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 2hc4_1_A DATA FIRST_RESID 154 DATA SEQUENCE HMLSDEQMQI INSLVEAHHK TYDDSYSDFV RFRPPVRXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXRLS DATA SEQUENCE MLPHLADLVS YSIQKVIGFA KMIPGFRDLT AEDQIALLKS SAIEIIMLRS DATA SEQUENCE NQSFSLEDMS WSCGGPDFKY CINDVTKAGH TLELLEPLVK FQVGLKKLKL DATA SEQUENCE HEEEHVLLMA ICLLSPDRPG VQDHVRIEAL QDRLCDVLQA YIRIQHPGGR DATA SEQUENCE LLYAKMIQKL ADLRSLNEEH SKQYRSLSFQ PEHSMQLTPL VLEVFGSEV 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 154 H HA 0.000 nan 4.556 nan 0.000 0.296 154 H C 0.000 175.318 175.328 -0.016 0.000 0.993 154 H CA 0.000 56.039 56.048 -0.015 0.000 1.023 154 H CB 0.000 29.754 29.762 -0.014 0.000 1.292 155 M N 1.167 120.556 119.600 -0.351 0.000 2.490 155 M HA 0.400 4.878 4.480 -0.002 0.000 0.286 155 M C -1.525 174.702 176.300 -0.121 0.000 1.185 155 M CA -0.914 54.250 55.300 -0.226 0.000 0.912 155 M CB 2.087 34.528 32.600 -0.264 0.000 1.744 155 M HN 0.336 nan 8.290 nan 0.000 0.494 156 L N 2.508 123.714 121.223 -0.030 0.000 2.499 156 L HA 0.250 4.589 4.340 -0.002 0.000 0.281 156 L C 0.922 177.803 176.870 0.018 0.000 1.234 156 L CA 0.036 54.893 54.840 0.029 0.000 0.839 156 L CB 0.473 42.565 42.059 0.054 0.000 1.104 156 L HN 0.984 nan 8.230 nan 0.000 0.500 157 S N -0.428 115.301 115.700 0.048 0.000 2.693 157 S HA 0.207 4.676 4.470 -0.002 0.000 0.276 157 S C 0.361 174.981 174.600 0.034 0.000 1.192 157 S CA -0.750 57.475 58.200 0.042 0.000 0.994 157 S CB 1.558 64.790 63.200 0.055 0.000 1.012 157 S HN 0.602 nan 8.310 nan 0.000 0.550 158 D N 0.642 121.058 120.400 0.027 0.000 2.097 158 D HA -0.096 4.542 4.640 -0.002 0.000 0.195 158 D C 1.814 178.130 176.300 0.027 0.000 0.989 158 D CA 1.628 55.642 54.000 0.024 0.000 0.827 158 D CB -0.187 40.624 40.800 0.019 0.000 0.966 158 D HN 0.823 nan 8.370 nan 0.000 0.456 159 E N 0.422 120.639 120.200 0.027 0.000 2.058 159 E HA -0.262 4.087 4.350 -0.002 0.000 0.194 159 E C 1.946 178.565 176.600 0.031 0.000 0.997 159 E CA 1.060 57.476 56.400 0.026 0.000 0.801 159 E CB 0.036 29.751 29.700 0.024 0.000 0.746 159 E HN 0.349 nan 8.360 nan 0.000 0.450 160 Q N -0.187 119.637 119.800 0.040 0.000 2.096 160 Q HA -0.181 4.158 4.340 -0.002 0.000 0.204 160 Q C 2.254 178.288 176.000 0.056 0.000 0.982 160 Q CA 1.654 57.488 55.803 0.051 0.000 0.850 160 Q CB -0.177 28.600 28.738 0.065 0.000 0.901 160 Q HN 0.409 nan 8.270 nan 0.000 0.422 161 M N 0.370 120.003 119.600 0.055 0.000 2.254 161 M HA -0.189 4.289 4.480 -0.002 0.000 0.265 161 M C 1.649 177.974 176.300 0.043 0.000 1.066 161 M CA 1.588 56.924 55.300 0.059 0.000 1.123 161 M CB -0.014 32.618 32.600 0.052 0.000 1.388 161 M HN 0.211 nan 8.290 nan 0.000 0.425 162 Q N 0.137 119.956 119.800 0.032 0.000 2.167 162 Q HA -0.105 4.233 4.340 -0.002 0.000 0.202 162 Q C 2.002 178.011 176.000 0.015 0.000 0.970 162 Q CA 1.379 57.195 55.803 0.022 0.000 0.855 162 Q CB -0.042 28.707 28.738 0.017 0.000 0.911 162 Q HN 0.583 nan 8.270 nan 0.000 0.438 163 I N 0.510 121.090 120.570 0.016 0.000 2.252 163 I HA -0.272 3.897 4.170 -0.002 0.000 0.245 163 I C 2.142 178.259 176.117 0.000 0.000 1.102 163 I CA 1.043 62.346 61.300 0.005 0.000 1.385 163 I CB -0.152 37.856 38.000 0.012 0.000 1.064 163 I HN 0.203 nan 8.210 nan 0.000 0.414 164 I N 0.683 121.260 120.570 0.013 0.000 2.226 164 I HA -0.290 3.878 4.170 -0.002 0.000 0.245 164 I C 2.167 178.282 176.117 -0.003 0.000 1.100 164 I CA 1.247 62.547 61.300 -0.000 0.000 1.374 164 I CB -0.562 37.451 38.000 0.021 0.000 1.057 164 I HN 0.294 nan 8.210 nan 0.000 0.413 165 N N 0.692 119.398 118.700 0.011 0.000 2.069 165 N HA -0.145 4.594 4.740 -0.002 0.000 0.191 165 N C 2.042 177.552 175.510 -0.001 0.000 1.031 165 N CA 1.480 