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 1yey_1_C DATA FIRST_RESID 2 DATA SEQUENCE RTIIALETHD VRFPTSRELD GSDAXNPDPD YSAAYVVLRT DGAEDLAGYG DATA SEQUENCE LVFTIGRGND VQTAAVAALA EHVVGLSVDK VIADLGAFAR RLTNDSQLRW DATA SEQUENCE LGPEKGVXHX AIGAVINAAW DLAARAANKP LWRFIAELTP EQLVDTIDFR DATA SEQUENCE YLSDALTRDE ALAILRDAQP QRAARTATLI EQGYPAYTTS PGWLGYSDEK DATA SEQUENCE LVRLAKEAVA DGFRTIKLKV GANVQDDIRR CRLARAAIGP DIAXAVDANQ DATA SEQUENCE RWDVGPAIDW XRQLAEFDIA WIEEPTSPDD VLGHAAIRQG ITPVPVSTGE DATA SEQUENCE HTQNRVVFKQ LLQAGAVDLI QIDAARVGGV NENLAILLLA AKFGVRVFPH DATA SEQUENCE AGGVGLCELV QHLAXADFVA ITGKXEDRAI EFVDHLHQHF LDPVRIQHGR DATA SEQUENCE YLAPEVPGFS AEXHPASIAE FSYPDGRFWV EDLA 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 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.282 176.300 -0.031 0.000 0.893 2 R CA 0.000 56.084 56.100 -0.027 0.000 0.921 2 R CB 0.000 30.279 30.300 -0.035 0.000 0.687 3 T N 2.856 117.393 114.554 -0.028 0.000 2.907 3 T HA 0.515 4.865 4.350 -0.000 0.000 0.292 3 T C 0.029 174.710 174.700 -0.032 0.000 1.043 3 T CA -0.687 61.397 62.100 -0.026 0.000 1.003 3 T CB 1.636 70.495 68.868 -0.015 0.000 1.084 3 T HN 0.320 nan 8.240 nan 0.000 0.483 4 I N 3.461 124.013 120.570 -0.031 0.000 2.308 4 I HA 0.200 4.370 4.170 -0.000 0.000 0.293 4 I C 1.596 177.703 176.117 -0.017 0.000 1.078 4 I CA -0.109 61.170 61.300 -0.034 0.000 1.292 4 I CB 0.519 38.501 38.000 -0.030 0.000 1.423 4 I HN 0.675 nan 8.210 nan 0.000 0.493 5 I N 3.354 123.911 120.570 -0.020 0.000 3.226 5 I HA 0.440 4.610 4.170 -0.000 0.000 0.277 5 I C 0.786 176.897 176.117 -0.009 0.000 1.243 5 I CA 0.214 61.507 61.300 -0.011 0.000 1.459 5 I CB 0.137 38.131 38.000 -0.010 0.000 1.093 5 I HN 0.510 nan 8.210 nan 0.000 0.453 6 A N 1.317 124.128 122.820 -0.015 0.000 2.605 6 A HA 0.685 5.005 4.320 -0.000 0.000 0.294 6 A C -1.826 175.745 177.584 -0.023 0.000 1.062 6 A CA -0.518 51.511 52.037 -0.014 0.000 0.682 6 A CB 1.525 20.518 19.000 -0.012 0.000 1.278 6 A HN 0.205 nan 8.150 nan 0.000 0.410 7 L N 1.855 123.068 121.223 -0.016 0.000 2.366 7 L HA 0.507 4.847 4.340 -0.000 0.000 0.266 7 L C 0.018 176.865 176.870 -0.037 0.000 1.010 7 L CA -0.049 54.777 54.840 -0.023 0.000 0.879 7 L CB 0.816 42.879 42.059 0.007 0.000 1.228 7 L HN 0.756 nan 8.230 nan 0.000 0.439 8 E N 1.949 122.118 120.200 -0.051 0.000 2.266 8 E HA 0.673 5.023 4.350 -0.000 0.000 0.277 8 E C -0.847 175.694 176.600 -0.098 0.000 1.018 8 E CA -0.695 55.660 56.400 -0.075 0.000 0.840 8 E CB 1.312 30.998 29.700 -0.023 0.000 1.082 8 E HN 0.501 nan 8.360 nan 0.000 0.395 9 T N 0.392 114.829 114.554 -0.195 0.000 2.893 9 T HA 0.509 4.859 4.350 -0.000 0.000 0.293 9 T C -1.012 173.509 174.700 -0.298 0.000 1.027 9 T CA -0.954 61.071 62.100 -0.125 0.000 0.988 9 T CB 1.113 69.948 68.868 -0.054 0.000 1.043 9 T HN 0.574 nan 8.240 nan 0.000 0.461 10 H N 0.336 119.485 119.070 0.133 0.000 2.679 10 H HA 0.532 5.088 4.556 -0.000 0.000 0.360 10 H C -1.142 174.259 175.328 0.121 0.000 1.105 10 H CA -0.712 55.425 56.048 0.148 0.000 1.196 10 H CB 1.613 31.511 29.762 0.226 0.000 1.636 10 H HN 0.642 nan 8.280 nan 0.000 0.531 11 D N 3.280 123.790 120.400 0.183 0.000 2.422 11 D HA 0.166 4.806 4.640 -0.000 0.000 0.227 11 D C -0.819 175.536 176.300 0.091 0.000 1.190 11 D CA -0.195 53.868 54.000 0.105 0.000 0.905 11 D CB 0.294 41.150 40.800 0.093 0.000 1.034 11 D HN 0.216 nan 8.370 nan 0.000 0.507 12 V N 5.912 125.844 119.914 0.029 0.000 2.384 12 V HA 0.510 4.630 4.120 -0.000 0.000 0.287 12 V C 0.233 176.166 176.094 -0.268 0.000 1.020 12 V CA -0.810 61.431 62.300 -0.097 0.000 0.850 12 V CB 1.329 33.055 31.823 -0.161 0.000 0.987 12 V HN 0.438 nan 8.190 nan 0.000 0.436 13 R N 3.936 124.264 120.500 -0.287 0.000 2.574 13 R HA 0.641 4.981 4.340 -0.000 0.000 0.288 13 R C -1.842 174.367 176.300 -0.152 0.000 1.004 13 R CA -0.579 55.354 56.100 -0.279 0.000 0.895 13 R CB 1.655 31.772 30.300 -0.305 0.000 1.191 13 R HN 0.407 nan 8.270 nan 0.000 0.444 14 F N 2.675 122.661 119.950 0.060 0.000 2.421 14 F HA 0.369 4.896 4.527 -0.000 0.000 0.337 14 F C -1.445 174.361 175.800 0.010 0.000 1.105 14 F CA -2.782 55.118 58.000 -0.167 0.000 1.049 14 F CB 1.545 40.294 39.000 -0.417 0.000 1.139 14 F HN 0.346 nan 8.300 nan 0.000 0.479 15 P HA 0.013 nan 4.420 nan 0.000 0.228 15 P C 0.860 178.166 177.300 0.009 0.000 1.748 15 P CA 0.195 63.364 63.100 0.115 0.000 0.909 15 P CB -0.613 31.065 31.700 -0.037 0.000 1.882 16 T N -3.047 111.486 114.554 -0.036 0.000 2.977 16 T HA -0.148 4.202 4.350 -0.000 0.000 0.271 16 T C 1.822 176.412 174.700 -0.184 0.000 1.105 16 T CA 1.421 63.415 62.100 -0.176 0.000 1.116 16 T CB -0.952 67.666 68.868 -0.416 0.000 0.878 16 T HN 0.274 nan 8.240 nan 0.000 0.509 17 S N 1.741 117.379 115.700 -0.102 0.000 2.469 17 S HA -0.043 4.427 4.470 -0.000 0.000 0.238 17 S C 1.772 176.346 174.600 -0.044 0.000 0.998 17 S CA 0.104 58.254 58.200 -0.084 0.000 0.957 17 S CB -0.566 62.623 63.200 -0.019 0.000 0.764 17 S HN 0.625 nan 8.310 nan 0.000 0.514 18 R N 0.848 121.339 120.500 -0.015 0.000 2.423 18 R HA 0.247 4.587 4.340 -0.000 0.000 0.248 18 R C 0.534 176.828 176.300 -0.010 0.000 1.019 18 R CA 0.200 56.305 56.100 0.009 0.000 1.119 18 R CB 0.039 30.368 30.300 0.049 0.000 1.176 18 R HN 0.508 nan 8.270 nan 0.000 0.526 19 E N -0.208 119.967 120.200 -0.042 0.000 2.571 19 E HA 0.073 4.423 4.350 -0.000 0.000 0.222 19 E C 0.857 177.448 176.600 -0.017 0.000 0.904 19 E CA -0.263 56.118 56.400 -0.032 0.000 1.157 19 E CB 0.525 30.192 29.700 -0.055 0.000 1.158 19 E HN 0.134 nan 8.360 nan 0.000 0.540 20 L N 2.720 123.909 121.223 -0.056 0.000 4.179 20 L HA -0.197 4.143 4.340 -0.000 0.000 0.418 20 L C -0.917 175.912 176.870 -0.069 0.000 1.168 20 L CA 1.254 56.063 54.840 -0.051 0.000 0.972 20 L CB -0.661 41.413 42.059 0.025 0.000 2.005 20 L HN 0.191 nan 8.230 nan 0.000 0.935 21 D N -0.376 119.934 120.400 -0.149 0.000 2.551 21 D HA 0.512 5.152 4.640 -0.000 0.000 0.294 21 D C 0.849 176.606 176.300 -0.904 0.000 1.201 21 D CA 0.402 54.263 54.000 -0.232 0.000 0.941 21 D CB 0.847 41.746 40.800 0.165 0.000 0.995 21 D HN 0.246 nan 8.370 nan 0.000 0.502 22 G N -0.148 107.928 108.800 -1.208 0.000 4.755 22 G HA2 0.030 3.990 3.960 -0.000 0.000 0.220 22 G HA3 0.030 3.990 3.960 -0.000 0.000 0.220 22 G C -0.254 174.109 174.900 -0.895 0.000 0.675 22 G CA -0.514 43.456 45.100 -1.884 0.000 1.040 22 G HN 0.250 nan 8.290 nan 0.000 0.727 23 S N 0.978 116.444 115.700 -0.389 0.000 2.554 23 S HA 0.623 5.093 4.470 -0.000 0.000 0.278 23 S C -0.164 174.519 174.600 0.138 0.000 1.242 23 S CA -0.122 58.027 58.200 -0.085 0.000 1.051 23 S CB 1.642 64.794 63.200 -0.080 0.000 0.986 23 S HN 0.653 nan 8.310 nan 0.000 0.502 24 D N 0.282 120.749 120.400 0.112 0.000 2.714 24 D HA 0.742 5.382 4.640 -0.000 0.000 0.278 24 D C -0.074 176.236 176.300 0.016 0.000 1.102 24 D CA -0.903 53.158 54.000 0.103 0.000 1.108 24 D CB 0.497 41.378 40.800 0.135 0.000 1.444 24 D HN 0.555 nan 8.370 nan 0.000 0.568 28 P HA 0.256 nan 4.420 nan 0.000 0.283 28 P C -0.125 177.158 177.300 -0.029 0.000 1.271 28 P CA 0.093 63.181 63.100 -0.019 0.000 0.841 28 P CB 1.034 32.729 31.700 -0.009 0.000 1.122 29 D N -1.231 119.140 120.400 -0.049 0.000 2.692 29 D HA -0.134 4.506 4.640 -0.000 0.000 0.233 29 D C -2.100 174.171 176.300 -0.048 0.000 1.172 29 D CA 0.103 54.073 54.000 -0.051 0.000 0.636 29 D CB -2.062 38.725 40.800 -0.021 0.000 1.028 29 D HN 0.287 nan 8.370 nan 0.000 0.419 30 P HA 0.333 nan 4.420 nan 0.000 0.279 30 P C -0.770 176.514 177.300 -0.027 0.000 1.239 30 P CA -0.124 62.972 63.100 -0.006 0.000 0.789 30 P CB 0.687 32.437 31.700 0.083 0.000 0.933 31 D N 1.989 122.412 120.400 0.039 0.000 2.485 31 D HA 0.176 4.816 4.640 -0.000 0.000 0.229 31 D C -0.111 176.317 176.300 0.212 0.000 1.101 31 D CA -0.291 53.750 54.000 0.069 0.000 0.906 31 D CB -0.263 40.572 40.800 0.058 0.000 1.019 31 D HN 0.313 nan 8.370 nan 0.000 0.516 32 Y N 1.573 121.936 120.300 0.106 0.000 2.865 32 Y HA -0.043 4.507 4.550 -0.000 0.000 0.338 32 Y C 0.822 176.876 175.900 0.257 0.000 1.269 32 Y CA -0.098 58.168 58.100 0.277 0.000 1.585 32 Y CB 0.254 38.882 38.460 0.280 0.000 1.224 32 Y HN 0.269 nan 8.280 nan 0.000 0.554 33 S N 1.621 117.484 115.700 0.272 0.000 2.667 33 S HA 0.885 5.355 4.470 -0.000 0.000 0.292 33 S C -0.971 173.709 174.600 0.134 0.000 1.126 33 S CA -0.882 57.371 58.200 0.088 0.000 0.881 33 S CB 2.142 65.287 63.200 -0.092 0.000 1.132 33 S HN 0.714 nan 8.310 nan 0.000 0.492 34 A N 0.568 123.434 122.820 0.076 0.000 2.488 34 A HA 0.776 5.096 4.320 -0.000 0.000 0.295 34 A C -0.849 176.808 177.584 0.123 0.000 1.045 34 A CA -0.573 51.554 52.037 0.150 0.000 0.703 34 A CB 1.061 20.211 19.000 0.250 0.000 1.271 34 A HN 1.144 nan 8.150 nan 0.000 0.400 35 A N 1.968 124.861 122.820 0.122 0.000 2.506 35 A HA 0.523 4.843 4.320 -0.000 0.000 0.320 35 A C -0.614 177.102 177.584 0.220 0.000 1.424 35 A CA -0.177 51.934 52.037 0.124 0.000 1.044 35 A CB -0.545 18.491 19.000 0.060 0.000 1.140 35 A HN 1.108 nan 8.150 nan 0.000 0.538 36 Y N 3.176 123.551 120.300 0.125 0.000 2.359 36 Y HA 0.439 4.989 4.550 -0.000 0.000 0.334 36 Y C -0.302 175.713 175.900 0.192 0.000 1.058 36 Y CA -0.318 57.883 58.100 0.169 0.000 1.244 36 Y CB 0.869 39.435 38.460 0.177 0.000 1.187 36 Y HN 0.398 nan 8.280 nan 0.000 0.510 37 V N 6.715 126.523 119.914 -0.176 0.000 2.555 37 V HA 0.595 4.715 4.120 -0.000 0.000 0.302 37 V C -0.887 174.986 176.094 -0.367 0.000 1.038 37 V CA -1.021 61.164 62.300 -0.193 0.000 0.887 37 V CB 1.682 33.467 31.823 -0.063 0.000 0.991 37 V HN 0.513 nan 8.190 nan 0.000 0.434 38 V N 5.157 124.900 119.914 -0.284 0.000 2.577 38 V HA 0.419 4.539 4.120 -0.000 0.000 0.303 38 V C -0.798 175.141 176.094 -0.258 0.000 1.042 38 V CA -0.546 61.530 62.300 -0.373 0.000 0.872 38 V CB 1.850 33.485 31.823 -0.312 0.000 0.998 38 V HN 0.605 nan 8.190 nan 0.000 0.423 39 L N 6.233 127.276 121.223 -0.300 0.000 2.270 39 L HA 0.505 4.845 4.340 -0.000 0.000 0.286 39 L C 0.402 177.149 176.870 -0.205 0.000 1.059 39 L CA 0.113 54.838 54.840 -0.192 0.000 0.839 39 L CB 0.426 42.383 42.059 -0.170 0.000 1.221 39 L HN 0.484 nan 8.230 nan 0.000 0.431 40 R N 1.750 122.168 120.500 -0.135 0.000 2.357 40 R HA 0.598 4.938 4.340 -0.000 0.000 0.296 40 R C 0.230 176.487 176.300 -0.072 0.000 1.052 40 R CA -0.205 55.835 56.100 -0.100 0.000 0.988 40 R CB 1.304 31.571 30.300 -0.056 0.000 1.025 40 R HN 0.680 nan 8.270 nan 0.000 0.469 41 T N -2.582 111.935 114.554 -0.062 0.000 2.910 41 T HA 0.279 4.629 4.350 -0.000 0.000 0.287 41 T C 0.211 174.895 174.700 -0.028 0.000 1.050 41 T CA -0.822 61.249 62.100 -0.048 0.000 1.011 41 T CB 1.513 70.346 68.868 -0.059 0.000 1.195 41 T HN 0.477 nan 8.240 nan 0.000 0.540 42 D N -0.986 119.400 120.400 -0.023 0.000 2.491 42 D HA 0.330 4.970 4.640 -0.000 0.000 0.228 42 D C 0.860 177.154 176.300 -0.011 0.000 1.183 42 D CA -0.540 53.452 54.000 -0.012 0.000 0.827 42 D CB -0.241 40.553 40.800 -0.010 0.000 0.989 42 D HN 0.748 nan 8.370 nan 0.000 0.494 43 G N -0.284 108.507 108.800 -0.014 0.000 2.890 43 G HA2 0.560 4.520 3.960 -0.000 0.000 0.189 43 G HA3 0.560 4.520 3.960 -0.000 0.000 0.189 43 G C -0.287 174.612 174.900 -0.001 0.000 1.342 43 G CA -0.511 44.583 45.100 -0.011 0.000 1.026 43 G HN 0.334 nan 8.290 nan 0.000 0.579 44 A N -0.639 122.182 122.820 0.002 0.000 2.561 44 A HA 0.284 4.604 4.320 -0.000 0.000 0.234 44 A C 1.251 178.847 177.584 0.020 0.000 1.055 44 A CA 0.600 52.645 52.037 0.013 0.000 0.756 44 A CB 0.239 19.247 19.000 0.014 0.000 0.986 44 A HN 0.676 nan 8.150 nan 0.000 0.505 45 E N 0.894 121.113 120.200 0.031 0.000 2.396 45 E HA -0.174 4.176 4.350 -0.000 0.000 0.200 45 E C 1.131 177.771 176.600 0.067 0.000 1.023 45 E CA 1.600 58.028 56.400 0.046 0.000 0.857 45 E CB -0.018 29.714 29.700 0.054 0.000 0.775 45 E HN 0.735 nan 8.360 nan 0.000 0.525 46 D N -0.707 119.729 120.400 0.059 0.000 2.269 46 D HA -0.090 4.550 4.640 -0.000 0.000 0.208 46 D C 0.066 176.410 176.300 0.073 0.000 0.963 46 D CA 0.202 54.247 54.000 0.075 0.000 0.864 46 D CB 0.070 40.902 40.800 0.053 0.000 0.936 46 D HN 0.146 nan 8.370 nan 0.000 0.505 47 L N 1.325 122.568 121.223 0.033 0.000 2.334 47 L HA 0.524 4.864 4.340 -0.000 0.000 0.286 47 L C -0.703 176.149 176.870 -0.030 0.000 1.108 47 L CA 0.028 54.867 54.840 -0.001 0.000 0.875 47 L CB -0.471 41.575 42.059 -0.022 0.000 1.246 47 L HN -0.023 nan 8.230 nan 0.000 0.439 48 A N 3.295 126.088 122.820 -0.044 0.000 2.612 48 A HA 0.767 5.087 4.320 -0.000 0.000 0.293 48 A C -0.520 176.919 177.584 -0.243 0.000 1.075 48 A CA -0.184 51.741 52.037 -0.186 0.000 0.680 48 A CB 1.371 20.208 19.000 -0.271 0.000 1.279 48 A HN 0.673 nan 8.150 nan 0.000 0.411 49 G N -0.214 108.369 108.800 -0.362 0.000 2.416 49 G HA2 0.603 4.563 3.960 -0.000 0.000 0.324 49 G HA3 0.603 4.563 3.960 -0.000 0.000 0.324 49 G C -1.404 173.250 174.900 -0.410 0.000 1.194 49 G CA -0.254 44.702 45.100 -0.240 0.000 0.922 49 G HN 0.480 nan 8.290 nan 0.000 0.467 50 Y N 0.551 120.864 120.300 0.022 0.000 2.429 50 Y HA 0.730 5.279 4.550 -0.000 0.000 0.342 50 Y C 0.768 176.678 175.900 0.016 0.000 1.004 50 Y CA -0.285 57.809 58.100 -0.010 0.000 1.075 50 Y CB 2.835 41.348 38.460 0.088 0.000 1.214 50 Y HN 0.834 nan 8.280 nan 0.000 0.455 51 G N 1.996 110.856 108.800 0.100 0.000 2.649 51 G HA2 0.749 4.709 3.960 -0.000 0.000 0.290 51 G HA3 0.749 4.709 3.960 -0.000 0.000 0.290 51 G C -1.973 173.002 174.900 0.123 0.000 1.426 51 G CA -1.001 44.139 45.100 0.067 0.000 0.794 51 G HN 0.840 nan 8.290 nan 0.000 0.483 52 L N -2.508 118.781 121.223 0.111 0.000 2.794 52 L HA 0.828 5.168 4.340 -0.000 0.000 0.261 52 L C -1.732 175.210 176.870 0.120 0.000 0.989 52 L CA -1.198 53.753 54.840 0.186 0.000 0.900 52 L CB 1.519 43.787 42.059 0.347 0.000 1.473 52 L HN 0.458 nan 8.230 nan 0.000 0.414 53 V N 2.124 122.112 119.914 0.124 0.000 2.398 53 V HA 0.386 4.506 4.120 -0.000 0.000 0.286 53 V C -0.436 175.740 176.094 0.136 0.000 1.026 53 V CA -0.251 62.102 62.300 0.089 0.000 0.868 53 V CB 1.433 33.275 31.823 0.030 0.000 0.982 53 V HN 0.593 nan 8.190 nan 0.000 0.443 54 F N 4.769 124.726 119.950 0.011 0.000 2.445 54 F HA 0.572 5.099 4.527 -0.000 0.000 0.359 54 F C 0.447 176.239 175.800 -0.013 0.000 1.101 54 F CA 0.343 58.343 58.000 0.001 0.000 1.177 54 F CB 0.732 39.719 39.000 -0.022 0.000 1.110 54 F HN 0.534 nan 8.300 nan 0.000 0.522 55 T N 6.826 120.957 114.554 -0.705 0.000 2.905 55 T HA 0.455 4.805 4.350 -0.000 0.000 0.283 55 T C 0.473 174.641 174.700 -0.886 0.000 1.031 55 T CA -0.513 61.194 62.100 -0.657 0.000 1.002 55 T CB 1.590 70.279 68.868 -0.298 0.000 1.200 55 T HN 0.666 