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 1r03_1_A DATA FIRST_RESID 6 DATA SEQUENCE SRVRQNFHPD SEAAINRQIN LELYASYVYL SMAYYFSRDD VALNNFSRYF DATA SEQUENCE LHQSREETEH AEKLMRLQNQ RGGRIRLQDI KKPEQDDWES GLHAMECALL DATA SEQUENCE LEKNVNQSLL ELHALASDKG DPHLCDFLET YYLNEQVKSI KELGDHVHNL DATA SEQUENCE VKMGAPDAGL AEYLFDTHTL G 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.594 174.600 -0.010 0.000 1.055 6 S CA 0.000 58.198 58.200 -0.003 0.000 1.107 6 S CB 0.000 63.200 63.200 -0.000 0.000 0.593 7 R N 2.448 122.938 120.500 -0.015 0.000 2.339 7 R HA 0.071 4.410 4.340 -0.002 0.000 0.199 7 R C 1.337 177.621 176.300 -0.027 0.000 1.018 7 R CA 1.503 57.592 56.100 -0.018 0.000 1.036 7 R CB -0.694 29.596 30.300 -0.017 0.000 0.899 7 R HN 0.514 nan 8.270 nan 0.000 0.473 8 V N -2.415 117.477 119.914 -0.037 0.000 3.644 8 V HA 0.199 4.318 4.120 -0.002 0.000 0.267 8 V C 1.030 177.084 176.094 -0.067 0.000 1.277 8 V CA -0.294 61.972 62.300 -0.057 0.000 1.096 8 V CB -0.421 31.356 31.823 -0.077 0.000 0.828 8 V HN 0.158 nan 8.190 nan 0.000 0.446 9 R N 1.814 122.290 120.500 -0.040 0.000 2.489 9 R HA 0.331 4.670 4.340 -0.002 0.000 0.287 9 R C -0.307 175.992 176.300 -0.001 0.000 1.053 9 R CA 0.318 56.409 56.100 -0.014 0.000 1.036 9 R CB 0.242 30.569 30.300 0.044 0.000 0.966 9 R HN 0.727 nan 8.270 nan 0.000 0.432 10 Q N 3.519 123.323 119.800 0.007 0.000 2.313 10 Q HA 0.058 4.397 4.340 -0.002 0.000 0.260 10 Q C -1.102 174.935 176.000 0.062 0.000 0.972 10 Q CA -0.531 55.283 55.803 0.018 0.000 0.886 10 Q CB 1.140 29.866 28.738 -0.020 0.000 1.373 10 Q HN 0.796 nan 8.270 nan 0.000 0.416 11 N N 2.268 121.017 118.700 0.081 0.000 2.735 11 N HA -0.228 4.511 4.740 -0.002 0.000 0.248 11 N C -1.978 173.659 175.510 0.210 0.000 1.083 11 N CA 0.885 54.000 53.050 0.109 0.000 0.703 11 N CB -0.847 37.690 38.487 0.083 0.000 1.005 11 N HN 0.460 nan 8.380 nan 0.000 0.550 12 F N 1.737 121.686 119.950 -0.002 0.000 2.430 12 F HA 0.344 4.870 4.527 -0.001 0.000 0.362 12 F C 0.219 176.025 175.800 0.010 0.000 1.103 12 F CA -1.150 56.854 58.000 0.007 0.000 1.045 12 F CB 0.371 39.358 39.000 -0.022 0.000 1.276 12 F HN 0.118 nan 8.300 nan 0.000 0.444 13 H N 6.930 125.847 119.070 -0.254 0.000 2.764 13 H HA 0.167 4.722 4.556 -0.002 0.000 0.341 13 H C -1.795 173.288 175.328 -0.408 0.000 1.072 13 H CA -1.153 54.742 56.048 -0.255 0.000 1.444 13 H CB 1.748 31.410 29.762 -0.166 0.000 1.458 13 H HN 0.365 nan 8.280 nan 0.000 0.572 14 P HA -0.142 nan 4.420 nan 0.000 0.217 14 P C 0.807 178.066 177.300 -0.069 0.000 1.148 14 P CA 1.209 64.172 63.100 -0.228 0.000 0.828 14 P CB 0.410 31.982 31.700 -0.213 0.000 0.783 15 D N -1.388 119.152 120.400 0.234 0.000 2.144 15 D HA -0.084 4.555 4.640 -0.002 0.000 0.200 15 D C 2.002 178.252 176.300 -0.083 0.000 0.978 15 D CA 1.177 55.207 54.000 0.050 0.000 0.833 15 D CB -0.682 40.096 40.800 -0.037 0.000 0.961 15 D HN 0.102 nan 8.370 nan 0.000 0.470 16 S N 0.361 115.964 115.700 -0.162 0.000 2.368 16 S HA -0.159 4.310 4.470 -0.002 0.000 0.224 16 S C 1.846 176.269 174.600 -0.296 0.000 1.029 16 S CA 0.936 58.997 58.200 -0.232 0.000 0.988 16 S CB -0.109 62.914 63.200 -0.294 0.000 0.838 16 S HN 0.366 nan 8.310 nan 0.000 0.462 17 E N 1.439 121.313 120.200 -0.543 0.000 2.058 17 E HA -0.201 4.148 4.350 -0.002 0.000 0.194 17 E C 2.138 178.681 176.600 -0.096 0.000 0.997 17 E CA 1.191 57.394 56.400 -0.329 0.000 0.801 17 E CB -0.287 29.213 29.700 -0.333 0.000 0.746 17 E HN 0.465 nan 8.360 nan 0.000 0.450 18 A N 1.126 123.888 122.820 -0.097 0.000 1.902 18 A HA -0.103 4.216 4.320 -0.002 0.000 0.217 18 A C 2.411 179.979 177.584 -0.028 0.000 1.181 18 A CA 1.939 53.950 52.037 -0.043 0.000 0.623 18 A CB -0.835 18.142 19.000 -0.037 0.000 0.818 18 A HN 0.438 nan 8.150 nan 0.000 0.443 19 A N -0.369 122.427 122.820 -0.040 0.000 1.972 19 A HA -0.040 4.279 4.320 -0.002 0.000 0.219 19 A C 2.084 179.666 177.584 -0.004 0.000 1.169 19 A CA 1.446 53.470 52.037 -0.022 0.000 0.635 19 A CB -0.562 18.420 19.000 -0.030 0.000 0.810 19 A HN 0.499 nan 8.150 nan 0.000 0.446 20 I N -0.026 120.545 120.570 0.001 0.000 2.315 20 I HA -0.227 3.942 4.170 -0.002 0.000 0.248 20 I C 2.106 178.241 176.117 0.031 0.000 1.117 20 I CA 0.926 62.239 61.300 0.022 0.000 1.404 20 I CB -0.322 37.714 38.000 0.061 0.000 1.071 20 I HN 0.288 nan 8.210 nan 0.000 0.419 21 N N 0.896 119.613 118.700 0.029 0.000 2.166 21 N HA -0.129 4.610 4.740 -0.002 0.000 0.186 21 N C 1.912 177.441 175.510 0.032 0.000 1.019 21 N CA 1.161 54.230 53.050 0.032 0.000 0.856 21 N CB -0.219 38.282 38.487 0.024 0.000 0.993 21 N HN 0.344 nan 8.380 nan 0.000 0.426 22 R N 0.455 120.968 120.500 0.022 0.000 2.092 22 R HA -0.103 4.236 4.340 -0.002 0.000 0.231 22 R C 2.071 178.394 176.300 0.039 0.000 1.119 22 R CA 1.010 57.124 56.100 0.023 0.000 0.970 22 R CB -0.176 30.130 30.300 0.010 0.000 0.864 22 R HN 0.179 nan 8.270 nan 0.000 0.440 23 Q N 1.132 120.955 119.800 0.039 0.000 2.119 23 Q HA -0.061 4.278 4.340 -0.002 0.000 0.201 23 Q C 1.841 177.896 176.000 0.090 0.000 0.972 23 Q CA 1.373 57.210 55.803 0.056 0.000 0.847 23 Q CB -0.115 28.637 28.738 0.022 0.000 0.903 23 Q HN 0.325 nan 8.270 nan 0.000 0.433 24 I N 0.550 121.169 120.570 0.083 0.000 2.163 24 I HA -0.313 3.856 4.170 -0.002 0.000 0.243 24 I C 2.401 178.585 176.117 0.111 0.000 1.085 24 I CA 1.408 62.770 61.300 0.104 0.000 1.347 24 I CB -0.502 37.546 38.000 0.081 0.000 1.044 24 I HN 0.411 nan 8.210 nan 0.000 0.408 25 N N 1.130 119.884 118.700 0.090 0.000 2.120 25 N HA -0.214 4.526 4.740 -0.002 0.000 0.188 25 N C 2.040 177.637 175.510 0.146 0.000 1.024 25 N CA 1.350 54.459 53.050 0.098 0.000 0.852 25 N CB -0.016 38.510 38.487 0.065 0.000 1.003 25 N HN 0.178 nan 8.380 nan 0.000 0.424 26 L N 2.217 123.522 121.223 0.136 0.000 2.083 26 L HA -0.092 4.247 4.340 -0.002 0.000 0.209 26 L C 2.138 179.159 176.870 0.251 0.000 1.083 26 L CA 1.655 56.605 54.840 0.184 0.000 0.752 26 L CB -0.608 41.531 42.059 0.134 0.000 0.899 26 L HN 0.106 nan 8.230 nan 0.000 0.433 27 E N -0.373 