54.536 53.050 0.010 0.000 0.852 165 N CB -0.383 38.116 38.487 0.020 0.000 1.018 165 N HN 0.165 nan 8.380 nan 0.000 0.423 166 S N 0.736 116.433 115.700 -0.006 0.000 2.356 166 S HA 0.005 4.474 4.470 -0.002 0.000 0.223 166 S C 2.058 176.642 174.600 -0.026 0.000 1.032 166 S CA 0.711 58.900 58.200 -0.019 0.000 1.005 166 S CB -0.228 62.952 63.200 -0.033 0.000 0.867 166 S HN 0.248 nan 8.310 nan 0.000 0.449 167 L N 0.827 122.037 121.223 -0.023 0.000 2.056 167 L HA -0.061 4.278 4.340 -0.002 0.000 0.207 167 L C 2.354 179.289 176.870 0.108 0.000 1.078 167 L CA 0.826 55.684 54.840 0.031 0.000 0.749 167 L CB -0.673 41.411 42.059 0.042 0.000 0.901 167 L HN 0.193 nan 8.230 nan 0.000 0.433 168 V N 0.059 119.970 119.914 -0.006 0.000 2.343 168 V HA -0.314 3.805 4.120 -0.002 0.000 0.247 168 V C 2.480 178.418 176.094 -0.260 0.000 1.051 168 V CA 2.110 64.326 62.300 -0.140 0.000 1.036 168 V CB -0.454 31.268 31.823 -0.169 0.000 0.654 168 V HN 0.517 nan 8.190 nan 0.000 0.451 169 E N -0.016 120.128 120.200 -0.094 0.000 2.106 169 E HA -0.175 4.173 4.350 -0.002 0.000 0.192 169 E C 2.236 178.887 176.600 0.084 0.000 0.984 169 E CA 1.115 57.514 56.400 -0.001 0.000 0.806 169 E CB -0.166 29.558 29.700 0.041 0.000 0.750 169 E HN 0.566 nan 8.360 nan 0.000 0.458 170 A N 0.616 123.501 122.820 0.110 0.000 1.877 170 A HA -0.248 4.071 4.320 -0.002 0.000 0.216 170 A C 2.009 179.812 177.584 0.365 0.000 1.186 170 A CA 1.989 54.139 52.037 0.187 0.000 0.620 170 A CB -0.990 18.056 19.000 0.077 0.000 0.822 170 A HN 0.483 nan 8.150 nan 0.000 0.443 171 H N -0.821 118.436 119.070 0.311 0.000 2.353 171 H HA -0.144 4.410 4.556 -0.002 0.000 0.300 171 H C 1.847 177.313 175.328 0.230 0.000 1.090 171 H CA 2.231 58.400 56.048 0.202 0.000 1.327 171 H CB -0.513 29.275 29.762 0.043 0.000 1.383 171 H HN 0.762 nan 8.280 nan 0.000 0.508 172 H N -0.533 118.573 119.070 0.061 0.000 2.421 172 H HA -0.070 4.484 4.556 -0.002 0.000 0.298 172 H C 1.953 177.277 175.328 -0.006 0.000 1.087 172 H CA 0.980 57.011 56.048 -0.028 0.000 1.330 172 H CB 0.255 30.034 29.762 0.029 0.000 1.388 172 H HN 0.269 nan 8.280 nan 0.000 0.526 173 K N 0.995 121.498 120.400 0.172 0.000 2.459 173 K HA -0.043 4.275 4.320 -0.002 0.000 0.193 173 K C 0.797 177.448 176.600 0.086 0.000 1.030 173 K CA 1.308 57.661 56.287 0.110 0.000 1.026 173 K CB 0.451 33.012 32.500 0.101 0.000 0.809 173 K HN 0.309 nan 8.250 nan 0.000 0.504 174 T N -3.063 111.550 114.554 0.099 0.000 3.170 174 T HA 0.110 4.459 4.350 -0.002 0.000 0.288 174 T C -0.656 174.090 174.700 0.076 0.000 0.992 174 T CA -0.555 61.592 62.100 0.079 0.000 0.909 174 T CB -0.075 68.877 68.868 0.141 0.000 1.133 174 T HN 0.086 nan 8.240 nan 0.000 0.530 175 Y N 2.225 122.463 120.300 -0.103 0.000 2.344 175 Y HA 0.501 5.049 4.550 -0.002 0.000 0.328 175 Y C -1.433 174.397 175.900 -0.116 0.000 1.067 175 Y CA -1.955 56.081 58.100 -0.108 0.000 1.247 175 Y CB 1.161 39.419 38.460 -0.337 0.000 1.113 175 Y HN 0.153 nan 8.280 nan 0.000 0.465 176 D N 3.549 123.855 120.400 -0.156 0.000 2.325 176 D HA 0.091 4.730 4.640 -0.002 0.000 0.251 176 D C 0.520 176.541 176.300 -0.465 0.000 1.196 176 D CA 0.320 54.205 54.000 -0.192 0.000 0.866 176 D CB 0.958 41.664 40.800 -0.156 0.000 1.101 176 D HN 0.603 nan 8.370 nan 0.000 0.476 177 D N 1.887 122.107 120.400 -0.300 0.000 2.371 177 D HA -0.108 4.530 4.640 -0.002 0.000 0.221 177 D C 1.314 177.162 176.300 -0.752 0.000 0.986 177 D CA 0.555 54.275 54.000 -0.466 0.000 0.899 177 D CB 0.376 41.091 40.800 -0.142 0.000 0.902 177 D HN 0.499 nan 8.370 nan 0.000 0.530 178 S N -0.751 114.591 115.700 -0.596 0.000 2.492 178 S HA -0.084 4.384 4.470 -0.002 0.000 0.218 178 S C 0.795 175.170 174.600 -0.375 0.000 1.016 178 S CA -0.271 57.706 58.200 -0.372 0.000 0.916 178 S CB -0.317 62.770 63.200 -0.188 0.000 0.791 178 S HN 0.298 nan 8.310 nan 0.000 0.513 179 Y N 2.049 122.162 120.300 -0.312 0.000 3.825 179 Y HA -0.282 4.267 4.550 -0.002 0.000 0.221 179 Y C 1.736 177.334 175.900 -0.503 0.000 1.195 179 Y CA 0.321 58.021 58.100 -0.667 0.000 1.699 179 Y CB -2.907 34.840 38.460 -1.187 0.000 1.531 179 Y HN 0.559 nan 8.280 nan 0.000 0.640 180 S N -1.452 114.149 115.700 -0.165 0.000 2.442 180 S HA -0.180 4.289 4.470 -0.002 0.000 0.236 180 S C 1.430 175.976 174.600 -0.090 0.000 1.007 180 S CA 1.336 59.486 58.200 -0.083 0.000 0.965 180 S CB 0.041 63.211 63.200 -0.050 0.000 0.773 180 S HN 0.557 nan 8.310 nan 0.000 0.504 181 D N 0.829 121.158 120.400 -0.117 0.000 2.269 181 D HA 0.028 4.667 4.640 -0.002 0.000 0.208 181 D C 1.069 177.020 176.300 -0.582 0.000 0.963 181 D CA 0.533 54.407 54.000 -0.210 0.000 0.864 181 D CB -0.373 40.337 40.800 -0.151 0.000 0.936 181 D HN 0.386 nan 8.370 nan 0.000 0.505 182 F N 1.070 120.385 119.950 -1.057 0.000 2.346 182 F HA -0.144 4.382 4.527 -0.002 0.000 0.301 182 F C 2.400 177.651 175.800 -0.915 0.000 1.070 182 F CA 0.351 57.381 58.000 -1.617 0.000 1.407 182 F CB -1.076 36.958 39.000 -1.610 0.000 1.072 182 F HN -0.077 nan 8.300 nan 0.000 0.543 183 V N -1.846 117.967 119.914 -0.168 0.000 3.041 183 V HA -0.069 4.049 4.120 -0.002 0.000 0.260 183 V C 1.971 178.087 176.094 0.037 0.000 1.105 183 V CA 1.039 63.411 62.300 0.120 0.000 1.125 183 V CB -0.637 31.271 31.823 0.142 0.000 0.730 183 V HN 0.212 nan 8.190 nan 0.000 0.479 184 R N -0.343 120.095 120.500 -0.104 0.000 2.299 184 R HA 0.298 4.637 4.340 -0.002 0.000 0.197 184 R C 0.333 176.763 176.300 0.216 0.000 0.971 184 R CA 0.068 56.195 56.100 0.045 0.000 1.030 184 R CB -0.139 30.193 30.300 0.054 0.000 0.932 184 R HN 0.505 nan 8.270 nan 0.000 0.477 185 F N 1.356 121.294 119.950 -0.019 0.000 2.389 185 F HA 0.259 4.785 4.527 -0.002 0.000 0.337 185 F C 1.066 176.930 175.800 0.106 0.000 1.112 185 F CA -1.211 56.752 58.000 -0.061 0.000 1.192 185 F CB 0.644 39.463 39.000 -0.303 0.000 1.185 185 F HN -0.258 nan 8.300 nan 0.000 0.552 186 R N 3.149 123.815 120.500 0.277 0.000 2.537 186 R HA 0.032 4.370 4.340 -0.002 0.000 0.281 186 R C -2.230 174.296 176.300 0.377 0.000 0.988 186 R CA -1.213 55.026 56.100 0.233 0.000 1.077 186 R CB -0.160 30.221 30.300 0.136 0.000 0.932 186 R HN 0.248 nan 8.270 nan 0.000 0.409 187 P HA -0.035 nan 4.420 nan 0.000 0.266 187 P C -2.455 174.918 177.300 0.122 0.000 1.193 187 P CA -0.800 62.424 63.100 0.206 0.000 0.770 187 P CB 0.144 31.912 31.700 0.112 0.000 0.836 188 P HA 0.190 nan 4.420 nan 0.000 0.276 188 P C -0.870 176.431 177.300 0.001 0.000 1.244 188 P CA -0.262 62.785 63.100 -0.089 0.000 0.801 188 P CB 0.846 32.390 31.700 -0.260 0.000 1.006 189 V N 2.316 122.252 119.914 0.036 0.000 2.567 189 V HA 0.345 4.464 4.120 -0.002 0.000 0.298 189 V C 0.264 176.380 176.094 0.036 0.000 1.047 189 V CA -0.543 61.775 62.300 0.030 0.000 0.880 189 V CB 1.682 33.526 31.823 0.035 0.000 1.009 189 V HN 0.526 nan 8.190 nan 0.000 0.429 252 L N 1.632 122.818 121.223 -0.061 0.000 3.601 252 L HA -0.287 4.052 4.340 -0.002 0.000 0.469 252 L C 1.381 178.224 176.870 -0.045 0.000 1.294 252 L CA 1.001 55.779 54.840 -0.102 0.000 0.829 252 L CB -1.596 40.310 42.059 -0.255 0.000 1.628 252 L HN 0.803 nan 8.230 nan 0.000 0.868 253 S N -1.424 114.272 115.700 -0.008 0.000 2.447 253 S HA -0.053 4.416 4.470 -0.002 0.000 0.233 253 S C 1.543 176.163 174.600 0.033 0.000 1.006 253 S CA 0.898 59.108 58.200 0.017 0.000 0.957 253 S CB 0.044 63.258 63.200 0.024 0.000 0.773 253 S HN 0.539 nan 8.310 nan 0.000 0.507 254 M N 0.627 120.246 119.600 0.032 0.000 2.556 254 M HA 0.336 4.815 4.480 -0.002 0.000 0.245 