0.071 nan 8.210 nan 0.000 0.336 132 V N -2.353 117.548 119.914 -0.022 0.000 3.623 132 V HA 0.031 4.151 4.120 -0.000 0.000 0.274 132 V C 1.353 177.463 176.094 0.027 0.000 1.244 132 V CA 1.363 63.648 62.300 -0.025 0.000 1.182 132 V CB -1.063 30.731 31.823 -0.049 0.000 0.925 132 V HN 0.832 nan 8.190 nan 0.000 0.462 133 T N -0.264 114.328 114.554 0.064 0.000 3.176 133 T HA 0.149 4.499 4.350 -0.000 0.000 0.263 133 T C 1.332 176.113 174.700 0.135 0.000 1.021 133 T CA 0.169 62.332 62.100 0.105 0.000 0.905 133 T CB -0.346 68.575 68.868 0.088 0.000 1.057 133 T HN 0.692 nan 8.240 nan 0.000 0.558 134 H N 0.063 119.163 119.070 0.050 0.000 2.476 134 H HA 0.183 4.739 4.556 -0.000 0.000 0.292 134 H C 1.467 176.863 175.328 0.113 0.000 1.019 134 H CA 0.454 56.537 56.048 0.059 0.000 1.330 134 H CB -0.165 29.592 29.762 -0.008 0.000 1.451 134 H HN 0.441 nan 8.280 nan 0.000 0.535 135 F N 2.718 122.715 119.950 0.080 0.000 2.771 135 F HA 0.199 4.725 4.527 -0.000 0.000 0.299 135 F C -1.839 173.911 175.800 -0.082 0.000 1.177 135 F CA -1.332 56.663 58.000 -0.008 0.000 1.450 135 F CB -0.528 38.405 39.000 -0.111 0.000 1.114 135 F HN 0.108 nan 8.300 nan 0.000 0.587 136 P HA -0.127 nan 4.420 nan 0.000 0.271 136 P C 0.652 178.122 177.300 0.283 0.000 1.238 136 P CA 0.518 63.849 63.100 0.385 0.000 0.794 136 P CB 0.351 32.278 31.700 0.378 0.000 0.959 137 F N 0.045 120.162 119.950 0.278 0.000 2.615 137 F HA -0.069 4.458 4.527 -0.000 0.000 0.297 137 F C 1.675 177.507 175.800 0.054 0.000 1.124 137 F CA 0.286 58.343 58.000 0.094 0.000 1.451 137 F CB 0.171 39.202 39.000 0.052 0.000 1.103 137 F HN 0.318 nan 8.300 nan 0.000 0.569 138 D N -0.120 120.449 120.400 0.281 0.000 2.363 138 D HA -0.031 4.609 4.640 -0.000 0.000 0.214 138 D C 0.638 177.012 176.300 0.124 0.000 1.093 138 D CA 0.107 54.208 54.000 0.169 0.000 0.837 138 D CB -0.281 40.616 40.800 0.162 0.000 0.948 138 D HN 0.229 nan 8.370 nan 0.000 0.507 139 Q N 0.386 120.247 119.800 0.102 0.000 0.593 139 Q HA -0.320 4.020 4.340 -0.000 0.000 0.415 139 Q C -1.119 174.915 176.000 0.055 0.000 1.074 139 Q CA 1.065 56.880 55.803 0.020 0.000 0.285 139 Q CB -0.982 27.753 28.738 -0.004 0.000 5.559 139 Q HN 0.402 nan 8.270 nan 0.000 0.362 140 Q N 0.596 120.421 119.800 0.042 0.000 2.389 140 Q HA 0.483 4.823 4.340 -0.000 0.000 0.277 140 Q C -1.296 174.772 176.000 0.114 0.000 1.082 140 Q CA -0.196 55.658 55.803 0.085 0.000 0.810 140 Q CB 1.304 30.098 28.738 0.093 0.000 1.374 140 Q HN 0.743 nan 8.270 nan 0.000 0.422 141 N N 1.982 120.754 118.700 0.120 0.000 2.521 141 N HA 0.111 4.851 4.740 -0.000 0.000 0.236 141 N C -0.691 174.849 175.510 0.049 0.000 1.067 141 N CA -0.225 52.914 53.050 0.148 0.000 0.939 141 N CB 0.464 39.083 38.487 0.220 0.000 1.201 141 N HN 0.480 nan 8.380 nan 0.000 0.511 142 c N 2.810 121.494 118.600 0.139 0.000 2.447 142 c HA -0.021 4.549 4.570 -0.000 0.000 0.402 142 c C 1.335 175.403 174.090 -0.035 0.000 1.473 142 c CA 0.059 56.394 56.329 0.010 0.000 1.402 142 c CB -2.045 40.395 42.510 -0.117 0.000 2.435 142 c HN 0.685 nan 8.230 nan 0.000 0.626 143 T N 4.889 119.339 114.554 -0.174 0.000 2.738 143 T HA 0.422 4.772 4.350 -0.000 0.000 0.294 143 T C -0.329 174.304 174.700 -0.111 0.000 0.914 143 T CA -0.272 61.685 62.100 -0.238 0.000 1.052 143 T CB 0.110 68.850 68.868 -0.214 0.000 0.897 143 T HN 0.645 nan 8.240 nan 0.000 0.522 144 M N 3.836 123.436 119.600 -0.001 0.000 2.053 144 M HA 0.362 4.842 4.480 -0.000 0.000 0.297 144 M C -0.259 175.886 176.300 -0.258 0.000 0.921 144 M CA -0.627 54.609 55.300 -0.108 0.000 0.918 144 M CB 2.220 34.769 32.600 -0.085 0.000 1.499 144 M HN 0.595 nan 8.290 nan 0.000 0.422 145 K N 2.878 123.067 120.400 -0.352 0.000 2.172 145 K HA 0.702 5.022 4.320 -0.000 0.000 0.276 145 K C -1.414 174.608 176.600 -0.963 0.000 1.013 145 K CA -0.438 55.447 56.287 -0.671 0.000 0.913 145 K CB 1.137 33.157 32.500 -0.799 0.000 1.055 145 K HN 0.432 nan 8.250 nan 0.000 0.461 146 L N 1.641 122.329 121.223 -0.891 0.000 2.401 146 L HA 0.741 5.080 4.340 -0.000 0.000 0.266 146 L C -0.073 176.626 176.870 -0.286 0.000 0.991 146 L CA -0.372 54.156 54.840 -0.520 0.000 0.818 146 L CB 2.197 44.106 42.059 -0.250 0.000 1.321 146 L HN 0.793 nan 8.230 nan 0.000 0.413 147 G N 1.492 110.406 108.800 0.190 0.000 2.338 147 G HA2 0.301 4.261 3.960 -0.000 0.000 0.295 147 G HA3 0.301 4.261 3.960 -0.000 0.000 0.295 147 G C -1.304 173.921 174.900 0.542 0.000 1.461 147 G CA -0.937 44.407 45.100 0.407 0.000 0.817 147 G HN 0.639 nan 8.290 nan 0.000 0.556 148 I N 1.628 122.473 120.570 0.458 0.000 3.163 148 I HA -0.112 4.058 4.170 -0.000 0.000 0.332 148 I C 1.547 177.897 176.117 0.389 0.000 1.205 148 I CA 0.683 62.222 61.300 0.398 0.000 1.473 148 I CB 0.440 38.678 38.000 0.397 0.000 1.300 148 I HN 0.730 nan 8.210 nan 0.000 0.532 149 W N 6.135 127.459 121.300 0.040 0.000 2.720 149 W HA -0.067 4.593 4.660 -0.000 0.000 0.301 149 W C 1.449 177.761 176.519 -0.346 0.000 1.097 149 W CA 0.785 58.044 57.345 -0.143 0.000 1.573 149 W CB -0.242 29.148 29.460 -0.116 0.000 1.160 149 W HN 0.490 nan 8.180 nan 0.000 0.520 150 T N 0.375 114.224 114.554 -1.174 0.000 3.163 150 T HA 0.187 4.537 4.350 -0.000 0.000 0.252 150 T C -1.137 172.878 174.700 -1.141 0.000 1.056 150 T CA -0.128 61.133 62.100 -1.399 0.000 0.947 150 T CB -0.811 66.985 68.868 -1.787 0.000 1.016 150 T HN 0.106 nan 8.240 nan 0.000 0.554 151 Y N 0.684 120.891 120.300 -0.156 0.000 2.446 151 Y HA 0.600 5.150 4.550 -0.000 0.000 0.345 151 Y C 0.059 175.968 175.900 0.016 0.000 0.984 151 Y CA -1.732 56.349 58.100 -0.031 0.000 1.058 151 Y CB 1.096 39.613 38.460 0.095 0.000 1.220 151 Y HN 0.024 nan 8.280 nan 0.000 0.455 152 D N 0.380 120.867 120.400 0.145 0.000 2.348 152 D HA 0.259 4.899 4.640 -0.000 0.000 0.249 152 D C 1.272 177.616 176.300 0.074 0.000 1.110 152 D CA 0.013 54.078 54.000 0.108 0.000 0.967 152 D CB 1.081 41.917 40.800 0.060 0.000 1.139 152 D HN 0.842 nan 8.370 nan 0.000 0.466 153 G N -0.616 108.204 108.800 0.034 0.000 2.615 153 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.213 153 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.213 153 G C 1.077 175.344 174.900 -1.055 0.000 1.135 153 G CA 0.729 45.651 45.100 -0.296 0.000 0.772 153 G HN 0.417 nan 8.290 nan 0.000 0.542 154 T N -0.330 113.983 114.554 -0.402 0.000 3.040 154 T HA 0.103 4.453 4.350 -0.000 0.000 0.252 154 T C 2.272 177.116 174.700 0.239 0.000 1.064 154 T CA 0.486 62.521 62.100 -0.109 0.000 1.110 154 T CB 0.173 69.112 68.868 0.118 0.000 0.921 154 T HN 0.071 nan 8.240 nan 0.000 0.480 155 K N 0.493 120.974 120.400 0.135 0.000 2.214 155 K HA 0.397 4.717 4.320 -0.000 0.000 0.201 155 K C 0.588 177.315 176.600 0.212 0.000 1.049 155 K CA 0.380 56.768 56.287 0.168 0.000 0.978 155 K CB 0.143 32.736 32.500 0.155 0.000 0.842 155 K HN 0.270 nan 8.250 nan 0.000 0.474 156 V N -0.011 120.040 119.914 0.228 0.000 3.258 156 V HA 0.539 4.659 4.120 -0.000 0.000 0.299 156 V C -2.068 174.173 176.094 0.245 0.000 1.376 156 V CA -0.578 61.900 62.300 0.297 0.000 1.063 156 V CB 2.297 34.377 31.823 0.429 0.000 1.103 156 V HN 0.337 nan 8.190 nan 0.000 0.451 157 S N 3.829 119.701 115.700 0.286 0.000 2.668 157 S HA 0.610 5.080 4.470 -0.000 0.000 0.277 157 S C -1.054 173.710 174.600 0.274 0.000 1.170 157 S CA -0.466 57.900 58.200 0.277 0.000 0.994 157 S CB 1.232 64.609 63.200 0.294 0.000 1.051 157 S HN 0.951 nan 8.310 nan 0.000 0.484 158 I N 4.062 124.793 120.570 0.269 0.000 2.352 158 I HA 0.431 4.601 4.170 -0.000 0.000 0.290 158 I C 0.311 176.557 176.117 0.214 0.000 1.036 158 I CA 0.232 61.678 61.300 0.245 0.000 1.336 158 I CB 1.087 39.239 38.000 0.253 0.000 1.407 158 I HN 0.971 nan 8.210 nan 0.000 0.497 159 S N 8.257 124.074 115.700 0.195 0.000 2.638 159 S HA 0.709 5.178 4.470 -0.000 0.000 0.302 159 S C -2.778 171.906 174.600 0.139 0.000 1.096 159 S CA -1.443 56.856 58.200 0.165 0.000 0.953 159 S CB 2.108 65.406 63.200 0.163 0.000 1.107 159 S HN 0.317 nan 8.310 nan 0.000 0.503 160 P HA 0.362 nan 4.420 nan 0.000 0.282 160 P C -0.086 177.264 177.300 0.084 0.000 1.287 160 P CA -0.154 63.006 63.100 0.100 0.000 0.792 160 P CB 0.941 32.695 31.700 0.090 0.000 1.163 161 E N -0.786 119.452 120.200 0.064 0.000 2.502 161 E HA 0.159 4.509 4.350 -0.000 0.000 0.206 161 E C -0.150 176.468 176.600 0.031 0.000 0.821 161 E CA 0.056 56.484 56.400 0.047 0.000 1.354 161 E CB 0.276 29.999 29.700 0.039 0.000 