119.960 120.200 0.222 0.000 2.106 27 E HA -0.179 4.171 4.350 -0.002 0.000 0.192 27 E C 2.310 179.026 176.600 0.193 0.000 0.984 27 E CA 1.333 57.878 56.400 0.242 0.000 0.806 27 E CB -0.340 29.531 29.700 0.284 0.000 0.750 27 E HN 0.526 nan 8.360 nan 0.000 0.458 28 L N -0.121 121.206 121.223 0.174 0.000 2.093 28 L HA -0.164 4.176 4.340 -0.002 0.000 0.208 28 L C 2.583 179.557 176.870 0.172 0.000 1.085 28 L CA 1.086 56.006 54.840 0.132 0.000 0.755 28 L CB -0.527 41.590 42.059 0.097 0.000 0.904 28 L HN 0.117 nan 8.230 nan 0.000 0.435 29 Y N 0.825 121.193 120.300 0.113 0.000 2.145 29 Y HA -0.295 4.254 4.550 -0.001 0.000 0.286 29 Y C 2.524 178.499 175.900 0.125 0.000 1.145 29 Y CA 1.520 59.708 58.100 0.146 0.000 1.148 29 Y CB -0.145 38.381 38.460 0.110 0.000 0.981 29 Y HN 0.095 nan 8.280 nan 0.000 0.507 30 A N -0.750 122.098 122.820 0.046 0.000 1.933 30 A HA -0.227 4.092 4.320 -0.002 0.000 0.218 30 A C 2.456 180.000 177.584 -0.067 0.000 1.175 30 A CA 1.935 53.910 52.037 -0.104 0.000 0.628 30 A CB -1.422 17.634 19.000 0.094 0.000 0.814 30 A HN 0.542 nan 8.150 nan 0.000 0.444 31 S N -1.984 113.761 115.700 0.075 0.000 2.368 31 S HA -0.196 4.273 4.470 -0.002 0.000 0.225 31 S C 1.957 176.651 174.600 0.157 0.000 1.030 31 S CA 1.637 59.914 58.200 0.129 0.000 0.999 31 S CB -0.527 62.724 63.200 0.085 0.000 0.844 31 S HN 0.606 nan 8.310 nan 0.000 0.459 32 Y N 2.175 122.431 120.300 -0.072 0.000 2.200 32 Y HA -0.022 4.527 4.550 -0.002 0.000 0.290 32 Y C 2.379 178.203 175.900 -0.125 0.000 1.137 32 Y CA 0.842 58.899 58.100 -0.072 0.000 1.163 32 Y CB -0.930 37.487 38.460 -0.072 0.000 0.988 32 Y HN 0.128 nan 8.280 nan 0.000 0.518 33 V N -0.741 119.010 119.914 -0.270 0.000 2.332 33 V HA -0.337 3.782 4.120 -0.002 0.000 0.248 33 V C 2.064 177.946 176.094 -0.353 0.000 1.055 33 V CA 2.128 64.175 62.300 -0.422 0.000 1.038 33 V CB -1.006 30.404 31.823 -0.690 0.000 0.651 33 V HN 0.322 nan 8.190 nan 0.000 0.450 34 Y N -0.774 119.428 120.300 -0.163 0.000 2.373 34 Y HA -0.094 4.456 4.550 -0.001 0.000 0.293 34 Y C 2.061 177.978 175.900 0.029 0.000 1.129 34 Y CA 0.964 59.001 58.100 -0.105 0.000 1.226 34 Y CB -0.519 37.938 38.460 -0.006 0.000 1.000 34 Y HN 0.200 nan 8.280 nan 0.000 0.549 35 L N -0.965 120.408 121.223 0.250 0.000 2.056 35 L HA -0.145 4.194 4.340 -0.002 0.000 0.207 35 L C 2.573 179.651 176.870 0.346 0.000 1.078 35 L CA 1.963 56.999 54.840 0.326 0.000 0.749 35 L CB -1.078 41.186 42.059 0.342 0.000 0.901 35 L HN 0.145 nan 8.230 nan 0.000 0.433 36 S N -0.826 114.994 115.700 0.201 0.000 2.359 36 S HA -0.253 4.216 4.470 -0.002 0.000 0.224 36 S C 2.057 176.843 174.600 0.310 0.000 1.035 36 S CA 1.919 60.271 58.200 0.252 0.000 1.018 36 S CB -0.279 63.062 63.200 0.234 0.000 0.876 36 S HN 0.523 nan 8.310 nan 0.000 0.448 37 M N 0.890 120.469 119.600 -0.036 0.000 2.117 37 M HA -0.078 4.401 4.480 -0.002 0.000 0.262 37 M C 2.504 179.010 176.300 0.342 0.000 1.065 37 M CA 1.508 56.679 55.300 -0.214 0.000 1.114 37 M CB -0.617 31.463 32.600 -0.867 0.000 1.361 37 M HN 0.508 nan 8.290 nan 0.000 0.408 38 A N -0.340 122.704 122.820 0.374 0.000 1.892 38 A HA -0.212 4.107 4.320 -0.002 0.000 0.218 38 A C 1.755 179.429 177.584 0.150 0.000 1.188 38 A CA 1.696 53.944 52.037 0.351 0.000 0.631 38 A CB -1.133 17.979 19.000 0.188 0.000 0.822 38 A HN 0.540 nan 8.150 nan 0.000 0.447 39 Y N -2.540 117.924 120.300 0.274 0.000 2.561 39 Y HA -0.039 4.510 4.550 -0.002 0.000 0.291 39 Y C 2.069 178.069 175.900 0.165 0.000 1.141 39 Y CA 0.867 59.088 58.100 0.201 0.000 1.303 39 Y CB -0.387 38.168 38.460 0.159 0.000 1.015 39 Y HN 0.563 nan 8.280 nan 0.000 0.547 40 Y N -0.806 119.591 120.300 0.163 0.000 2.220 40 Y HA -0.204 4.345 4.550 -0.002 0.000 0.291 40 Y C 1.418 177.196 175.900 -0.204 0.000 1.129 40 Y CA 1.298 59.382 58.100 -0.026 0.000 1.161 40 Y CB -0.739 37.699 38.460 -0.037 0.000 0.997 40 Y HN 0.036 nan 8.280 nan 0.000 0.522 41 F N 0.253 120.250 119.950 0.078 0.000 2.699 41 F HA -0.036 4.490 4.527 -0.001 0.000 0.298 41 F C 2.257 178.020 175.800 -0.061 0.000 1.154 41 F CA 1.089 59.074 58.000 -0.026 0.000 1.457 41 F CB -0.471 38.661 39.000 0.221 0.000 1.106 41 F HN 0.190 nan 8.300 nan 0.000 0.585 42 S N -1.045 114.675 115.700 0.033 0.000 2.572 42 S HA 0.224 4.693 4.470 -0.002 0.000 0.228 42 S C 0.669 175.265 174.600 -0.007 0.000 0.963 42 S CA -0.606 57.605 58.200 0.019 0.000 0.939 42 S CB -0.238 62.955 63.200 -0.012 0.000 0.804 42 S HN 0.116 nan 8.310 nan 0.000 0.480 43 R N 2.582 123.025 120.500 -0.096 0.000 2.694 43 R HA 0.103 4.443 4.340 -0.002 0.000 0.268 43 R C 1.241 177.497 176.300 -0.073 0.000 1.061 43 R CA 0.563 56.606 56.100 -0.095 0.000 1.133 43 R CB 0.337 30.511 30.300 -0.211 0.000 1.020 43 R HN 0.491 nan 8.270 nan 0.000 0.475 44 D N 1.346 121.725 120.400 -0.036 0.000 2.264 44 D HA -0.168 4.471 4.640 -0.002 0.000 0.208 44 D C 0.234 176.514 176.300 -0.033 0.000 0.966 44 D CA 1.031 55.019 54.000 -0.020 0.000 0.864 44 D CB 0.022 40.819 40.800 -0.005 0.000 0.933 44 D HN 0.586 nan 8.370 nan 0.000 0.499 45 D N 0.227 120.590 120.400 -0.062 0.000 2.358 45 D HA 0.053 4.693 4.640 -0.002 0.000 0.224 45 D C 1.314 177.555 176.300 -0.098 0.000 1.123 45 D CA -0.303 53.661 54.000 -0.060 0.000 0.833 45 D CB 0.774 41.546 40.800 -0.047 0.000 0.946 45 D HN 0.245 nan 8.370 nan 0.000 0.505 46 V N -0.224 119.608 119.914 -0.138 0.000 3.279 46 V HA 0.369 4.488 4.120 -0.002 0.000 0.213 46 V C 1.073 177.148 176.094 -0.032 0.000 1.335 46 V CA 0.197 62.395 62.300 -0.170 0.000 1.317 46 V CB -0.487 31.021 31.823 -0.524 0.000 1.209 46 V HN 0.273 nan 8.190 nan 0.000 0.525 47 A N 1.114 123.919 122.820 -0.024 0.000 2.640 47 A HA -0.223 4.096 4.320 -0.002 0.000 0.300 47 A C 0.076 177.726 177.584 0.112 0.000 1.499 47 A CA 0.948 53.015 52.037 0.049 0.000 0.759 47 A CB -2.046 16.980 19.000 0.044 0.000 1.048 47 A HN 0.490 nan 8.150 nan 0.000 0.450 48 L N 0.267 121.599 121.223 0.182 0.000 2.321 48 L HA 0.235 4.574 4.340 -0.002 0.000 0.272 48 L C 1.049 178.051 176.870 0.220 0.000 1.050 48 