254 M C 1.691 178.020 176.300 0.047 0.000 1.128 254 M CA 0.167 55.506 55.300 0.064 0.000 1.069 254 M CB -0.913 31.732 32.600 0.075 0.000 1.469 254 M HN 0.388 nan 8.290 nan 0.000 0.494 255 L N 1.701 122.923 121.223 -0.001 0.000 2.042 255 L HA -0.085 4.254 4.340 -0.002 0.000 0.210 255 L C -0.883 175.982 176.870 -0.009 0.000 1.076 255 L CA 2.340 57.163 54.840 -0.027 0.000 0.749 255 L CB -1.708 40.306 42.059 -0.075 0.000 0.893 255 L HN 0.087 nan 8.230 nan 0.000 0.432 256 P HA -0.169 nan 4.420 nan 0.000 0.216 256 P C 1.202 178.512 177.300 0.016 0.000 1.153 256 P CA 1.619 64.732 63.100 0.022 0.000 0.848 256 P CB -0.066 31.666 31.700 0.053 0.000 0.787 257 H N -0.574 118.485 119.070 -0.019 0.000 2.333 257 H HA 0.015 4.570 4.556 -0.002 0.000 0.302 257 H C 1.765 177.000 175.328 -0.156 0.000 1.075 257 H CA 1.338 57.375 56.048 -0.017 0.000 1.348 257 H CB -0.875 28.943 29.762 0.093 0.000 1.393 257 H HN -0.062 nan 8.280 nan 0.000 0.509 258 L N -0.369 120.773 121.223 -0.136 0.000 2.201 258 L HA -0.056 4.283 4.340 -0.002 0.000 0.212 258 L C 2.711 179.408 176.870 -0.289 0.000 1.105 258 L CA 0.759 55.431 54.840 -0.279 0.000 0.775 258 L CB -0.569 41.390 42.059 -0.167 0.000 0.913 258 L HN 0.401 nan 8.230 nan 0.000 0.440 259 A N 0.059 122.758 122.820 -0.201 0.000 1.898 259 A HA -0.204 4.115 4.320 -0.002 0.000 0.216 259 A C 1.918 179.317 177.584 -0.308 0.000 1.181 259 A CA 1.789 53.730 52.037 -0.160 0.000 0.620 259 A CB -0.409 18.544 19.000 -0.080 0.000 0.819 259 A HN 0.302 nan 8.150 nan 0.000 0.442 260 D N -0.464 119.663 120.400 -0.455 0.000 2.144 260 D HA -0.111 4.527 4.640 -0.002 0.000 0.200 260 D C 1.837 177.384 176.300 -1.254 0.000 0.978 260 D CA 1.160 54.712 54.000 -0.748 0.000 0.833 260 D CB -0.330 40.023 40.800 -0.745 0.000 0.961 260 D HN 0.357 nan 8.370 nan 0.000 0.470 261 L N 0.463 120.955 121.223 -1.218 0.000 2.017 261 L HA -0.121 4.217 4.340 -0.002 0.000 0.208 261 L C 2.147 178.701 176.870 -0.527 0.000 1.073 261 L CA 1.366 55.566 54.840 -1.066 0.000 0.745 261 L CB -0.473 41.103 42.059 -0.805 0.000 0.894 261 L HN -0.134 nan 8.230 nan 0.000 0.432 262 V N -1.099 118.583 119.914 -0.386 0.000 2.358 262 V HA -0.237 3.882 4.120 -0.002 0.000 0.246 262 V C 2.748 178.732 176.094 -0.183 0.000 1.047 262 V CA 1.746 63.925 62.300 -0.202 0.000 1.035 262 V CB -0.556 31.214 31.823 -0.088 0.000 0.658 262 V HN 0.617 nan 8.190 nan 0.000 0.452 263 S N -1.145 114.414 115.700 -0.235 0.000 2.368 263 S HA -0.255 4.214 4.470 -0.002 0.000 0.225 263 S C 2.003 176.513 174.600 -0.150 0.000 1.030 263 S CA 1.990 60.070 58.200 -0.199 0.000 0.999 263 S CB -0.423 62.654 63.200 -0.204 0.000 0.844 263 S HN 0.698 nan 8.310 nan 0.000 0.459 264 Y N 1.891 121.982 120.300 -0.347 0.000 2.145 264 Y HA -0.104 4.444 4.550 -0.002 0.000 0.286 264 Y C 2.522 178.357 175.900 -0.109 0.000 1.145 264 Y CA 2.058 60.038 58.100 -0.199 0.000 1.148 264 Y CB -0.772 37.574 38.460 -0.191 0.000 0.981 264 Y HN 0.262 nan 8.280 nan 0.000 0.507 265 S N 0.806 116.529 115.700 0.038 0.000 2.382 265 S HA -0.197 4.272 4.470 -0.002 0.000 0.228 265 S C 1.991 176.529 174.600 -0.103 0.000 1.027 265 S CA 1.683 59.871 58.200 -0.020 0.000 0.991 265 S CB -0.534 62.686 63.200 0.033 0.000 0.823 265 S HN 0.516 nan 8.310 nan 0.000 0.469 266 I N 1.615 122.108 120.570 -0.130 0.000 2.163 266 I HA -0.274 3.894 4.170 -0.002 0.000 0.243 266 I C 2.675 178.710 176.117 -0.136 0.000 1.085 266 I CA 1.298 62.510 61.300 -0.148 0.000 1.347 266 I CB -0.484 37.386 38.000 -0.217 0.000 1.044 266 I HN 0.346 nan 8.210 nan 0.000 0.408 267 Q N 0.529 120.232 119.800 -0.161 0.000 2.152 267 Q HA -0.232 4.106 4.340 -0.002 0.000 0.206 267 Q C 2.195 178.106 176.000 -0.147 0.000 0.985 267 Q CA 1.340 57.051 55.803 -0.153 