nan 8.240 nan 0.000 0.560 56 I N 0.209 120.495 120.570 -0.474 0.000 3.966 56 I HA 0.386 4.556 4.170 -0.000 0.000 0.324 56 I C 0.926 176.974 176.117 -0.114 0.000 1.517 56 I CA 0.243 61.389 61.300 -0.257 0.000 1.117 56 I CB -0.237 37.659 38.000 -0.173 0.000 1.190 56 I HN 0.939 nan 8.210 nan 0.000 0.466 57 G N 1.112 109.817 108.800 -0.158 0.000 1.844 57 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.177 57 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.177 57 G C -0.428 174.345 174.900 -0.212 0.000 1.010 57 G CA -0.860 44.141 45.100 -0.164 0.000 1.257 57 G HN 0.146 nan 8.290 nan 0.000 0.428 58 R N 1.231 121.629 120.500 -0.171 0.000 2.679 58 R HA 0.399 4.739 4.340 -0.000 0.000 0.268 58 R C 1.465 177.681 176.300 -0.140 0.000 1.044 58 R CA 1.272 57.276 56.100 -0.159 0.000 1.105 58 R CB 0.253 30.490 30.300 -0.106 0.000 0.989 58 R HN 2.147 nan 8.270 nan 0.000 0.447 59 G N 1.525 110.250 108.800 -0.125 0.000 2.199 59 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.254 59 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.254 59 G C 0.811 175.646 174.900 -0.109 0.000 0.982 59 G CA 0.561 45.600 45.100 -0.102 0.000 0.632 59 G HN 0.678 nan 8.290 nan 0.000 0.529 60 N N 1.578 120.192 118.700 -0.143 0.000 2.309 60 N HA -0.052 4.688 4.740 -0.000 0.000 0.182 60 N C 1.927 177.388 175.510 -0.081 0.000 1.018 60 N CA 1.978 54.951 53.050 -0.128 0.000 0.876 60 N CB -0.167 38.219 38.487 -0.169 0.000 0.972 60 N HN 0.634 nan 8.380 nan 0.000 0.434 61 D N -0.204 120.151 120.400 -0.076 0.000 2.149 61 D HA -0.128 4.512 4.640 -0.000 0.000 0.201 61 D C 1.990 178.278 176.300 -0.020 0.000 0.972 61 D CA 1.404 55.389 54.000 -0.025 0.000 0.835 61 D CB -0.833 39.969 40.800 0.004 0.000 0.966 61 D HN 0.294 nan 8.370 nan 0.000 0.476 62 V N -1.207 118.687 119.914 -0.032 0.000 2.548 62 V HA -0.165 3.955 4.120 -0.000 0.000 0.249 62 V C 2.531 178.610 176.094 -0.024 0.000 1.055 62 V CA 1.514 63.799 62.300 -0.024 0.000 1.065 62 V CB -1.021 30.784 31.823 -0.029 0.000 0.681 62 V HN 0.015 nan 8.190 nan 0.000 0.462 63 Q N 1.349 121.127 119.800 -0.036 0.000 2.124 63 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 63 Q C 2.148 178.140 176.000 -0.013 0.000 0.977 63 Q CA 2.678 58.462 55.803 -0.032 0.000 0.850 63 Q CB -0.979 27.728 28.738 -0.051 0.000 0.901 63 Q HN 0.708 nan 8.270 nan 0.000 0.429 64 T N -0.086 114.464 114.554 -0.007 0.000 2.857 64 T HA -0.003 4.347 4.350 -0.000 0.000 0.266 64 T C 1.674 176.375 174.700 0.002 0.000 1.048 64 T CA 1.107 63.212 62.100 0.009 0.000 1.139 64 T CB -0.432 68.447 68.868 0.019 0.000 0.874 64 T HN 0.436 nan 8.240 nan 0.000 0.455 65 A N 1.420 124.239 122.820 -0.002 0.000 1.930 65 A HA 0.215 4.535 4.320 -0.000 0.000 0.217 65 A C 2.612 180.198 177.584 0.003 0.000 1.175 65 A CA 1.657 53.694 52.037 -0.000 0.000 0.627 65 A CB -0.978 18.022 19.000 -0.000 0.000 0.815 65 A HN 0.488 nan 8.150 nan 0.000 0.443 66 A N -0.442 122.378 122.820 0.000 0.000 1.902 66 A HA -0.018 4.302 4.320 -0.000 0.000 0.217 66 A C 2.223 179.808 177.584 0.002 0.000 1.181 66 A CA 1.841 53.880 52.037 0.002 0.000 0.623 66 A CB -0.918 18.080 19.000 -0.003 0.000 0.818 66 A HN 0.385 nan 8.150 nan 0.000 0.443 67 V N -0.155 119.759 119.914 0.001 0.000 2.295 67 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 67 V C 3.039 179.138 176.094 0.008 0.000 1.049 67 V CA 1.883 64.186 62.300 0.004 0.000 1.024 67 V CB -1.253 30.575 31.823 0.009 0.000 0.648 67 V HN 0.607 nan 8.190 nan 0.000 0.447 68 A N 0.064 122.886 122.820 0.004 0.000 2.019 68 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 68 A C 2.313 179.909 177.584 0.021 0.000 1.164 68 A CA 1.807 53.846 52.037 0.004 0.000 0.644 68 A CB -0.640 18.355 19.000 -0.008 0.000 0.805 68 A HN 0.596 nan 8.150 nan 0.000 0.449 69 A N -0.638 122.198 122.820 0.026 0.000 2.172 69 A HA 0.160 4.480 4.320 -0.000 0.000 0.216 69 A C 1.763 179.401 177.584 0.090 0.000 1.154 69 A CA 0.931 52.997 52.037 0.048 0.000 0.701 69 A CB -0.451 18.574 19.000 0.041 0.000 0.789 69 A HN 0.479 nan 8.150 nan 0.000 0.465 70 L N -1.234 120.029 121.223 0.067 0.000 2.591 70 L HA 0.078 4.418 4.340 -0.000 0.000 0.228 70 L C 2.648 179.608 176.870 0.149 0.000 1.133 70 L CA 0.331 55.226 54.840 0.092 0.000 0.880 70 L CB -0.349 41.701 42.059 -0.015 0.000 1.033 70 L HN 0.404 nan 8.230 nan 0.000 0.450 71 A N 0.787 123.668 122.820 0.102 0.000 1.873 71 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 71 A C 2.148 179.782 177.584 0.082 0.000 1.193 71 A CA 1.808 53.890 52.037 0.076 0.000 0.629 71 A CB -0.371 18.652 19.000 0.039 0.000 0.826 71 A HN 0.452 nan 8.150 nan 0.000 0.447 72 E N -1.064 119.174 120.200 0.064 0.000 2.209 72 E HA -0.207 4.143 4.350 -0.000 0.000 0.196 72 E C 1.762 178.343 176.600 -0.031 0.000 0.993 72 E CA 1.112 57.507 56.400 -0.008 0.000 0.819 72 E CB -0.307 29.349 29.700 -0.073 0.000 0.745 72 E HN 0.754 nan 8.360 nan 0.000 0.477 73 H N -0.871 118.205 119.070 0.010 0.000 2.495 73 H HA -0.007 4.549 4.556 -0.000 0.000 0.287 73 H C 1.849 177.201 175.328 0.040 0.000 1.033 73 H CA 0.852 56.902 56.048 0.003 0.000 1.307 73 H CB 0.657 30.400 29.762 -0.033 0.000 1.401 73 H HN 0.058 nan 8.280 nan 0.000 0.555 74 V N 0.672 120.700 119.914 0.190 0.000 3.013 74 V HA -0.036 4.084 4.120 -0.000 0.000 0.238 74 V C 0.966 177.132 176.094 0.121 0.000 1.161 74 V CA 0.380 62.804 62.300 0.205 0.000 1.170 74 V CB 0.683 32.656 31.823 0.250 0.000 0.917 74 V HN 0.143 nan 8.190 nan 0.000 0.478 75 V N 0.860 120.818 119.914 0.074 0.000 2.599 75 V HA 0.596 4.716 4.120 -0.000 0.000 0.300 75 V C 1.181 177.293 176.094 0.030 0.000 1.034 75 V CA 0.877 63.200 62.300 0.038 0.000 1.115 75 V CB -0.231 31.605 31.823 0.021 0.000 0.934 75 V HN 0.839 nan 8.190 nan 0.000 0.485 76 G N 3.039 111.851 108.800 0.020 0.000 2.218 76 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.216 76 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.216 76 G C 0.005 174.917 174.900 0.019 0.000 0.994 76 G CA -0.034 45.074 45.100 0.014 0.000 0.637 76 G HN 0.883 nan 8.290 nan 0.000 0.505 77 L N 1.835 123.079 121.223 0.035 0.000 2.439 77 L HA 0.492 4.832 4.340 -0.000 0.000 0.269 77 L C 1.306 178.179 176.870 0.006 0.000 1.179 77 L CA 0.186 55.050 54.840 0.041 0.000 0.828 77 L CB 1.336 43.451 42.059 0.093 0.000 1.106 77 L HN 0.280 nan 8.230 nan 0.000 0.467 78 S N 1.386 117.087 115.700 0.002 0.000 2.505 78 S HA 0.117 4.587 4.470 -0.000 0.000 0.276 78 S C 1.143 175.716 174.600 -0.047 0.000 1.274 78 S CA -0.855 57.333 58.200 -0.019 0.000 1.053 78 S CB 1.122 64.315 63.200 -0.012 0.000 0.919 78 S HN 0.394 nan 8.310 nan 0.000 0.490 79 V N 4.947 124.823 119.914 -0.064 0.000 2.252 79 V HA -0.170 3.950 4.120 -0.000 0.000 0.249 79 V C 2.215 178.248 176.094 -0.102 0.000 1.056 79 V CA 2.294 64.534 62.300 -0.100 0.000 1.022 79 V CB -0.648 31.122 31.823 -0.090 0.000 0.641 79 V HN 0.850 nan 8.190 nan 0.000 0.445 80 D N -0.314 120.045 120.400 -0.069 0.000 2.182 80 D HA -0.203 4.437 4.640 -0.000 0.000 0.201 80 D C 2.169 178.435 176.300 -0.056 0.000 0.986 80 D CA 1.465 55.430 54.000 -0.059 0.000 0.847 80 D CB -0.049 40.728 40.800 -0.038 0.000 0.942 80 D HN 0.363 nan 8.370 nan 0.000 0.467 81 K N 1.088 121.461 120.400 -0.045 0.000 2.062 81 K HA -0.081 4.239 4.320 -0.000 0.000 0.205 81 K C 1.970 178.546 176.600 -0.040 0.000 1.051 81 K CA 0.730 57.001 56.287 -0.026 0.000 0.941 81 K CB -0.269 32.230 32.500 -0.001 0.000 0.719 81 K HN -0.075 nan 8.250 nan 0.000 0.440 82 V N 1.163 121.024 119.914 -0.088 0.000 2.244 82 V HA -0.224 3.896 4.120 -0.000 0.000 0.244 82 V C 2.262 178.226 176.094 -0.218 0.000 1.042 82 V CA 1.501 63.693 62.300 -0.179 0.000 1.006 82 V CB -0.523 31.062 31.823 -0.397 0.000 0.641 82 V HN 0.227 nan 8.190 nan 0.000 0.446 83 I N 1.130 121.571 120.570 -0.215 0.000 2.145 83 I HA -0.274 3.896 4.170 -0.000 0.000 0.244 83 I C 2.482 178.523 176.117 -0.126 0.000 1.075 83 I CA 2.297 63.479 61.300 -0.197 0.000 1.332 83 I CB -1.649 36.262 38.000 -0.148 0.000 1.033 83 I HN 0.359 nan 8.210 nan 0.000 0.410 84 A N -1.037 121.733 122.820 -0.083 0.000 2.235 84 A HA -0.052 4.268 4.320 -0.000 0.000 0.208 84 A C 0.620 178.172 177.584 -0.053 0.000 1.172 84 A CA 0.659 52.666 52.037 -0.051 0.000 0.786 84 A CB -0.275 18.706 19.000 -0.033 0.000 0.804 84 A HN 0.384 nan 8.150 nan 0.000 0.479 85 D N -0.526 119.833 120.400 -0.068 0.000 2.527 85 D HA 0.252 4.892 4.640 -0.000 0.000 0.242 85 D C 0.212 176.491 176.300 -0.036 0.000 1.285 85 D CA -0.375 53.604 54.000 -0.034 0.000 0.886 85 D CB 0.540 41.346 40.800 0.009 0.000 1.402 85 D HN -0.061 nan 8.370 nan 0.000 0.528 86 L N 1.640 122.787 121.223 -0.128 0.000 2.240 86 L HA 0.214 4.554 4.340 -0.000 0.000 0.211 86 L C 2.384 179.308 176.870 0.091 0.000 1.106 86 L CA 1.498 56.242 54.840 -0.160 0.000 0.793 86 L CB -0.844 40.794 42.059 -0.701 0.000 0.927 86 L HN 0.483 nan 8.230 nan 0.000 0.446 87 G N -0.717 108.139 108.800 0.093 0.000 2.433 87 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.216 87 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.216 87 G C 1.706 176.678 174.900 0.119 0.000 1.186 87 G CA 0.873 46.054 45.100 0.134 0.000 0.779 87 G HN 0.459 nan 8.290 nan 0.000 0.543 88 A N 0.276 123.156 122.820 0.101 0.000 1.902 88 A HA 0.041 4.361 4.320 -0.000 0.000 0.217 88 A C 2.187 179.839 177.584 0.113 0.000 1.181 88 A CA 1.626 53.717 52.037 0.091 0.000 0.623 88 A CB -0.581 18.466 19.000 0.079 0.000 0.818 88 A HN 0.402 nan 8.150 nan 0.000 0.443 89 F N 1.000 120.957 119.950 0.011 0.000 2.171 89 F HA -0.087 4.440 4.527 -0.000 0.000 0.300 89 F C 2.439 178.268 175.800 0.048 0.000 1.090 89 F CA 0.992 59.002 58.000 0.017 0.000 1.293 89 F CB -0.393 38.596 39.000 -0.017 0.000 1.013 89 F HN 0.254 nan 8.300 nan 0.000 0.486 90 A N 0.563 123.418 122.820 0.058 0.000 1.855 90 A HA -0.143 4.177 4.320 -0.000 0.000 0.215 90 A C 2.326 179.876 177.584 -0.056 0.000 1.191 90 A CA 1.481 53.521 52.037 0.004 0.000 0.613 90 A CB -0.714 18.382 19.000 0.161 0.000 0.829 90 A HN 0.400 nan 8.150 nan 0.000 0.442 91 R N -0.807 119.692 120.500 -0.002 0.000 2.193 91 R HA -0.095 4.245 4.340 -0.000 0.000 0.229 91 R C 2.384 178.664 176.300 -0.033 0.000 1.110 91 R CA 1.130 57.229 56.100 -0.002 0.000 0.988 91 R CB -0.293 30.022 30.300 0.025 0.000 0.871 91 R HN 0.579 nan 8.270 nan 0.000 0.458 92 R N 0.652 121.103 120.500 -0.082 0.000 2.081 92 R HA -0.145 4.195 4.340 -0.000 0.000 0.235 92 R C 1.523 177.770 176.300 -0.089 0.000 1.131 92 R CA 1.293 57.349 56.100 -0.072 0.000 0.960 92 R CB 0.012 30.244 30.300 -0.112 0.000 0.856 92 R HN 0.080 nan 8.270 nan 0.000 0.436 93 L N 0.070 121.171 121.223 -0.203 0.000 2.102 93 L HA 0.000 4.340 4.340 -0.000 0.000 0.202 93 L C 2.403 179.206 176.870 -0.112 0.000 1.076 93 L CA 1.713 56.410 54.840 -0.238 0.000 0.761 93 L CB -1.138 40.733 42.059 -0.314 0.000 0.921 93 L HN 0.112 nan 8.230 nan 0.000 0.444 94 T N 0.085 114.608 114.554 -0.052 0.000 2.833 94 T HA -0.123 4.227 4.350 -0.000 0.000 0.269 94 T C 1.454 176.166 174.700 0.020 0.000 1.054 94 T CA 1.207 63.319 62.100 0.020 0.000 1.135 94 T CB -0.138 68.763 68.868 0.054 0.000 0.869 94 T HN 0.245 nan 8.240 nan 0.000 0.466 95 N N 1.377 120.083 118.700 0.011 0.000 2.336 95 N HA 0.012 4.752 4.740 -0.000 0.000 0.189 95 N C 0.084 175.618 175.510 0.041 0.000 1.113 95 N CA 0.112 53.178 53.050 0.027 0.000 0.858 95 N CB -0.018 38.483 38.487 0.023 0.000 0.970 95 N HN 0.380 nan 8.380 nan 0.000 0.471 96 D N 1.162 121.586 120.400 0.040 0.000 2.346 96 D HA -0.012 4.628 4.640 -0.000 0.000 0.267 96 D C 1.152 177.499 176.300 0.079 0.000 1.320 96 D CA 0.051 54.096 54.000 0.075 0.000 0.951 96 D CB 0.654 41.517 40.800 0.104 0.000 1.079 96 D HN 0.149 nan 8.370 nan 0.000 0.509 97 S N 3.257 119.007 115.700 0.083 0.000 2.420 97 S HA -0.271 4.199 4.470 -0.000 0.000 0.237 97 S C 1.572 176.255 174.600 0.139 0.000 1.023 97 S CA 1.023 59.287 58.200 0.106 0.000 0.991 97 S CB -0.148 63.109 63.200 0.094 0.000 0.792 97 S HN 0.613 nan 8.310 nan 0.000 0.488 98 Q N -0.230 119.636 119.800 0.110 0.000 2.245 98 Q HA 0.173 4.513 4.340 -0.000 0.000 0.201 98 Q C 1.840 177.928 176.000 0.148 0.000 0.955 98 Q CA 0.743 56.614 55.803 0.113 0.000 0.870 98 Q CB -0.171 28.605 28.738 0.064 0.000 0.945 98 Q HN 0.396 nan 8.270 nan 0.000 0.461 99 L N 0.288 121.580 121.223 0.116 0.000 2.131 99 L HA -0.066 4.274 4.340 -0.000 0.000 0.206 99 L C 2.045 178.972 176.870 0.095 0.000 1.087 99 L CA 1.504 56.396 54.840 0.087 0.000 0.767 99 L CB -0.334 41.738 42.059 0.023 0.000 0.917 99 L HN 0.058 nan 8.230 nan 0.000 0.441 100 R N -1.621 118.939 120.500 0.100 0.000 2.105 100 R HA -0.254 4.086 4.340 -0.000 0.000 0.239 100 R C 2.159 178.506 176.300 0.079 0.000 1.135 100 R CA 1.497 57.640 56.100 0.071 0.000 0.967 100 R CB -0.574 29.773 30.300 0.078 0.000 0.861 100 R HN 0.479 nan 8.270 nan 0.000 0.442 101 W N 1.165 122.463 121.300 -0.004 0.000 2.350 101 W HA -0.177 4.482 4.660 -0.000 0.000 0.289 101 W C 0.965 177.477 176.519 -0.011 0.000 1.215 101 W CA 1.059 58.401 57.345 -0.006 0.000 1.236 101 W CB 0.044 29.504 29.460 -0.001 0.000 1.130 101 W HN 0.086 nan 8.180 nan 0.000 0.541 102 L N 0.235 121.531 121.223 0.121 0.000 2.551 102 L HA 0.054 4.394 4.340 -0.000 0.000 0.228 102 L C 2.004 178.845 176.870 -0.048 0.000 1.153 102 L CA 1.705 56.573 54.840 0.047 0.000 0.851 102 L CB -1.141 40.964 42.059 0.075 0.000 0.959 102 L HN -0.048 nan 8.230 nan 0.000 0.451 103 G N -0.957 107.791 108.800 -0.087 0.000 2.694 103 G HA2 0.291 4.251 3.960 -0.000 0.000 0.212 103 G HA3 0.291 4.251 3.960 -0.000 0.000 0.212 103 G C -2.348 172.438 174.900 -0.191 0.000 2.030 103 G CA 0.105 45.133 45.100 -0.119 0.000 0.731 103 G HN 0.087 nan 8.290 nan 0.000 0.795 104 P HA 0.341 nan 4.420 nan 0.000 0.292 104 P C -0.999 176.162 177.300 -0.231 0.000 1.283 104 P CA -0.045 62.963 63.100 -0.154 0.000 0.835 104 P CB 1.537 33.172 31.700 -0.109 0.000 1.017 105 E N 0.525 120.506 120.200 -0.364 0.000 2.252 105 E HA -0.213 4.137 4.350 -0.000 0.000 0.218 105 E C -0.055 176.218 176.600 -0.546 0.000 1.253 105 E CA 0.774 56.614 56.400 -0.932 0.000 0.705 105 E CB -1.512 27.787 29.700 -0.669 0.000 1.172 105 E HN 0.647 nan 8.360 nan 0.000 0.369 106 K N -2.004 118.278 120.400 -0.196 0.000 2.660 106 K HA 0.593 4.913 4.320 -0.000 0.000 0.285 106 K C 0.237 176.840 176.600 0.005 0.000 0.997 106 K CA -0.579 55.682 56.287 -0.043 0.000 0.861 106 K CB 1.282 33.722 32.500 -0.101 0.000 1.469 106 K HN 0.387 nan 8.250 nan 0.000 0.395 107 G N 0.571 109.362 108.800 -0.014 0.000 2.645 107 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.246 107 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.246 