L CA -0.822 54.144 54.840 0.209 0.000 0.893 48 L CB 0.638 42.823 42.059 0.210 0.000 1.272 48 L HN 0.379 nan 8.230 nan 0.000 0.435 49 N N 0.999 119.767 118.700 0.113 0.000 2.289 49 N HA -0.131 4.609 4.740 -0.002 0.000 0.184 49 N C 1.202 176.735 175.510 0.039 0.000 1.016 49 N CA 1.010 54.103 53.050 0.072 0.000 0.872 49 N CB 0.078 38.577 38.487 0.019 0.000 0.973 49 N HN 0.495 nan 8.380 nan 0.000 0.433 50 N N -0.066 118.633 118.700 -0.001 0.000 2.376 50 N HA 0.032 4.771 4.740 -0.002 0.000 0.177 50 N C 1.370 176.795 175.510 -0.142 0.000 1.024 50 N CA 0.267 53.252 53.050 -0.108 0.000 0.893 50 N CB -0.229 38.126 38.487 -0.220 0.000 0.980 50 N HN 0.176 nan 8.380 nan 0.000 0.439 51 F N 1.217 121.033 119.950 -0.223 0.000 2.146 51 F HA -0.088 4.438 4.527 -0.001 0.000 0.298 51 F C 2.755 178.486 175.800 -0.114 0.000 1.096 51 F CA 0.891 58.658 58.000 -0.389 0.000 1.275 51 F CB -0.518 37.978 39.000 -0.841 0.000 1.008 51 F HN -0.026 nan 8.300 nan 0.000 0.480 52 S N 0.130 115.997 115.700 0.278 0.000 2.359 52 S HA -0.202 4.267 4.470 -0.002 0.000 0.224 52 S C 2.280 176.961 174.600 0.135 0.000 1.035 52 S CA 1.417 59.793 58.200 0.293 0.000 1.018 52 S CB -0.182 63.120 63.200 0.170 0.000 0.876 52 S HN 0.302 nan 8.310 nan 0.000 0.448 53 R N -1.072 119.453 120.500 0.042 0.000 2.096 53 R HA -0.089 4.250 4.340 -0.002 0.000 0.235 53 R C 2.289 178.581 176.300 -0.013 0.000 1.127 53 R CA 1.657 57.756 56.100 -0.002 0.000 0.968 53 R CB -0.614 29.663 30.300 -0.039 0.000 0.861 53 R HN 0.617 nan 8.270 nan 0.000 0.440 54 Y N 0.641 120.805 120.300 -0.226 0.000 2.145 54 Y HA -0.215 4.334 4.550 -0.002 0.000 0.286 54 Y C 1.778 177.498 175.900 -0.300 0.000 1.145 54 Y CA 1.559 59.445 58.100 -0.356 0.000 1.148 54 Y CB -0.436 37.630 38.460 -0.657 0.000 0.981 54 Y HN -0.089 nan 8.280 nan 0.000 0.507 55 F N -1.182 118.769 119.950 0.002 0.000 2.234 55 F HA -0.167 4.359 4.527 -0.001 0.000 0.299 55 F C 2.159 177.899 175.800 -0.100 0.000 1.087 55 F CA 0.559 58.507 58.000 -0.086 0.000 1.340 55 F CB -0.372 38.747 39.000 0.199 0.000 1.031 55 F HN 0.168 nan 8.300 nan 0.000 0.500 56 L N 0.001 121.299 121.223 0.126 0.000 2.046 56 L HA -0.238 4.101 4.340 -0.002 0.000 0.208 56 L C 2.373 179.241 176.870 -0.004 0.000 1.077 56 L CA 1.969 56.862 54.840 0.089 0.000 0.747 56 L CB -0.998 41.102 42.059 0.067 0.000 0.896 56 L HN 0.145 nan 8.230 nan 0.000 0.432 57 H N -1.314 117.661 119.070 -0.158 0.000 2.353 57 H HA -0.132 4.423 4.556 -0.001 0.000 0.300 57 H C 2.091 177.241 175.328 -0.296 0.000 1.090 57 H CA 1.814 57.736 56.048 -0.209 0.000 1.327 57 H CB 0.163 29.772 29.762 -0.255 0.000 1.383 57 H HN 0.343 nan 8.280 nan 0.000 0.508 58 Q N -0.033 119.457 119.800 -0.516 0.000 2.084 58 Q HA -0.143 4.196 4.340 -0.002 0.000 0.202 58 Q C 2.632 178.350 176.000 -0.470 0.000 0.978 58 Q CA 1.413 56.778 55.803 -0.730 0.000 0.844 58 Q CB -0.829 27.103 28.738 -1.343 0.000 0.898 58 Q HN 0.462 nan 8.270 nan 0.000 0.426 59 S N 0.514 116.093 115.700 -0.201 0.000 2.370 59 S HA -0.160 4.309 4.470 -0.002 0.000 0.226 59 S C 1.912 176.466 174.600 -0.077 0.000 1.033 59 S CA 1.150 59.367 58.200 0.028 0.000 1.011 59 S CB 0.051 63.335 63.200 0.141 0.000 0.852 59 S HN 0.337 nan 8.310 nan 0.000 0.457 60 R N 0.531 120.937 120.500 -0.156 0.000 2.115 60 R HA 0.028 4.367 4.340 -0.002 0.000 0.230 60 R C 2.445 178.594 176.300 -0.252 0.000 1.111 60 R CA 1.511 57.512 56.100 -0.165 0.000 0.976 60 R CB -0.204 30.007 30.300 -0.149 0.000 0.870 60 R HN 0.576 nan 8.270 nan 0.000 0.445 61 E N 0.327 120.283 120.200 -0.406 0.000 2.106 61 E HA -0.154 4.195 4.350 -0.002 0.000 0.192 61 E C 1.779 178.009 176.600 -0.616 0.000 0.984 61 E CA 0.706 56.834 56.400 -0.453 0.000 0.806 61 E CB 0.132 29.536 29.700 -0.494 0.000 0.750 61 E HN 0.256 nan 8.360 nan 0.000 0.458 62 E N 0.290 120.187 120.200 -0.504 0.000 2.110 62 E HA -0.127 4.222 4.350 -0.002 0.000 0.193 62 E C 2.174 178.674 176.600 -0.165 0.000 0.988 62 E CA 1.081 57.227 56.400 -0.423 0.000 0.804 62 E CB -0.439 29.232 29.700 -0.049 0.000 0.745 62 E HN 0.199 nan 8.360 nan 0.000 0.458 63 T N 1.680 116.173 114.554 -0.101 0.000 2.788 63 T HA -0.144 4.205 4.350 -0.002 0.000 0.268 63 T C 1.677 176.377 174.700 -0.000 0.000 1.044 63 T CA 1.333 63.421 62.100 -0.021 0.000 1.139 63 T CB -0.127 68.728 68.868 -0.021 0.000 0.867 63 T HN 0.294 nan 8.240 nan 0.000 0.454 64 E N 0.373 120.542 120.200 -0.052 0.000 2.110 64 E HA -0.156 4.194 4.350 -0.002 0.000 0.193 64 E C 2.058 178.738 176.600 0.134 0.000 0.988 64 E CA 1.082 57.489 56.400 0.011 0.000 0.804 64 E CB -0.250 29.435 29.700 -0.026 0.000 0.745 64 E HN 0.716 nan 8.360 nan 0.000 0.458 65 H N 0.208 119.305 119.070 0.044 0.000 2.353 65 H HA -0.057 4.498 4.556 -0.002 0.000 0.300 65 H C 2.267 177.759 175.328 0.272 0.000 1.090 65 H CA 0.579 56.715 56.048 0.147 0.000 1.327 65 H CB 0.044 29.927 29.762 0.202 0.000 1.383 65 H HN 0.181 nan 8.280 nan 0.000 0.508 66 A N 1.356 124.358 122.820 0.304 0.000 1.877 66 A HA -0.191 4.128 4.320 -0.002 0.000 0.216 66 A C 2.119 179.815 177.584 0.186 0.000 1.186 66 A CA 1.586 53.758 52.037 0.227 0.000 0.620 66 A CB -0.334 18.755 19.000 0.148 0.000 0.822 66 A HN 0.435 nan 8.150 nan 0.000 0.443 67 E N -0.502 119.784 120.200 0.144 0.000 2.118 67 E HA -0.215 4.134 4.350 -0.002 0.000 0.195 67 E C 2.062 178.742 176.600 0.133 0.000 0.992 67 E CA 1.299 57.763 56.400 0.106 0.000 0.804 67 E CB -0.140 29.600 29.700 0.067 0.000 0.741 67 E HN 0.614 nan 8.360 nan 0.000 0.458 68 K N 0.731 121.249 120.400 0.197 0.000 2.097 68 K HA -0.118 4.201 4.320 -0.002 0.000 0.206 68 K C 2.125 178.936 176.600 0.351 0.000 1.049 68 K CA 0.683 57.121 56.287 0.251 0.000 0.933 68 K CB 0.040 32.696 32.500 0.261 0.000 0.717 68 K HN 0.073 nan 8.250 nan 0.000 0.442 69 L N 0.225 121.663 121.223 0.358 0.000 2.109 69 L HA -0.127 4.212 4.340 -0.002 0.000 0.207 69 L C 2.424 179.331 176.870 0.062 0.000 1.086 69 L CA 0.972 55.930 54.840 0.196 0.000 0.760 69 L CB -0.170 41.994 42.059 0.175 0.000 0.910 69 L HN 0.233 nan 8.230 nan 0.000 0.437 