0.000 0.863 267 Q CB -0.069 28.561 28.738 -0.180 0.000 0.904 267 Q HN 0.359 nan 8.270 nan 0.000 0.422 268 K N 0.033 120.313 120.400 -0.200 0.000 2.103 268 K HA -0.050 4.269 4.320 -0.002 0.000 0.204 268 K C 2.085 178.682 176.600 -0.004 0.000 1.052 268 K CA 0.699 56.907 56.287 -0.132 0.000 0.945 268 K CB -0.453 31.941 32.500 -0.178 0.000 0.722 268 K HN 0.084 nan 8.250 nan 0.000 0.443 269 V N 1.823 121.729 119.914 -0.013 0.000 2.407 269 V HA -0.192 3.927 4.120 -0.002 0.000 0.248 269 V C 2.300 178.422 176.094 0.046 0.000 1.055 269 V CA 1.290 63.614 62.300 0.039 0.000 1.049 269 V CB -0.354 31.463 31.823 -0.009 0.000 0.662 269 V HN 0.188 nan 8.190 nan 0.000 0.455 270 I N 0.441 121.003 120.570 -0.013 0.000 2.202 270 I HA -0.155 4.014 4.170 -0.002 0.000 0.242 270 I C 2.586 178.697 176.117 -0.010 0.000 1.091 270 I CA 1.688 62.974 61.300 -0.024 0.000 1.368 270 I CB -0.890 37.093 38.000 -0.027 0.000 1.058 270 I HN 0.407 nan 8.210 nan 0.000 0.410 271 G N 0.642 109.449 108.800 0.012 0.000 2.418 271 G HA2 -0.321 3.637 3.960 -0.002 0.000 0.217 271 G HA3 -0.321 3.637 3.960 -0.002 0.000 0.217 271 G C 1.611 176.543 174.900 0.053 0.000 1.158 271 G CA 0.575 45.691 45.100 0.026 0.000 0.771 271 G HN 0.362 nan 8.290 nan 0.000 0.545 272 F N 2.450 122.367 119.950 -0.055 0.000 2.146 272 F HA 0.129 4.655 4.527 -0.002 0.000 0.298 272 F C 2.722 178.439 175.800 -0.137 0.000 1.096 272 F CA 1.200 59.170 58.000 -0.050 0.000 1.275 272 F CB -0.280 38.716 39.000 -0.007 0.000 1.008 272 F HN 0.225 nan 8.300 nan 0.000 0.480 273 A N 0.695 123.368 122.820 -0.246 0.000 1.883 273 A HA -0.235 4.084 4.320 -0.002 0.000 0.217 273 A C 2.189 179.406 177.584 -0.612 0.000 1.186 273 A CA 1.965 53.607 52.037 -0.657 0.000 0.624 273 A CB -0.781 17.782 19.000 -0.727 0.000 0.822 273 A HN 0.482 nan 8.150 nan 0.000 0.444 274 K N -0.968 119.304 120.400 -0.213 0.000 2.360 274 K HA 0.010 4.329 4.320 -0.002 0.000 0.201 274 K C 1.399 177.983 176.600 -0.027 0.000 1.046 274 K CA 1.259 57.569 56.287 0.038 0.000 0.945 274 K CB -0.186 32.348 32.500 0.058 0.000 0.750 274 K HN 0.520 nan 8.250 nan 0.000 0.464 275 M N 0.411 119.903 119.600 -0.180 0.000 2.371 275 M HA 0.163 4.641 4.480 -0.002 0.000 0.246 275 M C -0.007 176.140 176.300 -0.254 0.000 1.103 275 M CA -0.003 55.192 55.300 -0.176 0.000 1.010 275 M CB 0.565 33.072 32.600 -0.155 0.000 1.457 275 M HN -0.016 nan 8.290 nan 0.000 0.486 276 I N 4.187 124.548 120.570 -0.349 0.000 2.517 276 I HA 0.091 4.260 4.170 -0.002 0.000 0.285 276 I C -1.718 174.348 176.117 -0.084 0.000 1.106 276 I CA -1.710 59.407 61.300 -0.306 0.000 1.402 276 I CB 0.516 38.298 38.000 -0.362 0.000 1.399 276 I HN -0.114 nan 8.210 nan 0.000 0.535 277 P HA 0.005 nan 4.420 nan 0.000 0.261 277 P C 0.711 178.025 177.300 0.024 0.000 1.203 277 P CA 0.672 63.766 63.100 -0.011 0.000 0.767 277 P CB 0.716 32.406 31.700 -0.017 0.000 0.785 278 G N 3.597 112.420 108.800 0.038 0.000 2.232 278 G HA2 -0.353 3.606 3.960 -0.002 0.000 0.226 278 G HA3 -0.353 3.606 3.960 -0.002 0.000 0.226 278 G C 0.529 175.464 174.900 0.057 0.000 0.996 278 G CA 0.144 45.266 45.100 0.037 0.000 0.626 278 G HN 0.471 nan 8.290 nan 0.000 0.509 279 F N 1.682 121.600 119.950 -0.053 0.000 2.113 279 F HA 0.200 4.726 4.527 -0.002 0.000 0.297 279 F C 2.493 178.268 175.800 -0.043 0.000 1.103 279 F CA 2.155 60.125 58.000 -0.050 0.000 1.248 279 F CB -0.135 38.822 39.000 -0.072 0.000 0.999 279 F HN 0.135 nan 8.300 nan 0.000 0.475 280 R N 0.238 120.751 120.500 0.022 0.000 2.285 280 R HA -0.125 4.214 4.340 -0.002 0.000 0.213 280 R C 1.337 177.555 176.300 -0.137 0.000 1.068 280 R CA 1.291 57.342 56.100 -0.082 0.000 1.004 280 R CB -0.364 29.962 30.300 0.043 0.000 0.873 280 R HN 0.320 nan 8.270 nan 0.000 0.467 