1.336 161 E HN 0.478 nan 8.360 nan 0.000 0.675 162 S N -0.797 114.916 115.700 0.022 0.000 2.645 162 S HA 0.312 4.782 4.470 -0.000 0.000 0.268 162 S C -1.677 172.916 174.600 -0.011 0.000 1.110 162 S CA -0.860 57.345 58.200 0.009 0.000 0.823 162 S CB 0.729 63.932 63.200 0.005 0.000 1.091 162 S HN 0.074 nan 8.310 nan 0.000 0.466 163 D N 0.532 120.922 120.400 -0.016 0.000 2.210 163 D HA 0.737 5.377 4.640 -0.000 0.000 0.249 163 D C -0.540 175.747 176.300 -0.022 0.000 1.062 163 D CA -0.051 53.926 54.000 -0.038 0.000 0.891 163 D CB 0.907 41.688 40.800 -0.031 0.000 1.186 163 D HN 0.689 nan 8.370 nan 0.000 0.432 164 R N 1.609 122.095 120.500 -0.022 0.000 2.725 164 R HA 0.399 4.738 4.340 -0.000 0.000 0.254 164 R C -2.674 173.710 176.300 0.141 0.000 1.076 164 R CA -1.243 54.879 56.100 0.036 0.000 0.940 164 R CB 0.675 30.996 30.300 0.035 0.000 1.260 164 R HN 0.172 nan 8.270 nan 0.000 0.466 165 P HA 0.078 nan 4.420 nan 0.000 0.274 165 P C -0.607 176.707 177.300 0.024 0.000 1.246 165 P CA -0.100 63.111 63.100 0.185 0.000 0.795 165 P CB 1.089 32.820 31.700 0.053 0.000 1.006 166 D N 0.335 120.538 120.400 -0.327 0.000 2.327 166 D HA -0.030 4.610 4.640 -0.000 0.000 0.205 166 D C 1.455 177.588 176.300 -0.278 0.000 0.989 166 D CA 0.374 53.843 54.000 -0.884 0.000 0.873 166 D CB -0.363 39.421 40.800 -1.693 0.000 0.955 166 D HN 0.191 nan 8.370 nan 0.000 0.515 167 L N 0.331 121.461 121.223 -0.154 0.000 2.612 167 L HA 0.119 4.459 4.340 -0.000 0.000 0.230 167 L C 1.750 178.630 176.870 0.017 0.000 1.140 167 L CA 0.388 55.205 54.840 -0.038 0.000 0.896 167 L CB -0.237 41.733 42.059 -0.148 0.000 1.065 167 L HN 0.064 nan 8.230 nan 0.000 0.447 168 S N -1.749 113.942 115.700 -0.016 0.000 2.383 168 S HA -0.140 4.330 4.470 -0.000 0.000 0.227 168 S C 1.396 176.004 174.600 0.013 0.000 1.026 168 S CA 1.322 59.521 58.200 -0.001 0.000 0.981 168 S CB -0.482 62.712 63.200 -0.009 0.000 0.818 168 S HN 0.544 nan 8.310 nan 0.000 0.472 169 T N -1.977 112.590 114.554 0.022 0.000 3.516 169 T HA 0.402 4.752 4.350 -0.000 0.000 0.300 169 T C -0.351 174.386 174.700 0.060 0.000 0.995 169 T CA -0.785 61.330 62.100 0.025 0.000 0.982 169 T CB -0.910 67.959 68.868 0.002 0.000 1.199 169 T HN 0.237 nan 8.240 nan 0.000 0.481 170 F N 3.109 123.019 119.950 -0.067 0.000 2.518 170 F HA 0.487 5.014 4.527 -0.000 0.000 0.359 170 F C 0.607 176.349 175.800 -0.097 0.000 1.118 170 F CA -1.300 56.660 58.000 -0.066 0.000 1.287 170 F CB 0.737 39.685 39.000 -0.086 0.000 1.132 170 F HN 0.322 nan 8.300 nan 0.000 0.587 171 M N 6.012 125.053 119.600 -0.931 0.000 2.268 171 M HA 0.068 4.548 4.480 -0.000 0.000 0.349 171 M C 0.663 176.369 176.300 -0.990 0.000 1.485 171 M CA 0.396 55.205 55.300 -0.819 0.000 1.094 171 M CB 0.489 32.674 32.600 -0.691 0.000 1.843 171 M HN 0.806 nan 8.290 nan 0.000 0.460 172 E N 1.796 121.731 120.200 -0.442 0.000 2.482 172 E HA -0.074 4.276 4.350 -0.000 0.000 0.196 172 E C 1.112 177.551 176.600 -0.268 0.000 1.047 172 E CA 0.387 56.628 56.400 -0.265 0.000 0.869 172 E CB 0.193 29.826 29.700 -0.112 0.000 0.836 172 E HN 0.783 nan 8.360 nan 0.000 0.520 173 S N 0.282 115.781 115.700 -0.334 0.000 2.575 173 S HA 0.116 4.586 4.470 -0.000 0.000 0.215 173 S C 0.744 175.157 174.600 -0.311 0.000 0.966 173 S CA -0.111 57.951 58.200 -0.229 0.000 0.911 173 S CB 0.130 63.242 63.200 -0.147 0.000 0.780 173 S HN 0.269 nan 8.310 nan 0.000 0.514 174 G N 0.610 108.980 108.800 -0.717 0.000 2.483 174 G HA2 0.245 4.205 3.960 -0.000 0.000 0.248 174 G HA3 0.245 4.205 3.960 -0.000 0.000 0.248 174 G C 0.261 174.950 174.900 -0.350 0.000 1.248 174 G CA -0.336 44.012 45.100 -1.253 0.000 0.838 174 G HN 0.298 nan 8.290 nan 0.000 0.566 175 E N 0.521 120.951 120.200 0.384 0.000 2.445 175 E HA 0.081 4.431 4.350 -0.000 0.000 0.189 175 E C -0.048 176.939 176.600 0.644 0.000 1.069 175 E CA 0.013 56.723 56.400 0.516 0.000 0.871 175 E CB -0.050 29.977 29.700 0.545 0.000 0.991 175 E HN 0.657 nan 8.360 nan 0.000 0.481 176 W N -1.672 119.813 121.300 0.308 0.000 2.992 176 W HA 0.696 5.356 4.660 -0.000 0.000 0.342 176 W C -0.950 175.807 176.519 0.397 0.000 1.176 176 W CA -1.310 56.232 57.345 0.328 0.000 1.118 176 W CB 0.898 30.603 29.460 0.407 0.000 1.457 176 W HN -0.293 nan 8.180 nan 0.000 0.573 177 V N 2.964 123.054 119.914 0.294 0.000 2.888 177 V HA 0.431 4.551 4.120 -0.000 0.000 0.309 177 V C -0.519 175.460 176.094 -0.192 0.000 1.114 177 V CA -1.193 61.074 62.300 -0.056 0.000 0.940 177 V CB 2.340 34.173 31.823 0.017 0.000 1.021 177 V HN 0.652 nan 8.190 nan 0.000 0.426 178 M N 4.784 124.070 119.600 -0.524 0.000 2.250 178 M HA 0.473 4.953 4.480 -0.000 0.000 0.344 178 M C 0.548 176.743 176.300 -0.175 0.000 1.150 178 M CA -0.081 54.988 55.300 -0.385 0.000 1.147 178 M CB 1.285 33.529 32.600 -0.594 0.000 1.498 178 M HN 0.594 nan 8.290 nan 0.000 0.461 179 K N 0.756 121.110 120.400 -0.077 0.000 2.286 179 K HA 0.260 4.580 4.320 -0.000 0.000 0.203 179 K C -0.354 176.235 176.600 -0.017 0.000 1.078 179 K CA 0.714 56.982 56.287 -0.032 0.000 0.957 179 K CB 0.475 32.980 32.500 0.008 0.000 1.018 179 K HN 0.701 nan 8.250 nan 0.000 0.484 180 D N -2.179 118.229 120.400 0.014 0.000 2.926 180 D HA 0.203 4.843 4.640 -0.000 0.000 0.272 180 D C -2.048 174.327 176.300 0.126 0.000 1.172 180 D CA -0.580 53.447 54.000 0.045 0.000 0.731 180 D CB 1.084 41.908 40.800 0.039 0.000 1.282 180 D HN -0.012 nan 8.370 nan 0.000 0.430 181 Y N 0.893 121.149 120.300 -0.074 0.000 2.442 181 Y HA 0.641 5.191 4.550 -0.000 0.000 0.330 181 Y C -1.658 174.202 175.900 -0.068 0.000 1.100 181 Y CA -0.802 57.243 58.100 -0.092 0.000 1.034 181 Y CB 1.113 39.395 38.460 -0.297 0.000 1.285 181 Y HN 0.504 nan 8.280 nan 0.000 0.440 182 R N 3.525 123.836 120.500 -0.315 0.000 2.854 182 R HA 0.959 5.299 4.340 -0.000 0.000 0.271 182 R C -1.405 174.666 176.300 -0.382 0.000 0.994 182 R CA -1.204 54.689 56.100 -0.346 0.000 0.945 182 R CB 2.272 32.510 30.300 -0.103 0.000 1.194 182 R HN 0.972 nan 8.270 nan 0.000 0.476 183 G N 2.209 110.849 108.800 -0.267 0.000 2.739 183 G HA2 0.483 4.442 3.960 -0.000 0.000 0.291 183 G HA3 0.483 4.442 3.960 -0.000 0.000 0.291 183 G C -1.420 173.516 174.900 0.059 0.000 1.478 183 G CA -0.802 44.216 45.100 -0.138 0.000 1.062 183 G HN 0.634 nan 8.290 nan 0.000 0.532 184 W N 2.785 124.057 121.300 -0.047 0.000 2.799 184 W HA 0.715 5.375 4.660 -0.000 0.000 0.349 184 W C -0.287 176.261 176.519 0.049 0.000 1.100 184 W CA -1.454 55.883 57.345 -0.012 0.000 1.174 184 W CB 1.225 30.670 29.460 -0.025 0.000 1.427 184 W HN 0.653 nan 8.180 nan 0.000 0.547 185 K N 1.593 122.109 120.400 0.194 0.000 2.102 185 K HA 0.422 4.741 4.320 -0.000 0.000 0.244 185 K C -0.935 175.713 176.600 0.080 0.000 1.021 185 K CA -0.095 56.239 56.287 0.078 0.000 0.913 185 K CB 1.283 33.873 32.500 0.151 0.000 1.062 185 K HN 0.645 nan 8.250 nan 0.000 0.485 186 H N -0.173 118.864 119.070 -0.055 0.000 3.081 186 H HA 0.164 4.720 4.556 -0.000 0.000 0.322 186 H C -2.364 173.015 175.328 0.085 0.000 1.266 186 H CA -0.980 55.068 56.048 0.000 0.000 1.279 186 H CB 0.968 30.573 29.762 -0.261 0.000 1.954 186 H HN 0.835 nan 8.280 nan 0.000 0.530 187 W N 6.309 127.889 121.300 0.467 0.000 2.361 187 W HA 0.565 5.225 4.660 -0.000 0.000 0.314 187 W C -1.308 175.486 176.519 0.459 0.000 1.041 187 W CA -0.642 56.896 57.345 0.323 0.000 1.241 187 W CB 0.886 30.437 29.460 0.150 0.000 1.279 187 W HN 0.312 nan 8.180 nan 0.000 0.436 188 V N 9.247 128.856 119.914 -0.507 0.000 2.320 188 V HA 0.149 4.269 4.120 -0.000 0.000 0.265 188 V C -0.345 175.177 176.094 -0.954 0.000 1.048 188 V CA -0.698 61.193 62.300 -0.681 0.000 0.865 188 V CB -0.886 30.515 31.823 -0.702 0.000 1.043 188 V HN 0.432 nan 8.190 nan 0.000 0.474 189 Y N 4.099 123.649 120.300 -1.250 0.000 2.323 189 Y HA 0.778 5.328 4.550 -0.000 0.000 0.331 189 Y C -1.054 174.614 175.900 -0.386 0.000 1.092 189 Y CA -1.233 56.373 58.100 -0.824 0.000 1.150 189 Y CB 0.845 38.715 38.460 -0.982 0.000 1.200 189 Y HN 0.500 nan 8.280 nan 0.000 0.472 190 Y N 2.054 122.039 120.300 -0.525 0.000 2.342 190 Y HA 0.272 4.822 4.550 -0.000 0.000 0.334 190 Y C 1.395 177.053 175.900 -0.402 0.000 1.067 190 Y CA -1.254 56.563 58.100 -0.473 0.000 1.128 190 Y CB 1.840 40.157 38.460 -0.238 0.000 1.200 190 Y HN 0.787 nan 8.280 nan 0.000 0.464 191 T N 0.353 114.773 114.554 -0.224 0.000 2.969 191 T HA -0.222 4.128 4.350 -0.000 0.000 0.271 191 T C 1.864 