70 M N -1.016 118.634 119.600 0.084 0.000 2.175 70 M HA -0.211 4.269 4.480 -0.002 0.000 0.264 70 M C 2.441 178.750 176.300 0.014 0.000 1.063 70 M CA 1.562 56.889 55.300 0.044 0.000 1.119 70 M CB -0.393 32.237 32.600 0.051 0.000 1.377 70 M HN 0.138 nan 8.290 nan 0.000 0.415 71 R N 1.097 121.613 120.500 0.026 0.000 2.075 71 R HA -0.134 4.205 4.340 -0.002 0.000 0.232 71 R C 2.164 178.431 176.300 -0.055 0.000 1.126 71 R CA 1.187 57.287 56.100 0.000 0.000 0.963 71 R CB -0.376 29.940 30.300 0.026 0.000 0.858 71 R HN 0.417 nan 8.270 nan 0.000 0.435 72 L N 0.833 121.992 121.223 -0.106 0.000 2.012 72 L HA -0.248 4.091 4.340 -0.002 0.000 0.210 72 L C 2.469 179.191 176.870 -0.246 0.000 1.073 72 L CA 1.882 56.557 54.840 -0.275 0.000 0.748 72 L CB -0.350 41.304 42.059 -0.675 0.000 0.891 72 L HN 0.285 nan 8.230 nan 0.000 0.431 73 Q N 0.454 120.169 119.800 -0.142 0.000 2.045 73 Q HA -0.257 4.082 4.340 -0.002 0.000 0.206 73 Q C 1.962 177.894 176.000 -0.114 0.000 0.991 73 Q CA 2.450 58.211 55.803 -0.070 0.000 0.851 73 Q CB -0.209 28.542 28.738 0.021 0.000 0.911 73 Q HN 0.508 nan 8.270 nan 0.000 0.418 74 N N -0.483 118.167 118.700 -0.083 0.000 2.166 74 N HA -0.136 4.603 4.740 -0.002 0.000 0.186 74 N C 1.596 177.031 175.510 -0.124 0.000 1.019 74 N CA 1.129 54.133 53.050 -0.078 0.000 0.856 74 N CB -0.180 38.280 38.487 -0.045 0.000 0.993 74 N HN 0.338 nan 8.380 nan 0.000 0.426 75 Q N 0.336 120.045 119.800 -0.151 0.000 2.124 75 Q HA -0.021 4.318 4.340 -0.002 0.000 0.202 75 Q C 1.461 177.299 176.000 -0.271 0.000 0.977 75 Q CA 0.967 56.666 55.803 -0.173 0.000 0.850 75 Q CB -0.005 28.645 28.738 -0.147 0.000 0.901 75 Q HN 0.298 nan 8.270 nan 0.000 0.429 76 R N -0.982 119.263 120.500 -0.425 0.000 2.297 76 R HA 0.077 4.416 4.340 -0.002 0.000 0.197 76 R C 1.195 177.209 176.300 -0.476 0.000 0.943 76 R CA 0.741 56.440 56.100 -0.669 0.000 1.038 76 R CB 0.192 29.598 30.300 -1.490 0.000 0.957 76 R HN 0.439 nan 8.270 nan 0.000 0.484 77 G N -0.032 108.614 108.800 -0.258 0.000 2.157 77 G HA2 -0.217 3.742 3.960 -0.002 0.000 0.239 77 G HA3 -0.217 3.742 3.960 -0.002 0.000 0.239 77 G C 0.501 175.418 174.900 0.028 0.000 0.982 77 G CA 0.009 45.055 45.100 -0.091 0.000 0.650 77 G HN 0.597 nan 8.290 nan 0.000 0.527 78 G N -0.788 108.055 108.800 0.071 0.000 2.580 78 G HA2 0.582 4.541 3.960 -0.002 0.000 0.278 78 G HA3 0.582 4.541 3.960 -0.002 0.000 0.278 78 G C -0.156 174.812 174.900 0.113 0.000 1.212 78 G CA -0.612 44.650 45.100 0.270 0.000 0.939 78 G HN 0.300 nan 8.290 nan 0.000 0.513 79 R N -0.055 120.503 120.500 0.097 0.000 2.439 79 R HA 0.294 4.633 4.340 -0.002 0.000 0.310 79 R C -0.240 176.088 176.300 0.046 0.000 0.955 79 R CA -0.742 55.389 56.100 0.051 0.000 0.853 79 R CB 1.621 31.942 30.300 0.034 0.000 1.171 79 R HN 0.457 nan 8.270 nan 0.000 0.449 80 I N 3.689 124.280 120.570 0.035 0.000 2.598 80 I HA 0.053 4.222 4.170 -0.002 0.000 0.284 80 I C 0.651 176.783 176.117 0.025 0.000 1.140 80 I CA 0.674 61.994 61.300 0.033 0.000 1.420 80 I CB 0.343 38.359 38.000 0.027 0.000 1.387 80 I HN 0.192 nan 8.210 nan 0.000 0.553 81 R N 7.055 127.570 120.500 0.025 0.000 2.422 81 R HA 0.507 4.846 4.340 -0.002 0.000 0.307 81 R C -1.069 175.244 176.300 0.021 0.000 1.004 81 R CA -0.703 55.408 56.100 0.019 0.000 0.882 81 R CB 1.314 31.623 30.300 0.015 0.000 1.164 81 R HN 0.536 nan 8.270 nan 0.000 0.489 82 L N 2.429 123.664 121.223 0.020 0.000 2.418 82 L HA 0.359 4.698 4.340 -0.002 0.000 0.265 82 L C 0.381 177.263 176.870 0.019 0.000 1.143 82 L CA -0.580 54.273 54.840 0.022 0.000 0.809 82 L CB 0.767 42.838 42.059 0.019 0.000 1.124 82 L HN 0.357 nan 8.230 nan 0.000 0.456 83 Q N 0.204 120.018 119.800 0.024 0.000 2.528 83 Q HA 0.336 4.675 4.340 -0.002 0.000 0.289 83 Q C -1.420 174.596 176.000 0.028 0.000 1.091 83 Q CA -0.968 54.848 55.803 0.022 0.000 0.797 83 Q CB 1.733 30.484 28.738 0.021 0.000 1.466 83 Q HN 0.441 nan 8.270 nan 0.000 0.436 84 D N 0.957 121.374 120.400 0.029 0.000 2.506 84 D HA 0.090 4.730 4.640 -0.002 0.000 0.234 84 D C -0.064 176.273 176.300 0.062 0.000 1.143 84 D CA 0.623 54.646 54.000 0.038 0.000 0.871 84 D CB 0.481 41.308 40.800 0.044 0.000 1.190 84 D HN 0.273 nan 8.370 nan 0.000 0.459 85 I N 2.870 123.482 120.570 0.069 0.000 2.297 85 I HA 0.050 4.219 4.170 -0.002 0.000 0.291 85 I C 0.773 177.039 176.117 0.248 0.000 1.033 85 I CA -0.815 60.566 61.300 0.136 0.000 1.253 85 I CB 0.547 38.564 38.000 0.028 0.000 1.396 85 I HN -0.114 nan 8.210 nan 0.000 0.476 86 K N 6.709 127.293 120.400 0.306 0.000 2.382 86 K HA 0.093 4.412 4.320 -0.002 0.000 0.275 86 K C 0.169 177.071 176.600 0.503 0.000 1.009 86 K CA -0.232 56.245 56.287 0.317 0.000 0.970 86 K CB 0.688 33.289 32.500 0.167 0.000 0.934 86 K HN 0.591 nan 8.250 nan 0.000 0.479 87 K N 2.136 122.740 120.400 0.339 0.000 2.276 87 K HA 0.221 4.540 4.320 -0.002 0.000 0.259 87 K C -2.325 174.360 176.600 0.141 0.000 1.001 87 K CA -1.327 55.057 56.287 0.161 0.000 0.927 87 K CB -0.257 32.280 32.500 0.061 0.000 0.969 87 K HN 0.146 nan 8.250 nan 0.000 0.490 88 P HA 0.000 nan 4.420 nan 0.000 0.270 88 P C 0.229 177.560 177.300 0.051 0.000 1.223 88 P CA -0.312 62.809 63.100 0.035 0.000 0.785 88 P CB 0.525 32.252 31.700 0.045 0.000 0.923 89 E N 0.104 120.367 120.200 0.105 0.000 2.204 89 E HA -0.144 4.205 4.350 -0.002 0.000 0.195 89 E C 0.209 176.666 176.600 -0.239 0.000 0.990 89 E CA 1.384 57.772 56.400 -0.020 0.000 0.821 89 E CB 0.153 29.881 29.700 0.046 0.000 0.750 89 E HN 0.597 nan 8.360 nan 0.000 0.477 90 Q N -1.009 118.455 119.800 -0.559 0.000 2.456 90 Q HA 0.281 4.620 4.340 -0.002 0.000 0.283 90 Q C -0.204 175.258 176.000 -0.897 0.000 1.084 90 Q CA -0.591 54.723 55.803 -0.814 0.000 0.801 90 Q CB 1.780 29.803 28.738 -1.193 0.000 1.434 90 Q HN -0.172 nan 8.270 nan 0.000 0.419 91 D N -0.046 119.979 120.400 -0.624 0.000 2.423 91 D HA -0.020 4.619 4.640 -0.002 0.000 0.212 91 D C -0.532 175.477 176.300 -0.483 0.000 1.060 91 D CA 0.690 54.441 54.000 -0.416 0.000 0.872 91 D CB 0.720 41.410 40.800 -0.184 0.000 1.012 