281 D N 0.030 120.360 120.400 -0.117 0.000 2.323 281 D HA -0.012 4.627 4.640 -0.002 0.000 0.209 281 D C 0.478 176.696 176.300 -0.135 0.000 0.973 281 D CA 0.384 54.325 54.000 -0.098 0.000 0.874 281 D CB 0.211 40.975 40.800 -0.059 0.000 0.930 281 D HN 0.213 nan 8.370 nan 0.000 0.521 282 L N 1.237 122.331 121.223 -0.216 0.000 2.476 282 L HA 0.063 4.402 4.340 -0.002 0.000 0.264 282 L C 1.284 178.030 176.870 -0.207 0.000 1.224 282 L CA -0.240 54.467 54.840 -0.222 0.000 0.821 282 L CB 0.217 42.081 42.059 -0.325 0.000 1.101 282 L HN -0.009 nan 8.230 nan 0.000 0.488 283 T N -1.336 113.127 114.554 -0.151 0.000 2.900 283 T HA 0.194 4.543 4.350 -0.002 0.000 0.307 283 T C 1.151 175.767 174.700 -0.140 0.000 1.065 283 T CA -0.215 61.814 62.100 -0.118 0.000 1.105 283 T CB 1.271 70.091 68.868 -0.080 0.000 0.979 283 T HN 0.675 nan 8.240 nan 0.000 0.544 284 A N 1.605 124.361 122.820 -0.107 0.000 1.986 284 A HA -0.110 4.209 4.320 -0.002 0.000 0.220 284 A C 2.180 179.719 177.584 -0.075 0.000 1.171 284 A CA 1.790 53.770 52.037 -0.094 0.000 0.640 284 A CB -0.922 18.043 19.000 -0.058 0.000 0.811 284 A HN 0.910 nan 8.150 nan 0.000 0.451 285 E N 0.432 120.596 120.200 -0.060 0.000 2.077 285 E HA -0.136 4.213 4.350 -0.002 0.000 0.193 285 E C 1.551 178.128 176.600 -0.039 0.000 0.989 285 E CA 1.397 57.774 56.400 -0.039 0.000 0.800 285 E CB -0.273 29.409 29.700 -0.029 0.000 0.746 285 E HN 0.554 nan 8.360 nan 0.000 0.452 286 D N 0.079 120.440 120.400 -0.064 0.000 2.183 286 D HA -0.084 4.555 4.640 -0.002 0.000 0.203 286 D C 1.820 178.078 176.300 -0.070 0.000 0.969 286 D CA 0.617 54.583 54.000 -0.057 0.000 0.842 286 D CB -0.025 40.731 40.800 -0.073 0.000 0.957 286 D HN 0.275 nan 8.370 nan 0.000 0.484 287 Q N 0.144 119.847 119.800 -0.161 0.000 2.050 287 Q HA -0.075 4.264 4.340 -0.002 0.000 0.202 287 Q C 2.450 178.499 176.000 0.082 0.000 0.980 287 Q CA 0.811 56.509 55.803 -0.175 0.000 0.840 287 Q CB 0.068 28.609 28.738 -0.327 0.000 0.898 287 Q HN 0.332 nan 8.270 nan 0.000 0.424 288 I N 0.640 121.225 120.570 0.025 0.000 2.226 288 I HA -0.278 3.891 4.170 -0.002 0.000 0.245 288 I C 2.438 178.579 176.117 0.041 0.000 1.100 288 I CA 0.933 62.255 61.300 0.037 0.000 1.374 288 I CB -0.430 37.575 38.000 0.007 0.000 1.057 288 I HN 0.171 nan 8.210 nan 0.000 0.413 289 A N 0.968 123.808 122.820 0.033 0.000 1.902 289 A HA -0.162 4.157 4.320 -0.002 0.000 0.217 289 A C 2.303 179.922 177.584 0.059 0.000 1.181 289 A CA 1.433 53.493 52.037 0.038 0.000 0.623 289 A CB -0.786 18.232 19.000 0.030 0.000 0.818 289 A HN 0.374 nan 8.150 nan 0.000 0.443 290 L N -0.810 120.468 121.223 0.092 0.000 2.027 290 L HA -0.143 4.195 4.340 -0.002 0.000 0.206 290 L C 2.510 179.444 176.870 0.107 0.000 1.074 290 L CA 0.566 55.481 54.840 0.126 0.000 0.745 290 L CB -0.492 41.705 42.059 0.229 0.000 0.898 290 L HN 0.281 nan 8.230 nan 0.000 0.433 291 L N 0.259 121.556 121.223 0.123 0.000 1.989 291 L HA -0.229 4.110 4.340 -0.002 0.000 0.211 291 L C 2.574 179.450 176.870 0.010 0.000 1.071 291 L CA 1.873 56.748 54.840 0.058 0.000 0.749 291 L CB -1.119 40.975 42.059 0.059 0.000 0.890 291 L HN 0.274 nan 8.230 nan 0.000 0.431 292 K N -0.263 120.142 120.400 0.008 0.000 2.074 292 K HA -0.166 4.153 4.320 -0.002 0.000 0.209 292 K C 2.029 178.654 176.600 0.043 0.000 1.048 292 K CA 1.870 58.154 56.287 -0.004 0.000 0.926 292 K CB -0.143 32.359 32.500 0.005 0.000 0.713 292 K HN 0.450 nan 8.250 nan 0.000 0.444 293 S N -0.095 115.632 115.700 0.045 0.000 2.478 293 S HA -0.036 4.433 4.470 -0.002 0.000 0.222 293 S C 1.911 176.532 174.600 0.035 0.000 1.008 293 S CA 0.889 59.117 58.200 0.047 0.000 0.928 293 S CB 0.173 63.395 63.200 0.036 0.000 0.781 293 S HN 0.272 nan 8.310 nan 0.000 0.518 294 S N 1.138 