107 G C -0.032 174.861 174.900 -0.011 0.000 1.322 107 G CA -0.320 44.760 45.100 -0.034 0.000 0.898 107 G HN 0.685 nan 8.290 nan 0.000 0.573 113 I N 1.260 121.795 120.570 -0.059 0.000 2.179 113 I HA -0.144 4.026 4.170 -0.000 0.000 0.242 113 I C 2.647 178.725 176.117 -0.065 0.000 1.088 113 I CA 1.633 62.891 61.300 -0.070 0.000 1.357 113 I CB -0.321 37.644 38.000 -0.059 0.000 1.051 113 I HN 0.449 nan 8.210 nan 0.000 0.409 114 G N 0.468 109.183 108.800 -0.142 0.000 2.450 114 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.220 114 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.220 114 G C 1.830 176.730 174.900 0.000 0.000 1.130 114 G CA 0.893 45.931 45.100 -0.104 0.000 0.760 114 G HN 0.504 nan 8.290 nan 0.000 0.557 115 A N 0.106 122.927 122.820 0.001 0.000 1.873 115 A HA 0.106 4.426 4.320 -0.000 0.000 0.215 115 A C 2.604 180.235 177.584 0.078 0.000 1.186 115 A CA 1.766 53.822 52.037 0.032 0.000 0.616 115 A CB -0.625 18.390 19.000 0.025 0.000 0.823 115 A HN 0.249 nan 8.150 nan 0.000 0.442 116 V N 0.329 120.296 119.914 0.089 0.000 2.343 116 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 116 V C 2.423 178.701 176.094 0.307 0.000 1.051 116 V CA 1.963 64.360 62.300 0.161 0.000 1.036 116 V CB -0.703 31.205 31.823 0.141 0.000 0.654 116 V HN 0.558 nan 8.190 nan 0.000 0.451 117 I N 0.369 121.121 120.570 0.304 0.000 2.179 117 I HA -0.237 3.933 4.170 -0.000 0.000 0.242 117 I C 2.434 178.852 176.117 0.501 0.000 1.088 117 I CA 1.511 63.088 61.300 0.462 0.000 1.357 117 I CB -0.538 37.660 38.000 0.329 0.000 1.051 117 I HN 0.358 nan 8.210 nan 0.000 0.409 118 N N 1.148 120.053 118.700 0.342 0.000 2.104 118 N HA -0.153 4.587 4.740 -0.000 0.000 0.190 118 N C 1.880 177.634 175.510 0.406 0.000 1.024 118 N CA 1.659 54.949 53.050 0.400 0.000 0.853 118 N CB -0.374 38.204 38.487 0.151 0.000 1.008 118 N HN 0.368 nan 8.380 nan 0.000 0.424 119 A N 0.861 123.821 122.820 0.233 0.000 1.933 119 A HA 0.012 4.332 4.320 -0.000 0.000 0.218 119 A C 2.353 179.993 177.584 0.092 0.000 1.175 119 A CA 1.849 53.969 52.037 0.138 0.000 0.628 119 A CB -0.678 18.344 19.000 0.037 0.000 0.814 119 A HN 0.326 nan 8.150 nan 0.000 0.444 120 A N -1.477 121.398 122.820 0.092 0.000 1.930 120 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 120 A C 1.920 179.442 177.584 -0.104 0.000 1.175 120 A CA 1.334 53.276 52.037 -0.159 0.000 0.627 120 A CB -0.791 17.965 19.000 -0.406 0.000 0.815 120 A HN 0.721 nan 8.150 nan 0.000 0.443 121 W N 0.015 121.303 121.300 -0.020 0.000 2.388 121 W HA -0.044 4.616 4.660 -0.000 0.000 0.294 121 W C 1.948 178.367 176.519 -0.167 0.000 1.212 121 W CA 1.239 58.540 57.345 -0.073 0.000 1.271 121 W CB -0.382 29.076 29.460 -0.003 0.000 1.126 121 W HN 0.513 nan 8.180 nan 0.000 0.535 122 D N 0.123 120.670 120.400 0.245 0.000 2.104 122 D HA -0.210 4.430 4.640 -0.000 0.000 0.194 122 D C 2.166 178.451 176.300 -0.025 0.000 0.994 122 D CA 1.421 55.517 54.000 0.161 0.000 0.830 122 D CB -0.450 40.530 40.800 0.299 0.000 0.959 122 D HN 0.055 nan 8.370 nan 0.000 0.452 123 L N -0.062 121.121 121.223 -0.067 0.000 1.990 123 L HA -0.231 4.109 4.340 -0.000 0.000 0.213 123 L C 2.325 179.046 176.870 -0.247 0.000 1.072 123 L CA 1.786 56.536 54.840 -0.150 0.000 0.755 123 L CB -0.543 41.399 42.059 -0.194 0.000 0.889 123 L HN 0.162 nan 8.230 nan 0.000 0.432 124 A N -0.574 122.022 122.820 -0.373 0.000 1.933 124 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 124 A C 2.398 179.461 177.584 -0.867 0.000 1.175 124 A CA 1.659 53.351 52.037 -0.574 0.000 0.628 124 A CB -0.713 17.879 19.000 -0.681 0.000 0.814 124 A HN 0.580 nan 8.150 nan 0.000 0.444 125 A N 0.181 122.474 122.820 -0.880 0.000 1.898 125 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 125 A C 2.234 179.623 177.584 -0.324 0.000 1.181 125 A CA 1.379 52.972 52.037 -0.740 0.000 0.620 125 A CB -0.455 18.290 19.000 -0.426 0.000 0.819 125 A HN 0.511 nan 8.150 nan 0.000 0.442 126 R N -0.065 120.312 120.500 -0.205 0.000 2.083 126 R HA -0.114 4.226 4.340 -0.000 0.000 0.237 126 R C 2.412 178.655 176.300 -0.095 0.000 1.137 126 R CA 1.461 57.508 56.100 -0.090 0.000 0.951 126 R CB -1.175 29.108 30.300 -0.028 0.000 0.851 126 R HN 0.485 nan 8.270 nan 0.000 0.434 127 A N 1.825 124.563 122.820 -0.137 0.000 1.908 127 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 127 A C 2.367 179.910 177.584 -0.067 0.000 1.181 127 A CA 1.870 53.847 52.037 -0.099 0.000 0.627 127 A CB -0.542 18.385 19.000 -0.121 0.000 0.818 127 A HN 0.408 nan 8.150 nan 0.000 0.445 128 A N -1.394 121.374 122.820 -0.087 0.000 2.206 128 A HA 0.107 4.427 4.320 -0.000 0.000 0.211 128 A C 1.014 178.605 177.584 0.013 0.000 1.158 128 A CA 0.735 52.786 52.037 0.024 0.000 0.761 128 A CB -0.569 18.553 19.000 0.203 0.000 0.801 128 A HN 0.636 nan 8.150 nan 0.000 0.473 129 N N -0.631 118.053 118.700 -0.027 0.000 2.738 129 N HA -0.138 4.602 4.740 -0.000 0.000 0.249 129 N C -0.906 174.598 175.510 -0.010 0.000 1.047 129 N CA 1.265 54.307 53.050 -0.013 0.000 0.707 129 N CB -0.849 37.638 38.487 -0.001 0.000 0.937 129 N HN 0.707 nan 8.380 nan 0.000 0.545 130 K N 0.035 120.421 120.400 -0.023 0.000 2.508 130 K HA 0.505 4.825 4.320 -0.000 0.000 0.260 130 K C -2.656 173.908 176.600 -0.059 0.000 0.949 130 K CA -1.519 54.743 56.287 -0.040 0.000 0.834 130 K CB 2.487 34.984 32.500 -0.006 0.000 1.365 130 K HN -0.044 nan 8.250 nan 0.000 0.437 131 P HA 0.001 nan 4.420 nan 0.000 0.275 131 P C 0.581 177.836 177.300 -0.076 0.000 1.227 131 P CA -0.426 62.675 63.100 0.001 0.000 0.781 131 P CB 0.845 32.593 31.700 0.079 0.000 0.906 132 L N 5.088 126.245 121.223 -0.110 0.000 2.021 132 L HA -0.178 4.162 4.340 -0.000 0.000 0.215 132 L C 2.335 179.260 176.870 0.091 0.000 1.074 132 L CA 2.036 56.776 54.840 -0.167 0.000 0.760 132 L CB -1.667 39.944 42.059 -0.746 0.000 0.889 132 L HN 0.574 nan 8.230 nan 0.000 0.433 133 W N -0.368 121.112 121.300 0.300 0.000 2.325 133 W HA -0.228 4.432 4.660 -0.000 0.000 0.299 133 W C 2.098 178.699 176.519 0.137 0.000 1.215 133 W CA 1.253 58.706 57.345 0.180 0.000 1.244 133 W CB -1.250 28.296 29.460 0.142 0.000 1.140 133 W HN 0.178 nan 8.180 nan 0.000 0.523 134 R N -0.186 119.913 120.500 -0.669 0.000 2.093 134 R HA -0.091 4.249 4.340 -0.000 0.000 0.224 134 R C 2.298 178.484 176.300 -0.190 0.000 1.101 134 R CA 1.509 57.225 56.100 -0.640 0.000 0.979 134 R CB -1.022 28.699 30.300 -0.965 0.000 0.877 134 R HN 0.155 nan 8.270 nan 0.000 0.441 135 F N 1.803 121.626 119.950 -0.213 0.000 2.126 135 F HA -0.206 4.321 4.527 -0.000 0.000 0.299 135 F C 1.966 177.767 175.800 0.000 0.000 1.096 135 F CA 1.450 59.396 58.000 -0.090 0.000 1.255 135 F CB -0.205 38.761 39.000 -0.057 0.000 0.997 135 F HN -0.111 nan 8.300 nan 0.000 0.479 136 I N 0.057 120.664 120.570 0.061 0.000 2.163 136 I HA -0.258 3.912 4.170 -0.000 0.000 0.240 136 I C 2.650 178.749 176.117 -0.031 0.000 1.081 136 I CA 1.249 62.568 61.300 0.032 0.000 1.353 136 I CB -1.027 37.024 38.000 0.084 0.000 1.054 136 I HN 0.192 nan 8.210 nan 0.000 0.407 137 A N 0.193 123.023 122.820 0.018 0.000 2.067 137 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 137 A C 1.964 179.527 177.584 -0.034 0.000 1.158 137 A CA 1.375 53.430 52.037 0.029 0.000 0.661 137 A CB -0.500 18.579 19.000 0.131 0.000 0.801 137 A HN 0.490 nan 8.150 nan 0.000 0.452 138 E N -0.576 119.564 120.200 -0.099 0.000 2.474 138 E HA 0.224 4.574 4.350 -0.000 0.000 0.195 138 E C -0.356 176.149 176.600 -0.158 0.000 1.039 138 E CA -0.405 55.925 56.400 -0.117 0.000 0.881 138 E CB 0.098 29.724 29.700 -0.124 0.000 0.970 138 E HN 0.548 nan 8.360 nan 0.000 0.486 139 L N 1.756 122.861 121.223 -0.197 0.000 2.436 139 L HA 0.132 4.472 4.340 -0.000 0.000 0.265 139 L C 1.019 177.829 176.870 -0.100 0.000 1.168 139 L CA -0.514 54.207 54.840 -0.199 0.000 0.815 139 L CB 0.566 42.492 42.059 -0.221 0.000 1.109 139 L HN 0.063 nan 8.230 nan 0.000 0.462 140 T N -1.283 113.224 114.554 -0.079 0.000 2.898 140 T HA 0.128 4.478 4.350 -0.000 0.000 0.301 140 T C -1.873 172.815 174.700 -0.021 0.000 1.049 140 T CA -1.458 60.617 62.100 -0.043 0.000 1.095 140 T CB 0.999 69.846 68.868 -0.035 0.000 0.976 140 T HN 0.369 nan 8.240 nan 0.000 0.539 141 P HA -0.108 nan 4.420 nan 0.000 0.217 141 P C 1.151 178.467 177.300 0.028 0.000 1.148 141 P CA 1.089 64.196 63.100 0.012 0.000 0.828 141 P CB 0.080 31.785 31.700 0.007 0.000 0.783 142 E N -0.753 119.456 120.200 0.016 0.000 2.072 142 E HA -0.146 4.204 4.350 -0.000 0.000 0.190 142 E C 2.138 178.759 176.600 0.035 0.000 0.982 142 E CA 1.066 57.481 56.400 0.025 0.000 0.803 142 E CB -0.796 28.909 29.700 0.009 0.000 0.755 142 E HN 0.364 nan 8.360 nan 0.000 0.453 143 Q N -0.117 119.690 119.800 0.012 0.000 2.124 143 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 143 Q C 1.858 177.886 176.000 0.046 0.000 0.977 143 Q CA 0.720 56.527 55.803 0.007 0.000 0.850 143 Q CB -0.039 28.672 28.738 -0.045 0.000 0.901 143 Q HN 0.191 nan 8.270 nan 0.000 0.429 144 L N -0.032 121.224 121.223 0.055 0.000 1.976 144 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 144 L C 2.370 179.320 176.870 0.135 0.000 1.071 144 L CA 1.428 56.329 54.840 0.101 0.000 0.746 144 L CB -1.285 40.818 42.059 0.072 0.000 0.890 144 L HN 0.123 nan 8.230 nan 0.000 0.432 145 V N 0.204 120.207 119.914 0.149 0.000 2.453 145 V HA -0.286 3.834 4.120 -0.000 0.000 0.252 145 V C 2.127 178.385 176.094 0.274 0.000 1.068 145 V CA 1.638 64.091 62.300 0.255 0.000 1.070 145 V CB -0.581 31.395 31.823 0.254 0.000 0.664 145 V HN 0.415 nan 8.190 nan 0.000 0.461 146 D N 0.092 120.598 120.400 0.176 0.000 2.264 146 D HA -0.108 4.532 4.640 -0.000 0.000 0.208 146 D C 2.302 178.690 176.300 0.146 0.000 0.966 146 D CA 1.738 55.830 54.000 0.154 0.000 0.864 146 D CB -0.121 40.735 40.800 0.092 0.000 0.933 146 D HN 0.667 nan 8.370 nan 0.000 0.499 147 T N -1.266 113.382 114.554 0.156 0.000 3.067 147 T HA 0.002 4.352 4.350 -0.000 0.000 0.261 147 T C 1.007 175.785 174.700 0.131 0.000 1.110 147 T CA -0.331 61.884 62.100 0.192 0.000 1.113 147 T CB -0.164 68.922 68.868 0.363 0.000 0.917 147 T HN 0.101 nan 8.240 nan 0.000 0.499 148 I N 0.869 121.450 120.570 0.019 0.000 2.440 148 I HA 0.545 4.715 4.170 -0.000 0.000 0.294 148 I C -0.744 175.203 176.117 -0.283 0.000 0.995 148 I CA -0.882 60.296 61.300 -0.205 0.000 1.306 148 I CB 1.204 38.920 38.000 -0.472 0.000 1.407 148 I HN -0.161 nan 8.210 nan 0.000 0.501 149 D N 5.543 125.802 120.400 -0.235 0.000 2.411 149 D HA 0.179 4.819 4.640 -0.000 0.000 0.225 149 D C 0.124 176.304 176.300 -0.200 0.000 1.156 149 D CA -0.041 53.886 54.000 -0.122 0.000 0.874 149 D CB 0.047 40.829 40.800 -0.030 0.000 1.034 149 D HN 0.523 nan 8.370 nan 0.000 0.502 150 F N 1.752 121.712 119.950 0.016 0.000 2.811 150 F HA 0.108 4.635 4.527 -0.000 0.000 0.301 150 F C 1.736 177.523 175.800 -0.022 0.000 1.151 150 F CA -0.182 57.827 58.000 0.014 0.000 1.412 150 F CB -0.067 38.941 39.000 0.014 0.000 1.113 150 F HN 0.161 nan 8.300 nan 0.000 0.579 151 R N 0.399 120.919 120.500 0.033 0.000 2.570 151 R HA -0.102 4.238 4.340 -0.000 0.000 0.277 151 R C -0.234 175.976 176.300 -0.151 0.000 1.039 151 R CA 0.353 56.335 56.100 -0.197 0.000 1.065 151 R CB -0.036 30.003 30.300 -0.436 0.000 0.964 151 R HN 0.327 nan 8.270 nan 0.000 0.428 152 Y N 1.273 121.619 120.300 0.077 0.000 4.907 152 Y HA -0.264 4.286 4.550 -0.000 0.000 0.246 152 Y C 0.574 176.522 175.900 0.080 0.000 0.968 152 Y CA 0.716 58.852 58.100 0.061 0.000 1.961 152 Y CB -1.806 36.675 38.460 0.035 0.000 1.487 152 Y HN 0.645 nan 8.280 nan 0.000 0.575 153 L N -0.922 120.433 121.223 0.221 0.000 2.817 153 L HA 0.116 4.456 4.340 -0.000 0.000 0.248 153 L C 2.016 179.008 176.870 0.203 0.000 1.133 153 L CA 0.799 55.767 54.840 0.212 0.000 0.935 153 L CB 0.054 42.244 42.059 0.218 0.000 1.266 153 L HN 0.263 nan 8.230 nan 0.000 0.535 154 S N -0.022 115.779 115.700 0.168 0.000 2.440 154 S HA -0.200 4.270 4.470 -0.000 0.000 0.238 154 S C 1.390 176.052 174.600 0.103 0.000 1.010 154 S CA 1.446 59.716 58.200 0.117 0.000 0.972 154 S CB -0.431 62.813 63.200 0.073 0.000 0.774 154 S HN 0.596 nan 8.310 nan 0.000 0.501 155 D N 0.947 121.420 120.400 0.120 0.000 2.355 155 D HA 0.289 4.929 4.640 -0.000 0.000 0.218 155 D C 1.305 177.685 176.300 0.135 0.000 1.004 155 D CA 0.774 54.839 54.000 0.109 0.000 0.880 155 D CB 0.015 40.879 40.800 0.106 0.000 0.911 155 D HN 0.611 nan 8.370 nan 0.000 0.528 156 A N -0.404 122.519 122.820 0.171 0.000 2.141 156 A HA 0.390 4.710 4.320 -0.000 0.000 0.196 156 A C 0.232 177.937 177.584 0.201 0.000 1.502 156 A CA -0.149 52.029 52.037 0.234 0.000 1.075 156 A CB 0.661 19.881 19.000 0.366 0.000 1.217 156 A HN 0.143 nan 8.150 nan 0.000 0.477 157 L N 1.580 122.923 121.223 0.200 0.000 2.620 157 L HA 0.458 4.798 4.340 -0.000 0.000 0.261 157 L C -0.150 176.858 176.870 0.229 0.000 0.978 157 L CA 0.163 55.126 54.840 0.206 0.000 0.897 157 L CB 1.292 43.504 42.059 0.256 0.000 1.207 157 L HN 0.292 nan 8.230 nan 0.000 0.425 158 T N 0.259 114.864 114.554 0.085 0.000 2.849 158 T HA 0.352 4.702 4.350 -0.000 0.000 0.284 158 T C 1.259 175.801 174.700 -0.263 0.000 1.004 158 T CA 0.083 62.137 62.100 -0.078 0.000 1.021 158 T CB 1.093 69.906 68.868 -0.092 0.000 1.013 158 T HN 0.753 nan 8.240 nan 0.000 0.527 159 R N 0.502 120.527 120.500 -0.793 0.000 2.189 159 R HA -0.045 4.295 4.340 -0.000 0.000 0.223 159 R C 1.246 177.374 176.300 -0.287 0.000 1.092 159 R CA 1.436 56.981 56.100 -0.924 0.000 0.989 159 R CB -0.586 28.992 30.300 -1.204 0.000 0.876 159 R HN 0.600 nan 8.270 nan 0.000 0.457 160 D N 1.149 121.425 120.400 -0.207 0.000 2.123 160 D HA -0.116 4.524 4.640 -0.000 0.000 0.200 160 D C 1.575 177.844 176.300 -0.051 0.000 0.976 160 D CA 1.330 55.268 54.000 -0.102 0.000 0.831 160 D CB -0.080 40.668 40.800 -0.086 0.000 0.974 160 D HN 0.488 nan 8.370 nan 0.000 0.469 161 E N 0.691 120.868 120.200 -0.038 0.000 2.110 161 E HA -0.107 4.243 4.350 -0.000 0.000 0.193 161 E C 2.072 178.693 176.600 0.035 0.000 0.988 161 E CA 0.852 57.252 56.400 -0.001 0.000 0.804 161 E CB 0.027 29.732 29.700 0.008 0.000 0.745 161 E HN 0.155 nan 8.360 nan 0.000 0.458 162 A N 1.073 123.940 122.820 0.078 0.000 1.898 162 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 162 A C 2.166 179.802 177.584 0.086 0.000 1.181 162 A CA 0.959 53.080 52.037 0.140 0.000 0.620 162 A CB -0.577 18.616 19.000 0.322 0.000 0.819 162 A HN 0.135 nan 8.150 nan 0.000 0.442 163 L N -0.776 120.478 121.223 0.052 0.000 2.046 163 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 163 L C 3.135 180.014 176.870 0.014 0.000 1.077 163 L CA 1.005 55.863 54.840 0.030 0.000 0.747 163 