176.556 174.700 -0.013 0.000 1.127 191 T CA 1.504 63.545 62.100 -0.097 0.000 1.102 191 T CB -0.648 68.188 68.868 -0.054 0.000 0.855 191 T HN 0.971 nan 8.240 nan 0.000 0.536 192 C N 1.365 120.666 119.300 0.001 0.000 2.437 192 C HA -0.044 4.416 4.460 -0.000 0.000 0.284 192 C C 1.608 176.597 174.990 -0.001 0.000 1.208 192 C CA -0.653 58.355 59.018 -0.016 0.000 1.764 192 C CB -1.527 26.167 27.740 -0.076 0.000 2.039 192 C HN 0.578 nan 8.230 nan 0.000 0.444 193 C N 1.633 120.940 119.300 0.011 0.000 2.391 193 C HA 0.551 5.011 4.460 -0.000 0.000 0.339 193 C C -0.834 174.216 174.990 0.100 0.000 1.205 193 C CA -0.994 58.048 59.018 0.039 0.000 1.937 193 C CB 0.596 28.346 27.740 0.016 0.000 2.341 193 C HN 0.549 nan 8.230 nan 0.000 0.516 194 P HA -0.024 nan 4.420 nan 0.000 0.245 194 P C 0.084 177.520 177.300 0.227 0.000 1.212 194 P CA 0.927 64.131 63.100 0.175 0.000 0.774 194 P CB 0.088 31.868 31.700 0.134 0.000 0.999 195 D N 0.651 121.175 120.400 0.206 0.000 2.358 195 D HA 0.032 4.672 4.640 -0.000 0.000 0.244 195 D C -0.629 175.891 176.300 0.368 0.000 1.163 195 D CA 0.191 54.333 54.000 0.238 0.000 0.945 195 D CB 0.714 41.609 40.800 0.159 0.000 1.152 195 D HN -0.212 nan 8.370 nan 0.000 0.451 196 T N 3.392 118.200 114.554 0.423 0.000 2.910 196 T HA 0.394 4.744 4.350 -0.000 0.000 0.323 196 T C -2.255 172.778 174.700 0.555 0.000 1.091 196 T CA -1.061 61.480 62.100 0.735 0.000 0.960 196 T CB 1.314 70.534 68.868 0.588 0.000 1.024 196 T HN 0.315 nan 8.240 nan 0.000 0.509 197 P HA 0.177 nan 4.420 nan 0.000 0.276 197 P C 0.022 177.557 177.300 0.392 0.000 1.261 197 P CA -0.910 62.378 63.100 0.313 0.000 0.800 197 P CB 0.292 32.204 31.700 0.353 0.000 1.066 198 Y N -0.513 119.864 120.300 0.127 0.000 2.945 198 Y HA -0.002 4.548 4.550 -0.000 0.000 0.350 198 Y C -0.473 175.558 175.900 0.219 0.000 1.279 198 Y CA -0.624 57.576 58.100 0.167 0.000 1.475 198 Y CB -0.466 38.076 38.460 0.137 0.000 1.330 198 Y HN 0.087 nan 8.280 nan 0.000 0.661 199 L N 2.738 124.117 121.223 0.260 0.000 2.358 199 L HA 0.490 4.830 4.340 -0.000 0.000 0.268 199 L C -0.853 176.021 176.870 0.007 0.000 1.032 199 L CA -1.161 53.772 54.840 0.155 0.000 0.805 199 L CB 1.620 43.835 42.059 0.260 0.000 1.253 199 L HN 0.784 nan 8.230 nan 0.000 0.452 200 D N 1.066 121.445 120.400 -0.035 0.000 2.736 200 D HA 0.395 5.035 4.640 -0.000 0.000 0.223 200 D C -0.854 175.359 176.300 -0.144 0.000 1.231 200 D CA -0.329 53.598 54.000 -0.122 0.000 0.818 200 D CB 2.586 43.224 40.800 -0.270 0.000 1.587 200 D HN 0.249 nan 8.370 nan 0.000 0.463 201 I N 1.470 121.949 120.570 -0.152 0.000 2.312 201 I HA 0.161 4.331 4.170 -0.000 0.000 0.290 201 I C 0.091 176.137 176.117 -0.119 0.000 1.008 201 I CA -0.312 60.957 61.300 -0.051 0.000 1.226 201 I CB 1.412 39.501 38.000 0.149 0.000 1.371 201 I HN 0.367 nan 8.210 nan 0.000 0.468 202 T N 3.654 118.124 114.554 -0.140 0.000 2.753 202 T HA 0.449 4.799 4.350 -0.000 0.000 0.297 202 T C -0.452 174.391 174.700 0.238 0.000 0.981 202 T CA -0.546 61.502 62.100 -0.086 0.000 0.956 202 T CB 0.226 68.923 68.868 -0.284 0.000 0.936 202 T HN 0.249 nan 8.240 nan 0.000 0.463 203 Y N 1.786 122.147 120.300 0.102 0.000 2.301 203 Y HA 0.317 4.867 4.550 -0.000 0.000 0.325 203 Y C 1.226 177.381 175.900 0.425 0.000 1.203 203 Y CA -1.199 57.062 58.100 0.268 0.000 1.255 203 Y CB 1.066 39.911 38.460 0.642 0.000 1.232 203 Y HN 0.595 nan 8.280 nan 0.000 0.501 204 H N 3.237 122.536 119.070 0.381 0.000 2.924 204 H HA 0.214 4.770 4.556 -0.000 0.000 0.333 204 H C -1.595 174.054 175.328 0.536 0.000 0.979 204 H CA -0.752 55.538 56.048 0.403 0.000 1.326 204 H CB 1.181 31.074 29.762 0.218 0.000 1.600 204 H HN 0.513 nan 8.280 nan 0.000 0.520 205 F N 4.291 124.458 119.950 0.360 0.000 2.334 205 F HA 0.265 4.792 4.527 -0.000 0.000 0.367 205 F C 0.152 176.085 175.800 0.222 0.000 1.115 205 F CA -0.766 57.432 58.000 0.330 0.000 1.116 205 F CB 0.345 39.501 39.000 0.259 0.000 1.230 205 F HN 0.363 nan 8.300 nan 0.000 0.484 206 I N 6.453 127.213 120.570 0.318 0.000 2.310 206 I HA 0.316 4.486 4.170 -0.000 0.000 0.287 206 I C -0.198 176.000 176.117 0.134 0.000 1.073 206 I CA -0.186 61.238 61.300 0.205 0.000 1.216 206 I CB 0.090 38.187 38.000 0.162 0.000 1.415 206 I HN 0.337 nan 8.210 nan 0.000 0.480 207 M N 5.259 124.937 119.600 0.130 0.000 2.501 207 M HA 0.561 5.041 4.480 -0.000 0.000 0.293 207 M C -1.302 174.984 176.300 -0.023 0.000 1.192 207 M CA -0.798 54.547 55.300 0.076 0.000 0.886 207 M CB 1.988 34.705 32.600 0.196 0.000 1.710 207 M HN 0.576 nan 8.290 nan 0.000 0.457 208 Q N 1.877 121.683 119.800 0.010 0.000 2.245 208 Q HA 0.749 5.089 4.340 -0.000 0.000 0.256 208 Q C -1.069 174.975 176.000 0.075 0.000 0.942 208 Q CA -0.787 55.023 55.803 0.011 0.000 0.896 208 Q CB 2.857 31.640 28.738 0.074 0.000 1.272 208 Q HN 0.887 nan 8.270 nan 0.000 0.442 209 R N 1.908 122.411 120.500 0.006 0.000 2.596 209 R HA 0.627 4.967 4.340 -0.000 0.000 0.216 209 R C -0.652 175.644 176.300 -0.006 0.000 1.348 209 R CA -0.325 55.809 56.100 0.057 0.000 1.009 209 R CB 0.586 30.852 30.300 -0.058 0.000 1.947 209 R HN 0.832 nan 8.270 nan 0.000 0.526 210 I N -0.261 120.260 120.570 -0.082 0.000 7.754 210 I HA -0.155 4.015 4.170 -0.000 0.000 0.126 210 I C -2.388 173.871 176.117 0.238 0.000 1.845 210 I CA -0.534 60.779 61.300 0.022 0.000 2.038 210 I CB -0.995 36.910 38.000 -0.158 0.000 3.707 210 I HN 0.539 nan 8.210 nan 0.000 0.169 211 P HA 0.222 nan 4.420 nan 0.000 0.276 211 P C 1.013 178.493 177.300 0.300 0.000 1.230 211 P CA -0.278 63.013 63.100 0.318 0.000 0.776 211 P CB 1.047 32.983 31.700 0.393 0.000 0.888 212 L N 2.289 123.658 121.223 0.243 0.000 2.447 212 L HA -0.206 4.134 4.340 -0.000 0.000 0.225 212 L C 2.474 179.452 176.870 0.180 0.000 1.148 212 L CA 1.197 56.149 54.840 0.186 0.000 0.808 212 L CB -1.195 40.952 42.059 0.147 0.000 0.928 212 L HN 0.455 nan 8.230 nan 0.000 0.448 213 Y N -0.599 119.820 120.300 0.199 0.000 2.128 213 Y HA -0.333 4.217 4.550 -0.000 0.000 0.284 213 Y C 2.459 178.518 175.900 0.265 0.000 1.154 213 Y CA 1.176 59.389 58.100 0.190 0.000 1.149 213 Y CB -1.203 37.356 38.460 0.166 0.000 0.976 213 Y HN 0.045 nan 8.280 nan 0.000 0.505 214 F N 2.114 121.373 119.950 -1.152 0.000 2.063 214 F HA -0.283 4.244 4.527 -0.000 0.000 0.298 214 F C 2.185 177.863 175.800 -0.202 0.000 1.105 214 F CA 1.709 59.223 58.000 -0.810 0.000 1.215 214 F CB -1.191 37.434 39.000 -0.627 0.000 0.972 214 F HN 0.057 nan 8.300 nan 0.000 0.483 215 V N 0.401 120.181 119.914 -0.223 0.000 2.222 215 V HA -0.414 3.706 4.120 -0.000 0.000 0.252 215 V C 2.528 178.564 176.094 -0.096 0.000 1.060 215 V CA 2.345 64.518 62.300 -0.211 0.000 1.027 215 V CB -1.711 30.098 31.823 -0.023 0.000 0.644 215 V HN 0.327 nan 8.190 nan 0.000 0.448 216 V N 0.569 120.487 119.914 0.007 0.000 2.237 216 V HA -0.295 3.825 4.120 -0.000 0.000 0.245 216 V C 2.359 178.497 176.094 0.073 0.000 1.046 216 V CA 2.567 64.897 62.300 0.050 0.000 1.007 216 V CB -1.205 30.670 31.823 0.085 0.000 0.638 216 V HN 0.662 nan 8.190 nan 0.000 0.445 217 N N 0.179 118.951 118.700 0.119 0.000 2.037 217 N HA -0.211 4.529 4.740 -0.000 0.000 0.196 217 N C 1.759 177.351 175.510 0.137 0.000 1.034 217 N CA 2.054 55.194 53.050 0.150 0.000 0.861 217 N CB -0.499 38.116 38.487 0.214 0.000 1.039 217 N HN 0.226 nan 8.380 nan 0.000 0.427 218 V N 0.377 120.363 119.914 0.120 0.000 2.307 218 V HA -0.090 4.030 4.120 -0.000 0.000 0.245 218 V C 2.084 178.242 176.094 0.106 0.000 1.045 218 V CA 1.458 63.832 62.300 0.122 0.000 1.024 218 V CB -0.362 31.507 31.823 0.077 0.000 0.651 218 V HN 0.398 nan 8.190 nan 0.000 0.449 219 I N -0.320 120.280 120.570 0.050 0.000 2.756 219 I HA -0.176 3.994 4.170 -0.000 0.000 0.262 219 I C 2.016 178.179 176.117 0.077 0.000 1.225 219 I CA 1.347 62.690 61.300 0.071 0.000 1.472 219 I CB -0.105 37.918 38.000 0.038 0.000 1.094 219 I HN 0.337 nan 8.210 nan 0.000 0.454 220 I N 1.601 122.221 120.570 0.083 0.000 2.500 220 I HA -0.091 4.079 4.170 -0.000 0.000 0.252 220 I C -0.430 175.757 176.117 0.117 0.000 1.142 220 I CA 0.749 62.098 61.300 0.083 0.000 1.451 220 I CB -1.495 36.552 38.000 0.079 0.000 1.093 220 I HN 0.141 nan 8.210 nan 0.000 0.430 221 P HA -0.025 nan 4.420 nan 0.000 0.233 221 P C 1.495 178.958 177.300 0.271 0.000 1.167 221 P CA 1.007 64.236 63.100 0.216 0.000 0.770 221 P CB -0.011 31.827 31.700 0.230 0.000 0.837 222 C N -0.236 119.197 119.300 