116.856 115.700 0.029 0.000 2.506 294 S HA 0.496 4.965 4.470 -0.002 0.000 0.219 294 S C 2.029 176.630 174.600 0.002 0.000 1.031 294 S CA 0.310 58.515 58.200 0.009 0.000 0.911 294 S CB -0.442 62.765 63.200 0.011 0.000 0.812 294 S HN 0.607 nan 8.310 nan 0.000 0.497 295 A N 3.301 126.127 122.820 0.011 0.000 1.909 295 A HA -0.156 4.162 4.320 -0.002 0.000 0.221 295 A C 2.157 179.751 177.584 0.017 0.000 1.223 295 A CA 1.977 54.009 52.037 -0.007 0.000 0.658 295 A CB -1.146 17.811 19.000 -0.071 0.000 0.831 295 A HN 0.520 nan 8.150 nan 0.000 0.462 296 I N 0.140 120.760 120.570 0.082 0.000 2.264 296 I HA -0.219 3.950 4.170 -0.002 0.000 0.248 296 I C 2.220 178.253 176.117 -0.140 0.000 1.111 296 I CA 2.149 63.411 61.300 -0.063 0.000 1.382 296 I CB -1.081 36.764 38.000 -0.259 0.000 1.060 296 I HN 0.525 nan 8.210 nan 0.000 0.418 297 E N 0.094 120.229 120.200 -0.107 0.000 2.107 297 E HA -0.161 4.188 4.350 -0.002 0.000 0.191 297 E C 2.144 178.694 176.600 -0.084 0.000 0.982 297 E CA 0.821 57.145 56.400 -0.128 0.000 0.809 297 E CB 0.079 29.713 29.700 -0.111 0.000 0.756 297 E HN 0.340 nan 8.360 nan 0.000 0.459 298 I N 1.169 121.705 120.570 -0.057 0.000 2.361 298 I HA -0.225 3.943 4.170 -0.002 0.000 0.251 298 I C 2.298 178.400 176.117 -0.026 0.000 1.133 298 I CA 1.262 62.532 61.300 -0.051 0.000 1.413 298 I CB -0.797 37.178 38.000 -0.041 0.000 1.073 298 I HN 0.172 nan 8.210 nan 0.000 0.424 299 I N 0.222 120.778 120.570 -0.023 0.000 2.252 299 I HA -0.283 3.886 4.170 -0.002 0.000 0.245 299 I C 2.614 178.752 176.117 0.035 0.000 1.102 299 I CA 1.263 62.565 61.300 0.003 0.000 1.385 299 I CB -0.110 37.865 38.000 -0.042 0.000 1.064 299 I HN 0.138 nan 8.210 nan 0.000 0.414 300 M N -0.137 119.457 119.600 -0.010 0.000 2.229 300 M HA -0.195 4.284 4.480 -0.002 0.000 0.264 300 M C 2.289 178.722 176.300 0.222 0.000 1.063 300 M CA 1.671 57.007 55.300 0.061 0.000 1.114 300 M CB -0.285 32.261 32.600 -0.089 0.000 1.387 300 M HN 0.250 nan 8.290 nan 0.000 0.420 301 L N 0.234 121.546 121.223 0.149 0.000 2.005 301 L HA -0.186 4.153 4.340 -0.002 0.000 0.207 301 L C 2.725 179.723 176.870 0.213 0.000 1.072 301 L CA 1.468 56.412 54.840 0.172 0.000 0.744 301 L CB -0.466 41.590 42.059 -0.004 0.000 0.895 301 L HN 0.344 nan 8.230 nan 0.000 0.433 302 R N -0.322 120.287 120.500 0.182 0.000 2.189 302 R HA -0.087 4.252 4.340 -0.002 0.000 0.223 302 R C 2.182 178.779 176.300 0.496 0.000 1.092 302 R CA 1.262 57.564 56.100 0.337 0.000 0.989 302 R CB -0.825 29.682 30.300 0.344 0.000 0.876 302 R HN 0.333 nan 8.270 nan 0.000 0.457 303 S N 0.868 116.836 115.700 0.446 0.000 2.447 303 S HA -0.172 4.296 4.470 -0.002 0.000 0.233 303 S C 1.777 176.773 174.600 0.661 0.000 1.006 303 S CA 0.944 59.476 58.200 0.553 0.000 0.957 303 S CB -0.581 62.864 63.200 0.408 0.000 0.773 303 S HN 0.505 nan 8.310 nan 0.000 0.507 304 N N 1.318 120.314 118.700 0.493 0.000 2.272 304 N HA -0.200 4.539 4.740 -0.002 0.000 0.185 304 N C 1.856 177.544 175.510 0.297 0.000 1.014 304 N CA 1.201 54.465 53.050 0.357 0.000 0.870 304 N CB -0.245 38.380 38.487 0.231 0.000 0.975 304 N HN 0.631 nan 8.380 nan 0.000 0.433 305 Q N 0.132 120.090 119.800 0.263 0.000 2.291 305 Q HA -0.053 4.286 4.340 -0.002 0.000 0.205 305 Q C 1.709 177.905 176.000 0.327 0.000 0.970 305 Q CA 1.502 57.390 55.803 0.142 0.000 0.876 305 Q CB 0.110 28.792 28.738 -0.093 0.000 0.935 305 Q HN 0.447 nan 8.270 nan 0.000 0.455 306 S N -1.500 114.492 115.700 0.487 0.000 2.523 306 S HA 0.123 4.591 4.470 -0.002 0.000 0.217 306 S C 0.203 174.997 174.600 0.325 0.000 0.996 306 S CA -0.719 57.750 58.200 0.447 0.000 0.921 306 S CB 0.039 63.500 63.200 0.435 0.000 0.829 306 S HN 0.264 nan 8.310 nan 0.000 0.495 307 F N 3.176 123.201 119.950 0.125 