L CB -0.562 41.499 42.059 0.003 0.000 0.896 163 L HN 0.460 nan 8.230 nan 0.000 0.432 164 A N 0.537 123.360 122.820 0.005 0.000 1.873 164 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 164 A C 2.186 179.770 177.584 0.001 0.000 1.193 164 A CA 1.882 53.918 52.037 -0.002 0.000 0.629 164 A CB -0.776 18.219 19.000 -0.008 0.000 0.826 164 A HN 0.360 nan 8.150 nan 0.000 0.447 165 I N -0.411 120.165 120.570 0.010 0.000 2.163 165 I HA -0.286 3.884 4.170 -0.000 0.000 0.243 165 I C 2.403 178.523 176.117 0.005 0.000 1.085 165 I CA 1.371 62.676 61.300 0.008 0.000 1.347 165 I CB -0.393 37.619 38.000 0.021 0.000 1.044 165 I HN 0.297 nan 8.210 nan 0.000 0.408 166 L N -0.023 121.209 121.223 0.015 0.000 2.131 166 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 166 L C 2.722 179.591 176.870 -0.002 0.000 1.092 166 L CA 1.286 56.132 54.840 0.009 0.000 0.759 166 L CB -0.510 41.564 42.059 0.024 0.000 0.903 166 L HN 0.170 nan 8.230 nan 0.000 0.435 167 R N -0.190 120.308 120.500 -0.002 0.000 2.073 167 R HA -0.108 4.232 4.340 -0.000 0.000 0.229 167 R C 1.701 177.992 176.300 -0.014 0.000 1.120 167 R CA 1.197 57.292 56.100 -0.009 0.000 0.967 167 R CB -0.182 30.114 30.300 -0.008 0.000 0.862 167 R HN 0.261 nan 8.270 nan 0.000 0.436 168 D N 0.076 120.468 120.400 -0.014 0.000 2.350 168 D HA -0.073 4.567 4.640 -0.000 0.000 0.216 168 D C 1.158 177.442 176.300 -0.026 0.000 0.968 168 D CA 0.945 54.934 54.000 -0.019 0.000 0.894 168 D CB 0.185 40.975 40.800 -0.017 0.000 0.909 168 D HN 0.282 nan 8.370 nan 0.000 0.520 169 A N -0.154 122.649 122.820 -0.029 0.000 2.197 169 A HA 0.023 4.343 4.320 -0.000 0.000 0.210 169 A C 1.939 179.496 177.584 -0.044 0.000 1.180 169 A CA 0.068 52.078 52.037 -0.045 0.000 0.846 169 A CB -0.107 18.863 19.000 -0.050 0.000 0.884 169 A HN 0.085 nan 8.150 nan 0.000 0.487 170 Q N 0.473 120.255 119.800 -0.031 0.000 2.152 170 Q HA -0.156 4.184 4.340 -0.000 0.000 0.206 170 Q C -0.836 175.148 176.000 -0.027 0.000 0.985 170 Q CA 2.215 58.002 55.803 -0.027 0.000 0.863 170 Q CB -0.740 27.985 28.738 -0.021 0.000 0.904 170 Q HN 0.469 nan 8.270 nan 0.000 0.422 171 P HA -0.145 nan 4.420 nan 0.000 0.215 171 P C 0.466 177.750 177.300 -0.027 0.000 1.153 171 P CA 1.325 64.410 63.100 -0.024 0.000 0.853 171 P CB 0.048 31.735 31.700 -0.022 0.000 0.788 172 Q N -1.517 118.258 119.800 -0.042 0.000 2.444 172 Q HA 0.086 4.426 4.340 -0.000 0.000 0.206 172 Q C 1.858 177.823 176.000 -0.058 0.000 0.948 172 Q CA 0.359 56.131 55.803 -0.052 0.000 0.946 172 Q CB -0.437 28.254 28.738 -0.078 0.000 1.027 172 Q HN 0.147 nan 8.270 nan 0.000 0.513 173 R N 0.229 120.703 120.500 -0.044 0.000 2.105 173 R HA -0.145 4.195 4.340 -0.000 0.000 0.239 173 R C 2.028 178.336 176.300 0.013 0.000 1.135 173 R CA 1.509 57.595 56.100 -0.024 0.000 0.967 173 R CB -0.385 29.907 30.300 -0.013 0.000 0.861 173 R HN 0.331 nan 8.270 nan 0.000 0.442 174 A N 0.683 123.510 122.820 0.012 0.000 1.877 174 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 174 A C 2.313 179.924 177.584 0.045 0.000 1.186 174 A CA 1.682 53.737 52.037 0.031 0.000 0.620 174 A CB -0.787 18.223 19.000 0.018 0.000 0.822 174 A HN 0.413 nan 8.150 nan 0.000 0.443 175 A N 0.055 122.890 122.820 0.025 0.000 1.845 175 A HA -0.163 4.157 4.320 -0.000 0.000 0.215 175 A C 2.217 179.838 177.584 0.061 0.000 1.195 175 A CA 1.526 53.583 52.037 0.033 0.000 0.616 175 A CB -0.566 18.440 19.000 0.011 0.000 0.832 175 A HN 0.542 nan 8.150 nan 0.000 0.443 176 R N -0.795 119.716 120.500 0.019 0.000 2.117 176 R HA -0.117 4.223 4.340 -0.000 0.000 0.243 176 R C 2.218 178.657 176.300 0.232 0.000 1.143 176 R CA 1.803 57.931 56.100 0.047 0.000 0.968 176 R CB -0.974 29.131 30.300 -0.327 0.000 0.863 176 R HN 0.539 nan 8.270 nan 0.000 0.444 177 T N 0.971 115.644 114.554 0.198 0.000 2.720 177 T HA -0.158 4.192 4.350 -0.000 0.000 0.268 177 T C 1.991 176.845 174.700 0.256 0.000 1.037 177 T CA 1.531 63.816 62.100 0.308 0.000 1.144 177 T CB -0.237 68.790 68.868 0.265 0.000 0.864 177 T HN 0.428 nan 8.240 nan 0.000 0.444 178 A N 1.350 124.272 122.820 0.170 0.000 1.873 178 A HA -0.115 4.205 4.320 -0.000 0.000 0.215 178 A C 2.575 180.224 177.584 0.109 0.000 1.186 178 A CA 2.107 54.220 52.037 0.127 0.000 0.616 178 A CB -1.339 17.714 19.000 0.087 0.000 0.823 178 A HN 0.473 nan 8.150 nan 0.000 0.442 179 T N 0.470 115.097 114.554 0.122 0.000 2.665 179 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 179 T C 1.844 176.567 174.700 0.040 0.000 1.035 179 T CA 1.463 63.620 62.100 0.096 0.000 1.151 179 T CB -0.449 68.521 68.868 0.170 0.000 0.862 179 T HN 0.353 nan 8.240 nan 0.000 0.438 180 L N 0.483 121.752 121.223 0.076 0.000 2.017 180 L HA -0.057 4.283 4.340 -0.000 0.000 0.208 180 L C 2.392 179.210 176.870 -0.086 0.000 1.073 180 L CA 1.704 56.495 54.840 -0.083 0.000 0.745 180 L CB -0.402 41.597 42.059 -0.100 0.000 0.894 180 L HN 0.316 nan 8.230 nan 0.000 0.432 181 I N -0.367 120.215 120.570 0.019 0.000 2.454 181 I HA -0.298 3.872 4.170 -0.000 0.000 0.254 181 I C 2.459 178.589 176.117 0.022 0.000 1.156 181 I CA 1.248 62.582 61.300 0.057 0.000 1.433 181 I CB -0.209 37.887 38.000 0.161 0.000 1.082 181 I HN 0.448 nan 8.210 nan 0.000 0.432 182 E N 0.656 120.861 120.200 0.009 0.000 2.127 182 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 182 E C 1.950 178.527 176.600 -0.038 0.000 0.964 182 E CA 0.598 56.994 56.400 -0.006 0.000 0.832 182 E CB 0.230 29.932 29.700 0.004 0.000 0.790 182 E HN 0.536 nan 8.360 nan 0.000 0.465 183 Q N -0.288 119.474 119.800 -0.064 0.000 2.396 183 Q HA 0.222 4.562 4.340 -0.000 0.000 0.209 183 Q C 0.645 176.574 176.000 -0.119 0.000 0.906 183 Q CA 0.296 56.043 55.803 -0.094 0.000 0.927 183 Q CB 1.400 30.071 28.738 -0.112 0.000 1.069 183 Q HN 0.302 nan 8.270 nan 0.000 0.523 184 G N 0.979 109.700 108.800 -0.131 0.000 2.796 184 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.571 184 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.571 184 G C -1.431 173.380 174.900 -0.148 0.000 1.370 184 G CA -0.583 44.446 45.100 -0.119 0.000 0.856 184 G HN 0.206 nan 8.290 nan 0.000 0.538 185 Y N 1.130 121.313 120.300 -0.195 0.000 2.377 185 Y HA 0.609 5.159 4.550 -0.000 0.000 0.339 185 Y C -1.970 173.885 175.900 -0.074 0.000 1.011 185 Y CA -2.180 55.794 58.100 -0.210 0.000 1.093 185 Y CB 2.059 40.373 38.460 -0.244 0.000 1.201 185 Y HN 0.476 nan 8.280 nan 0.000 0.455 186 P HA 0.169 nan 4.420 nan 0.000 0.264 186 P C -1.316 176.193 177.300 0.347 0.000 1.183 186 P CA 0.494 63.663 63.100 0.115 0.000 0.763 186 P CB 0.610 32.302 31.700 -0.014 0.000 0.807 187 A N 3.448 126.448 122.820 0.300 0.000 2.430 187 A HA 0.839 5.159 4.320 -0.000 0.000 0.300 187 A C -1.489 176.434 177.584 0.565 0.000 1.124 187 A CA -0.521 51.771 52.037 0.425 0.000 0.766 187 A CB 1.170 20.301 19.000 0.217 0.000 1.328 187 A HN 0.607 nan 8.150 nan 0.000 0.424 188 Y N -1.074 119.502 120.300 0.460 0.000 2.534 188 Y HA 0.751 5.301 4.550 -0.000 0.000 0.345 188 Y C -0.303 175.660 175.900 0.105 0.000 1.031 188 Y CA -0.575 57.730 58.100 0.341 0.000 1.022 188 Y CB 1.315 39.981 38.460 0.344 0.000 1.292 188 Y HN 0.711 nan 8.280 nan 0.000 0.459 189 T N -0.426 114.068 114.554 -0.100 0.000 2.895 189 T HA 0.487 4.837 4.350 -0.000 0.000 0.283 189 T C 0.014 174.639 174.700 -0.125 0.000 1.014 189 T CA -0.619 61.285 62.100 -0.325 0.000 1.037 189 T CB 1.747 70.192 68.868 -0.705 0.000 1.006 189 T HN 0.784 nan 8.240 nan 0.000 0.468 190 T N 0.483 114.903 114.554 -0.223 0.000 3.043 190 T HA 0.147 4.497 4.350 -0.000 0.000 0.272 190 T C 2.062 176.444 174.700 -0.529 0.000 0.990 190 T CA -0.193 61.693 62.100 -0.358 0.000 0.897 190 T CB 0.073 68.688 68.868 -0.422 0.000 1.111 190 T HN 0.556 nan 8.240 nan 0.000 0.529 191 S N 2.773 118.350 115.700 -0.206 0.000 2.383 191 S HA -0.060 4.410 4.470 -0.000 0.000 0.229 191 S C -0.381 174.294 174.600 0.124 0.000 1.030 191 S CA 1.201 59.455 58.200 0.090 0.000 1.002 191 S CB -0.718 62.577 63.200 0.158 0.000 0.829 191 S HN 0.540 nan 8.310 nan 0.000 0.467 192 P HA 0.134 nan 4.420 nan 0.000 0.240 192 P C 1.018 178.354 177.300 0.060 0.000 1.190 192 P CA 0.785 63.941 63.100 0.094 0.000 0.781 192 P CB -0.193 31.510 31.700 0.006 0.000 0.931 193 G N -0.960 107.712 108.800 -0.213 0.000 3.088 193 G HA2 0.032 3.992 3.960 -0.000 0.000 0.217 193 G HA3 0.032 3.992 3.960 -0.000 0.000 0.217 193 G C -0.109 174.593 174.900 -0.331 0.000 1.159 193 G CA -0.432 44.513 45.100 -0.260 0.000 0.760 193 G HN 0.132 nan 8.290 nan 0.000 0.550 194 W N 0.675 121.832 121.300 -0.239 0.000 2.193 194 W HA 0.403 5.063 4.660 -0.000 0.000 0.338 194 W C 0.758 177.020 176.519 -0.429 0.000 1.310 194 W CA -0.910 56.176 57.345 -0.431 0.000 1.243 194 W CB 0.617 29.643 29.460 -0.723 0.000 1.165 194 W HN -0.156 nan 8.180 nan 0.000 0.566 195 L N 2.869 124.097 121.223 0.008 0.000 2.452 195 L HA 0.369 4.709 4.340 -0.000 0.000 0.267 195 L C 1.435 178.285 176.870 -0.033 0.000 1.188 195 L CA 0.946 55.786 54.840 -0.001 0.000 0.821 195 L CB 0.358 42.436 42.059 0.032 0.000 1.102 195 L HN 0.942 nan 8.230 nan 0.000 0.470 196 G N 0.514 109.335 108.800 0.036 0.000 2.313 196 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.215 196 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.215 196 G C -0.021 174.996 174.900 0.196 0.000 1.023 196 G CA -0.578 44.566 45.100 0.073 0.000 0.626 196 G HN 0.373 nan 8.290 nan 0.000 0.503 197 Y N 2.954 123.305 120.300 0.084 0.000 2.480 197 Y HA 0.484 5.034 4.550 -0.000 0.000 0.338 197 Y C 1.530 177.457 175.900 0.045 0.000 1.220 197 Y CA -0.741 57.400 58.100 0.068 0.000 1.430 197 Y CB 0.667 39.178 38.460 0.085 0.000 1.311 197 Y HN 0.504 nan 8.280 nan 0.000 0.575 198 S N 0.672 116.478 115.700 0.177 0.000 2.614 198 S HA 0.115 4.585 4.470 -0.000 0.000 0.265 198 S C 0.618 175.263 174.600 0.075 0.000 1.303 198 S CA -0.683 57.573 58.200 0.094 0.000 1.000 198 S CB 0.926 64.155 63.200 0.049 0.000 0.935 198 S HN 0.554 nan 8.310 nan 0.000 0.551 199 D N 1.189 121.616 120.400 0.046 0.000 2.149 199 D HA -0.090 4.550 4.640 -0.000 0.000 0.198 199 D C 1.743 178.050 176.300 0.012 0.000 0.990 199 D CA 1.601 55.616 54.000 0.025 0.000 0.839 199 D CB -0.414 40.390 40.800 0.007 0.000 0.948 199 D HN 0.704 nan 8.370 nan 0.000 0.460 200 E N 0.675 120.878 120.200 0.005 0.000 2.051 200 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 200 E C 1.900 178.486 176.600 -0.023 0.000 0.991 200 E CA 0.925 57.320 56.400 -0.009 0.000 0.799 200 E CB -0.177 29.516 29.700 -0.011 0.000 0.748 200 E HN 0.252 nan 8.360 nan 0.000 0.449 201 K N 0.455 120.834 120.400 -0.034 0.000 2.097 201 K HA -0.070 4.250 4.320 -0.000 0.000 0.205 201 K C 2.081 178.643 176.600 -0.064 0.000 1.050 201 K CA 0.674 56.902 56.287 -0.097 0.000 0.938 201 K CB -0.118 32.262 32.500 -0.200 0.000 0.718 201 K HN 0.149 nan 8.250 nan 0.000 0.442 202 L N 1.279 122.513 121.223 0.018 0.000 1.994 202 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 202 L C 2.342 179.218 176.870 0.011 0.000 1.071 202 L CA 1.937 56.812 54.840 0.057 0.000 0.745 202 L CB -0.478 41.620 42.059 0.067 0.000 0.892 202 L HN 0.201 nan 8.230 nan 0.000 0.431 203 V N -2.269 117.642 119.914 -0.004 0.000 2.392 203 V HA -0.279 3.841 4.120 -0.000 0.000 0.249 203 V C 2.645 178.732 176.094 -0.012 0.000 1.059 203 V CA 2.000 64.292 62.300 -0.012 0.000 1.051 203 V CB -1.055 30.759 31.823 -0.016 0.000 0.658 203 V HN 0.488 nan 8.190 nan 0.000 0.455 204 R N -0.530 119.958 120.500 -0.020 0.000 2.062 204 R HA -0.060 4.280 4.340 -0.000 0.000 0.231 204 R C 2.296 178.586 176.300 -0.016 0.000 1.136 204 R CA 1.745 57.832 56.100 -0.021 0.000 0.948 204 R CB -0.334 29.945 30.300 -0.036 0.000 0.845 204 R HN 0.453 nan 8.270 nan 0.000 0.430 205 L N 0.716 121.925 121.223 -0.024 0.000 2.083 205 L HA -0.103 4.237 4.340 -0.000 0.000 0.209 205 L C 2.433 179.307 176.870 0.007 0.000 1.083 205 L CA 1.961 56.796 54.840 -0.007 0.000 0.752 205 L CB -1.032 41.025 42.059 -0.002 0.000 0.899 205 L HN 0.273 nan 8.230 nan 0.000 0.433 206 A N -0.886 121.935 122.820 0.002 0.000 1.902 206 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 206 A C 2.372 179.964 177.584 0.013 0.000 1.181 206 A CA 1.705 53.742 52.037 -0.000 0.000 0.623 206 A CB -0.370 18.625 19.000 -0.009 0.000 0.818 206 A HN 0.376 nan 8.150 nan 0.000 0.443 207 K N -0.265 120.142 120.400 0.011 0.000 2.057 207 K HA -0.134 4.186 4.320 -0.000 0.000 0.206 207 K C 1.978 178.596 176.600 0.029 0.000 1.050 207 K CA 1.553 57.850 56.287 0.017 0.000 0.935 207 K CB -0.175 32.330 32.500 0.009 0.000 0.715 207 K HN 0.618 nan 8.250 nan 0.000 0.439 208 E N 0.599 120.816 120.200 0.029 0.000 2.077 208 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 208 E C 2.107 178.756 176.600 0.081 0.000 0.989 208 E CA 1.009 57.435 56.400 0.044 0.000 0.800 208 E CB -0.146 29.577 29.700 0.038 0.000 0.746 208 E HN 0.327 nan 8.360 nan 0.000 0.452 209 A N 1.162 124.036 122.820 0.090 0.000 1.865 209 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 209 A C 2.555 180.271 177.584 0.219 0.000 1.191 209 A CA 1.530 53.670 52.037 0.172 0.000 0.623 209 A CB -0.863 18.159 19.000 0.037 0.000 0.826 209 A HN 0.128 nan 8.150 nan 0.000 0.444 210 V N -0.201 119.779 119.914 0.110 0.000 2.343 210 V HA -0.254 3.866 4.120 -0.000 0.000 0.247 210 V C 3.046 179.153 176.094 0.022 0.000 1.051 210 V CA 2.001 64.344 62.300 0.073 0.000 1.036 210 V CB -1.246 30.606 31.823 0.048 0.000 0.654 210 V HN 0.635 nan 8.190 nan 0.000 0.451 211 A N -0.381 122.454 122.820 0.026 0.000 1.972 211 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 211 A C 1.851 179.402 177.584 -0.054 0.000 1.169 211 A CA 1.859 53.901 52.037 0.008 0.000 0.635 211 A CB -0.503 18.512 19.000 0.025 0.000 0.810 211 A HN 0.542 nan 8.150 nan 0.000 0.446 212 D N -1.474 118.887 120.400 -0.065 0.000 2.363 212 D HA 0.225 4.865 4.640 -0.000 0.000 0.226 212 D C 1.439 177.334 176.300 -0.675 0.000 1.020 212 D CA 1.211 55.090 54.000 -0.201 0.000 0.892 212 D CB 0.171 40.977 40.800 0.010 0.000 0.900 212 D HN 0.615 nan 8.370 nan 0.000 0.531 213 G N 0.108 108.514 108.800 -0.656 0.000 2.195 213 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.224 213 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.224 213 G C 0.208 174.836 174.900 -0.454 0.000 0.990 213 G CA -0.562 43.989 45.100 -0.914 0.000 0.639 213 G HN 0.253 nan 8.290 nan 0.000 0.514 214 F N 1.646 121.488 119.950 -0.180 0.000 2.543 214 F HA 0.422 4.949 4.527 -0.000 0.000 0.375 214 F C 1.805 177.602 175.800 -0.005 0.000 1.075 214 F CA -0.204 57.763 58.000 -0.055 0.000 1.225 214 F CB 0.723 39.720 39.000 -0.005 0.000 1.099 214 F HN -0.125 nan 8.300 nan 