0.221 0.000 2.518 222 C HA 0.038 4.498 4.460 -0.000 0.000 0.279 222 C C 2.911 177.789 174.990 -0.188 0.000 1.279 222 C CA 0.413 59.546 59.018 0.192 0.000 1.703 222 C CB -1.571 26.291 27.740 0.205 0.000 2.072 222 C HN 0.160 nan 8.230 nan 0.000 0.487 223 L N 1.158 122.338 121.223 -0.073 0.000 2.275 223 L HA -0.106 4.234 4.340 -0.000 0.000 0.215 223 L C 2.471 179.327 176.870 -0.024 0.000 1.119 223 L CA 0.719 55.497 54.840 -0.102 0.000 0.790 223 L CB -0.774 41.258 42.059 -0.045 0.000 0.919 223 L HN 0.431 nan 8.230 nan 0.000 0.443 224 L N 0.555 121.818 121.223 0.067 0.000 1.943 224 L HA -0.243 4.097 4.340 -0.000 0.000 0.215 224 L C 2.540 179.536 176.870 0.210 0.000 1.074 224 L CA 2.153 57.099 54.840 0.177 0.000 0.759 224 L CB -1.258 40.933 42.059 0.221 0.000 0.888 224 L HN 0.244 nan 8.230 nan 0.000 0.433 225 F N 0.229 120.289 119.950 0.185 0.000 2.202 225 F HA -0.149 4.378 4.527 -0.000 0.000 0.301 225 F C 2.121 178.034 175.800 0.189 0.000 1.082 225 F CA 1.444 59.538 58.000 0.156 0.000 1.313 225 F CB -0.904 38.175 39.000 0.132 0.000 1.024 225 F HN 0.212 nan 8.300 nan 0.000 0.495 226 S N 1.099 116.432 115.700 -0.612 0.000 2.359 226 S HA -0.222 4.248 4.470 -0.000 0.000 0.223 226 S C 1.714 176.408 174.600 0.157 0.000 1.039 226 S CA 1.638 59.590 58.200 -0.413 0.000 1.042 226 S CB -0.904 62.100 63.200 -0.326 0.000 0.915 226 S HN 0.542 nan 8.310 nan 0.000 0.439 227 F N 2.004 121.978 119.950 0.040 0.000 2.186 227 F HA 0.061 4.588 4.527 -0.000 0.000 0.299 227 F C 1.876 177.787 175.800 0.185 0.000 1.090 227 F CA 0.672 58.758 58.000 0.144 0.000 1.307 227 F CB -0.744 38.323 39.000 0.113 0.000 1.019 227 F HN 0.121 nan 8.300 nan 0.000 0.489 228 L N -0.758 120.609 121.223 0.240 0.000 2.093 228 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 228 L C 2.159 179.122 176.870 0.156 0.000 1.085 228 L CA 1.843 56.737 54.840 0.091 0.000 0.755 228 L CB -0.976 41.141 42.059 0.097 0.000 0.904 228 L HN 0.101 nan 8.230 nan 0.000 0.435 229 T N -1.009 113.709 114.554 0.274 0.000 2.904 229 T HA -0.098 4.252 4.350 -0.000 0.000 0.267 229 T C 1.993 176.955 174.700 0.437 0.000 1.059 229 T CA 0.674 62.906 62.100 0.219 0.000 1.137 229 T CB -0.039 69.052 68.868 0.371 0.000 0.879 229 T HN 0.037 nan 8.240 nan 0.000 0.467 230 V N 1.567 121.809 119.914 0.547 0.000 2.407 230 V HA -0.103 4.017 4.120 -0.000 0.000 0.248 230 V C 2.364 178.831 176.094 0.621 0.000 1.055 230 V CA 1.480 64.111 62.300 0.552 0.000 1.049 230 V CB -0.516 31.794 31.823 0.810 0.000 0.662 230 V HN 0.463 nan 8.190 nan 0.000 0.455 231 L N -1.088 120.356 121.223 0.369 0.000 2.179 231 L HA -0.058 4.282 4.340 -0.000 0.000 0.208 231 L C 2.389 179.373 176.870 0.189 0.000 1.096 231 L CA 0.593 55.546 54.840 0.189 0.000 0.779 231 L CB -0.459 41.532 42.059 -0.113 0.000 0.922 231 L HN 0.158 nan 8.230 nan 0.000 0.443 232 V N -0.147 119.847 119.914 0.134 0.000 2.568 232 V HA -0.283 3.837 4.120 -0.000 0.000 0.253 232 V C 2.032 178.076 176.094 -0.083 0.000 1.072 232 V CA 1.935 64.233 62.300 -0.003 0.000 1.084 232 V CB -0.499 31.216 31.823 -0.181 0.000 0.676 232 V HN 0.261 nan 8.190 nan 0.000 0.469 233 F N -2.333 117.571 119.950 -0.077 0.000 2.222 233 F HA 0.097 4.624 4.527 -0.000 0.000 0.285 233 F C 2.100 177.816 175.800 -0.141 0.000 1.068 233 F CA 0.739 58.616 58.000 -0.204 0.000 1.265 233 F CB -1.014 37.742 39.000 -0.408 0.000 1.087 233 F HN 0.020 nan 8.300 nan 0.000 0.511 234 Y N 0.365 120.833 120.300 0.280 0.000 2.352 234 Y HA -0.115 4.435 4.550 -0.000 0.000 0.292 234 Y C 2.324 178.293 175.900 0.116 0.000 1.136 234 Y CA 0.724 58.941 58.100 0.196 0.000 1.227 234 Y CB -0.736 37.872 38.460 0.246 0.000 0.991 234 Y HN 0.037 nan 8.280 nan 0.000 0.545 235 L N 0.862 122.228 121.223 0.239 0.000 2.017 235 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 235 L C -0.466 176.480 176.870 0.128 0.000 1.073 235 L CA 1.500 56.433 54.840 0.156 0.000 0.745 235 L CB -1.208 40.925 42.059 0.123 0.000 0.894 235 L HN 0.053 nan 8.230 nan 0.000 0.432 236 P HA -0.169 nan 4.420 nan 0.000 0.215 236 P C 1.618 178.932 177.300 0.024 0.000 1.157 236 P CA 1.857 64.936 63.100 -0.034 0.000 0.859 236 P CB -0.190 31.221 31.700 -0.481 0.000 0.786 237 T N -1.621 112.944 114.554 0.019 0.000 2.995 237 T HA -0.066 4.284 4.350 -0.000 0.000 0.269 237 T C 1.425 176.177 174.700 0.087 0.000 1.091 237 T CA 1.251 63.377 62.100 0.044 0.000 1.128 237 T CB -0.705 68.191 68.868 0.047 0.000 0.891 237 T HN -0.122 nan 8.240 nan 0.000 0.492 238 D N 0.037 120.517 120.400 0.133 0.000 2.389 238 D HA 0.267 4.907 4.640 -0.000 0.000 0.206 238 D C -0.258 176.101 176.300 0.099 0.000 1.055 238 D CA 0.254 54.329 54.000 0.125 0.000 0.856 238 D CB 0.562 41.462 40.800 0.167 0.000 0.957 238 D HN 0.230 nan 8.370 nan 0.000 0.509 239 S N -1.181 114.587 115.700 0.114 0.000 2.333 239 S HA 0.379 4.849 4.470 -0.000 0.000 0.250 239 S C 0.445 175.160 174.600 0.190 0.000 0.959 239 S CA -0.341 57.936 58.200 0.129 0.000 1.037 239 S CB 0.566 63.833 63.200 0.111 0.000 1.215 239 S HN 0.053 nan 8.310 nan 0.000 0.410 240 G N 1.884 110.839 108.800 0.259 0.000 3.088 240 G HA2 0.078 4.038 3.960 -0.000 0.000 0.212 240 G HA3 0.078 4.038 3.960 -0.000 0.000 0.212 240 G C 0.812 175.974 174.900 0.437 0.000 1.173 240 G CA 0.101 45.489 45.100 0.480 0.000 0.779 240 G HN 0.702 nan 8.290 nan 0.000 0.540 241 E N 1.040 121.385 120.200 0.241 0.000 2.274 241 E HA -0.050 4.300 4.350 -0.000 0.000 0.194 241 E C 1.504 178.196 176.600 0.154 0.000 0.996 241 E CA 0.644 57.136 56.400 0.153 0.000 0.840 241 E CB 0.033 29.796 29.700 0.105 0.000 0.772 241 E HN 0.565 nan 8.360 nan 0.000 0.491 242 K N 0.855 121.364 120.400 0.180 0.000 3.084 242 K HA 0.130 4.450 4.320 -0.000 0.000 0.210 242 K C 1.352 178.038 176.600 0.145 0.000 1.137 242 K CA -0.265 56.102 56.287 0.132 0.000 1.010 242 K CB 0.419 32.972 32.500 0.089 0.000 0.806 242 K HN -0.015 nan 8.250 nan 0.000 0.460 243 M N -0.730 119.004 119.600 0.223 0.000 2.065 243 M HA -0.132 4.348 4.480 -0.000 0.000 0.259 243 M C 1.800 178.118 176.300 0.030 0.000 1.069 243 M CA 2.237 57.623 55.300 0.144 0.000 1.110 243 M CB -1.835 30.878 32.600 0.188 0.000 1.328 243 M HN 0.253 nan 8.290 nan 0.000 0.405 244 T N 1.098 115.696 114.554 0.075 0.000 2.746 244 T HA -0.094 4.256 4.350 -0.000 0.000 0.267 244 T C 1.951 176.653 174.700 0.004 0.000 1.039 244 T CA 1.456 63.574 62.100 0.030 0.000 1.142 244 T CB -0.299 68.584 68.868 0.025 0.000 0.866 244 T HN 0.328 nan 8.240 nan 0.000 0.444 245 L N 1.175 122.411 121.223 0.021 0.000 2.051 245 L HA -0.060 4.280 4.340 -0.000 0.000 0.214 245 L C 2.724 179.582 176.870 -0.019 0.000 1.076 245 L CA 2.172 57.017 54.840 0.009 0.000 0.758 245 L CB -1.137 40.938 42.059 0.028 0.000 0.890 245 L HN 0.241 nan 8.230 nan 0.000 0.433 246 S N -1.359 114.321 115.700 -0.033 0.000 2.453 246 S HA -0.052 4.418 4.470 -0.000 0.000 0.231 246 S C 1.926 176.450 174.600 -0.126 0.000 1.005 246 S CA 0.519 58.671 58.200 -0.081 0.000 0.949 246 S CB -0.412 62.733 63.200 -0.092 0.000 0.774 246 S HN 0.414 nan 8.310 nan 0.000 0.510 247 I N 2.584 123.089 120.570 -0.107 0.000 2.145 247 I HA -0.202 3.968 4.170 -0.000 0.000 0.244 247 I C 2.489 178.553 176.117 -0.088 0.000 1.075 247 I CA 2.241 63.487 61.300 -0.090 0.000 1.332 247 I CB -1.599 36.385 38.000 -0.027 0.000 1.033 247 I HN 0.478 nan 8.210 nan 0.000 0.410 248 S N -0.059 115.600 115.700 -0.067 0.000 2.359 248 S HA -0.203 4.267 4.470 -0.000 0.000 0.222 248 S C 2.199 176.734 174.600 -0.109 0.000 1.038 248 S CA 2.067 60.227 58.200 -0.067 0.000 1.051 248 S CB -1.423 61.753 63.200 -0.040 0.000 0.944 248 S HN 0.298 nan 8.310 nan 0.000 0.433 249 V N 1.910 121.753 119.914 -0.118 0.000 2.332 249 V HA -0.125 3.994 4.120 -0.000 0.000 0.248 249 V C 2.608 178.578 176.094 -0.208 0.000 1.055 249 V CA 2.023 64.222 62.300 -0.167 0.000 1.038 249 V CB -0.782 30.963 31.823 -0.130 0.000 0.651 249 V HN 0.522 nan 8.190 nan 0.000 0.450 250 L N -0.994 120.124 121.223 -0.176 0.000 2.079 250 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 250 L C 2.269 179.031 176.870 -0.180 0.000 1.081 250 L CA 1.600 56.330 54.840 -0.182 0.000 0.752 250 L CB -0.518 41.432 42.059 -0.182 0.000 0.896 250 L HN 0.309 nan 8.230 nan 0.000 0.433 251 L N -1.009 120.121 121.223 -0.156 0.000 2.023 251 L HA -0.162 4.178 4.340 -0.000 0.000 0.205 251 L C 2.864 179.624 176.870 -0.183 0.000 1.073 251 L CA 1.483 56.246 54.840 -0.129 