91 D HN 0.416 nan 8.370 nan 0.000 0.503 92 D N -0.280 119.772 120.400 -0.579 0.000 2.412 92 D HA 0.050 4.689 4.640 -0.002 0.000 0.224 92 D C -0.053 175.751 176.300 -0.827 0.000 1.093 92 D CA -0.592 53.129 54.000 -0.464 0.000 0.850 92 D CB 0.216 40.886 40.800 -0.218 0.000 1.046 92 D HN -0.026 nan 8.370 nan 0.000 0.507 93 W N 3.347 123.963 121.300 -1.141 0.000 3.405 93 W HA 0.140 4.799 4.660 -0.001 0.000 0.300 93 W C 1.397 177.584 176.519 -0.553 0.000 1.286 93 W CA -0.221 56.610 57.345 -0.858 0.000 1.762 93 W CB 0.108 29.015 29.460 -0.923 0.000 1.087 93 W HN 0.585 nan 8.180 nan 0.000 0.703 94 E N -1.063 118.910 120.200 -0.378 0.000 4.609 94 E HA -0.325 4.024 4.350 -0.002 0.000 0.178 94 E C 0.619 177.307 176.600 0.147 0.000 1.274 94 E CA 1.768 58.129 56.400 -0.065 0.000 2.344 94 E CB -1.570 28.016 29.700 -0.191 0.000 1.833 94 E HN 0.242 nan 8.360 nan 0.000 0.404 95 S N -1.968 113.871 115.700 0.232 0.000 2.611 95 S HA 0.560 5.029 4.470 -0.002 0.000 0.268 95 S C 0.798 175.668 174.600 0.451 0.000 1.156 95 S CA -0.343 58.046 58.200 0.315 0.000 0.817 95 S CB 1.268 64.582 63.200 0.188 0.000 1.122 95 S HN 0.404 nan 8.310 nan 0.000 0.466 96 G N 0.328 109.292 108.800 0.273 0.000 2.422 96 G HA2 -0.074 3.885 3.960 -0.002 0.000 0.218 96 G HA3 -0.074 3.885 3.960 -0.002 0.000 0.218 96 G C 1.189 176.246 174.900 0.261 0.000 1.146 96 G CA 1.093 46.172 45.100 -0.035 0.000 0.769 96 G HN 0.781 nan 8.290 nan 0.000 0.547 97 L N 0.130 121.459 121.223 0.177 0.000 2.017 97 L HA -0.001 4.338 4.340 -0.002 0.000 0.208 97 L C 2.494 179.493 176.870 0.215 0.000 1.073 97 L CA 2.538 57.471 54.840 0.154 0.000 0.745 97 L CB -0.998 41.117 42.059 0.093 0.000 0.894 97 L HN 0.369 nan 8.230 nan 0.000 0.432 98 H N -0.317 118.847 119.070 0.156 0.000 2.353 98 H HA -0.065 4.490 4.556 -0.001 0.000 0.300 98 H C 2.059 177.502 175.328 0.191 0.000 1.090 98 H CA 1.785 57.925 56.048 0.152 0.000 1.327 98 H CB -0.164 29.672 29.762 0.123 0.000 1.383 98 H HN 0.464 nan 8.280 nan 0.000 0.508 99 A N 0.446 123.404 122.820 0.230 0.000 1.902 99 A HA -0.159 4.161 4.320 -0.002 0.000 0.217 99 A C 2.340 179.976 177.584 0.087 0.000 1.181 99 A CA 1.728 53.797 52.037 0.054 0.000 0.623 99 A CB -0.454 18.691 19.000 0.241 0.000 0.818 99 A HN 0.409 nan 8.150 nan 0.000 0.443 100 M N -0.370 119.420 119.600 0.317 0.000 2.132 100 M HA -0.121 4.358 4.480 -0.002 0.000 0.263 100 M C 1.911 178.315 176.300 0.173 0.000 1.065 100 M CA 1.430 56.938 55.300 0.348 0.000 1.122 100 M CB -1.351 31.427 32.600 0.298 0.000 1.365 100 M HN 0.540 nan 8.290 nan 0.000 0.411 101 E N -0.599 119.650 120.200 0.081 0.000 2.106 101 E HA -0.173 4.176 4.350 -0.002 0.000 0.192 101 E C 2.168 178.755 176.600 -0.022 0.000 0.984 101 E CA 1.289 57.708 56.400 0.032 0.000 0.806 101 E CB -0.100 29.614 29.700 0.024 0.000 0.750 101 E HN 0.483 nan 8.360 nan 0.000 0.458 102 C N 0.690 119.914 119.300 -0.126 0.000 2.440 102 C HA -0.055 4.405 4.460 -0.002 0.000 0.278 102 C C 2.901 177.834 174.990 -0.094 0.000 1.295 102 C CA 0.765 59.706 59.018 -0.129 0.000 1.738 102 C CB -0.883 26.747 27.740 -0.183 0.000 1.987 102 C HN 0.509 nan 8.230 nan 0.000 0.492 103 A N 0.241 123.026 122.820 -0.057 0.000 1.933 103 A HA -0.129 4.190 4.320 -0.002 0.000 0.218 103 A C 2.031 179.694 177.584 0.132 0.000 1.175 103 A CA 1.599 53.672 52.037 0.060 0.000 0.628 103 A CB -0.622 18.626 19.000 0.413 0.000 0.814 103 A HN 0.494 nan 8.150 nan 0.000 0.444 104 L N -0.673 120.628 121.223 0.130 0.000 2.017 104 L HA -0.117 4.222 4.340 -0.002 0.000 0.208 104 L C 2.234 179.153 176.870 0.082 0.000 1.073 104 L CA 2.125 57.034 54.840 0.115 0.000 0.745 104 L CB -0.685 41.433 42.059 0.098 0.000 0.894 104 L HN 0.346 nan 8.230 nan 0.000 0.432 105 L N -0.866 120.391 121.223 0.057 0.000 2.046 105 L HA -0.168 4.171 4.340 -0.002 0.000 0.208 105 L C 2.357 179.263 176.870 0.059 0.000 1.077 105 L CA 1.980 56.852 54.840 0.053 0.000 0.747 105 L CB -0.936 41.149 42.059 0.043 0.000 0.896 105 L HN 0.423 nan 8.230 nan 0.000 0.432 106 L N -0.344 120.905 121.223 0.042 0.000 2.012 106 L HA -0.198 4.141 4.340 -0.002 0.000 0.210 106 L C 2.402 179.324 176.870 0.087 0.000 1.073 106 L CA 1.883 56.750 54.840 0.046 0.000 0.748 106 L CB -0.873 41.142 42.059 -0.072 0.000 0.891 106 L HN 0.350 nan 8.230 nan 0.000 0.431 107 E N -0.081 120.185 120.200 0.110 0.000 2.150 107 E HA -0.220 4.129 4.350 -0.002 0.000 0.193 107 E C 2.194 178.861 176.600 0.112 0.000 0.985 107 E CA 1.152 57.638 56.400 0.142 0.000 0.814 107 E CB -0.124 29.678 29.700 0.171 0.000 0.752 107 E HN 0.582 nan 8.360 nan 0.000 0.466 108 K N 0.684 121.138 120.400 0.089 0.000 2.097 108 K HA -0.050 4.270 4.320 -0.002 0.000 0.205 108 K C 1.910 178.552 176.600 0.070 0.000 1.050 108 K CA 1.014 57.344 56.287 0.071 0.000 0.938 108 K CB -0.074 32.461 32.500 0.059 0.000 0.718 108 K HN 0.104 nan 8.250 nan 0.000 0.442 109 N N -0.075 118.669 118.700 0.075 0.000 2.142 109 N HA -0.134 4.605 4.740 -0.002 0.000 0.186 109 N C 1.612 177.172 175.510 0.082 0.000 1.023 109 N CA 0.888 53.980 53.050 0.070 0.000 0.852 109 N CB 0.118 38.649 38.487 0.073 0.000 0.998 109 N HN -0.094 nan 8.380 nan 0.000 0.424 110 V N 1.366 121.345 119.914 0.108 0.000 2.427 110 V HA -0.184 3.935 4.120 -0.002 0.000 0.248 110 V C 1.997 178.159 176.094 0.114 0.000 1.051 110 V CA 1.399 63.776 62.300 0.129 0.000 1.048 110 V CB -0.607 31.322 31.823 0.176 0.000 0.666 110 V HN 0.362 nan 8.190 nan 0.000 0.456 111 N N 0.309 119.070 118.700 0.102 0.000 2.120 111 N HA -0.215 4.524 4.740 -0.002 0.000 0.188 111 N C 1.876 177.424 175.510 0.064 0.000 1.024 111 N CA 1.736 54.836 53.050 0.083 0.000 0.852 111 N CB -0.267 38.261 38.487 0.068 0.000 1.003 111 N HN 0.463 nan 8.380 nan 0.000 0.424 112 Q N 0.218 120.052 119.800 0.057 0.000 2.096 112 Q HA -0.078 4.261 4.340 -0.002 0.000 0.204 112 Q C 2.095 178.122 176.000 0.046 0.000 0.982 112 Q CA 1.968 57.798 55.803 0.044 0.000 0.850 112 Q CB -1.010 27.751 28.738 0.038 0.000 0.901 112 Q HN 0.333 nan 8.270 nan 0.000 0.422 113 S N -1.035 114.697 