0.000 0.561 215 R N 1.204 121.827 120.500 0.204 0.000 2.334 215 R HA 0.184 4.524 4.340 -0.000 0.000 0.216 215 R C -0.253 176.153 176.300 0.176 0.000 0.905 215 R CA 0.232 56.422 56.100 0.150 0.000 1.064 215 R CB 0.008 30.377 30.300 0.113 0.000 1.046 215 R HN 0.531 nan 8.270 nan 0.000 0.508 216 T N 0.505 115.207 114.554 0.246 0.000 2.956 216 T HA 0.517 4.867 4.350 -0.000 0.000 0.312 216 T C -0.807 174.001 174.700 0.179 0.000 1.151 216 T CA -0.463 61.750 62.100 0.189 0.000 1.024 216 T CB 2.427 71.443 68.868 0.247 0.000 1.140 216 T HN 0.015 nan 8.240 nan 0.000 0.473 217 I N 1.391 121.977 120.570 0.026 0.000 2.969 217 I HA 0.752 4.922 4.170 -0.000 0.000 0.307 217 I C -1.720 174.312 176.117 -0.142 0.000 1.149 217 I CA -0.999 60.295 61.300 -0.009 0.000 1.008 217 I CB 2.269 40.243 38.000 -0.043 0.000 1.232 217 I HN 0.524 nan 8.210 nan 0.000 0.435 218 K N 6.546 126.872 120.400 -0.123 0.000 2.482 218 K HA 0.614 4.934 4.320 -0.000 0.000 0.251 218 K C -2.006 174.447 176.600 -0.245 0.000 0.936 218 K CA -0.647 55.495 56.287 -0.241 0.000 0.791 218 K CB 1.906 34.312 32.500 -0.156 0.000 1.213 218 K HN 0.586 nan 8.250 nan 0.000 0.428 219 L N 3.054 124.132 121.223 -0.242 0.000 2.330 219 L HA 0.547 4.887 4.340 -0.000 0.000 0.271 219 L C -0.132 176.621 176.870 -0.194 0.000 1.013 219 L CA -1.364 53.352 54.840 -0.208 0.000 0.816 219 L CB 1.547 43.527 42.059 -0.132 0.000 1.287 219 L HN 0.427 nan 8.230 nan 0.000 0.435 220 K N 2.030 122.323 120.400 -0.179 0.000 2.174 220 K HA 0.622 4.942 4.320 -0.000 0.000 0.275 220 K C -0.289 176.276 176.600 -0.059 0.000 1.015 220 K CA -0.266 55.944 56.287 -0.128 0.000 0.933 220 K CB 2.180 34.629 32.500 -0.084 0.000 1.025 220 K HN 0.528 nan 8.250 nan 0.000 0.463 221 V N -3.016 116.858 119.914 -0.067 0.000 3.103 221 V HA 0.855 4.975 4.120 -0.000 0.000 0.311 221 V C 0.593 176.623 176.094 -0.107 0.000 1.322 221 V CA -0.039 62.280 62.300 0.033 0.000 1.063 221 V CB 1.332 33.249 31.823 0.156 0.000 1.090 221 V HN 0.810 nan 8.190 nan 0.000 0.462 222 G N -1.109 107.696 108.800 0.007 0.000 2.231 222 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.206 222 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.206 222 G C 0.790 175.651 174.900 -0.065 0.000 0.996 222 G CA 1.011 45.871 45.100 -0.400 0.000 0.645 222 G HN 1.947 nan 8.290 nan 0.000 0.498 223 A N -0.408 122.543 122.820 0.218 0.000 1.924 223 A HA 0.508 4.828 4.320 -0.000 0.000 0.211 223 A C 0.947 178.817 177.584 0.477 0.000 1.198 223 A CA 1.619 53.814 52.037 0.263 0.000 0.657 223 A CB 0.120 19.209 19.000 0.147 0.000 0.852 223 A HN 0.733 nan 8.150 nan 0.000 0.454 224 N N -0.204 118.813 118.700 0.529 0.000 2.454 224 N HA 0.263 5.003 4.740 -0.000 0.000 0.291 224 N C 0.674 176.282 175.510 0.163 0.000 1.079 224 N CA 0.130 53.369 53.050 0.316 0.000 0.893 224 N CB 2.188 40.767 38.487 0.153 0.000 1.512 224 N HN -0.073 nan 8.380 nan 0.000 0.497 225 V N 2.954 122.603 119.914 -0.442 0.000 2.255 225 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 225 V C 2.200 178.135 176.094 -0.265 0.000 1.051 225 V CA 1.529 63.363 62.300 -0.777 0.000 1.018 225 V CB -0.750 30.434 31.823 -1.065 0.000 0.641 225 V HN 0.596 nan 8.190 nan 0.000 0.445 226 Q N 0.626 120.320 119.800 -0.178 0.000 2.045 226 Q HA -0.217 4.123 4.340 -0.000 0.000 0.206 226 Q C 2.050 178.037 176.000 -0.022 0.000 0.991 226 Q CA 2.283 58.038 55.803 -0.081 0.000 0.851 226 Q CB -0.872 27.832 28.738 -0.057 0.000 0.911 226 Q HN 0.695 nan 8.270 nan 0.000 0.418 227 D N 0.157 120.566 120.400 0.016 0.000 2.104 227 D HA -0.144 4.496 4.640 -0.000 0.000 0.194 227 D C 1.383 177.719 176.300 0.060 0.000 0.994 227 D CA 1.326 55.354 54.000 0.047 0.000 0.830 227 D CB -0.311 40.540 40.800 0.085 0.000 0.959 227 D HN 0.251 nan 8.370 nan 0.000 0.452 228 D N 0.208 120.683 120.400 0.126 0.000 2.123 228 D HA -0.102 4.538 4.640 -0.000 0.000 0.196 228 D C 2.319 178.671 176.300 0.088 0.000 0.992 228 D CA 0.424 54.529 54.000 0.174 0.000 0.833 228 D CB -0.309 40.738 40.800 0.412 0.000 0.954 228 D HN 0.285 nan 8.370 nan 0.000 0.455 229 I N 0.464 121.074 120.570 0.067 0.000 2.179 229 I HA -0.256 3.914 4.170 -0.000 0.000 0.242 229 I C 2.640 178.691 176.117 -0.110 0.000 1.088 229 I CA 0.974 62.329 61.300 0.092 0.000 1.357 229 I CB -0.187 37.877 38.000 0.107 0.000 1.051 229 I HN -0.057 nan 8.210 nan 0.000 0.409 230 R N 1.210 121.666 120.500 -0.073 0.000 2.073 230 R HA -0.162 4.178 4.340 -0.000 0.000 0.234 230 R C 2.487 178.690 176.300 -0.162 0.000 1.134 230 R CA 1.522 57.557 56.100 -0.109 0.000 0.952 230 R CB -0.132 30.140 30.300 -0.046 0.000 0.850 230 R HN 0.204 nan 8.270 nan 0.000 0.433 231 R N -0.487 119.949 120.500 -0.107 0.000 2.081 231 R HA -0.107 4.233 4.340 -0.000 0.000 0.235 231 R C 2.476 178.668 176.300 -0.180 0.000 1.131 231 R CA 1.686 57.727 56.100 -0.099 0.000 0.960 231 R CB -0.403 29.880 30.300 -0.029 0.000 0.856 231 R HN 0.324 nan 8.270 nan 0.000 0.436 232 C N -0.235 118.909 119.300 -0.260 0.000 2.440 232 C HA -0.012 4.448 4.460 -0.000 0.000 0.278 232 C C 2.645 177.223 174.990 -0.686 0.000 1.295 232 C CA 0.329 59.127 59.018 -0.367 0.000 1.738 232 C CB -0.772 26.822 27.740 -0.243 0.000 1.987 232 C HN 0.467 nan 8.230 nan 0.000 0.492 233 R N 0.578 120.459 120.500 -1.032 0.000 2.066 233 R HA -0.056 4.284 4.340 -0.000 0.000 0.232 233 R C 2.139 178.229 176.300 -0.350 0.000 1.131 233 R CA 1.338 56.891 56.100 -0.911 0.000 0.955 233 R CB -0.360 29.535 30.300 -0.675 0.000 0.851 233 R HN 0.476 nan 8.270 nan 0.000 0.432 234 L N 0.214 121.286 121.223 -0.251 0.000 2.046 234 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 234 L C 2.677 179.485 176.870 -0.104 0.000 1.077 234 L CA 1.409 56.170 54.840 -0.132 0.000 0.747 234 L CB -0.486 41.517 42.059 -0.094 0.000 0.896 234 L HN 0.325 nan 8.230 nan 0.000 0.432 235 A N -0.078 122.669 122.820 -0.121 0.000 1.929 235 A HA -0.215 4.105 4.320 -0.000 0.000 0.216 235 A C 2.290 179.832 177.584 -0.070 0.000 1.176 235 A CA 1.455 53.443 52.037 -0.082 0.000 0.628 235 A CB -0.411 18.538 19.000 -0.085 0.000 0.816 235 A HN 0.293 nan 8.150 nan 0.000 0.444 236 R N 0.732 121.176 120.500 -0.094 0.000 2.091 236 R HA -0.073 4.267 4.340 -0.000 0.000 0.238 236 R C 2.024 178.314 176.300 -0.017 0.000 1.136 236 R CA 2.245 58.324 56.100 -0.036 0.000 0.959 236 R CB -1.104 29.195 30.300 -0.001 0.000 0.856 236 R HN 0.364 nan 8.270 nan 0.000 0.437 237 A N 0.173 122.974 122.820 -0.031 0.000 1.930 237 A HA 0.069 4.389 4.320 -0.000 0.000 0.217 237 A C 2.379 179.956 177.584 -0.010 0.000 1.175 237 A CA 1.651 53.680 52.037 -0.013 0.000 0.627 237 A CB -0.970 18.018 19.000 -0.020 0.000 0.815 237 A HN 0.502 nan 8.150 nan 0.000 0.443 238 A N -0.729 122.079 122.820 -0.019 0.000 1.969 238 A HA 0.005 4.325 4.320 -0.000 0.000 0.218 238 A C 1.943 179.526 177.584 -0.001 0.000 1.169 238 A CA 1.626 53.657 52.037 -0.010 0.000 0.635 238 A CB -0.415 18.576 19.000 -0.015 0.000 0.810 238 A HN 0.403 nan 8.150 nan 0.000 0.445 239 I N -1.616 118.953 120.570 -0.002 0.000 2.584 239 I HA 0.245 4.415 4.170 -0.000 0.000 0.255 239 I C 1.350 177.476 176.117 0.015 0.000 1.145 239 I CA 1.269 62.574 61.300 0.008 0.000 1.462 239 I CB -0.318 37.683 38.000 0.002 0.000 1.102 239 I HN 0.545 nan 8.210 nan 0.000 0.433 240 G N 0.479 109.288 108.800 0.014 0.000 2.661 240 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.685 240 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.685 240 G C -2.162 172.753 174.900 0.025 0.000 1.298 240 G CA -0.209 44.903 45.100 0.020 0.000 0.855 240 G HN 0.034 nan 8.290 nan 0.000 0.560 241 P HA 0.121 nan 4.420 nan 0.000 0.236 241 P C 0.467 177.787 177.300 0.032 0.000 1.177 241 P CA 1.284 64.403 63.100 0.032 0.000 0.773 241 P CB 0.248 31.966 31.700 0.030 0.000 0.878 242 D N -0.462 119.957 120.400 0.032 0.000 2.346 242 D HA 0.068 4.708 4.640 -0.000 0.000 0.206 242 D C 0.927 177.252 176.300 0.042 0.000 1.001 242 D CA 0.352 54.373 54.000 0.036 0.000 0.871 242 D CB 0.248 41.068 40.800 0.034 0.000 0.943 242 D HN 0.169 nan 8.370 nan 0.000 0.518 243 I N 1.651 122.244 120.570 0.039 0.000 2.428 243 I HA 0.299 4.469 4.170 -0.000 0.000 0.289 243 I C 0.999 177.135 176.117 0.031 0.000 1.019 243 I CA -0.988 60.339 61.300 0.044 0.000 1.351 243 I CB 0.741 38.766 38.000 0.041 0.000 1.412 243 I HN -0.188 nan 8.210 nan 0.000 0.513 247 V N 1.099 120.669 119.914 -0.572 0.000 2.823 247 V HA 0.754 4.874 4.120 -0.000 0.000 0.312 247 V C -1.431 174.534 176.094 -0.216 0.000 1.072 247 V CA -0.316 61.818 62.300 -0.276 0.000 0.937 247 V CB 2.109 33.871 31.823 -0.101 0.000 1.013 247 V HN 0.942 nan 8.190 nan 0.000 0.430 248 D N 2.690 122.995 120.400 -0.158 0.000 2.686 248 D HA 0.565 5.205 4.640 -0.000 0.000 0.249 248 D C 0.164 176.327 176.300 -0.230 0.000 1.260 248 D CA -0.113 53.804 54.000 -0.138 0.000 0.910 248 D CB 2.241 42.985 40.800 -0.093 0.000 1.323 248 D HN 0.568 nan 8.370 nan 0.000 0.561 249 A N 3.610 126.199 122.820 -0.384 0.000 2.308 249 A HA 0.129 4.449 4.320 -0.000 0.000 0.217 249 A C 0.821 178.059 177.584 -0.577 0.000 1.216 249 A CA -0.162 51.438 52.037 -0.727 0.000 0.864 249 A CB -0.281 17.730 19.000 -1.648 0.000 0.902 249 A HN 0.700 nan 8.150 nan 0.000 0.499 250 N N 0.636 119.130 118.700 -0.344 0.000 2.699 250 N HA -0.246 4.494 4.740 -0.000 0.000 0.256 250 N C -0.278 175.056 175.510 -0.293 0.000 0.993 250 N CA 1.314 54.204 53.050 -0.267 0.000 0.759 250 N CB -1.252 37.121 38.487 -0.191 0.000 0.906 250 N HN 0.802 nan 8.380 nan 0.000 0.541 251 Q N -3.385 116.234 119.800 -0.302 0.000 2.416 251 Q HA -0.293 4.047 4.340 -0.000 0.000 0.235 251 Q C 0.947 176.778 176.000 -0.281 0.000 0.773 251 Q CA 1.257 56.920 55.803 -0.233 0.000 1.286 251 Q CB -0.680 27.972 28.738 -0.144 0.000 1.556 251 Q HN 0.431 nan 8.270 nan 0.000 0.650 252 R N 0.091 120.299 120.500 -0.486 0.000 2.075 252 R HA -0.045 4.295 4.340 -0.000 0.000 0.232 252 R C 0.927 177.066 176.300 -0.268 0.000 1.126 252 R CA 1.142 56.971 56.100 -0.453 0.000 0.963 252 R CB -0.185 29.713 30.300 -0.670 0.000 0.858 252 R HN 0.315 nan 8.270 nan 0.000 0.435 253 W N 1.844 123.020 121.300 -0.206 0.000 2.215 253 W HA 0.196 4.856 4.660 -0.000 0.000 0.342 253 W C 0.301 176.749 176.519 -0.118 0.000 1.237 253 W CA -1.148 56.094 57.345 -0.172 0.000 1.283 253 W CB -0.133 29.191 29.460 -0.227 0.000 1.131 253 W HN -0.059 nan 8.180 nan 0.000 0.606 254 D N -0.656 119.850 120.400 0.176 0.000 2.432 254 D HA 0.183 4.823 4.640 -0.000 0.000 0.258 254 D C 1.300 177.633 176.300 0.055 0.000 1.146 254 D CA -0.512 53.532 54.000 0.074 0.000 1.015 254 D CB 1.345 42.178 40.800 0.055 0.000 1.107 254 D HN -0.084 nan 8.370 nan 0.000 0.529 255 V N 0.623 120.544 119.914 0.011 0.000 2.255 255 V HA -0.143 3.977 4.120 -0.000 0.000 0.247 255 V C 2.216 178.302 176.094 -0.014 0.000 1.051 255 V CA 2.461 64.755 62.300 -0.011 0.000 1.018 255 V CB -0.884 30.928 31.823 -0.018 0.000 0.641 255 V HN 0.733 nan 8.190 nan 0.000 0.445 256 G N 0.347 109.142 108.800 -0.008 0.000 2.480 256 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.216 256 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.216 256 G C -0.192 174.687 174.900 -0.035 0.000 1.200 256 G CA 1.175 46.265 45.100 -0.017 0.000 0.782 256 G HN 0.500 nan 8.290 nan 0.000 0.554 257 P HA -0.043 nan 4.420 nan 0.000 0.216 257 P C 2.184 179.349 177.300 -0.225 0.000 1.150 257 P CA 1.907 64.977 63.100 -0.051 0.000 0.837 257 P CB -0.129 31.592 31.700 0.035 0.000 0.786 258 A N -0.842 121.844 122.820 -0.222 0.000 1.902 258 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 258 A C 2.178 179.581 177.584 -0.301 0.000 1.181 258 A CA 1.452 53.253 52.037 -0.393 0.000 0.623 258 A CB -1.559 17.466 19.000 0.041 0.000 0.818 258 A HN 0.118 nan 8.150 nan 0.000 0.443 259 I N -0.265 120.221 120.570 -0.140 0.000 2.163 259 I HA -0.216 3.954 4.170 -0.000 0.000 0.240 259 I C 1.895 177.956 176.117 -0.093 0.000 1.081 259 I CA 1.479 62.726 61.300 -0.089 0.000 1.353 259 I CB -0.476 37.493 38.000 -0.051 0.000 1.054 259 I HN 0.228 nan 8.210 nan 0.000 0.407 260 D N 0.009 120.354 120.400 -0.092 0.000 2.144 260 D HA -0.176 4.464 4.640 -0.000 0.000 0.199 260 D C 0.866 177.114 176.300 -0.086 0.000 0.984 260 D CA 0.688 54.639 54.000 -0.081 0.000 0.834 260 D CB -0.182 40.574 40.800 -0.073 0.000 0.955 260 D HN 0.256 nan 8.370 nan 0.000 0.465 264 Q N 0.711 120.475 119.800 -0.060 0.000 2.424 264 Q HA 0.209 4.549 4.340 -0.000 0.000 0.204 264 Q C 1.580 177.553 176.000 -0.045 0.000 0.933 264 Q CA 0.736 56.490 55.803 -0.081 0.000 0.929 264 Q CB 0.491 29.160 28.738 -0.115 0.000 1.037 264 Q HN 0.271 nan 8.270 nan 0.000 0.511 265 L N -0.789 120.452 121.223 0.031 0.000 2.590 265 L HA 0.235 4.575 4.340 -0.000 0.000 0.227 265 L C 2.187 179.055 176.870 -0.004 0.000 1.099 265 L CA 0.108 55.030 54.840 0.137 0.000 0.872 265 L CB -0.202 42.014 42.059 0.261 0.000 1.088 265 L HN 0.108 nan 8.230 nan 0.000 0.479 266 A N 1.739 124.517 122.820 -0.070 0.000 1.958 266 A HA -0.271 4.049 4.320 -0.000 0.000 0.221 266 A C 2.175 179.660 177.584 -0.165 0.000 1.178 266 A CA 2.217 54.205 52.037 -0.082 0.000 0.642 266 A CB -0.506 18.451 19.000 -0.072 0.000 0.816 266 A HN 0.663 nan 8.150 nan 0.000 0.453 267 E N -1.035 118.947 120.200 -0.363 0.000 2.265 267 E HA -0.164 4.186 4.350 -0.000 0.000 0.196 267 E C 1.114 177.489 176.600 -0.374 0.000 0.996 267 E CA 1.107 57.248 56.400 -0.431 0.000 0.832 267 E CB -0.532 28.806 29.700 -0.604 0.000 0.756 267 E HN 0.715 nan 8.360 nan 0.000 0.491 268 F N 1.481 121.427 119.950 -0.006 0.000 2.731 268 F HA 0.127 4.654 4.527 -0.000 0.000 0.304 268 F C -0.008 175.783 175.800 -0.015 0.000 1.133 268 F CA -0.093 57.902 58.000 -0.010 0.000 1.380 268 F CB 0.020 39.014 39.000 -0.009 0.000 1.079 268 F HN -0.123 nan 8.300 nan 0.000 0.550 269 D N 2.007 122.456 120.400 0.082 0.000 3.620 269 D HA -0.183 4.457 4.640 -0.000 0.000 0.237 269 D C -0.660 175.665 176.300 0.041 0.000 1.111 269 D CA 0.176 54.205 54.000 0.049 0.000 1.070 269 D CB -0.578 40.251 40.800 0.049 0.000 0.891 269 D HN -0.021 nan 8.370 nan 0.000 0.412 270 I N 2.203 122.790 120.570 0.028 0.000 2.352 270 I HA 0.317 4.487 4.170 -0.000 0.000 0.290 270 I C 1.966 178.069 176.117 -0.023 0.000 1.036 270 I CA -0.033 61.261 61.300 -0.011 0.000 1.336 270 I CB 0.448 38.456 38.000 0.013 0.000 1.407 270 I HN 0.428 nan 8.210 nan 0.000 0.497 271 A N 7.256 130.015 122.820 -0.102 0.000 1.930 271 A HA -0.010 4.310 4.320 -0.000 0.000 0.217 271 A C 0.374 178.043 177.584 0.142 0.000 1.175 271 A CA 1.084 53.107 52.037 -0.023 0.000 0.627 271 A CB -0.083 18.828 19.000 -0.149 0.000 0.815 271 A HN 0.864 nan 8.150 nan 0.000 0.443 272 W N -3.812 117.416 