0.000 0.745 251 L CB -0.844 41.167 42.059 -0.081 0.000 0.900 251 L HN 0.388 nan 8.230 nan 0.000 0.435 252 S N 1.158 116.698 115.700 -0.267 0.000 2.400 252 S HA -0.196 4.273 4.470 -0.000 0.000 0.232 252 S C 1.874 175.785 174.600 -1.148 0.000 1.025 252 S CA 1.606 59.488 58.200 -0.531 0.000 0.993 252 S CB -0.757 62.133 63.200 -0.516 0.000 0.808 252 S HN 0.442 nan 8.310 nan 0.000 0.478 253 L N -0.385 120.396 121.223 -0.736 0.000 2.168 253 L HA 0.339 4.678 4.340 -0.000 0.000 0.203 253 L C 2.341 179.065 176.870 -0.243 0.000 1.078 253 L CA 1.670 56.144 54.840 -0.610 0.000 0.780 253 L CB -1.600 40.253 42.059 -0.344 0.000 0.939 253 L HN 0.095 nan 8.230 nan 0.000 0.451 254 T N -0.390 114.047 114.554 -0.194 0.000 2.867 254 T HA -0.101 4.249 4.350 -0.000 0.000 0.268 254 T C 1.964 176.652 174.700 -0.019 0.000 1.057 254 T CA 1.510 63.541 62.100 -0.115 0.000 1.136 254 T CB -0.209 68.593 68.868 -0.110 0.000 0.874 254 T HN 0.192 nan 8.240 nan 0.000 0.466 255 V N 0.891 120.809 119.914 0.008 0.000 2.427 255 V HA -0.086 4.034 4.120 -0.000 0.000 0.248 255 V C 2.056 178.323 176.094 0.289 0.000 1.051 255 V CA 1.447 63.820 62.300 0.122 0.000 1.048 255 V CB -0.601 31.299 31.823 0.127 0.000 0.666 255 V HN 0.425 nan 8.190 nan 0.000 0.456 256 F N -0.425 119.523 119.950 -0.004 0.000 2.126 256 F HA -0.168 4.359 4.527 -0.000 0.000 0.299 256 F C 2.266 178.074 175.800 0.014 0.000 1.096 256 F CA 1.008 59.018 58.000 0.016 0.000 1.255 256 F CB -1.131 37.889 39.000 0.034 0.000 0.997 256 F HN 0.106 nan 8.300 nan 0.000 0.479 257 L N -0.700 120.636 121.223 0.188 0.000 2.201 257 L HA -0.176 4.164 4.340 -0.000 0.000 0.212 257 L C 2.332 179.240 176.870 0.064 0.000 1.105 257 L CA 1.018 55.908 54.840 0.083 0.000 0.775 257 L CB -0.724 41.319 42.059 -0.026 0.000 0.913 257 L HN 0.215 nan 8.230 nan 0.000 0.440 258 L N -0.940 120.322 121.223 0.064 0.000 2.044 258 L HA -0.142 4.198 4.340 -0.000 0.000 0.205 258 L C 2.458 179.354 176.870 0.044 0.000 1.075 258 L CA 0.746 55.611 54.840 0.041 0.000 0.747 258 L CB -0.622 41.459 42.059 0.037 0.000 0.903 258 L HN 0.059 nan 8.230 nan 0.000 0.435 259 V N -0.544 119.407 119.914 0.063 0.000 2.667 259 V HA -0.210 3.910 4.120 -0.000 0.000 0.252 259 V C 2.248 178.364 176.094 0.036 0.000 1.065 259 V CA 1.182 63.505 62.300 0.038 0.000 1.083 259 V CB -0.399 31.439 31.823 0.025 0.000 0.692 259 V HN 0.277 nan 8.190 nan 0.000 0.468 260 I N -0.176 120.430 120.570 0.060 0.000 2.493 260 I HA -0.118 4.052 4.170 -0.000 0.000 0.254 260 I C 2.168 178.319 176.117 0.056 0.000 1.160 260 I CA 1.116 62.459 61.300 0.071 0.000 1.445 260 I CB 0.020 38.087 38.000 0.111 0.000 1.086 260 I HN 0.065 nan 8.210 nan 0.000 0.433 261 V N 0.391 120.330 119.914 0.041 0.000 2.515 261 V HA -0.262 3.858 4.120 -0.000 0.000 0.250 261 V C 2.247 178.340 176.094 -0.001 0.000 1.058 261 V CA 1.903 64.215 62.300 0.019 0.000 1.064 261 V CB -0.612 31.217 31.823 0.011 0.000 0.675 261 V HN 0.472 nan 8.190 nan 0.000 0.461 262 E N -0.000 120.200 120.200 0.000 0.000 2.072 262 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 262 E C 2.199 178.787 176.600 -0.021 0.000 0.985 262 E CA 1.167 57.560 56.400 -0.013 0.000 0.801 262 E CB -0.150 29.545 29.700 -0.008 0.000 0.750 262 E HN 0.520 nan 8.360 nan 0.000 0.452 263 L N 0.909 122.127 121.223 -0.009 0.000 2.027 263 L HA -0.093 4.247 4.340 -0.000 0.000 0.206 263 L C 2.755 179.598 176.870 -0.044 0.000 1.074 263 L CA 1.063 55.894 54.840 -0.014 0.000 0.745 263 L CB -0.742 41.325 42.059 0.013 0.000 0.898 263 L HN 0.236 nan 8.230 nan 0.000 0.433 264 I N -2.124 118.427 120.570 -0.032 0.000 3.251 264 I HA 0.015 4.185 4.170 -0.000 0.000 0.277 264 I C -0.642 175.410 176.117 -0.107 0.000 1.268 264 I CA 0.119 61.373 61.300 -0.076 0.000 1.449 264 I CB -0.933 37.090 38.000 0.038 0.000 1.083 264 I HN 0.100 nan 8.210 nan 0.000 0.464 265 P HA 0.063 nan 4.420 nan 0.000 0.224 265 P C 1.595 178.826 177.300 -0.115 0.000 1.159 265 P CA 1.212 64.252 63.100 -0.100 0.000 0.824 265 P CB 0.279 31.936 31.700 -0.070 0.000 0.833 266 S N -0.562 115.079 115.700 -0.097 0.000 2.406 266 S HA -0.079 4.391 4.470 -0.000 0.000 0.228 266 S C 1.986 176.511 174.600 -0.126 0.000 1.020 266 S CA 1.596 59.739 58.200 -0.094 0.000 0.965 266 S CB -1.914 61.245 63.200 -0.068 0.000 0.798 266 S HN 0.102 nan 8.310 nan 0.000 0.488 267 T N 2.595 117.052 114.554 -0.160 0.000 2.708 267 T HA -0.111 4.239 4.350 -0.000 0.000 0.266 267 T C 2.204 176.744 174.700 -0.266 0.000 1.037 267 T CA 1.650 63.612 62.100 -0.231 0.000 1.146 267 T CB -0.717 67.928 68.868 -0.371 0.000 0.865 267 T HN 0.604 nan 8.240 nan 0.000 0.435 268 S N 0.981 116.527 115.700 -0.257 0.000 2.374 268 S HA -0.153 4.317 4.470 -0.000 0.000 0.227 268 S C 2.228 176.687 174.600 -0.235 0.000 1.037 268 S CA 1.935 59.968 58.200 -0.279 0.000 1.024 268 S CB -0.516 62.558 63.200 -0.209 0.000 0.861 268 S HN 0.367 nan 8.310 nan 0.000 0.456 269 S N 0.372 115.967 115.700 -0.173 0.000 2.496 269 S HA 0.387 4.857 4.470 -0.000 0.000 0.224 269 S C 1.954 176.474 174.600 -0.133 0.000 0.996 269 S CA 0.583 58.700 58.200 -0.139 0.000 0.927 269 S CB -0.202 62.935 63.200 -0.105 0.000 0.774 269 S HN 0.716 nan 8.310 nan 0.000 0.524 270 A N 1.030 123.763 122.820 -0.144 0.000 1.975 270 A HA 0.311 4.631 4.320 -0.000 0.000 0.215 270 A C 0.816 178.323 177.584 -0.129 0.000 1.170 270 A CA 0.644 52.611 52.037 -0.118 0.000 0.656 270 A CB 0.011 18.950 19.000 -0.103 0.000 0.821 270 A HN 0.507 nan 8.150 nan 0.000 0.449 271 V N -3.375 116.421 119.914 -0.195 0.000 2.711 271 V HA 0.540 4.660 4.120 -0.000 0.000 0.304 271 V C -3.304 172.588 176.094 -0.338 0.000 1.097 271 V CA -2.487 59.686 62.300 -0.212 0.000 0.906 271 V CB 2.208 33.938 31.823 -0.155 0.000 1.015 271 V HN 0.136 nan 8.190 nan 0.000 0.427 272 P HA 0.324 nan 4.420 nan 0.000 0.277 272 P C -0.429 176.713 177.300 -0.264 0.000 1.354 272 P CA -0.062 62.897 63.100 -0.235 0.000 0.891 272 P CB 0.881 32.495 31.700 -0.144 0.000 1.058 273 L N 4.191 125.105 121.223 -0.515 0.000 2.317 273 L HA 0.577 4.917 4.340 -0.000 0.000 0.281 273 L C 0.598 177.241 176.870 -0.379 0.000 1.024 273 L CA -1.622 52.837 54.840 -0.635 0.000 0.810 273 L CB 1.572 42.801 42.059 -1.384 0.000 1.240 273 L HN 0.225 nan 8.230 nan 0.000 0.427 274 I N 0.960 121.400 120.570 -0.217 0.000 2.845 274 I HA 0.100 4.270 4.170 -0.000 0.000 0.290 274 I C 1.417 177.565 176.117 0.051 0.000 1.202 274 I CA 0.353 61.672 61.300 0.032 0.000 1.406 274 I CB 0.662 38.814 38.000 0.254 0.000 1.383 274 I HN 0.926 nan 8.210 nan 0.000 0.549 275 G N 6.076 114.859 108.800 -0.028 0.000 2.606 275 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.223 275 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.223 275 G C 1.335 176.201 174.900 -0.057 0.000 1.106 275 G CA 1.043 46.105 45.100 -0.064 0.000 0.745 275 G HN 0.768 nan 8.290 nan 0.000 0.597 276 K N -0.365 120.056 120.400 0.036 0.000 2.520 276 K HA -0.002 4.318 4.320 -0.000 0.000 0.197 276 K C 1.719 178.246 176.600 -0.120 0.000 1.043 276 K CA 0.488 56.796 56.287 0.037 0.000 0.944 276 K CB -0.342 32.239 32.500 0.134 0.000 0.770 276 K HN 0.507 nan 8.250 nan 0.000 0.480 277 Y N -0.173 119.804 120.300 -0.539 0.000 2.243 277 Y HA 0.011 4.561 4.550 -0.000 0.000 0.293 277 Y C 2.211 177.088 175.900 -1.705 0.000 1.124 277 Y CA 0.901 58.075 58.100 -1.544 0.000 1.159 277 Y CB -0.086 38.020 38.460 -0.589 0.000 1.008 277 Y HN 0.005 nan 8.280 nan 0.000 0.527 278 M N -0.631 118.624 119.600 -0.575 0.000 2.108 278 M HA -0.230 4.250 4.480 -0.000 0.000 0.261 278 M C 1.980 178.051 176.300 -0.383 0.000 1.066 278 M CA 1.448 56.515 55.300 -0.388 0.000 1.107 278 M CB -0.635 31.834 32.600 -0.219 0.000 1.356 278 M HN 0.280 nan 8.290 nan 0.000 0.406 279 L N 0.194 121.222 121.223 -0.324 0.000 2.187 279 L HA -0.211 4.129 4.340 -0.000 0.000 0.213 279 L C 2.054 178.745 176.870 -0.298 0.000 1.100 279 L CA 1.651 56.370 54.840 -0.201 0.000 0.765 279 L CB -1.464 40.556 42.059 -0.065 0.000 0.904 279 L HN 0.304 nan 8.230 nan 0.000 0.437 280 F N -0.659 119.001 119.950 -0.483 0.000 2.025 280 F HA -0.351 4.176 4.527 -0.000 0.000 0.297 280 F C 2.723 177.526 175.800 -1.662 0.000 1.132 280 F CA 1.482 58.752 58.000 -1.216 0.000 1.191 280 F CB -1.166 37.491 39.000 -0.572 0.000 0.963 280 F HN 0.060 nan 8.300 nan 0.000 0.481 281 T N 0.120 114.370 114.554 -0.508 0.000 2.720 281 T HA -0.261 4.089 4.350 -0.000 0.000 0.268 