115.700 0.053 0.000 2.368 113 S HA -0.091 4.378 4.470 -0.002 0.000 0.225 113 S C 1.822 176.454 174.600 0.053 0.000 1.030 113 S CA 1.274 59.503 58.200 0.049 0.000 0.999 113 S CB -0.302 62.932 63.200 0.056 0.000 0.844 113 S HN 0.496 nan 8.310 nan 0.000 0.459 114 L N 0.834 122.096 121.223 0.066 0.000 2.093 114 L HA -0.042 4.297 4.340 -0.002 0.000 0.208 114 L C 2.398 179.320 176.870 0.086 0.000 1.085 114 L CA 0.931 55.812 54.840 0.068 0.000 0.755 114 L CB -0.442 41.671 42.059 0.090 0.000 0.904 114 L HN 0.338 nan 8.230 nan 0.000 0.435 115 L N -0.669 120.594 121.223 0.068 0.000 2.093 115 L HA -0.180 4.159 4.340 -0.002 0.000 0.208 115 L C 2.480 179.399 176.870 0.082 0.000 1.085 115 L CA 1.193 56.070 54.840 0.061 0.000 0.755 115 L CB -0.425 41.648 42.059 0.024 0.000 0.904 115 L HN 0.274 nan 8.230 nan 0.000 0.435 116 E N 0.110 120.345 120.200 0.058 0.000 2.106 116 E HA -0.228 4.121 4.350 -0.002 0.000 0.192 116 E C 2.310 178.940 176.600 0.050 0.000 0.984 116 E CA 0.877 57.304 56.400 0.046 0.000 0.806 116 E CB -0.073 29.643 29.700 0.028 0.000 0.750 116 E HN 0.419 nan 8.360 nan 0.000 0.458 117 L N 0.795 122.051 121.223 0.056 0.000 2.083 117 L HA -0.204 4.135 4.340 -0.002 0.000 0.209 117 L C 2.720 179.625 176.870 0.059 0.000 1.083 117 L CA 1.171 56.036 54.840 0.041 0.000 0.752 117 L CB -0.237 41.843 42.059 0.034 0.000 0.899 117 L HN 0.317 nan 8.230 nan 0.000 0.433 118 H N -0.245 118.834 119.070 0.016 0.000 2.357 118 H HA -0.117 4.438 4.556 -0.002 0.000 0.301 118 H C 2.023 177.359 175.328 0.013 0.000 1.082 118 H CA 1.502 57.565 56.048 0.024 0.000 1.342 118 H CB 0.291 30.069 29.762 0.026 0.000 1.389 118 H HN 0.423 nan 8.280 nan 0.000 0.511 119 A N 1.187 124.113 122.820 0.177 0.000 1.902 119 A HA -0.136 4.183 4.320 -0.002 0.000 0.217 119 A C 2.552 180.147 177.584 0.017 0.000 1.181 119 A CA 1.410 53.510 52.037 0.106 0.000 0.623 119 A CB -0.805 18.237 19.000 0.071 0.000 0.818 119 A HN 0.419 nan 8.150 nan 0.000 0.443 120 L N -0.204 121.015 121.223 -0.007 0.000 2.017 120 L HA -0.036 4.303 4.340 -0.002 0.000 0.208 120 L C 2.640 179.465 176.870 -0.076 0.000 1.073 120 L CA 2.283 57.091 54.840 -0.052 0.000 0.745 120 L CB -0.836 41.189 42.059 -0.056 0.000 0.894 120 L HN 0.320 nan 8.230 nan 0.000 0.432 121 A N -1.348 121.423 122.820 -0.082 0.000 1.933 121 A HA -0.189 4.131 4.320 -0.002 0.000 0.218 121 A C 2.370 179.893 177.584 -0.103 0.000 1.175 121 A CA 2.026 54.005 52.037 -0.096 0.000 0.628 121 A CB -0.953 17.965 19.000 -0.136 0.000 0.814 121 A HN 0.560 nan 8.150 nan 0.000 0.444 122 S N 0.162 115.789 115.700 -0.121 0.000 2.355 122 S HA -0.140 4.329 4.470 -0.002 0.000 0.222 122 S C 1.610 176.191 174.600 -0.033 0.000 1.031 122 S CA 1.338 59.500 58.200 -0.063 0.000 0.993 122 S CB -0.436 62.767 63.200 0.006 0.000 0.859 122 S HN 0.599 nan 8.310 nan 0.000 0.453 123 D N 1.174 121.552 120.400 -0.038 0.000 2.182 123 D HA -0.052 4.587 4.640 -0.002 0.000 0.201 123 D C 1.486 177.749 176.300 -0.061 0.000 0.986 123 D CA 0.941 54.914 54.000 -0.046 0.000 0.847 123 D CB -0.074 40.689 40.800 -0.061 0.000 0.942 123 D HN 0.178 nan 8.370 nan 0.000 0.467 124 K N -0.154 120.200 120.400 -0.076 0.000 2.458 124 K HA 0.183 4.502 4.320 -0.002 0.000 0.194 124 K C 0.870 177.470 176.600 -0.001 0.000 1.024 124 K CA 0.210 56.458 56.287 -0.066 0.000 1.108 124 K CB 0.230 32.669 32.500 -0.103 0.000 0.846 124 K HN 0.124 nan 8.250 nan 0.000 0.518 125 G N 2.801 111.599 108.800 -0.004 0.000 2.338 125 G HA2 -0.236 3.723 3.960 -0.002 0.000 0.296 125 G HA3 -0.236 3.723 3.960 -0.002 0.000 0.296 125 G C -0.539 174.384 174.900 0.037 0.000 1.040 125 G CA 0.382 45.492 45.100 0.016 0.000 1.004 125 G HN 0.295 nan 8.290 nan 0.000 0.509 126 D N 0.233 120.652 120.400 0.032 0.000 2.485 126 D HA 0.338 4.978 4.640 -0.002 0.000 0.256 126 D C -0.311 176.023 176.300 0.056 0.000 1.141 126 D CA -1.901 52.145 54.000 0.076 0.000 0.942 126 D CB 1.085 41.950 40.800 0.108 0.000 1.003 126 D HN 0.231 nan 8.370 nan 0.000 0.507 127 P HA -0.179 nan 4.420 nan 0.000 0.218 127 P C 1.424 178.772 177.300 0.081 0.000 1.149 127 P CA 0.849 63.981 63.100 0.054 0.000 0.817 127 P CB 0.219 31.956 31.700 0.063 0.000 0.785 128 H N 0.369 119.470 119.070 0.053 0.000 2.353 128 H HA -0.104 4.451 4.556 -0.002 0.000 0.300 128 H C 1.876 177.272 175.328 0.113 0.000 1.090 128 H CA 1.193 57.286 56.048 0.074 0.000 1.327 128 H CB -0.390 29.398 29.762 0.043 0.000 1.383 128 H HN -0.040 nan 8.280 nan 0.000 0.508 129 L N 0.846 122.103 121.223 0.057 0.000 2.056 129 L HA -0.113 4.226 4.340 -0.002 0.000 0.207 129 L C 2.741 179.631 176.870 0.033 0.000 1.078 129 L CA 1.412 56.277 54.840 0.042 0.000 0.749 129 L CB -1.207 40.920 42.059 0.114 0.000 0.901 129 L HN 0.334 nan 8.230 nan 0.000 0.433 130 C N -0.008 119.253 119.300 -0.065 0.000 2.413 130 C HA -0.196 4.263 4.460 -0.002 0.000 0.276 130 C C 2.550 177.574 174.990 0.057 0.000 1.236 130 C CA 1.238 60.151 59.018 -0.176 0.000 1.735 130 C CB -1.143 26.446 27.740 -0.251 0.000 2.031 130 C HN 0.750 nan 8.230 nan 0.000 0.474 131 D N -0.503 119.919 120.400 0.037 0.000 2.144 131 D HA -0.195 4.444 4.640 -0.002 0.000 0.199 131 D C 1.882 178.209 176.300 0.046 0.000 0.984 131 D CA 1.126 55.146 54.000 0.034 0.000 0.834 131 D CB -0.309 40.494 40.800 0.005 0.000 0.955 131 D HN 0.508 nan 8.370 nan 0.000 0.465 132 F N 0.710 120.604 119.950 -0.093 0.000 2.102 132 F HA -0.103 4.423 4.527 -0.001 0.000 0.298 132 F C 1.785 177.716 175.800 0.218 0.000 1.105 132 F CA 1.315 59.354 58.000 0.066 0.000 1.239 132 F CB -0.217 38.765 39.000 -0.031 0.000 0.991 132 F HN -0.001 nan 8.300 nan 0.000 0.474 133 L N 0.189 121.577 121.223 0.274 0.000 2.017 133 L HA -0.198 4.141 4.340 -0.002 0.000 0.208 133 L C 2.415 179.371 176.870 0.142 0.000 1.073 133 L CA 1.849 56.818 54.840 0.216 0.000 0.745 133 L CB -0.860 41.360 42.059 0.269 0.000 0.894 133 L HN 0.180 nan 8.230 nan 0.000 0.432 134 E N -0.448 119.819 120.200 0.112 0.000 2.051 134 E HA -0.182 4.167 4.350 -0.002 0.000 0.192 134 E C 2.098 178.624 176.600 -0.123 