121.300 -0.120 0.000 3.370 272 W HA 0.493 5.153 4.660 -0.000 0.000 0.304 272 W C -1.983 174.494 176.519 -0.070 0.000 1.161 272 W CA -1.627 55.652 57.345 -0.111 0.000 1.132 272 W CB -0.201 29.136 29.460 -0.205 0.000 1.377 272 W HN 0.156 nan 8.180 nan 0.000 0.568 273 I N 2.906 123.610 120.570 0.223 0.000 2.330 273 I HA 0.436 4.606 4.170 -0.000 0.000 0.289 273 I C -0.198 176.098 176.117 0.299 0.000 1.001 273 I CA -0.795 60.599 61.300 0.157 0.000 1.193 273 I CB 1.157 39.267 38.000 0.183 0.000 1.345 273 I HN 0.563 nan 8.210 nan 0.000 0.461 274 E N 6.446 126.797 120.200 0.251 0.000 2.283 274 E HA 0.186 4.536 4.350 -0.000 0.000 0.278 274 E C -0.481 176.170 176.600 0.085 0.000 1.027 274 E CA -0.238 56.314 56.400 0.254 0.000 0.843 274 E CB 0.523 30.403 29.700 0.300 0.000 1.062 274 E HN 0.641 nan 8.360 nan 0.000 0.401 275 E N 3.275 123.541 120.200 0.109 0.000 2.160 275 E HA -0.180 4.169 4.350 -0.000 0.000 0.180 275 E C -1.842 174.742 176.600 -0.026 0.000 1.452 275 E CA 0.093 56.552 56.400 0.097 0.000 0.683 275 E CB -0.470 29.203 29.700 -0.045 0.000 1.072 275 E HN 0.560 nan 8.360 nan 0.000 0.332 276 P HA -0.133 nan 4.420 nan 0.000 0.221 276 P C 0.749 177.985 177.300 -0.106 0.000 1.150 276 P CA 1.201 64.290 63.100 -0.018 0.000 0.800 276 P CB 0.505 32.315 31.700 0.183 0.000 0.787 277 T N -1.970 112.459 114.554 -0.208 0.000 2.618 277 T HA 0.329 4.679 4.350 -0.000 0.000 0.286 277 T C -0.836 173.839 174.700 -0.042 0.000 1.027 277 T CA -0.485 61.516 62.100 -0.166 0.000 1.063 277 T CB 1.000 69.735 68.868 -0.222 0.000 1.440 277 T HN -0.169 nan 8.240 nan 0.000 0.505 278 S N 1.880 117.571 115.700 -0.016 0.000 2.561 278 S HA 0.109 4.579 4.470 -0.000 0.000 0.294 278 S C -1.408 173.269 174.600 0.127 0.000 1.294 278 S CA -0.577 57.643 58.200 0.033 0.000 1.055 278 S CB 0.536 63.743 63.200 0.012 0.000 0.819 278 S HN 0.533 nan 8.310 nan 0.000 0.503 279 P HA 0.066 nan 4.420 nan 0.000 0.242 279 P C -0.011 177.259 177.300 -0.050 0.000 1.197 279 P CA 0.558 63.662 63.100 0.006 0.000 0.765 279 P CB 0.116 31.826 31.700 0.016 0.000 0.936 280 D N -0.962 119.429 120.400 -0.015 0.000 2.389 280 D HA 0.000 4.640 4.640 -0.000 0.000 0.206 280 D C 0.317 176.607 176.300 -0.017 0.000 1.055 280 D CA 0.447 54.420 54.000 -0.045 0.000 0.856 280 D CB -0.104 40.670 40.800 -0.043 0.000 0.957 280 D HN 0.073 nan 8.370 nan 0.000 0.509 281 D N 1.384 121.815 120.400 0.052 0.000 2.517 281 D HA 0.046 4.686 4.640 -0.000 0.000 0.220 281 D C 1.435 177.822 176.300 0.144 0.000 1.158 281 D CA -0.149 53.898 54.000 0.077 0.000 0.992 281 D CB 0.856 41.692 40.800 0.059 0.000 1.058 281 D HN -0.209 nan 8.370 nan 0.000 0.516 282 V N 3.629 123.567 119.914 0.040 0.000 2.295 282 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 282 V C 2.535 178.660 176.094 0.052 0.000 1.049 282 V CA 1.272 63.582 62.300 0.018 0.000 1.024 282 V CB -0.358 31.440 31.823 -0.040 0.000 0.648 282 V HN 0.575 nan 8.190 nan 0.000 0.447 283 L N 0.375 121.615 121.223 0.029 0.000 2.083 283 L HA -0.076 4.264 4.340 -0.000 0.000 0.209 283 L C 2.652 179.542 176.870 0.033 0.000 1.083 283 L CA 1.676 56.531 54.840 0.025 0.000 0.752 283 L CB -1.336 40.729 42.059 0.010 0.000 0.899 283 L HN 0.483 nan 8.230 nan 0.000 0.433 284 G N -1.074 107.746 108.800 0.034 0.000 2.418 284 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 284 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 284 G C 1.416 176.297 174.900 -0.032 0.000 1.158 284 G CA 0.421 45.516 45.100 -0.008 0.000 0.771 284 G HN 0.385 nan 8.290 nan 0.000 0.545 285 H N 0.613 119.681 119.070 -0.003 0.000 2.387 285 H HA -0.004 4.552 4.556 -0.000 0.000 0.299 285 H C 2.949 178.283 175.328 0.009 0.000 1.090 285 H CA 1.162 57.212 56.048 0.004 0.000 1.332 285 H CB -0.050 29.704 29.762 -0.014 0.000 1.386 285 H HN 0.408 nan 8.280 nan 0.000 0.516 286 A N 1.109 123.997 122.820 0.113 0.000 1.898 286 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 286 A C 2.677 180.286 177.584 0.041 0.000 1.181 286 A CA 1.446 53.522 52.037 0.066 0.000 0.620 286 A CB -0.655 18.373 19.000 0.046 0.000 0.819 286 A HN 0.425 nan 8.150 nan 0.000 0.442 287 A N -0.033 122.803 122.820 0.026 0.000 1.898 287 A HA -0.041 4.279 4.320 -0.000 0.000 0.216 287 A C 2.110 179.698 177.584 0.007 0.000 1.181 287 A CA 1.430 53.474 52.037 0.012 0.000 0.620 287 A CB -0.576 18.425 19.000 0.002 0.000 0.819 287 A HN 0.489 nan 8.150 nan 0.000 0.442 288 I N -1.005 119.565 120.570 -0.001 0.000 2.179 288 I HA -0.260 3.910 4.170 -0.000 0.000 0.242 288 I C 2.723 178.853 176.117 0.021 0.000 1.088 288 I CA 1.689 62.988 61.300 -0.003 0.000 1.357 288 I CB -0.360 37.626 38.000 -0.024 0.000 1.051 288 I HN 0.373 nan 8.210 nan 0.000 0.409 289 R N 0.953 121.478 120.500 0.042 0.000 2.091 289 R HA -0.245 4.095 4.340 -0.000 0.000 0.238 289 R C 2.288 178.610 176.300 0.037 0.000 1.136 289 R CA 1.863 57.994 56.100 0.052 0.000 0.959 289 R CB -0.157 30.182 30.300 0.065 0.000 0.856 289 R HN 0.426 nan 8.270 nan 0.000 0.437 290 Q N -1.206 118.612 119.800 0.029 0.000 2.119 290 Q HA -0.067 4.273 4.340 -0.000 0.000 0.201 290 Q C 1.990 177.998 176.000 0.013 0.000 0.972 290 Q CA 1.463 57.279 55.803 0.022 0.000 0.847 290 Q CB -0.062 28.688 28.738 0.019 0.000 0.903 290 Q HN 0.549 nan 8.270 nan 0.000 0.433 291 G N 1.058 109.863 108.800 0.008 0.000 2.464 291 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.217 291 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.217 291 G C 1.296 176.194 174.900 -0.003 0.000 1.138 291 G CA 0.525 45.625 45.100 -0.001 0.000 0.793 291 G HN 0.493 nan 8.290 nan 0.000 0.539 292 I N -1.285 119.288 120.570 0.005 0.000 3.927 292 I HA 0.330 4.500 4.170 -0.000 0.000 0.332 292 I C 0.637 176.763 176.117 0.015 0.000 1.485 292 I CA -0.464 60.840 61.300 0.006 0.000 1.131 292 I CB 0.144 38.152 38.000 0.013 0.000 1.092 292 I HN -0.129 nan 8.210 nan 0.000 0.410 293 T N 3.767 118.331 114.554 0.017 0.000 2.946 293 T HA 0.132 4.482 4.350 -0.000 0.000 0.312 293 T C -0.925 173.783 174.700 0.013 0.000 1.066 293 T CA -0.529 61.584 62.100 0.021 0.000 1.138 293 T CB 0.529 69.409 68.868 0.020 0.000 1.014 293 T HN 0.378 nan 8.240 nan 0.000 0.544 294 P HA 0.197 nan 4.420 nan 0.000 0.253 294 P C -0.319 177.003 177.300 0.038 0.000 1.459 294 P CA -0.231 62.885 63.100 0.027 0.000 0.908 294 P CB -0.057 31.657 31.700 0.023 0.000 1.470 295 V N 3.008 122.945 119.914 0.038 0.000 2.446 295 V HA 0.098 4.218 4.120 -0.000 0.000 0.276 295 V C -1.974 174.166 176.094 0.077 0.000 1.030 295 V CA -1.183 61.149 62.300 0.054 0.000 1.033 295 V CB -0.021 31.832 31.823 0.051 0.000 0.993 295 V HN 0.111 nan 8.190 nan 0.000 0.477 296 P HA 0.180 nan 4.420 nan 0.000 0.269 296 P C -0.627 176.765 177.300 0.153 0.000 1.209 296 P CA 0.089 63.259 63.100 0.117 0.000 0.776 296 P CB 0.658 32.440 31.700 0.136 0.000 0.876 297 V N 2.262 122.250 119.914 0.123 0.000 2.680 297 V HA 0.674 4.794 4.120 -0.000 0.000 0.309 297 V C 0.127 176.274 176.094 0.089 0.000 1.052 297 V CA -0.225 62.163 62.300 0.147 0.000 0.908 297 V CB 1.868 33.779 31.823 0.147 0.000 1.001 297 V HN 0.758 nan 8.190 nan 0.000 0.431 298 S N 2.651 118.416 115.700 0.108 0.000 2.607 298 S HA 0.911 5.381 4.470 -0.000 0.000 0.273 298 S C -0.796 173.811 174.600 0.012 0.000 1.148 298 S CA -0.204 57.981 58.200 -0.024 0.000 0.833 298 S CB 2.484 65.524 63.200 -0.266 0.000 1.130 298 S HN 1.073 nan 8.310 nan 0.000 0.470 299 T N -1.196 113.314 114.554 -0.073 0.000 2.733 299 T HA 0.652 5.002 4.350 -0.000 0.000 0.312 299 T C 0.305 174.960 174.700 -0.075 0.000 1.590 299 T CA 0.486 62.511 62.100 -0.124 0.000 1.005 299 T CB 0.625 69.242 68.868 -0.419 0.000 1.528 299 T HN 2.204 nan 8.240 nan 0.000 0.496 300 G N 1.230 109.981 108.800 -0.081 0.000 3.382 300 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.214 300 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.214 300 G C 0.791 175.751 174.900 0.100 0.000 1.025 300 G CA 0.982 46.115 45.100 0.053 0.000 0.869 300 G HN 0.942 nan 8.290 nan 0.000 0.458 301 E N 0.069 120.271 120.200 0.003 0.000 2.265 301 E HA -0.112 4.238 4.350 -0.000 0.000 0.196 301 E C 1.519 178.191 176.600 0.120 0.000 0.996 301 E CA 1.394 57.750 56.400 -0.073 0.000 0.832 301 E CB -0.192 29.186 29.700 -0.536 0.000 0.756 301 E HN 0.490 nan 8.360 nan 0.000 0.491 302 H N 0.010 119.006 119.070 -0.125 0.000 2.893 302 H HA 0.236 4.792 4.556 -0.000 0.000 0.270 302 H C -0.363 174.888 175.328 -0.129 0.000 1.095 302 H CA -0.183 55.801 56.048 -0.107 0.000 1.186 302 H CB 0.715 30.413 29.762 -0.107 0.000 1.562 302 H HN -0.024 nan 8.280 nan 0.000 0.536 303 T N 1.877 116.372 114.554 -0.099 0.000 2.793 303 T HA -0.056 4.294 4.350 -0.000 0.000 0.289 303 T C 1.323 175.936 174.700 -0.146 0.000 0.956 303 T CA 0.159 62.067 62.100 -0.320 0.000 1.177 303 T CB 0.823 69.099 68.868 -0.987 0.000 0.897 303 T HN 0.425 nan 8.240 nan 0.000 0.533 304 Q N 2.785 122.513 119.800 -0.120 0.000 2.062 304 Q HA -0.182 4.158 4.340 -0.000 0.000 0.209 304 Q C 0.769 176.818 176.000 0.081 0.000 0.996 304 Q CA 1.817 57.604 55.803 -0.027 0.000 0.859 304 Q CB -0.067 28.628 28.738 -0.072 0.000 0.920 304 Q HN 0.903 nan 8.270 nan 0.000 0.415 305 N N -2.996 115.743 118.700 0.065 0.000 3.179 305 N HA 0.096 4.836 4.740 -0.000 0.000 0.250 305 N C -0.242 175.421 175.510 0.256 0.000 1.507 305 N CA -0.712 52.442 53.050 0.174 0.000 0.883 305 N CB 0.277 38.808 38.487 0.073 0.000 1.435 305 N HN -0.038 nan 8.380 nan 0.000 0.532 306 R N -0.566 120.083 120.500 0.248 0.000 2.241 306 R HA -0.003 4.337 4.340 -0.000 0.000 0.224 306 R C 0.275 176.685 176.300 0.183 0.000 1.101 306 R CA 1.448 57.693 56.100 0.242 0.000 0.995 306 R CB -0.799 29.570 30.300 0.115 0.000 0.870 306 R HN 0.333 nan 8.270 nan 0.000 0.463 307 V N 1.038 121.019 119.914 0.112 0.000 2.591 307 V HA -0.124 3.996 4.120 -0.000 0.000 0.249 307 V C 2.413 178.506 176.094 -0.002 0.000 1.053 307 V CA 1.097 63.429 62.300 0.054 0.000 1.068 307 V CB 0.134 31.954 31.823 -0.005 0.000 0.689 307 V HN 0.149 nan 8.190 nan 0.000 0.462 308 V N -0.812 119.076 119.914 -0.044 0.000 2.379 308 V HA -0.168 3.952 4.120 -0.000 0.000 0.245 308 V C 2.165 178.169 176.094 -0.149 0.000 1.044 308 V CA 1.822 64.039 62.300 -0.138 0.000 1.036 308 V CB -0.731 30.955 31.823 -0.227 0.000 0.664 308 V HN 0.421 nan 8.190 nan 0.000 0.453 309 F N 0.767 120.669 119.950 -0.080 0.000 2.095 309 F HA -0.210 4.317 4.527 -0.000 0.000 0.298 309 F C 2.543 178.254 175.800 -0.149 0.000 1.104 309 F CA 2.218 60.155 58.000 -0.104 0.000 1.232 309 F CB -0.284 38.671 39.000 -0.074 0.000 0.987 309 F HN 0.020 nan 8.300 nan 0.000 0.475 310 K N 0.431 120.879 120.400 0.081 0.000 2.074 310 K HA -0.279 4.041 4.320 -0.000 0.000 0.209 310 K C 1.962 178.486 176.600 -0.127 0.000 1.048 310 K CA 1.976 58.239 56.287 -0.040 0.000 0.926 310 K CB -0.255 32.270 32.500 0.042 0.000 0.713 310 K HN 0.363 nan 8.250 nan 0.000 0.444 311 Q N -0.034 119.720 119.800 -0.078 0.000 2.119 311 Q HA -0.118 4.222 4.340 -0.000 0.000 0.201 311 Q C 2.091 178.024 176.000 -0.113 0.000 0.972 311 Q CA 0.769 56.522 55.803 -0.084 0.000 0.847 311 Q CB 0.032 28.729 28.738 -0.068 0.000 0.903 311 Q HN 0.199 nan 8.270 nan 0.000 0.433 312 L N 0.200 121.345 121.223 -0.128 0.000 2.012 312 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 312 L C 2.055 178.837 176.870 -0.147 0.000 1.073 312 L CA 1.585 56.349 54.840 -0.127 0.000 0.748 312 L CB -0.977 41.000 42.059 -0.136 0.000 0.891 312 L HN 0.266 nan 8.230 nan 0.000 0.431 313 L N -0.961 120.103 121.223 -0.264 0.000 2.027 313 L HA -0.186 4.154 4.340 -0.000 0.000 0.206 313 L C 2.610 179.214 176.870 -0.444 0.000 1.074 313 L CA 1.482 56.022 54.840 -0.501 0.000 0.745 313 L CB -1.177 40.222 42.059 -1.100 0.000 0.898 313 L HN 0.394 nan 8.230 nan 0.000 0.433 314 Q N -1.141 118.447 119.800 -0.354 0.000 2.124 314 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 314 Q C 2.015 178.023 176.000 0.014 0.000 0.977 314 Q CA 1.620 57.389 55.803 -0.056 0.000 0.850 314 Q CB -0.205 28.532 28.738 -0.001 0.000 0.901 314 Q HN 0.536 nan 8.270 nan 0.000 0.429 315 A N -0.029 122.777 122.820 -0.024 0.000 2.238 315 A HA 0.272 4.592 4.320 -0.000 0.000 0.208 315 A C 1.294 178.890 177.584 0.019 0.000 1.177 315 A CA 0.634 52.675 52.037 0.006 0.000 0.804 315 A CB -0.297 18.701 19.000 -0.003 0.000 0.823 315 A HN 0.427 nan 8.150 nan 0.000 0.482 316 G N -1.319 107.488 108.800 0.011 0.000 2.314 316 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.292 316 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.292 316 G C 0.723 175.640 174.900 0.030 0.000 1.059 316 G CA 0.407 45.526 45.100 0.033 0.000 0.982 316 G HN 1.420 nan 8.290 nan 0.000 0.505 317 A N -1.361 121.467 122.820 0.013 0.000 2.275 317 A HA 0.632 4.952 4.320 -0.000 0.000 0.212 317 A C 1.160 178.771 177.584 0.044 0.000 1.201 317 A CA 1.418 53.479 52.037 0.039 0.000 0.843 317 A CB 0.233 19.254 19.000 0.036 0.000 0.873 317 A HN 1.990 nan 8.150 nan 0.000 0.492 318 V N -4.394 115.532 119.914 0.020 0.000 3.049 318 V HA 0.584 4.704 4.120 -0.000 0.000 0.309 318 V C -0.503 175.605 176.094 0.024 0.000 1.148 318 V CA -0.579 61.731 62.300 0.017 0.000 0.990 318 V CB 1.721 33.534 31.823 -0.016 0.000 1.039 318 V HN 0.122 nan 8.190 nan 0.000 0.430 319 D N 1.897 122.307 120.400 0.017 0.000 2.338 319 D HA 0.403 5.043 4.640 -0.000 0.000 0.208 319 D C 0.176 176.476 176.300 -0.000 0.000 0.997 319 D CA 1.196 55.210 54.000 0.023 0.000 0.880 319 D CB 0.522 41.343 40.800 0.034 0.000 0.980 319 D HN 0.713 nan 8.370 nan 0.000 0.509 320 L N -2.609 118.577 121.223 -0.061 0.000 2.600 320 L HA 0.635 4.975 4.340 -0.000 0.000 0.257 320 L C -1.528 175.280 176.870 -0.103 0.000 1.048 320 L CA -1.132 53.658 54.840 -0.084 0.000 0.869 320 L CB 1.747 43.669 42.059 -0.228 0.000 1.482 320 L HN -0.286 nan 8.230 nan 0.000 0.408 321 I N 0.316 120.862 120.570 -0.040 0.000 2.769 321 I HA 0.497 4.667 4.170 -0.000 0.000 0.298 321 I C -0.745 175.401 176.117 0.048 0.000 1.128 321 I CA -0.388 60.922 61.300 0.017 0.000 1.031 321 I CB 2.423 40.484 38.000 0.102 0.000 1.235 321 I HN 0.733 nan 8.210 nan 0.000 0.423 322 Q N 3.933 123.790 119.800 0.095 0.000 2.256 322 Q HA 0.673 5.013 4.340 -0.000 0.000 0.232 322 Q C -1.166 174.941 176.000 0.179 0.000 0.965 322 Q CA -0.064 55.826 55.803 0.146 0.000 0.908 322 Q CB 1.774 30.610 28.738 0.164 0.000 1.209 322 Q HN 0.434 nan 8.270 nan 0.000 0.489 323 I N 0.161 120.819 120.570 0.147 0.000 2.802 323 I HA 0.323 4.493 4.170 -0.000 0.000 0.298 323 I C -1.542 174.659 176.117 0.140 0.000 1.176 323 I CA -0.559 60.792 61.300 0.085 0.000 1.025 323 I CB 2.243 40.213 38.000 -0.049 0.000 1.243 323 I HN 0.537 nan 