281 T C 1.697 176.290 174.700 -0.177 0.000 1.037 281 T CA 1.571 63.544 62.100 -0.211 0.000 1.144 281 T CB -0.294 68.539 68.868 -0.058 0.000 0.864 281 T HN 0.047 nan 8.240 nan 0.000 0.444 282 M N 0.914 120.390 119.600 -0.207 0.000 3.903 282 M HA -0.107 4.373 4.480 -0.000 0.000 0.297 282 M C 2.036 178.316 176.300 -0.032 0.000 1.035 282 M CA 2.064 57.300 55.300 -0.106 0.000 1.052 282 M CB -0.773 31.764 32.600 -0.106 0.000 1.178 282 M HN 0.331 nan 8.290 nan 0.000 0.648 283 I N -0.959 119.606 120.570 -0.009 0.000 2.194 283 I HA -0.360 3.810 4.170 -0.000 0.000 0.246 283 I C 2.255 178.557 176.117 0.307 0.000 1.093 283 I CA 1.659 63.043 61.300 0.140 0.000 1.355 283 I CB -0.845 37.276 38.000 0.202 0.000 1.046 283 I HN 0.354 nan 8.210 nan 0.000 0.413 284 F N 0.491 120.510 119.950 0.115 0.000 2.015 284 F HA -0.319 4.208 4.527 -0.000 0.000 0.297 284 F C 2.842 178.729 175.800 0.145 0.000 1.141 284 F CA 1.286 59.376 58.000 0.150 0.000 1.192 284 F CB -0.955 38.155 39.000 0.184 0.000 0.957 284 F HN -0.079 nan 8.300 nan 0.000 0.491 285 V N 1.479 121.578 119.914 0.308 0.000 2.332 285 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 285 V C 1.908 178.035 176.094 0.056 0.000 1.055 285 V CA 1.909 64.288 62.300 0.131 0.000 1.038 285 V CB -0.430 31.436 31.823 0.072 0.000 0.651 285 V HN 0.293 nan 8.190 nan 0.000 0.450 286 I N -0.270 120.345 120.570 0.074 0.000 2.676 286 I HA -0.116 4.054 4.170 -0.000 0.000 0.259 286 I C 2.574 178.722 176.117 0.052 0.000 1.194 286 I CA 1.469 62.792 61.300 0.038 0.000 1.473 286 I CB -0.453 37.563 38.000 0.028 0.000 1.096 286 I HN 0.377 nan 8.210 nan 0.000 0.443 287 S N 0.208 115.973 115.700 0.108 0.000 2.406 287 S HA -0.166 4.304 4.470 -0.000 0.000 0.228 287 S C 2.245 176.893 174.600 0.081 0.000 1.020 287 S CA 1.582 59.846 58.200 0.106 0.000 0.965 287 S CB -0.208 63.085 63.200 0.155 0.000 0.798 287 S HN 0.436 nan 8.310 nan 0.000 0.488 288 S N 0.571 116.311 115.700 0.068 0.000 2.400 288 S HA -0.076 4.394 4.470 -0.000 0.000 0.232 288 S C 1.707 176.258 174.600 -0.083 0.000 1.025 288 S CA 1.214 59.389 58.200 -0.040 0.000 0.993 288 S CB -0.439 62.546 63.200 -0.358 0.000 0.808 288 S HN 0.479 nan 8.310 nan 0.000 0.478 289 I N 2.362 122.898 120.570 -0.057 0.000 2.188 289 I HA -0.035 4.135 4.170 -0.000 0.000 0.237 289 I C 2.292 178.384 176.117 -0.042 0.000 1.073 289 I CA 0.939 62.204 61.300 -0.058 0.000 1.359 289 I CB -1.386 36.589 38.000 -0.041 0.000 1.083 289 I HN 0.388 nan 8.210 nan 0.000 0.412 290 I N -0.341 120.221 120.570 -0.013 0.000 2.286 290 I HA -0.205 3.965 4.170 -0.000 0.000 0.248 290 I C 2.530 178.635 176.117 -0.020 0.000 1.115 290 I CA 0.963 62.257 61.300 -0.010 0.000 1.392 290 I CB -1.037 36.970 38.000 0.011 0.000 1.065 290 I HN -0.024 nan 8.210 nan 0.000 0.418 291 V N 2.004 121.911 119.914 -0.011 0.000 2.237 291 V HA -0.285 3.835 4.120 -0.000 0.000 0.245 291 V C 2.774 178.809 176.094 -0.099 0.000 1.046 291 V CA 2.782 65.064 62.300 -0.030 0.000 1.007 291 V CB -1.434 30.398 31.823 0.015 0.000 0.638 291 V HN 0.614 nan 8.190 nan 0.000 0.445 292 T N -0.551 113.933 114.554 -0.118 0.000 2.469 292 T HA -0.341 4.009 4.350 -0.000 0.000 0.254 292 T C 1.870 176.481 174.700 -0.148 0.000 1.214 292 T CA 1.969 63.973 62.100 -0.160 0.000 1.202 292 T CB -1.252 67.525 68.868 -0.151 0.000 0.864 292 T HN 0.188 nan 8.240 nan 0.000 0.408 293 V N 0.760 120.604 119.914 -0.116 0.000 2.280 293 V HA -0.231 3.889 4.120 -0.000 0.000 0.258 293 V C 2.646 178.687 176.094 -0.089 0.000 1.081 293 V CA 2.535 64.777 62.300 -0.096 0.000 1.070 293 V CB -0.766 31.020 31.823 -0.063 0.000 0.666 293 V HN 0.533 nan 8.190 nan 0.000 0.450 294 V N -1.220 118.650 119.914 -0.073 0.000 2.273 294 V HA -0.136 3.984 4.120 -0.000 0.000 0.242 294 V C 2.323 178.370 176.094 -0.079 0.000 1.035 294 V CA 2.141 64.406 62.300 -0.058 0.000 1.013 294 V CB 0.256 32.058 31.823 -0.034 0.000 0.652 294 V HN 0.403 nan 8.190 nan 0.000 0.452 295 V N 1.954 121.802 119.914 -0.110 0.000 2.250 295 V HA -0.293 3.827 4.120 -0.000 0.000 0.250 295 V C 2.356 178.391 176.094 -0.099 0.000 1.060 295 V CA 2.720 64.933 62.300 -0.143 0.000 1.030 295 V CB -0.899 30.756 31.823 -0.279 0.000 0.643 295 V HN 0.633 nan 8.190 nan 0.000 0.445 296 I N 0.782 121.250 120.570 -0.170 0.000 2.761 296 I HA -0.066 4.104 4.170 -0.000 0.000 0.261 296 I C 2.226 178.085 176.117 -0.430 0.000 1.198 296 I CA 1.872 62.972 61.300 -0.334 0.000 1.482 296 I CB -1.725 35.958 38.000 -0.528 0.000 1.100 296 I HN 0.472 nan 8.210 nan 0.000 0.445 297 N N 1.755 120.333 118.700 -0.203 0.000 2.216 297 N HA -0.150 4.590 4.740 -0.000 0.000 0.183 297 N C 1.673 177.191 175.510 0.012 0.000 1.017 297 N CA 2.118 55.127 53.050 -0.068 0.000 0.861 297 N CB -0.369 38.101 38.487 -0.027 0.000 0.986 297 N HN 0.188 nan 8.380 nan 0.000 0.428 298 T N -0.201 114.343 114.554 -0.016 0.000 2.857 298 T HA -0.093 4.257 4.350 -0.000 0.000 0.266 298 T C 1.429 176.154 174.700 0.042 0.000 1.048 298 T CA 0.746 62.853 62.100 0.012 0.000 1.139 298 T CB -0.528 68.329 68.868 -0.019 0.000 0.874 298 T HN 0.357 nan 8.240 nan 0.000 0.455 299 H N 0.984 119.971 119.070 -0.138 0.000 2.289 299 H HA -0.141 4.415 4.556 -0.000 0.000 0.294 299 H C 2.128 177.412 175.328 -0.073 0.000 1.095 299 H CA 2.125 58.065 56.048 -0.181 0.000 1.256 299 H CB -0.328 29.235 29.762 -0.333 0.000 1.359 299 H HN 0.623 nan 8.280 nan 0.000 0.487 300 H N 0.142 119.233 119.070 0.036 0.000 2.395 300 H HA -0.060 4.496 4.556 -0.000 0.000 0.299 300 H C 2.062 177.424 175.328 0.056 0.000 1.070 300 H CA 0.515 56.572 56.048 0.015 0.000 1.356 300 H CB 0.070 29.823 29.762 -0.014 0.000 1.401 300 H HN 0.330 nan 8.280 nan 0.000 0.524 301 R N 1.704 122.305 120.500 0.170 0.000 2.556 301 R HA -0.088 4.252 4.340 -0.000 0.000 0.237 301 R C -0.581 175.783 176.300 0.108 0.000 1.224 301 R CA 0.556 56.722 56.100 0.109 0.000 1.186 301 R CB -0.352 29.990 30.300 0.070 0.000 0.777 301 R HN -0.019 nan 8.270 nan 0.000 0.509 302 S N 0.580 116.362 115.700 0.136 0.000 2.473 302 S HA 0.300 4.770 4.470 -0.000 0.000 0.307 302 S C -1.784 172.864 174.600 0.080 0.000 1.094 302 S CA -1.646 56.628 58.200 0.123 0.000 1.070 302 S CB 2.222 65.532 63.200 0.182 0.000 1.019 302 S HN -0.038 nan 8.310 nan 0.000 0.480 303 P HA -0.214 nan 4.420 nan 0.000 0.221 303 P C 0.761 178.066 177.300 0.008 0.000 1.107 303 P CA 1.815 64.935 63.100 0.034 0.000 0.986 303 P CB 0.215 31.939 31.700 0.041 0.000 0.774 304 S N -3.999 111.694 115.700 -0.012 0.000 2.589 304 S HA 0.039 4.508 4.470 -0.000 0.000 0.235 304 S C 1.475 176.010 174.600 -0.109 0.000 1.051 304 S CA 0.616 58.783 58.200 -0.054 0.000 0.978 304 S CB -0.261 62.899 63.200 -0.066 0.000 0.929 304 S HN 0.268 nan 8.310 nan 0.000 0.523 305 T N 1.320 115.792 114.554 -0.136 0.000 2.985 305 T HA 0.142 4.492 4.350 -0.000 0.000 0.266 305 T C 0.439 175.006 174.700 -0.222 0.000 1.076 305 T CA 1.030 62.931 62.100 -0.332 0.000 1.135 305 T CB -0.544 68.004 68.868 -0.533 0.000 0.890 305 T HN 0.843 nan 8.240 nan 0.000 0.480 375 A N 0.784 123.558 122.820 -0.076 0.000 1.929 375 A HA 0.157 4.477 4.320 -0.000 0.000 0.216 375 A C 1.897 179.436 177.584 -0.075 0.000 1.176 375 A CA 1.527 53.520 52.037 -0.072 0.000 0.628 375 A CB -0.682 18.290 19.000 -0.046 0.000 0.816 375 A HN 0.421 nan 8.150 nan 0.000 0.444 376 I N 0.153 120.686 120.570 -0.062 0.000 2.286 376 I HA -0.230 3.940 4.170 -0.000 0.000 0.248 376 I C 2.268 178.345 176.117 -0.068 0.000 1.115 376 I CA 1.649 62.921 61.300 -0.046 0.000 1.392 376 I CB -0.190 37.792 38.000 -0.030 0.000 1.065 376 I HN 0.422 nan 8.210 nan 0.000 0.418 377 E N -0.320 119.803 120.200 -0.127 0.000 2.072 377 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 377 E C 2.287 178.645 176.600 -0.404 0.000 0.985 377 E CA 1.121 57.376 56.400 -0.242 0.000 0.801 377 E CB -0.517 28.976 29.700 -0.346 0.000 0.750 377 E HN 0.597 nan 8.360 nan 0.000 0.452 378 G N 0.717 109.325 108.800 -0.320 0.000 2.422 378 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 378 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 378 G C 1.725 176.592 174.900 -0.054 0.000 1.146 378 G CA 0.764 45.721 45.100 -0.238 0.000 0.769 378 G HN 0.130 nan 8.290 nan 0.000 0.547 379 V N 1.146 121.039 119.914 -0.036 0.000 2.282 379 V HA -0.279 3.841 4.120 -0.000 0.000 0.249 379 V C 2.824 178.963 176.094 0.075 0.000 1.057 379 V CA 2.540 64.847 62.300 0.013 0.000 1.032 379 V CB -0.461 31.366 31.823 0.005 0.000 0.645 379 V HN 0.464 nan 8.190 nan 0.000 0.447 380 K N -1.177 119.293 120.400 0.117 0.000 2.209 380 K HA -0.146 4.174 4.320 -0.000 0.000 0.204 380 K C 1.981 178.826 176.600 0.408 0.000 1.048 380 K CA 1.737 58.167 56.287 0.239 0.000 0.940 380 K CB -0.281 32.394 32.500 0.291 0.000 0.729 380 K HN 0.598 nan 8.250 nan 0.000 0.451 381 Y N 0.688 121.003 120.300 0.026 0.000 2.503 381 Y HA 0.078 4.628 4.550 -0.000 0.000 0.278 381 Y C 2.085 178.025 175.900 0.067 0.000 1.111 381 Y CA -0.228 57.902 58.100 0.049 0.000 1.270 381 Y CB -0.011 38.477 38.460 0.045 0.000 1.063 381 Y HN -0.023 nan 8.280 nan 0.000 0.548 382 I N -1.432 119.240 120.570 0.170 0.000 2.617 382 I HA -0.052 4.118 4.170 -0.000 0.000 0.256 382 I C 2.363 178.509 176.117 0.048 0.000 1.167 382 I CA 1.041 62.365 61.300 0.040 0.000 1.469 382 I CB -0.585 37.405 38.000 -0.017 0.000 1.098 382 I HN 0.038 nan 8.210 nan 0.000 0.436 383 A N 1.114 123.984 122.820 0.084 0.000 1.903 383 A HA -0.101 4.218 4.320 -0.000 0.000 0.213 383 A C 2.227 179.859 177.584 0.079 0.000 1.185 383 A CA 1.185 53.261 52.037 0.066 0.000 0.628 383 A CB -0.383 18.652 19.000 0.058 0.000 0.830 383 A HN 0.341 nan 8.150 nan 0.000 0.446 384 E N -0.552 119.704 120.200 0.094 0.000 2.150 384 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 384 E C 1.863 178.508 176.600 0.074 0.000 0.985 384 E CA 1.188 57.614 56.400 0.043 0.000 0.814 384 E CB -0.383 29.295 29.700 -0.037 0.000 0.752 384 E HN 0.710 nan 8.360 nan 0.000 0.466 385 H N -0.245 118.827 119.070 0.003 0.000 2.423 385 H HA -0.054 4.502 4.556 -0.000 0.000 0.297 385 H C 1.434 176.761 175.328 -0.001 0.000 1.075 385 H CA 1.423 57.473 56.048 0.003 0.000 1.342 385 H CB 0.114 29.895 29.762 0.030 0.000 1.395 385 H HN 0.138 nan 8.280 nan 0.000 0.530 386 M N 1.196 120.957 119.600 0.268 0.000 2.132 386 M HA -0.091 4.389 4.480 -0.000 0.000 0.263 386 M C 2.144 178.496 176.300 0.087 0.000 1.065 386 M CA 1.287 56.689 55.300 0.170 0.000 1.122 386 M CB -0.672 31.973 32.600 0.076 0.000 1.365 386 M HN 0.336 nan 8.290 nan 0.000 0.411 387 K N 0.118 120.550 120.400 0.052 0.000 2.155 387 K HA -0.015 4.305 4.320 -0.000 0.000 0.203 387 K C 2.047 178.641 176.600 -0.011 0.000 1.052 387 K CA 1.777 58.072 56.287 0.012 0.000 0.948 387 K CB -0.663 31.838 32.500 0.003 0.000 0.728 387 K HN 0.396 nan 8.250 nan 0.000 0.448 388 S N 1.457 117.144 115.700 -0.021 0.000 2.371 388 S HA -0.131 4.339 4.470 -0.000 0.000 0.224 388 S C 1.781 176.337 174.600 -0.073 0.000 1.029 388 S CA 1.092 59.254 58.200 -0.064 0.000 0.978 388 S CB -0.190 62.947 63.200 -0.104 0.000 0.833 388 S HN 0.152 nan 8.310 nan 0.000 0.466 389 D N 2.074 122.435 120.400 -0.065 0.000 2.277 389 D HA -0.034 4.606 4.640 -0.000 0.000 0.208 389 D C 1.901 178.184 176.300 -0.029 0.000 0.962 389 D CA 1.155 55.122 54.000 -0.055 0.000 0.865 389 D CB -0.046 40.728 40.800 -0.043 0.000 0.939 389 D HN 0.796 nan 8.370 nan 0.000 0.510 390 E N 0.940 121.130 120.200 -0.016 0.000 2.347 390 E HA -0.125 4.225 4.350 -0.000 0.000 0.196 390 E C 1.740 178.310 176.600 -0.050 0.000 1.008 390 E CA 0.755 57.139 56.400 -0.026 0.000 0.852 390 E CB -0.414 29.277 29.700 -0.015 0.000 0.783 390 E HN 0.284 nan 8.360 nan 0.000 0.505 391 E N 0.957 121.125 120.200 -0.054 0.000 2.031 391 E HA -0.280 4.070 4.350 -0.000 0.000 0.193 391 E C 1.937 178.478 176.600 -0.097 0.000 0.994 391 E CA 1.569 57.926 56.400 -0.072 0.000 0.800 391 E CB -0.301 29.359 29.700 -0.066 0.000 0.752 391 E HN 0.312 nan 8.360 nan 0.000 0.447 392 S N 0.535 116.185 115.700 -0.083 0.000 2.369 392 S HA -0.272 4.197 4.470 -0.000 0.000 0.225 392 S C 2.270 176.805 174.600 -0.107 0.000 1.043 392 S CA 3.016 61.166 58.200 -0.083 0.000 1.074 392 S CB -0.781 62.391 63.200 -0.047 0.000 0.962 392 S HN 0.537 nan 8.310 nan 0.000 0.433 393 S N 3.405 119.060 115.700 -0.076 0.000 2.372 393 S HA -0.304 4.166 4.470 -0.000 0.000 0.227 393 S C 1.729 176.263 174.600 -0.109 0.000 1.044 393 S CA 2.019 60.178 58.200 -0.070 0.000 1.050 393 S CB -1.702 61.469 63.200 -0.047 0.000 0.901 393 S HN 0.897 nan 8.310 nan 0.000 0.447 394 N N 3.996 122.622 118.700 -0.123 0.000 2.061 394 N HA -0.098 4.642 4.740 -0.000 0.000 0.193 394 N C 1.756 177.131 175.510 -0.225 0.000 1.030 394 N CA 1.883 54.846 53.050 -0.145 0.000 0.856 394 N CB -1.219 37.191 38.487 -0.129 0.000 1.023 394 N HN 0.614 nan 8.380 nan 0.000 0.424 395 A N 0.321 122.938 122.820 -0.339 0.000 1.972 395 A HA 0.192 4.512 4.320 -0.000 0.000 0.219 395 A C 2.419 179.561 177.584 -0.735 0.000 1.169 395 A CA 1.871 53.495 52.037 -0.688 0.000 0.635 395 A CB -1.165 17.363 19.000 -0.787 0.000 0.810 395 A HN 0.586 nan 8.150 nan 0.000 0.446 396 A N 0.013 122.633 122.820 -0.333 0.000 1.841 396 A HA -0.215 4.105 4.320 -0.000 0.000 0.216 396 A C 1.907 179.505 177.584 0.023 0.000 1.199 396 A CA 1.740 53.738 52.037 -0.066 0.000 0.621 396 A CB -0.718 18.281 19.000 -0.001 0.000 0.835 396 A HN 0.584 nan 8.150 nan 0.000 0.445 397 E N -0.344 119.831 120.200 -0.042 0.000 2.209 397 E HA -0.200 4.150 4.350 -0.000 0.000 0.196 397 E C 1.945 178.554 176.600 0.015 0.000 0.993 397 E CA 1.342 57.721 56.400 -0.036 0.000 0.819 397 E CB -0.133 29.498 29.700 -0.115 0.000 0.745 397 E HN 0.755 nan 8.360 nan 0.000 0.477 398 E N -0.408 119.810 120.200 0.030 0.000 2.216 398 E HA -0.123 4.227 4.350 -0.000 0.000 0.192 398 E C 1.420 178.297 176.600 0.461 0.000 0.988 398 E CA 0.409 56.992 56.400 0.304 0.000 0.834 398 E CB -0.120 29.657 29.700 0.128 0.000 0.772 398 E HN 0.457 nan 8.360 nan 0.000 0.479 399 W N 1.543 122.914 121.300 0.118 0.000 2.848 399 W HA -0.036 4.624 4.660 -0.000 0.000 0.241 399 W C 1.871 178.443 176.519 0.089 0.000 1.289 399 W CA -0.110 57.283 57.345 0.080 0.000 1.396 399 W CB 0.278 29.765 29.460 0.045 0.000 1.138 399 W HN 0.054 nan 8.180 nan 0.000 0.677 400 K N -0.140 120.476 120.400 0.360 0.000 2.108 400 K HA -0.085 4.235 4.320 -0.000 0.000 0.204 400 K C 0.403 177.181 176.600 0.297 0.000 1.036 400 K CA 0.601 57.034 56.287 0.244 0.000 0.965 400 K CB -0.494 32.090 32.500 0.139 0.000 0.804 400 K HN -0.088 nan 8.250 nan 0.000 0.454 401 Y N 1.936 122.304 120.300 0.114 0.000 2.650 401 Y HA 0.395 4.945 4.550 -0.000 0.000 0.343 401 Y C -0.392 175.579 175.900 0.117 0.000 1.078 401 Y CA -1.970 56.202 58.100 0.118 0.000 1.356 401 Y CB -0.800 37.721 38.460 0.102 0.000 1.204 401 Y HN -0.302 nan 8.280 nan 0.000 0.508 402 V N 1.994 121.993 119.914 0.142 0.000 3.036 402 V HA 0.691 4.811 4.120 -0.000 0.000 0.308 402 V C 0.952 177.013 176.094 -0.056 0.000 1.070 402 V CA -0.199 62.116 62.300 0.025 0.000 1.056 402 V CB 1.175 33.012 31.823 0.024 0.000 1.084 402 V HN 0.792 nan 8.190 nan 0.000 0.471 403 A N 1.901 124.679 122.820 -0.069 0.000 2.470 403 A HA 0.274 4.594 4.320 -0.000 0.000 0.251 403 A C 1.529 179.107 177.584 -0.010 0.000 1.245 403 A CA 0.368 52.373 52.037 -0.054 0.000 0.932 403 A CB -0.176 18.783 19.000 -0.069 0.000 1.037 403 A HN 0.924 nan 8.150 nan 0.000 0.522 404 M N -1.157 118.432 119.600 -0.018 0.000 2.248 404 M HA 0.081 4.561 4.480 -0.000 0.000 0.265 404 M C 1.630 177.915 176.300 -0.026 0.000 1.079 404 M CA 2.094 57.402 55.300 0.013 0.000 1.150 404 M CB -0.575 32.029 32.600 0.006 0.000 1.366 404 M HN 0.302 nan 8.290 nan 0.000 0.433 405 V N -0.351 119.426 119.914 -0.230 0.000 3.590 405 V HA 0.075 4.195 4.120 -0.000 0.000 0.265 405 V C 1.965 177.979 176.094 -0.134 0.000 1.239 405 V CA 0.264 62.262 62.300 -0.504 0.000 1.117 405 V CB -0.521 30.915 31.823 -0.645 0.000 0.818 405 V HN 0.419 nan 8.190 nan 0.000 0.451 406 I N 1.315 121.848 120.570 -0.061 0.000 2.756 406 I HA -0.051 4.119 4.170 -0.000 0.000 0.262 406 I C 1.935 178.055 176.117 0.006 0.000 1.225 406 I CA 1.159 62.435 61.300 -0.040 0.000 1.472 406 I CB -1.363 36.606 38.000 -0.052 0.000 1.094 406 I HN 0.340 nan 8.210 nan 0.000 0.454 407 D N -0.089 120.349 120.400 0.065 0.000 2.162 407 D HA -0.122 4.517 4.640 -0.000 0.000 0.203 407 D C 2.115 178.503 176.300 0.146 0.000 0.967 407 D CA 1.073 55.131 54.000 0.097 0.000 0.840 407 D CB -0.152 40.729 40.800 0.136 0.000 0.972 407 D HN 0.305 nan 8.370 nan 0.000 0.482 408 H N 0.537 119.604 119.070 -0.005 0.000 2.290 408 H HA -0.050 4.506 4.556 -0.000 0.000 0.298 408 H C 2.173 177.505 175.328 0.006 0.000 1.087 408 H CA 1.123 57.171 56.048 0.001 0.000 1.291 408 H CB -0.686 29.077 29.762 0.002 0.000 1.369 408 H HN 0.217 nan 8.280 