0.000 0.991 134 E CA 1.819 58.226 56.400 0.012 0.000 0.799 134 E CB -0.244 29.473 29.700 0.030 0.000 0.748 134 E HN 0.424 nan 8.360 nan 0.000 0.449 135 T N 0.041 114.445 114.554 -0.250 0.000 2.746 135 T HA -0.151 4.198 4.350 -0.002 0.000 0.267 135 T C 1.265 175.519 174.700 -0.743 0.000 1.039 135 T CA 1.408 63.174 62.100 -0.556 0.000 1.142 135 T CB -0.233 68.121 68.868 -0.856 0.000 0.866 135 T HN 0.267 nan 8.240 nan 0.000 0.444 136 Y N -1.864 118.271 120.300 -0.276 0.000 2.462 136 Y HA 0.324 4.873 4.550 -0.002 0.000 0.253 136 Y C 1.449 176.932 175.900 -0.695 0.000 1.095 136 Y CA -0.346 57.467 58.100 -0.479 0.000 1.283 136 Y CB 0.404 38.459 38.460 -0.675 0.000 1.138 136 Y HN 0.186 nan 8.280 nan 0.000 0.522 137 Y N -1.586 118.595 120.300 -0.198 0.000 2.673 137 Y HA 0.127 4.677 4.550 -0.001 0.000 0.278 137 Y C 1.901 177.729 175.900 -0.119 0.000 1.127 137 Y CA -0.140 57.853 58.100 -0.178 0.000 1.261 137 Y CB -0.417 37.968 38.460 -0.124 0.000 1.412 137 Y HN -0.144 nan 8.280 nan 0.000 0.496 138 L N 0.248 121.509 121.223 0.064 0.000 2.017 138 L HA -0.227 4.112 4.340 -0.002 0.000 0.208 138 L C 1.978 178.833 176.870 -0.025 0.000 1.073 138 L CA 2.060 56.911 54.840 0.017 0.000 0.745 138 L CB -0.523 41.530 42.059 -0.010 0.000 0.894 138 L HN 0.259 nan 8.230 nan 0.000 0.432 139 N N -0.256 118.410 118.700 -0.058 0.000 2.331 139 N HA -0.199 4.541 4.740 -0.002 0.000 0.180 139 N C 1.851 177.327 175.510 -0.056 0.000 1.019 139 N CA 0.654 53.669 53.050 -0.059 0.000 0.881 139 N CB 0.035 38.478 38.487 -0.074 0.000 0.972 139 N HN 0.172 nan 8.380 nan 0.000 0.435 140 E N 0.333 120.482 120.200 -0.085 0.000 2.077 140 E HA -0.184 4.165 4.350 -0.002 0.000 0.193 140 E C 1.382 177.967 176.600 -0.025 0.000 0.989 140 E CA 1.092 57.443 56.400 -0.082 0.000 0.800 140 E CB -0.011 29.575 29.700 -0.191 0.000 0.746 140 E HN 0.400 nan 8.360 nan 0.000 0.452 141 Q N 0.268 120.062 119.800 -0.009 0.000 2.050 141 Q HA -0.075 4.264 4.340 -0.002 0.000 0.202 141 Q C 2.445 178.464 176.000 0.032 0.000 0.980 141 Q CA 0.942 56.770 55.803 0.041 0.000 0.840 141 Q CB -0.640 28.133 28.738 0.059 0.000 0.898 141 Q HN 0.203 nan 8.270 nan 0.000 0.424 142 V N 1.376 121.295 119.914 0.009 0.000 2.343 142 V HA -0.264 3.855 4.120 -0.002 0.000 0.247 142 V C 2.242 178.337 176.094 0.001 0.000 1.051 142 V CA 1.799 64.101 62.300 0.003 0.000 1.036 142 V CB -0.373 31.443 31.823 -0.012 0.000 0.654 142 V HN 0.357 nan 8.190 nan 0.000 0.451 143 K N -0.355 120.042 120.400 -0.005 0.000 2.097 143 K HA -0.145 4.174 4.320 -0.002 0.000 0.205 143 K C 2.492 179.094 176.600 0.003 0.000 1.050 143 K CA 1.555 57.837 56.287 -0.008 0.000 0.938 143 K CB -0.331 32.161 32.500 -0.014 0.000 0.718 143 K HN 0.403 nan 8.250 nan 0.000 0.442 144 S N 1.107 116.822 115.700 0.026 0.000 2.368 144 S HA -0.078 4.392 4.470 -0.002 0.000 0.224 144 S C 1.948 176.582 174.600 0.056 0.000 1.029 144 S CA 0.847 59.077 58.200 0.051 0.000 0.988 144 S CB -0.146 63.108 63.200 0.090 0.000 0.838 144 S HN 0.177 nan 8.310 nan 0.000 0.462 145 I N 1.207 121.809 120.570 0.054 0.000 2.226 145 I HA -0.145 4.024 4.170 -0.002 0.000 0.245 145 I C 2.568 178.698 176.117 0.022 0.000 1.100 145 I CA 1.404 62.736 61.300 0.053 0.000 1.374 145 I CB -0.286 37.743 38.000 0.049 0.000 1.057 145 I HN 0.266 nan 8.210 nan 0.000 0.413 146 K N 1.471 121.872 120.400 0.001 0.000 2.057 146 K HA -0.243 4.077 4.320 -0.002 0.000 0.207 146 K C 1.966 178.530 176.600 -0.061 0.000 1.049 146 K CA 1.795 58.070 56.287 -0.020 0.000 0.931 146 K CB -0.298 32.189 32.500 -0.022 0.000 0.714 146 K HN 0.352 nan 8.250 nan 0.000 0.440 147 E N 0.043 120.190 120.200 -0.089 0.000 2.058 147 E HA -0.186 4.163 4.350 -0.002 0.000 0.194 147 E C 1.972 178.342 176.600 -0.383 0.000 0.997 147 E CA 1.458 57.718 56.400 -0.233 0.000 0.801 147 E CB -0.170 29.435 29.700 -0.159 0.000 0.746 147 E HN 0.353 nan 8.360 nan 0.000 0.450 148 L N 0.171 121.315 121.223 -0.131 0.000 2.083 148 L HA -0.091 4.249 4.340 -0.002 0.000 0.209 148 L C 2.640 179.517 176.870 0.012 0.000 1.083 148 L CA 1.129 55.963 54.840 -0.009 0.000 0.752 148 L CB -0.636 41.503 42.059 0.134 0.000 0.899 148 L HN 0.334 nan 8.230 nan 0.000 0.433 149 G N -0.315 108.489 108.800 0.007 0.000 2.418 149 G HA2 -0.272 3.687 3.960 -0.002 0.000 0.217 149 G HA3 -0.272 3.687 3.960 -0.002 0.000 0.217 149 G C 1.109 176.047 174.900 0.062 0.000 1.158 149 G CA 0.926 46.050 45.100 0.040 0.000 0.771 149 G HN 0.290 nan 8.290 nan 0.000 0.545 150 D N 0.153 120.558 120.400 0.008 0.000 2.104 150 D HA -0.095 4.544 4.640 -0.002 0.000 0.194 150 D C 2.255 178.682 176.300 0.212 0.000 0.994 150 D CA 1.005 55.054 54.000 0.082 0.000 0.830 150 D CB -0.369 40.434 40.800 0.005 0.000 0.959 150 D HN 0.294 nan 8.370 nan 0.000 0.452 151 H N -0.063 119.065 119.070 0.098 0.000 2.321 151 H HA -0.010 4.545 4.556 -0.002 0.000 0.300 151 H C 2.430 177.679 175.328 -0.132 0.000 1.087 151 H CA 0.486 56.565 56.048 0.052 0.000 1.319 151 H CB -0.711 29.070 29.762 0.031 0.000 1.379 151 H HN 0.007 nan 8.280 nan 0.000 0.501 152 V N 0.863 120.835 119.914 0.096 0.000 2.287 152 V HA -0.303 3.816 4.120 -0.002 0.000 0.248 152 V C 2.439 178.535 176.094 0.003 0.000 1.053 152 V CA 2.357 64.676 62.300 0.032 0.000 1.027 152 V CB -0.686 31.184 31.823 0.077 0.000 0.646 152 V HN 0.493 nan 8.190 nan 0.000 0.447 153 H N 0.906 119.989 119.070 0.021 0.000 2.289 153 H HA -0.175 4.380 4.556 -0.002 0.000 0.296 153 H C 2.239 177.577 175.328 0.016 0.000 1.091 153 H CA 2.393 58.454 56.048 0.023 0.000 1.274 153 H CB -0.304 29.478 29.762 0.034 0.000 1.364 153 H HN 0.366 nan 8.280 nan 0.000 0.490 154 N N 0.053 118.640 118.700 -0.188 0.000 2.120 154 N HA -0.136 4.603 4.740 -0.002 0.000 0.188 154 N C 2.158 177.524 175.510 -0.239 0.000 1.024 154 N CA 1.404 54.347 53.050 -0.177 0.000 0.852 154 N CB -0.152 38.440 38.487 0.175 0.000 1.003 154 N HN 0.376 nan 8.380 nan 0.000 0.424 155 L N 0.668 121.680 121.223 -0.351 0.000 2.046 155 L HA -0.125 4.214 4.340 -0.002 0.000 0.208 155 L C 2.364 179.134 176.870 -0.167 0.000 