8.210 nan 0.000 0.424 324 D N 4.000 124.485 120.400 0.142 0.000 2.780 324 D HA 0.431 5.071 4.640 -0.000 0.000 0.242 324 D C 0.253 176.611 176.300 0.097 0.000 1.135 324 D CA -0.288 53.807 54.000 0.159 0.000 0.859 324 D CB 2.594 43.507 40.800 0.189 0.000 1.530 324 D HN 0.629 nan 8.370 nan 0.000 0.493 325 A N 2.748 125.613 122.820 0.075 0.000 1.969 325 A HA 0.083 4.403 4.320 -0.000 0.000 0.218 325 A C 1.567 179.161 177.584 0.017 0.000 1.169 325 A CA 1.765 53.826 52.037 0.040 0.000 0.635 325 A CB -0.031 18.969 19.000 0.000 0.000 0.810 325 A HN 0.545 nan 8.150 nan 0.000 0.445 326 A N -1.474 121.371 122.820 0.041 0.000 2.431 326 A HA 0.347 4.667 4.320 -0.000 0.000 0.239 326 A C 1.795 179.395 177.584 0.026 0.000 1.230 326 A CA 0.699 52.754 52.037 0.029 0.000 0.928 326 A CB -0.094 18.944 19.000 0.064 0.000 1.006 326 A HN 0.339 nan 8.150 nan 0.000 0.520 327 R N -0.583 119.946 120.500 0.049 0.000 2.161 327 R HA 0.171 4.511 4.340 -0.000 0.000 0.213 327 R C 0.761 177.071 176.300 0.017 0.000 1.055 327 R CA 1.539 57.656 56.100 0.029 0.000 0.996 327 R CB -0.523 29.815 30.300 0.063 0.000 0.901 327 R HN 0.250 nan 8.270 nan 0.000 0.456 328 V N -1.565 118.360 119.914 0.018 0.000 3.815 328 V HA 0.524 4.644 4.120 -0.000 0.000 0.284 328 V C 0.463 176.419 176.094 -0.229 0.000 1.266 328 V CA -0.412 61.893 62.300 0.009 0.000 0.923 328 V CB 1.300 33.197 31.823 0.124 0.000 1.267 328 V HN 0.252 nan 8.190 nan 0.000 0.461 329 G N 0.095 108.776 108.800 -0.199 0.000 3.471 329 G HA2 0.497 4.457 3.960 -0.000 0.000 0.254 329 G HA3 0.497 4.457 3.960 -0.000 0.000 0.254 329 G C 0.588 175.445 174.900 -0.072 0.000 1.199 329 G CA 0.728 45.655 45.100 -0.288 0.000 1.683 329 G HN 1.696 nan 8.290 nan 0.000 0.625 330 G N -0.745 108.020 108.800 -0.059 0.000 2.750 330 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.228 330 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.228 330 G C 1.048 175.904 174.900 -0.073 0.000 1.367 330 G CA -0.320 44.778 45.100 -0.003 0.000 0.871 330 G HN 0.676 nan 8.290 nan 0.000 0.560 331 V N 0.512 120.287 119.914 -0.231 0.000 2.282 331 V HA -0.302 3.818 4.120 -0.000 0.000 0.249 331 V C 2.795 178.656 176.094 -0.388 0.000 1.057 331 V CA 3.213 65.185 62.300 -0.547 0.000 1.032 331 V CB -1.042 29.843 31.823 -1.564 0.000 0.645 331 V HN 0.733 nan 8.190 nan 0.000 0.447 332 N N 0.201 118.808 118.700 -0.154 0.000 2.060 332 N HA -0.248 4.492 4.740 -0.000 0.000 0.195 332 N C 1.895 177.385 175.510 -0.033 0.000 1.028 332 N CA 1.944 55.020 53.050 0.045 0.000 0.861 332 N CB -0.309 38.302 38.487 0.206 0.000 1.029 332 N HN 0.670 nan 8.380 nan 0.000 0.428 333 E N 0.036 120.225 120.200 -0.020 0.000 2.107 333 E HA -0.034 4.316 4.350 -0.000 0.000 0.191 333 E C 1.256 177.816 176.600 -0.066 0.000 0.982 333 E CA 0.661 57.052 56.400 -0.014 0.000 0.809 333 E CB 0.095 29.830 29.700 0.058 0.000 0.756 333 E HN 0.305 nan 8.360 nan 0.000 0.459 334 N N 0.383 119.025 118.700 -0.096 0.000 2.244 334 N HA -0.124 4.616 4.740 -0.000 0.000 0.183 334 N C 1.873 177.294 175.510 -0.147 0.000 1.016 334 N CA 0.728 53.699 53.050 -0.132 0.000 0.866 334 N CB -0.061 38.357 38.487 -0.114 0.000 0.980 334 N HN 0.249 nan 8.380 nan 0.000 0.430 335 L N 0.705 121.842 121.223 -0.145 0.000 2.046 335 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 335 L C 2.477 179.287 176.870 -0.100 0.000 1.077 335 L CA 1.100 55.870 54.840 -0.117 0.000 0.747 335 L CB -0.502 41.493 42.059 -0.105 0.000 0.896 335 L HN 0.097 nan 8.230 nan 0.000 0.432 336 A N 0.403 123.153 122.820 -0.117 0.000 1.877 336 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 336 A C 2.196 179.724 177.584 -0.094 0.000 1.186 336 A CA 1.646 53.611 52.037 -0.121 0.000 0.620 336 A CB -0.688 18.224 19.000 -0.146 0.000 0.822 336 A HN 0.351 nan 8.150 nan 0.000 0.443 337 I N -0.436 120.044 120.570 -0.149 0.000 2.226 337 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 337 I C 2.385 178.376 176.117 -0.209 0.000 1.100 337 I CA 1.100 62.243 61.300 -0.262 0.000 1.374 337 I CB -0.337 37.334 38.000 -0.548 0.000 1.057 337 I HN 0.283 nan 8.210 nan 0.000 0.413 338 L N 0.059 121.184 121.223 -0.162 0.000 2.079 338 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 338 L C 2.507 179.356 176.870 -0.034 0.000 1.081 338 L CA 1.372 56.153 54.840 -0.097 0.000 0.752 338 L CB -0.438 41.576 42.059 -0.075 0.000 0.896 338 L HN 0.278 nan 8.230 nan 0.000 0.433 339 L N -1.273 119.939 121.223 -0.018 0.000 2.093 339 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 339 L C 2.460 179.379 176.870 0.082 0.000 1.085 339 L CA 0.545 55.405 54.840 0.034 0.000 0.755 339 L CB -0.360 41.728 42.059 0.048 0.000 0.904 339 L HN 0.225 nan 8.230 nan 0.000 0.435 340 L N -0.080 121.191 121.223 0.080 0.000 2.017 340 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 340 L C 2.870 179.878 176.870 0.230 0.000 1.073 340 L CA 2.217 57.167 54.840 0.184 0.000 0.745 340 L CB -1.684 40.431 42.059 0.092 0.000 0.894 340 L HN 0.228 nan 8.230 nan 0.000 0.432 341 A N -0.438 122.431 122.820 0.082 0.000 1.883 341 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 341 A C 2.511 180.171 177.584 0.128 0.000 1.186 341 A CA 2.226 54.312 52.037 0.082 0.000 0.624 341 A CB -0.826 18.172 19.000 -0.004 0.000 0.822 341 A HN 0.434 nan 8.150 nan 0.000 0.444 342 A N -0.270 122.603 122.820 0.089 0.000 1.883 342 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 342 A C 2.152 179.785 177.584 0.082 0.000 1.186 342 A CA 2.193 54.273 52.037 0.072 0.000 0.624 342 A CB -0.519 18.508 19.000 0.045 0.000 0.822 342 A HN 0.590 nan 8.150 nan 0.000 0.444 343 K N -1.621 118.840 120.400 0.102 0.000 2.097 343 K HA -0.118 4.202 4.320 -0.000 0.000 0.206 343 K C 1.241 177.811 176.600 -0.051 0.000 1.049 343 K CA 1.639 57.938 56.287 0.019 0.000 0.933 343 K CB -0.280 32.225 32.500 0.007 0.000 0.717 343 K HN 0.397 nan 8.250 nan 0.000 0.442 344 F N 0.231 120.198 119.950 0.028 0.000 2.797 344 F HA 0.219 4.746 4.527 -0.000 0.000 0.302 344 F C 1.245 177.062 175.800 0.029 0.000 1.130 344 F CA 0.745 58.764 58.000 0.031 0.000 1.387 344 F CB 0.550 39.572 39.000 0.037 0.000 1.107 344 F HN 0.283 nan 8.300 nan 0.000 0.577 345 G N 1.440 110.337 108.800 0.162 0.000 2.246 345 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.273 345 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.273 345 G C -0.166 174.803 174.900 0.114 0.000 1.055 345 G CA 0.264 45.428 45.100 0.108 0.000 0.851 345 G HN 0.597 nan 8.290 nan 0.000 0.500 346 V N -2.298 117.690 119.914 0.124 0.000 2.495 346 V HA 0.854 4.974 4.120 -0.000 0.000 0.298 346 V C 0.575 176.718 176.094 0.082 0.000 1.031 346 V CA -1.579 60.779 62.300 0.097 0.000 0.871 346 V CB 1.297 33.172 31.823 0.087 0.000 0.988 346 V HN 0.444 nan 8.190 nan 0.000 0.432 347 R N 3.005 123.561 120.500 0.094 0.000 2.738 347 R HA 0.595 4.935 4.340 -0.000 0.000 0.268 347 R C -0.251 176.117 176.300 0.112 0.000 1.062 347 R CA 0.134 56.294 56.100 0.101 0.000 1.158 347 R CB 1.393 31.801 30.300 0.179 0.000 1.046 347 R HN 1.002 nan 8.270 nan 0.000 0.493 348 V N 1.174 121.124 119.914 0.061 0.000 2.531 348 V HA 0.506 4.626 4.120 -0.000 0.000 0.301 348 V C -1.429 174.696 176.094 0.052 0.000 1.034 348 V CA -0.748 61.597 62.300 0.075 0.000 0.865 348 V CB 1.314 33.136 31.823 -0.003 0.000 0.995 348 V HN 0.551 nan 8.190 nan 0.000 0.424 349 F N 6.500 126.391 119.950 -0.098 0.000 2.311 349 F HA 0.617 5.144 4.527 -0.000 0.000 0.371 349 F C -2.219 173.620 175.800 0.065 0.000 1.083 349 F CA -2.564 55.425 58.000 -0.019 0.000 1.113 349 F CB 1.580 40.454 39.000 -0.210 0.000 1.349 349 F HN 0.380 nan 8.300 nan 0.000 0.470 350 P HA -0.072 nan 4.420 nan 0.000 0.264 350 P C -0.521 176.896 177.300 0.194 0.000 1.183 350 P CA 0.361 63.531 63.100 0.117 0.000 0.763 350 P CB 0.268 31.946 31.700 -0.036 0.000 0.807 351 H N 2.709 121.840 119.070 0.101 0.000 2.562 351 H HA 0.623 5.179 4.556 -0.000 0.000 0.352 351 H C -0.225 175.108 175.328 0.009 0.000 1.125 351 H CA -0.052 56.053 56.048 0.095 0.000 1.379 351 H CB 0.549 30.372 29.762 0.101 0.000 1.464 351 H HN 0.494 nan 8.280 nan 0.000 0.563 352 A N 2.439 124.834 122.820 -0.709 0.000 3.136 352 A HA 0.771 5.091 4.320 -0.000 0.000 0.299 352 A C 0.406 177.583 177.584 -0.679 0.000 1.197 352 A CA -0.216 51.495 52.037 -0.544 0.000 0.640 352 A CB 0.304 19.159 19.000 -0.242 0.000 1.440 352 A HN 1.632 nan 8.150 nan 0.000 0.614 353 G N -1.846 106.678 108.800 -0.460 0.000 2.484 353 G HA2 0.476 4.436 3.960 -0.000 0.000 0.225 353 G HA3 0.476 4.436 3.960 -0.000 0.000 0.225 353 G C 1.481 175.925 174.900 -0.760 0.000 1.250 353 G CA 0.991 45.809 45.100 -0.470 0.000 0.926 353 G HN 2.923 nan 8.290 nan 0.000 0.581 354 G N -1.703 106.428 108.800 -1.114 0.000 2.614 354 G HA2 0.061 4.021 3.960 -0.000 0.000 0.303 354 G HA3 0.061 4.021 3.960 -0.000 0.000 0.303 354 G C 0.459 174.826 174.900 -0.889 0.000 1.270 354 G CA 1.694 45.610 45.100 -1.974 0.000 0.988 354 G HN 2.084 nan 8.290 nan 0.000 0.551 355 V N 1.252 120.778 119.914 -0.647 0.000 2.311 355 V HA 0.579 4.699 4.120 -0.000 0.000 0.275 355 V C 1.435 177.549 176.094 0.032 0.000 1.022 355 V CA 0.931 63.231 62.300 -0.000 0.000 0.830 355 V CB 0.053 32.111 31.823 0.392 0.000 1.012 355 V HN 2.650 nan 8.190 nan 0.000 0.452 356 G N 4.244 112.992 108.800 -0.087 0.000 2.189 356 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.267 356 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.267 356 G C 0.695 175.382 174.900 -0.355 0.000 0.975 356 G CA 0.565 45.349 45.100 -0.528 0.000 0.644 356 G HN 0.567 nan 8.290 nan 0.000 0.537 357 L N 0.414 121.456 121.223 -0.301 0.000 2.079 357 L HA -0.034 4.306 4.340 -0.000 0.000 0.210 357 L C 3.085 179.841 176.870 -0.191 0.000 1.081 357 L CA 2.261 56.949 54.840 -0.254 0.000 0.752 357 L CB -1.219 40.618 42.059 -0.370 0.000 0.896 357 L HN 0.545 nan 8.230 nan 0.000 0.433 358 C N -0.970 118.243 119.300 -0.146 0.000 2.453 358 C HA -0.131 4.329 4.460 -0.000 0.000 0.277 358 C C 2.598 177.559 174.990 -0.048 0.000 1.262 358 C CA 0.357 59.368 59.018 -0.012 0.000 1.718 358 C CB -0.710 27.183 27.740 0.254 0.000 2.031 358 C HN 0.492 nan 8.230 nan 0.000 0.480 359 E N 0.971 121.110 120.200 -0.101 0.000 2.130 359 E HA -0.157 4.193 4.350 -0.000 0.000 0.196 359 E C 1.999 178.630 176.600 0.051 0.000 0.998 359 E CA 1.140 57.485 56.400 -0.093 0.000 0.806 359 E CB -0.309 29.176 29.700 -0.358 0.000 0.738 359 E HN 0.602 nan 8.360 nan 0.000 0.459 360 L N -0.774 120.429 121.223 -0.033 0.000 2.022 360 L HA -0.058 4.282 4.340 -0.000 0.000 0.204 360 L C 2.342 179.368 176.870 0.261 0.000 1.076 360 L CA 0.581 55.461 54.840 0.066 0.000 0.749 360 L CB -0.680 41.228 42.059 -0.251 0.000 0.903 360 L HN 0.028 nan 8.230 nan 0.000 0.439 361 V N 0.931 120.868 119.914 0.038 0.000 2.688 361 V HA -0.289 3.831 4.120 -0.000 0.000 0.256 361 V C 2.636 178.648 176.094 -0.137 0.000 1.084 361 V CA 2.065 64.356 62.300 -0.014 0.000 1.103 361 V CB -0.519 31.258 31.823 -0.077 0.000 0.688 361 V HN 0.677 nan 8.190 nan 0.000 0.480 362 Q N -1.162 118.487 119.800 -0.251 0.000 2.124 362 Q HA -0.295 4.045 4.340 -0.000 0.000 0.202 362 Q C 1.886 177.661 176.000 -0.376 0.000 0.977 362 Q CA 2.460 57.950 55.803 -0.522 0.000 0.850 362 Q CB -0.645 27.705 28.738 -0.647 0.000 0.901 362 Q HN 0.749 nan 8.270 nan 0.000 0.429 363 H N 0.855 119.885 119.070 -0.067 0.000 2.357 363 H HA -0.001 4.555 4.556 -0.000 0.000 0.301 363 H C 2.040 177.360 175.328 -0.013 0.000 1.082 363 H CA 1.743 57.817 56.048 0.043 0.000 1.342 363 H CB -0.006 29.800 29.762 0.074 0.000 1.389 363 H HN 0.136 nan 8.280 nan 0.000 0.511 364 L N 0.056 121.317 121.223 0.063 0.000 2.046 364 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 364 L C 1.742 178.571 176.870 -0.068 0.000 1.077 364 L CA 0.365 55.194 54.840 -0.018 0.000 0.747 364 L CB -0.546 41.499 42.059 -0.025 0.000 0.896 364 L HN 0.253 nan 8.230 nan 0.000 0.432 368 D N -0.372 120.101 120.400 0.122 0.000 2.117 368 D HA -0.155 4.485 4.640 -0.000 0.000 0.197 368 D C 1.620 178.007 176.300 0.145 0.000 0.987 368 D CA 2.026 56.086 54.000 0.101 0.000 0.829 368 D CB -0.208 40.639 40.800 0.078 0.000 0.961 368 D HN 0.461 nan 8.370 nan 0.000 0.460 369 F N 0.229 120.237 119.950 0.096 0.000 2.102 369 F HA -0.162 4.364 4.527 -0.000 0.000 0.298 369 F C 1.981 177.814 175.800 0.055 0.000 1.105 369 F CA 1.284 59.328 58.000 0.073 0.000 1.239 369 F CB -0.268 38.790 39.000 0.097 0.000 0.991 369 F HN -0.093 nan 8.300 nan 0.000 0.474 370 V N 0.430 120.331 119.914 -0.022 0.000 2.244 370 V HA -0.226 3.894 4.120 -0.000 0.000 0.244 370 V C 2.495 178.528 176.094 -0.101 0.000 1.042 370 V CA 2.010 64.246 62.300 -0.107 0.000 1.006 370 V CB -1.288 30.648 31.823 0.188 0.000 0.641 370 V HN 0.473 nan 8.190 nan 0.000 0.446 371 A N -1.749 121.065 122.820 -0.010 0.000 2.267 371 A HA 0.295 4.615 4.320 -0.000 0.000 0.213 371 A C 1.910 179.480 177.584 -0.024 0.000 1.192 371 A CA 0.933 52.961 52.037 -0.016 0.000 0.851 371 A CB 0.049 19.058 19.000 0.015 0.000 0.881 371 A HN 0.581 nan 8.150 nan 0.000 0.494 372 I N -2.604 117.950 120.570 -0.027 0.000 4.399 372 I HA 0.032 4.202 4.170 -0.000 0.000 0.301 372 I C 1.837 177.939 176.117 -0.025 0.000 1.198 372 I CA 1.435 62.726 61.300 -0.016 0.000 1.315 372 I CB 0.401 38.405 38.000 0.007 0.000 1.452 372 I HN 0.204 nan 8.210 nan 0.000 0.457 373 T N -2.610 111.928 114.554 -0.026 0.000 3.056 373 T HA 0.329 4.679 4.350 -0.000 0.000 0.241 373 T C 1.630 176.287 174.700 -0.072 0.000 1.006 373 T CA 0.775 62.864 62.100 -0.018 0.000 1.115 373 T CB 0.226 69.115 68.868 0.036 0.000 0.939 373 T HN 0.698 nan 8.240 nan 0.000 0.462 374 G N 1.971 110.658 108.800 -0.189 0.000 2.160 374 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.251 374 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.251 374 G C -0.069 174.815 174.900 -0.025 0.000 1.008 374 G CA 0.602 45.451 45.100 -0.417 0.000 0.724 374 G HN 0.748 nan 8.290 nan 0.000 0.514 378 D N 1.202 121.555 120.400 -0.079 0.000 2.349 378 D HA 0.030 4.670 4.640 -0.000 0.000 0.214 378 D C 0.970 177.236 176.300 -0.056 0.000 1.063 378 D CA 0.086 54.081 54.000 -0.009 0.000 0.847 378 D CB 0.598 41.411 40.800 0.021 0.000 0.933 378 D HN 0.145 nan 8.370 nan 0.000 0.513 379 R N -0.636 119.709 120.500 -0.259 0.000 3.015 379 R HA 0.845 5.185 4.340 -0.000 0.000 0.258 379 R C -1.425 174.577 176.300 -0.496 0.000 1.172 379 R CA -0.974 54.619 56.100 -0.845 0.000 1.003 379 R CB 0.718 30.457 30.300 -0.935 0.000 1.326 379 R HN -0.030 nan 8.270 nan 0.000 0.449 380 A N 0.147 122.619 122.820 -0.580 0.000 2.583 380 A HA 0.544 4.864 4.320 -0.000 0.000 0.292 380 A C -1.377 176.383 177.584 0.292 