nan 0.000 0.492 409 I N -0.573 120.080 120.570 0.137 0.000 2.361 409 I HA -0.191 3.979 4.170 -0.000 0.000 0.251 409 I C 2.333 178.520 176.117 0.116 0.000 1.133 409 I CA 0.793 62.154 61.300 0.103 0.000 1.413 409 I CB -0.445 37.586 38.000 0.051 0.000 1.073 409 I HN 0.147 nan 8.210 nan 0.000 0.424 410 L N 1.433 122.683 121.223 0.045 0.000 1.976 410 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 410 L C 2.330 179.181 176.870 -0.033 0.000 1.071 410 L CA 2.172 56.957 54.840 -0.092 0.000 0.746 410 L CB -0.673 41.254 42.059 -0.219 0.000 0.890 410 L HN 0.334 nan 8.230 nan 0.000 0.432 411 L N -1.617 119.623 121.223 0.027 0.000 2.270 411 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 411 L C 2.723 179.620 176.870 0.045 0.000 1.104 411 L CA 0.374 55.243 54.840 0.049 0.000 0.804 411 L CB -0.429 41.638 42.059 0.015 0.000 0.937 411 L HN 0.356 nan 8.230 nan 0.000 0.450 412 C N -0.202 119.130 119.300 0.054 0.000 2.386 412 C HA -0.180 4.280 4.460 -0.000 0.000 0.279 412 C C 2.750 177.777 174.990 0.062 0.000 1.208 412 C CA 0.981 60.036 59.018 0.062 0.000 1.747 412 C CB -0.561 27.232 27.740 0.088 0.000 2.046 412 C HN 0.349 nan 8.230 nan 0.000 0.453 413 V N -0.975 118.983 119.914 0.074 0.000 2.725 413 V HA -0.048 4.072 4.120 -0.000 0.000 0.247 413 V C 2.058 178.146 176.094 -0.009 0.000 1.058 413 V CA 1.256 63.606 62.300 0.083 0.000 1.080 413 V CB -0.775 31.223 31.823 0.291 0.000 0.713 413 V HN 0.354 nan 8.190 nan 0.000 0.465 414 F N -0.093 119.708 119.950 -0.247 0.000 2.202 414 F HA -0.183 4.344 4.527 -0.000 0.000 0.301 414 F C 2.252 177.962 175.800 -0.151 0.000 1.082 414 F CA 1.676 59.490 58.000 -0.310 0.000 1.313 414 F CB -0.412 38.376 39.000 -0.354 0.000 1.024 414 F HN 0.132 nan 8.300 nan 0.000 0.495 415 M N -1.187 118.470 119.600 0.096 0.000 2.254 415 M HA -0.084 4.396 4.480 -0.000 0.000 0.265 415 M C 2.052 178.376 176.300 0.039 0.000 1.066 415 M CA 0.981 56.305 55.300 0.040 0.000 1.123 415 M CB -0.638 31.975 32.600 0.022 0.000 1.388 415 M HN 0.128 nan 8.290 nan 0.000 0.425 416 L N -0.129 121.123 121.223 0.049 0.000 2.046 416 L HA -0.146 4.193 4.340 -0.000 0.000 0.208 416 L C 1.969 178.867 176.870 0.047 0.000 1.077 416 L CA 1.902 56.772 54.840 0.049 0.000 0.747 416 L CB -0.436 41.663 42.059 0.068 0.000 0.896 416 L HN 0.315 nan 8.230 nan 0.000 0.432 417 I N -2.155 118.451 120.570 0.059 0.000 2.353 417 I HA -0.255 3.915 4.170 -0.000 0.000 0.248 417 I C 2.316 178.450 176.117 0.028 0.000 1.119 417 I CA 0.704 62.038 61.300 0.056 0.000 1.417 417 I CB -0.597 37.449 38.000 0.075 0.000 1.078 417 I HN 0.253 nan 8.210 nan 0.000 0.421 418 C N 0.247 119.570 119.300 0.038 0.000 2.481 418 C HA 0.041 4.500 4.460 -0.000 0.000 0.275 418 C C 2.486 177.470 174.990 -0.010 0.000 1.419 418 C CA 0.142 59.160 59.018 -0.001 0.000 1.773 418 C CB -0.653 27.077 27.740 -0.017 0.000 1.862 418 C HN 0.449 nan 8.230 nan 0.000 0.530 419 I N 1.697 122.268 120.570 0.002 0.000 2.490 419 I HA -0.016 4.154 4.170 -0.000 0.000 0.234 419 I C 2.410 178.517 176.117 -0.017 0.000 1.066 419 I CA 1.507 62.808 61.300 0.001 0.000 1.405 419 I CB -1.054 36.953 38.000 0.012 0.000 1.191 419 I HN 0.318 nan 8.210 nan 0.000 0.433 420 I N 0.207 120.768 120.570 -0.016 0.000 2.113 420 I HA -0.237 3.933 4.170 -0.000 0.000 0.242 420 I C 2.416 178.441 176.117 -0.152 0.000 1.057 420 I CA 2.240 63.510 61.300 -0.051 0.000 1.314 420 I CB -1.676 36.319 38.000 -0.008 0.000 1.022 420 I HN 0.251 nan 8.210 nan 0.000 0.408 421 G N 0.473 109.198 108.800 -0.126 0.000 2.459 421 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 421 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 421 G C 1.540 176.353 174.900 -0.144 0.000 1.183 421 G CA 1.606 46.603 45.100 -0.171 0.000 0.776 421 G HN 0.483 nan 8.290 nan 0.000 0.552 422 T N 0.517 115.028 114.554 -0.071 0.000 3.007 422 T HA 0.016 4.366 4.350 -0.000 0.000 0.270 422 T C 2.394 177.108 174.700 0.023 0.000 1.107 422 T CA 0.896 62.978 62.100 -0.030 0.000 1.118 422 T CB 0.056 68.916 68.868 -0.012 0.000 0.889 422 T HN 0.099 nan 8.240 nan 0.000 0.506 423 V N 0.902 120.810 119.914 -0.011 0.000 2.725 423 V HA -0.031 4.089 4.120 -0.000 0.000 0.247 423 V C 2.472 178.567 176.094 0.002 0.000 1.058 423 V CA 1.143 63.458 62.300 0.026 0.000 1.080 423 V CB -0.363 31.433 31.823 -0.045 0.000 0.713 423 V HN 0.384 nan 8.190 nan 0.000 0.465 424 S N -0.180 115.405 115.700 -0.192 0.000 2.428 424 S HA -0.104 4.366 4.470 -0.000 0.000 0.230 424 S C 1.923 176.458 174.600 -0.109 0.000 1.014 424 S CA 1.159 59.139 58.200 -0.367 0.000 0.957 424 S CB 0.124 62.497 63.200 -1.379 0.000 0.784 424 S HN 0.352 nan 8.310 nan 0.000 0.499 425 V N 1.417 121.283 119.914 -0.080 0.000 2.591 425 V HA -0.014 4.106 4.120 -0.000 0.000 0.249 425 V C 1.552 177.672 176.094 0.044 0.000 1.053 425 V CA 0.978 63.259 62.300 -0.032 0.000 1.068 425 V CB -0.502 31.293 31.823 -0.047 0.000 0.689 425 V HN 0.538 nan 8.190 nan 0.000 0.462 426 F N 1.659 121.561 119.950 -0.081 0.000 2.034 426 F HA -0.330 4.196 4.527 -0.000 0.000 0.298 426 F C 2.313 178.075 175.800 -0.064 0.000 1.193 426 F CA 2.711 60.677 58.000 -0.057 0.000 1.208 426 F CB -0.700 38.279 39.000 -0.034 0.000 0.945 426 F HN 0.152 nan 8.300 nan 0.000 0.521 427 A N 0.274 123.540 122.820 0.743 0.000 2.076 427 A HA -0.062 4.258 4.320 -0.000 0.000 0.220 427 A C 2.274 179.866 177.584 0.014 0.000 1.160 427 A CA 1.638 53.900 52.037 0.375 0.000 0.653 427 A CB -1.883 17.233 19.000 0.192 0.000 0.801 427 A HN 0.712 nan 8.150 nan 0.000 0.455 428 G N -0.315 108.459 108.800 -0.044 0.000 2.484 428 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.215 428 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.215 428 G C 1.680 176.550 174.900 -0.050 0.000 1.219 428 G CA 0.743 45.781 45.100 -0.103 0.000 0.791 428 G HN 0.410 nan 8.290 nan 0.000 0.550 429 R N 0.145 120.609 120.500 -0.061 0.000 2.083 429 R HA 0.023 4.363 4.340 -0.000 0.000 0.237 429 R C 2.536 178.762 176.300 -0.123 0.000 1.137 429 R CA 0.684 56.726 56.100 -0.097 0.000 0.951 429 R CB -1.455 28.773 30.300 -0.119 0.000 0.851 429 R HN 0.424 nan 8.270 nan 0.000 0.434 430 L N 0.568 121.696 121.223 -0.159 0.000 1.944 430 L HA -0.213 4.127 4.340 -0.000 0.000 0.218 430 L C 1.738 178.562 176.870 -0.076 0.000 1.075 430 L CA 1.744 56.483 54.840 -0.167 0.000 0.767 430 L CB -0.286 41.658 42.059 -0.193 0.000 0.890 430 L HN 0.076 nan 8.230 nan 0.000 0.434 431 I N 0.160 120.718 120.570 -0.021 0.000 3.334 431 I HA -0.143 4.027 4.170 -0.000 0.000 0.282 431 I C 1.928 178.038 176.117 -0.011 0.000 1.313 431 I CA 0.742 62.050 61.300 0.013 0.000 1.396 431 I CB -0.574 37.465 38.000 0.065 0.000 1.054 431 I HN 0.308 nan 8.210 nan 0.000 0.495 432 E N 0.227 120.388 120.200 -0.064 0.000 2.447 432 E HA -0.033 4.317 4.350 -0.000 0.000 0.195 432 E C 1.836 178.355 176.600 -0.136 0.000 1.028 432 E CA 0.348 56.655 56.400 -0.155 0.000 0.876 432 E CB -0.005 29.598 29.700 -0.161 0.000 0.885 432 E HN 0.312 nan 8.360 nan 0.000 0.500 433 L N -0.689 120.473 121.223 -0.101 0.000 2.509 433 L HA 0.264 4.604 4.340 -0.000 0.000 0.222 433 L C 1.684 178.512 176.870 -0.070 0.000 1.123 433 L CA 1.067 55.852 54.840 -0.091 0.000 0.856 433 L CB -0.189 41.812 42.059 -0.096 0.000 0.985 433 L HN 0.022 nan 8.230 nan 0.000 0.456 434 S N -1.590 114.076 115.700 -0.056 0.000 2.510 434 S HA -0.016 4.454 4.470 -0.000 0.000 0.230 434 S C 1.689 176.268 174.600 -0.035 0.000 1.066 434 S CA 0.482 58.665 58.200 -0.029 0.000 0.941 434 S CB 0.035 63.237 63.200 0.002 0.000 0.829 434 S HN 0.569 nan 8.310 nan 0.000 0.530 435 Q N 1.142 120.909 119.800 -0.055 0.000 2.016 435 Q HA -0.123 4.217 4.340 -0.000 0.000 0.200 435 Q C 1.535 177.462 176.000 -0.122 0.000 0.978 435 Q CA 1.480 57.234 55.803 -0.082 0.000 0.833 435 Q CB -0.214 28.421 28.738 -0.173 0.000 0.895 435 Q HN 0.562 nan 8.270 nan 0.000 0.427 436 E N -0.030 120.070 120.200 -0.166 0.000 2.333 436 E HA -0.119 4.231 4.350 -0.000 0.000 0.200 436 E C 0.850 177.395 176.600 -0.091 0.000 1.010 436 E CA 0.491 56.804 56.400 -0.145 0.000 0.841 436 E CB -0.161 29.451 29.700 -0.147 0.000 0.757 436 E HN 0.343 nan 8.360 nan 0.000 0.508 437 G N 0.000 108.757 108.800 -0.072 0.000 5.446 437 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 437 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 437 G CA 0.000 45.070 45.100 -0.050 0.000 0.502 437 G HN 0.000 nan 8.290 nan 0.000 0.925