1.077 155 L CA 0.706 55.354 54.840 -0.320 0.000 0.747 155 L CB -0.355 41.480 42.059 -0.373 0.000 0.896 155 L HN -0.043 nan 8.230 nan 0.000 0.432 156 V N -0.057 119.759 119.914 -0.163 0.000 2.295 156 V HA -0.281 3.838 4.120 -0.002 0.000 0.246 156 V C 2.548 178.572 176.094 -0.118 0.000 1.049 156 V CA 1.895 64.132 62.300 -0.104 0.000 1.024 156 V CB -0.455 31.328 31.823 -0.066 0.000 0.648 156 V HN 0.376 nan 8.190 nan 0.000 0.447 157 K N 0.461 120.723 120.400 -0.230 0.000 2.097 157 K HA -0.113 4.206 4.320 -0.002 0.000 0.206 157 K C 1.914 178.467 176.600 -0.079 0.000 1.049 157 K CA 1.831 58.014 56.287 -0.174 0.000 0.933 157 K CB -0.467 31.849 32.500 -0.307 0.000 0.717 157 K HN 0.424 nan 8.250 nan 0.000 0.442 158 M N -1.192 118.364 119.600 -0.073 0.000 2.549 158 M HA 0.074 4.553 4.480 -0.002 0.000 0.260 158 M C 0.988 177.290 176.300 0.004 0.000 1.076 158 M CA 1.196 56.491 55.300 -0.009 0.000 1.090 158 M CB 0.149 32.765 32.600 0.026 0.000 1.418 158 M HN 0.475 nan 8.290 nan 0.000 0.486 159 G N 0.148 108.941 108.800 -0.012 0.000 2.159 159 G HA2 -0.142 3.817 3.960 -0.002 0.000 0.227 159 G HA3 -0.142 3.817 3.960 -0.002 0.000 0.227 159 G C 0.166 175.073 174.900 0.012 0.000 0.986 159 G CA -0.150 44.953 45.100 0.004 0.000 0.651 159 G HN 0.702 nan 8.290 nan 0.000 0.523 160 A N 0.726 123.548 122.820 0.004 0.000 2.466 160 A HA 0.648 4.967 4.320 -0.002 0.000 0.238 160 A C 0.022 177.620 177.584 0.023 0.000 1.074 160 A CA -0.019 52.029 52.037 0.018 0.000 0.774 160 A CB 0.544 19.545 19.000 0.001 0.000 1.015 160 A HN 0.209 nan 8.150 nan 0.000 0.498 161 P HA 0.040 nan 4.420 nan 0.000 0.252 161 P C -0.004 177.320 177.300 0.040 0.000 1.218 161 P CA 0.495 63.623 63.100 0.046 0.000 0.807 161 P CB 0.350 32.086 31.700 0.059 0.000 1.072 162 D N 1.212 121.630 120.400 0.030 0.000 2.178 162 D HA -0.007 4.632 4.640 -0.002 0.000 0.202 162 D C 1.071 177.387 176.300 0.026 0.000 0.974 162 D CA 0.693 54.708 54.000 0.025 0.000 0.841 162 D CB -0.592 40.218 40.800 0.018 0.000 0.953 162 D HN 0.129 nan 8.370 nan 0.000 0.478 163 A N 0.471 123.309 122.820 0.030 0.000 2.438 163 A HA 0.447 4.766 4.320 -0.002 0.000 0.280 163 A C 1.697 179.307 177.584 0.044 0.000 1.160 163 A CA 0.252 52.309 52.037 0.033 0.000 0.821 163 A CB 0.357 19.378 19.000 0.035 0.000 1.101 163 A HN 0.182 nan 8.150 nan 0.000 0.515 164 G N 1.914 110.735 108.800 0.034 0.000 2.485 164 G HA2 -0.193 3.766 3.960 -0.002 0.000 0.221 164 G HA3 -0.193 3.766 3.960 -0.002 0.000 0.221 164 G C 1.085 176.017 174.900 0.054 0.000 1.115 164 G CA 1.170 46.290 45.100 0.033 0.000 0.751 164 G HN 0.677 nan 8.290 nan 0.000 0.567 165 L N 0.059 121.322 121.223 0.066 0.000 2.446 165 L HA 0.237 4.576 4.340 -0.002 0.000 0.219 165 L C 3.175 180.156 176.870 0.185 0.000 1.116 165 L CA 0.356 55.265 54.840 0.114 0.000 0.844 165 L CB -0.208 41.906 42.059 0.092 0.000 0.970 165 L HN 0.265 nan 8.230 nan 0.000 0.457 166 A N 0.953 123.858 122.820 0.142 0.000 1.841 166 A HA -0.237 4.082 4.320 -0.002 0.000 0.216 166 A C 2.163 179.878 177.584 0.218 0.000 1.199 166 A CA 1.837 53.965 52.037 0.153 0.000 0.621 166 A CB -0.487 18.565 19.000 0.087 0.000 0.835 166 A HN 0.417 nan 8.150 nan 0.000 0.445 167 E N -1.849 118.467 120.200 0.194 0.000 2.110 167 E HA -0.208 4.141 4.350 -0.002 0.000 0.193 167 E C 1.907 178.703 176.600 0.326 0.000 0.988 167 E CA 1.397 57.944 56.400 0.246 0.000 0.804 167 E CB -0.330 29.408 29.700 0.063 0.000 0.745 167 E HN 0.777 nan 8.360 nan 0.000 0.458 168 Y N 1.523 121.911 120.300 0.146 0.000 2.128 168 Y HA -0.222 4.327 4.550 -0.001 0.000 0.284 168 Y C 2.000 177.961 175.900 0.102 0.000 1.154 168 Y CA 1.474 59.642 58.100 0.113 0.000 1.149 168 Y CB -0.114 38.384 38.460 0.064 0.000 0.976 168 Y HN -0.064 nan 8.280 nan 0.000 0.505 169 L N -1.475 119.902 121.223 0.256 0.000 2.109 169 L HA -0.167 4.172 4.340 -0.002 0.000 0.207 169 L C 2.270 179.211 176.870 0.117 0.000 1.086 169 L CA 1.219 56.162 54.840 0.172 0.000 0.760 169 L CB -0.651 41.594 42.059 0.310 0.000 0.910 169 L HN 0.265 nan 8.230 nan 0.000 0.437 170 F N 1.065 121.040 119.950 0.042 0.000 2.134 170 F HA -0.271 4.256 4.527 -0.001 0.000 0.299 170 F C 2.402 178.085 175.800 -0.194 0.000 1.097 170 F CA 1.852 59.826 58.000 -0.044 0.000 1.264 170 F CB -0.235 38.768 39.000 0.004 0.000 1.001 170 F HN 0.183 nan 8.300 nan 0.000 0.479 171 D N -0.466 119.961 120.400 0.045 0.000 2.097 171 D HA -0.219 4.420 4.640 -0.002 0.000 0.195 171 D C 2.084 178.163 176.300 -0.369 0.000 0.989 171 D CA 2.313 56.227 54.000 -0.144 0.000 0.827 171 D CB -0.178 40.695 40.800 0.121 0.000 0.966 171 D HN 0.451 nan 8.370 nan 0.000 0.456 172 T N -2.499 111.785 114.554 -0.449 0.000 2.812 172 T HA -0.109 4.240 4.350 -0.002 0.000 0.264 172 T C 1.814 176.185 174.700 -0.549 0.000 1.042 172 T CA 1.402 63.166 62.100 -0.559 0.000 1.140 172 T CB -0.548 67.867 68.868 -0.756 0.000 0.870 172 T HN 0.302 nan 8.240 nan 0.000 0.445 173 H N 0.502 119.392 119.070 -0.300 0.000 2.316 173 H HA 0.221 4.776 4.556 -0.002 0.000 0.314 173 H C 2.756 177.834 175.328 -0.417 0.000 1.057 173 H CA 1.363 57.237 56.048 -0.290 0.000 1.402 173 H CB -0.204 29.434 29.762 -0.206 0.000 1.443 173 H HN 0.226 nan 8.280 nan 0.000 0.559 174 T N 1.004 115.231 114.554 -0.545 0.000 2.770 174 T HA -0.037 4.312 4.350 -0.002 0.000 0.263 174 T C 1.821 176.067 174.700 -0.758 0.000 1.039 174 T CA 0.981 62.618 62.100 -0.772 0.000 1.142 174 T CB -0.147 67.853 68.868 -1.446 0.000 0.868 174 T HN 0.145 nan 8.240 nan 0.000 0.435 175 L N 0.637 121.325 121.223 -0.891 0.000 2.558 175 L HA 0.281 4.621 4.340 -0.002 0.000 0.225 175 L C 1.669 178.281 176.870 -0.430 0.000 1.128 175 L CA -0.469 53.949 54.840 -0.704 0.000 0.868 175 L CB -0.632 40.898 42.059 -0.882 0.000 1.006 175 L HN 0.197 nan 8.230 nan 0.000 0.454 176 G N 0.000 108.573 108.800 -0.378 0.000 5.446 176 G HA2 0.000 3.959 3.960 -0.002 0.000 0.244 176 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 176 G CA 0.000 44.941 45.100 -0.265 0.000 0.502 176 G HN 0.000 nan 8.290 nan 0.000 0.925