0.000 1.045 380 A CA -0.866 51.269 52.037 0.163 0.000 0.672 380 A CB 1.111 20.388 19.000 0.462 0.000 1.283 380 A HN 0.555 nan 8.150 nan 0.000 0.419 381 I N 1.293 122.046 120.570 0.305 0.000 2.385 381 I HA 0.315 4.485 4.170 -0.000 0.000 0.294 381 I C 0.653 176.886 176.117 0.194 0.000 0.988 381 I CA -0.345 61.026 61.300 0.119 0.000 1.265 381 I CB 1.606 39.439 38.000 -0.278 0.000 1.388 381 I HN 0.862 nan 8.210 nan 0.000 0.480 382 E N 5.597 125.771 120.200 -0.044 0.000 2.392 382 E HA 0.190 4.540 4.350 -0.000 0.000 0.264 382 E C -1.582 174.973 176.600 -0.076 0.000 1.024 382 E CA -0.171 55.896 56.400 -0.555 0.000 0.903 382 E CB 0.906 30.351 29.700 -0.425 0.000 0.963 382 E HN 0.439 nan 8.360 nan 0.000 0.432 383 F N 4.140 123.916 119.950 -0.290 0.000 2.578 383 F HA 0.532 5.059 4.527 -0.000 0.000 0.311 383 F C -1.804 173.943 175.800 -0.088 0.000 1.094 383 F CA -0.634 57.324 58.000 -0.071 0.000 0.923 383 F CB 1.551 40.509 39.000 -0.070 0.000 1.230 383 F HN 0.213 nan 8.300 nan 0.000 0.450 384 V N 3.969 123.234 119.914 -1.081 0.000 2.808 384 V HA 0.249 4.369 4.120 -0.000 0.000 0.308 384 V C -1.317 174.298 176.094 -0.799 0.000 1.099 384 V CA -0.826 61.092 62.300 -0.637 0.000 0.920 384 V CB 1.861 33.594 31.823 -0.149 0.000 1.014 384 V HN 0.680 nan 8.190 nan 0.000 0.425 385 D N 2.818 123.015 120.400 -0.338 0.000 2.563 385 D HA 0.361 5.001 4.640 -0.000 0.000 0.222 385 D C -0.567 175.692 176.300 -0.070 0.000 1.145 385 D CA 0.200 54.182 54.000 -0.029 0.000 1.001 385 D CB -0.309 40.589 40.800 0.164 0.000 1.049 385 D HN 0.674 nan 8.370 nan 0.000 0.515 386 H N 1.659 120.570 119.070 -0.266 0.000 2.930 386 H HA 0.264 4.820 4.556 -0.000 0.000 0.371 386 H C 0.463 175.486 175.328 -0.509 0.000 1.169 386 H CA -0.879 54.991 56.048 -0.296 0.000 1.157 386 H CB 1.348 31.000 29.762 -0.183 0.000 1.789 386 H HN -0.118 nan 8.280 nan 0.000 0.547 387 L N 1.324 122.413 121.223 -0.224 0.000 4.245 387 L HA -0.315 4.025 4.340 -0.000 0.000 0.438 387 L C 1.139 178.035 176.870 0.043 0.000 1.121 387 L CA 1.052 55.780 54.840 -0.188 0.000 0.984 387 L CB -2.239 39.501 42.059 -0.531 0.000 1.873 387 L HN 0.873 nan 8.230 nan 0.000 1.054 388 H N 0.869 120.041 119.070 0.170 0.000 2.489 388 H HA -0.088 4.468 4.556 -0.000 0.000 0.293 388 H C 2.104 177.582 175.328 0.249 0.000 1.066 388 H CA 1.568 57.765 56.048 0.249 0.000 1.305 388 H CB 0.229 30.088 29.762 0.162 0.000 1.386 388 H HN 0.711 nan 8.280 nan 0.000 0.551 389 Q N 1.004 120.912 119.800 0.180 0.000 2.436 389 Q HA -0.128 4.212 4.340 -0.000 0.000 0.209 389 Q C 0.561 176.556 176.000 -0.010 0.000 0.965 389 Q CA 1.143 56.967 55.803 0.034 0.000 0.910 389 Q CB -0.557 28.095 28.738 -0.143 0.000 0.980 389 Q HN 0.564 nan 8.270 nan 0.000 0.491 390 H N -0.763 118.347 119.070 0.067 0.000 2.533 390 H HA 0.297 4.853 4.556 -0.000 0.000 0.271 390 H C -0.693 174.400 175.328 -0.392 0.000 1.000 390 H CA -0.064 55.936 56.048 -0.080 0.000 1.149 390 H CB -0.019 29.564 29.762 -0.298 0.000 1.375 390 H HN 0.081 nan 8.280 nan 0.000 0.582 391 F N -0.608 119.373 119.950 0.052 0.000 2.508 391 F HA 0.191 4.718 4.527 -0.000 0.000 0.325 391 F C 0.576 176.230 175.800 -0.243 0.000 1.090 391 F CA -0.992 56.940 58.000 -0.114 0.000 0.945 391 F CB 1.492 40.504 39.000 0.021 0.000 1.156 391 F HN -0.144 nan 8.300 nan 0.000 0.463 392 L N 0.917 122.004 121.223 -0.227 0.000 2.141 392 L HA -0.106 4.234 4.340 -0.000 0.000 0.209 392 L C 0.776 177.680 176.870 0.056 0.000 1.094 392 L CA 1.610 56.349 54.840 -0.170 0.000 0.763 392 L CB -0.372 41.585 42.059 -0.170 0.000 0.908 392 L HN 0.538 nan 8.230 nan 0.000 0.437 393 D N 0.060 120.531 120.400 0.119 0.000 2.795 393 D HA 0.162 4.802 4.640 -0.000 0.000 0.335 393 D C -2.395 173.993 176.300 0.147 0.000 1.262 393 D CA -2.128 51.953 54.000 0.135 0.000 0.885 393 D CB 0.567 41.454 40.800 0.145 0.000 1.047 393 D HN -0.004 nan 8.370 nan 0.000 0.500 394 P HA 0.001 nan 4.420 nan 0.000 0.269 394 P C 0.445 177.785 177.300 0.065 0.000 1.209 394 P CA -0.426 62.765 63.100 0.151 0.000 0.776 394 P CB 1.037 32.856 31.700 0.197 0.000 0.876 395 V N 1.292 121.214 119.914 0.014 0.000 3.139 395 V HA 0.213 4.333 4.120 -0.000 0.000 0.307 395 V C 0.385 176.435 176.094 -0.074 0.000 1.095 395 V CA -0.159 62.152 62.300 0.018 0.000 1.160 395 V CB -0.417 31.488 31.823 0.136 0.000 1.003 395 V HN 0.455 nan 8.190 nan 0.000 0.489 396 R N 3.635 124.086 120.500 -0.082 0.000 2.451 396 R HA 0.614 4.954 4.340 -0.000 0.000 0.307 396 R C -1.242 174.887 176.300 -0.286 0.000 0.965 396 R CA -0.703 55.306 56.100 -0.151 0.000 0.865 396 R CB 1.660 31.916 30.300 -0.074 0.000 1.174 396 R HN 0.632 nan 8.270 nan 0.000 0.455 397 I N 3.112 123.427 120.570 -0.426 0.000 2.321 397 I HA 0.200 4.370 4.170 -0.000 0.000 0.291 397 I C -0.048 175.838 176.117 -0.384 0.000 0.998 397 I CA -0.211 60.744 61.300 -0.575 0.000 1.227 397 I CB 1.478 38.934 38.000 -0.907 0.000 1.368 397 I HN 0.614 nan 8.210 nan 0.000 0.466 398 Q N 6.633 126.242 119.800 -0.319 0.000 2.363 398 Q HA 0.189 4.529 4.340 -0.000 0.000 0.265 398 Q C -0.197 175.690 176.000 -0.188 0.000 1.032 398 Q CA -0.428 55.252 55.803 -0.205 0.000 0.746 398 Q CB 0.516 29.174 28.738 -0.133 0.000 1.237 398 Q HN 0.635 nan 8.270 nan 0.000 0.475 399 H N 3.006 121.874 119.070 -0.337 0.000 2.591 399 H HA -0.225 4.331 4.556 -0.000 0.000 0.325 399 H C 0.495 175.533 175.328 -0.483 0.000 1.096 399 H CA 1.366 57.203 56.048 -0.352 0.000 1.108 399 H CB -0.798 28.832 29.762 -0.220 0.000 1.590 399 H HN 1.174 nan 8.280 nan 0.000 0.399 400 G N 1.463 109.688 108.800 -0.958 0.000 2.179 400 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.257 400 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.257 400 G C 0.115 174.704 174.900 -0.518 0.000 1.010 400 G CA 0.738 45.151 45.100 -1.143 0.000 0.736 400 G HN 0.700 nan 8.290 nan 0.000 0.513 401 R N -1.683 118.562 120.500 -0.426 0.000 2.698 401 R HA 0.462 4.801 4.340 -0.000 0.000 0.275 401 R C -1.090 175.066 176.300 -0.241 0.000 1.001 401 R CA -0.957 55.017 56.100 -0.211 0.000 0.896 401 R CB 1.267 31.488 30.300 -0.131 0.000 1.218 401 R HN 0.109 nan 8.270 nan 0.000 0.462 402 Y N 2.104 122.327 120.300 -0.128 0.000 2.402 402 Y HA 0.188 4.738 4.550 -0.000 0.000 0.333 402 Y C 0.437 176.245 175.900 -0.153 0.000 1.076 402 Y CA 0.040 58.050 58.100 -0.150 0.000 1.299 402 Y CB 0.712 39.090 38.460 -0.138 0.000 1.197 402 Y HN 0.231 nan 8.280 nan 0.000 0.517 403 L N 4.101 125.316 121.223 -0.013 0.000 2.305 403 L HA 0.422 4.762 4.340 -0.000 0.000 0.281 403 L C 0.412 177.250 176.870 -0.054 0.000 1.085 403 L CA -0.938 53.876 54.840 -0.044 0.000 0.813 403 L CB 0.822 42.852 42.059 -0.047 0.000 1.157 403 L HN 0.704 nan 8.230 nan 0.000 0.436 404 A N 6.464 129.213 122.820 -0.118 0.000 2.522 404 A HA 0.299 4.619 4.320 -0.000 0.000 0.256 404 A C -2.007 175.600 177.584 0.039 0.000 1.086 404 A CA -0.927 50.978 52.037 -0.220 0.000 0.763 404 A CB -0.725 18.063 19.000 -0.354 0.000 1.024 404 A HN 0.450 nan 8.150 nan 0.000 0.502 405 P HA 0.113 nan 4.420 nan 0.000 0.269 405 P C -0.142 177.396 177.300 0.397 0.000 1.215 405 P CA 0.222 63.460 63.100 0.230 0.000 0.780 405 P CB 0.912 32.733 31.700 0.201 0.000 0.898 406 E N -0.177 120.180 120.200 0.261 0.000 2.391 406 E HA 0.089 4.439 4.350 -0.000 0.000 0.206 406 E C 0.198 176.889 176.600 0.152 0.000 0.851 406 E CA -0.104 56.423 56.400 0.212 0.000 1.059 406 E CB 0.266 30.059 29.700 0.154 0.000 1.065 406 E HN 0.144 nan 8.360 nan 0.000 0.512 407 V N 3.662 123.666 119.914 0.151 0.000 2.999 407 V HA 0.034 4.154 4.120 -0.000 0.000 0.307 407 V C -2.206 173.958 176.094 0.116 0.000 1.084 407 V CA -1.068 61.303 62.300 0.118 0.000 1.155 407 V CB 0.247 32.141 31.823 0.117 0.000 0.975 407 V HN 0.017 nan 8.190 nan 0.000 0.490 408 P HA 0.488 nan 4.420 nan 0.000 0.275 408 P C 0.238 177.571 177.300 0.055 0.000 1.227 408 P CA 1.032 64.157 63.100 0.040 0.000 0.781 408 P CB 0.715 32.425 31.700 0.017 0.000 0.906 409 G N 1.444 110.250 108.800 0.010 0.000 2.343 409 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.562 409 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.562 409 G C -0.518 174.348 174.900 -0.057 0.000 1.269 409 G CA -0.721 44.392 45.100 0.022 0.000 1.011 409 G HN 0.440 nan 8.290 nan 0.000 0.498 410 F N 0.917 120.781 119.950 -0.144 0.000 2.727 410 F HA 0.328 4.855 4.527 -0.000 0.000 0.302 410 F C 1.725 177.492 175.800 -0.055 0.000 1.097 410 F CA 0.555 58.383 58.000 -0.288 0.000 1.330 410 F CB 0.212 39.163 39.000 -0.081 0.000 1.084 410 F HN 0.740 nan 8.300 nan 0.000 0.578 411 S N -0.076 115.799 115.700 0.293 0.000 3.476 411 S HA -0.294 4.176 4.470 -0.000 0.000 0.309 411 S C 1.011 175.720 174.600 0.182 0.000 1.222 411 S CA 0.467 58.827 58.200 0.265 0.000 0.922 411 S CB -1.814 61.602 63.200 0.359 0.000 1.023 411 S HN 0.595 nan 8.310 nan 0.000 0.591 412 A N 0.178 123.125 122.820 0.211 0.000 2.081 412 A HA 0.246 4.566 4.320 -0.000 0.000 0.214 412 A C 0.910 178.743 177.584 0.415 0.000 1.158 412 A CA 0.640 52.844 52.037 0.280 0.000 0.724 412 A CB -0.031 19.093 19.000 0.206 0.000 0.826 412 A HN 0.678 nan 8.150 nan 0.000 0.463 416 P HA -0.154 nan 4.420 nan 0.000 0.216 416 P C 1.363 178.711 177.300 0.080 0.000 1.150 416 P CA 2.236 65.385 63.100 0.082 0.000 0.843 416 P CB 0.247 32.004 31.700 0.094 0.000 0.787 417 A N -0.905 121.974 122.820 0.099 0.000 1.933 417 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 417 A C 2.321 179.986 177.584 0.135 0.000 1.175 417 A CA 2.086 54.171 52.037 0.081 0.000 0.628 417 A CB -1.411 17.613 19.000 0.039 0.000 0.814 417 A HN 0.137 nan 8.150 nan 0.000 0.444 418 S N -0.281 115.546 115.700 0.213 0.000 2.355 418 S HA -0.105 4.365 4.470 -0.000 0.000 0.222 418 S C 1.744 176.512 174.600 0.281 0.000 1.031 418 S CA 1.465 59.900 58.200 0.393 0.000 0.993 418 S CB -0.400 63.079 63.200 0.465 0.000 0.859 418 S HN 0.446 nan 8.310 nan 0.000 0.453 419 I N 2.205 122.826 120.570 0.084 0.000 2.226 419 I HA -0.134 4.036 4.170 -0.000 0.000 0.245 419 I C 2.505 178.663 176.117 0.069 0.000 1.100 419 I CA 1.021 62.322 61.300 0.001 0.000 1.374 419 I CB -0.790 37.112 38.000 -0.163 0.000 1.057 419 I HN 0.235 nan 8.210 nan 0.000 0.413 420 A N -0.384 122.475 122.820 0.065 0.000 1.972 420 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 420 A C 2.301 179.907 177.584 0.037 0.000 1.169 420 A CA 2.008 54.081 52.037 0.060 0.000 0.635 420 A CB -0.503 18.526 19.000 0.049 0.000 0.810 420 A HN 0.414 nan 8.150 nan 0.000 0.446 421 E N -1.201 119.003 120.200 0.007 0.000 2.122 421 E HA 0.046 4.396 4.350 -0.000 0.000 0.190 421 E C 0.769 177.150 176.600 -0.365 0.000 0.977 421 E CA 0.901 57.175 56.400 -0.209 0.000 0.820 421 E CB -0.197 29.312 29.700 -0.317 0.000 0.770 421 E HN 0.570 nan 8.360 nan 0.000 0.462 422 F N 0.181 120.206 119.950 0.125 0.000 2.654 422 F HA 0.383 4.910 4.527 -0.000 0.000 0.303 422 F C 0.598 176.554 175.800 0.261 0.000 1.099 422 F CA -0.387 57.721 58.000 0.180 0.000 1.270 422 F CB 0.485 39.398 39.000 -0.145 0.000 1.024 422 F HN -0.247 nan 8.300 nan 0.000 0.548 423 S N 0.385 116.270 115.700 0.308 0.000 2.568 423 S HA 0.015 4.485 4.470 -0.000 0.000 0.282 423 S C -0.843 173.927 174.600 0.282 0.000 1.338 423 S CA 0.077 58.426 58.200 0.247 0.000 1.045 423 S CB 0.316 63.642 63.200 0.209 0.000 0.873 423 S HN 0.290 nan 8.310 nan 0.000 0.516 424 Y N 4.692 124.987 120.300 -0.009 0.000 2.364 424 Y HA 0.471 5.021 4.550 -0.000 0.000 0.340 424 Y C -1.984 173.863 175.900 -0.088 0.000 0.975 424 Y CA -2.012 55.982 58.100 -0.176 0.000 1.089 424 Y CB 1.878 40.073 38.460 -0.441 0.000 1.192 424 Y HN 0.428 nan 8.280 nan 0.000 0.454 425 P HA 0.129 nan 4.420 nan 0.000 0.278 425 P C -0.450 176.719 177.300 -0.219 0.000 1.502 425 P CA 0.148 62.770 63.100 -0.797 0.000 1.114 425 P CB 0.438 31.452 31.700 -1.144 0.000 1.541 426 D N -0.823 119.531 120.400 -0.078 0.000 2.339 426 D HA 0.070 4.710 4.640 -0.000 0.000 0.217 426 D C 1.076 177.416 176.300 0.067 0.000 1.050 426 D CA -0.119 53.880 54.000 -0.001 0.000 0.856 426 D CB -0.568 40.234 40.800 0.004 0.000 0.922 426 D HN -0.002 nan 8.370 nan 0.000 0.518 427 G N 0.353 109.242 108.800 0.148 0.000 2.684 427 G HA2 0.039 3.999 3.960 -0.000 0.000 0.255 427 G HA3 0.039 3.999 3.960 -0.000 0.000 0.255 427 G C 0.752 175.717 174.900 0.109 0.000 1.219 427 G CA -0.567 44.634 45.100 0.168 0.000 0.901 427 G HN 0.071 nan 8.290 nan 0.000 0.548 428 R N -0.090 120.423 120.500 0.022 0.000 2.075 428 R HA -0.122 4.218 4.340 -0.000 0.000 0.230 428 R C 2.307 178.559 176.300 -0.081 0.000 1.140 428 R CA 1.678 57.755 56.100 -0.038 0.000 0.928 428 R CB -0.535 29.720 30.300 -0.074 0.000 0.834 428 R HN 0.561 nan 8.270 nan 0.000 0.429 429 F N 0.168 119.917 119.950 -0.335 0.000 2.087 429 F HA -0.289 4.238 4.527 -0.000 0.000 0.299 429 F C 1.574 177.138 175.800 -0.393 0.000 1.100 429 F CA 2.057 59.771 58.000 -0.476 0.000 1.226 429 F CB -0.431 38.063 39.000 -0.843 0.000 0.983 429 F HN 0.137 nan 8.300 nan 0.000 0.479 430 W N 0.152 121.483 121.300 0.053 0.000 2.409 430 W HA -0.033 4.627 4.660 -0.000 0.000 0.299 430 W C 2.572 179.018 176.519 -0.123 0.000 1.203 430 W CA 1.600 58.944 57.345 -0.003 0.000 1.298 430 W CB -1.060 28.513 29.460 0.189 0.000 1.127 430 W HN -0.015 nan 8.180 nan 0.000 0.528 431 V N -1.344 118.620 119.914 0.084 0.000 2.913 431 V HA -0.153 3.967 4.120 -0.000 0.000 0.260 431 V C 1.684 177.740 176.094 -0.064 0.000 1.098 431 V CA 2.119 64.421 62.300 0.002 0.000 1.121 431 V CB -0.611 31.208 31.823 -0.007 0.000 0.714 431 V HN 0.087 nan 8.190 nan 0.000 0.487 432 E N 0.717 120.830 120.200 -0.146 0.000 2.075 432 E HA -0.074 4.276 4.350 -0.000 0.000 0.190 432 E C 1.997 178.456 176.600 -0.236 0.000 0.969 432 E CA 1.143 57.424 56.400 -0.198 0.000 0.815 432 E CB -0.302 29.237 29.700 -0.269 0.000 0.776 432 E HN 0.695 nan 8.360 nan 0.000 0.457 433 D N -0.131 120.042 120.400 -0.379 0.000 2.077 433 D HA -0.133 4.507 4.640 -0.000 0.000 0.193 433 D C 0.618 176.854 176.300 -0.107 0.000 0.989 433 D CA 0.723 54.522 54.000 -0.335 0.000 0.831 433 D CB 0.063 40.526 40.800 -0.561 0.000 0.979 433 D HN 0.105 nan 8.370 nan 0.000 0.449 434 L N 1.348 122.569 121.223 -0.004 0.000 2.803 434 L HA 0.317 4.657 4.340 -0.000 0.000 0.241 434 L C 0.488 177.358 176.870 0.001 0.000 1.404 434 L CA 0.131 54.998 54.840 0.044 0.000 1.211 434 L CB -1.384 40.741 42.059 0.111 0.000 1.585 434 L HN 0.085 nan 8.230 nan 0.000 0.430 435 A N 0.000 122.802 122.820 -0.029 0.000 2.254 435 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 435 A CA 0.000 52.017 52.037 -0.033 0.000 0.836 435 A CB 0.000 18.973 19.000 -0.046 0.000 0.831 435 A HN 0.000 nan 8.150 nan 0.000 0.486