0.000 2.459 307 F HA 0.580 5.105 4.527 -0.002 0.000 0.346 307 F C 0.289 176.021 175.800 -0.112 0.000 1.128 307 F CA -0.155 57.734 58.000 -0.184 0.000 1.268 307 F CB 1.302 40.092 39.000 -0.350 0.000 1.161 307 F HN 0.127 nan 8.300 nan 0.000 0.583 308 S N 6.113 121.236 115.700 -0.961 0.000 2.647 308 S HA 0.388 4.857 4.470 -0.002 0.000 0.300 308 S C 0.633 174.819 174.600 -0.689 0.000 1.129 308 S CA -0.835 57.028 58.200 -0.563 0.000 1.029 308 S CB 0.779 63.764 63.200 -0.358 0.000 1.007 308 S HN 0.799 nan 8.310 nan 0.000 0.484 309 L N 3.887 124.946 121.223 -0.274 0.000 2.141 309 L HA -0.060 4.279 4.340 -0.002 0.000 0.209 309 L C 2.376 179.158 176.870 -0.146 0.000 1.094 309 L CA 1.212 55.977 54.840 -0.125 0.000 0.763 309 L CB -0.320 41.737 42.059 -0.003 0.000 0.908 309 L HN 0.734 nan 8.230 nan 0.000 0.437 310 E N 0.749 120.858 120.200 -0.151 0.000 2.012 310 E HA -0.258 4.091 4.350 -0.002 0.000 0.197 310 E C 1.197 177.718 176.600 -0.132 0.000 1.007 310 E CA 1.845 58.177 56.400 -0.114 0.000 0.816 310 E CB -0.137 29.504 29.700 -0.098 0.000 0.762 310 E HN 0.672 nan 8.360 nan 0.000 0.451 311 D N -0.887 119.400 120.400 -0.189 0.000 2.340 311 D HA 0.021 4.660 4.640 -0.002 0.000 0.217 311 D C 0.074 176.240 176.300 -0.223 0.000 1.081 311 D CA -0.046 53.852 54.000 -0.169 0.000 0.842 311 D CB 0.239 40.954 40.800 -0.142 0.000 0.934 311 D HN -0.059 nan 8.370 nan 0.000 0.511 312 M N 0.448 119.839 119.600 -0.350 0.000 2.302 312 M HA -0.196 4.283 4.480 -0.002 0.000 0.200 312 M C -0.454 175.583 176.300 -0.439 0.000 0.366 312 M CA 0.775 55.857 55.300 -0.364 0.000 0.440 312 M CB -2.817 29.750 32.600 -0.056 0.000 1.475 312 M HN 0.499 nan 8.290 nan 0.000 0.905 313 S N -2.075 113.164 115.700 -0.768 0.000 2.671 313 S HA 0.777 5.246 4.470 -0.002 0.000 0.277 313 S C -1.063 173.261 174.600 -0.461 0.000 1.165 313 S CA -0.957 57.015 58.200 -0.380 0.000 0.822 313 S CB 2.201 65.361 63.200 -0.067 0.000 1.150 313 S HN 0.446 nan 8.310 nan 0.000 0.479 314 W N 1.960 123.331 121.300 0.119 0.000 2.308 314 W HA 0.476 5.135 4.660 -0.002 0.000 0.311 314 W C -0.552 175.982 176.519 0.026 0.000 1.088 314 W CA -0.651 56.810 57.345 0.194 0.000 1.309 314 W CB 1.459 31.170 29.460 0.418 0.000 1.229 314 W HN 0.613 nan 8.180 nan 0.000 0.427 315 S N 2.621 118.385 115.700 0.107 0.000 2.423 315 S HA 0.236 4.704 4.470 -0.002 0.000 0.317 315 S C 0.382 174.940 174.600 -0.070 0.000 1.065 315 S CA -0.555 57.636 58.200 -0.014 0.000 1.111 315 S CB 0.921 64.103 63.200 -0.030 0.000 0.968 315 S HN 0.514 nan 8.310 nan 0.000 0.474 316 C N 2.417 121.603 119.300 -0.191 0.000 3.392 316 C HA 0.612 5.070 4.460 -0.002 0.000 0.301 316 C C 1.463 176.424 174.990 -0.050 0.000 1.354 316 C CA -0.266 58.480 59.018 -0.453 0.000 1.732 316 C CB -0.762 26.489 27.740 -0.815 0.000 2.269 316 C HN 0.942 nan 8.230 nan 0.000 0.673 317 G N -0.237 108.605 108.800 0.070 0.000 2.570 317 G HA2 0.518 4.477 3.960 -0.002 0.000 0.310 317 G HA3 0.518 4.477 3.960 -0.002 0.000 0.310 317 G C 0.098 174.978 174.900 -0.034 0.000 1.266 317 G CA 0.265 45.446 45.100 0.135 0.000 0.825 317 G HN 0.259 nan 8.290 nan 0.000 0.483 318 G N -0.132 108.592 108.800 -0.126 0.000 2.326 318 G HA2 0.334 4.293 3.960 -0.002 0.000 0.232 318 G HA3 0.334 4.293 3.960 -0.002 0.000 0.232 318 G C -0.845 173.958 174.900 -0.162 0.000 1.559 318 G CA 0.919 45.933 45.100 -0.143 0.000 1.031 318 G HN 0.466 nan 8.290 nan 0.000 0.498 319 P HA 0.078 nan 4.420 nan 0.000 0.222 319 P C 0.784 177.977 177.300 -0.178 0.000 1.153 319 P CA 1.160 64.177 63.100 -0.139 0.000 0.798 319 P CB 0.130 31.764 31.700 -0.110 0.000 0.796 320 D N -0.759 119.466 120.400 -0.292 0.000 2.084 320 D HA -0.112 4.527 4.640 -0.002 0.000 0.194 320 D C 0.670 176.820 176.300 -0.250 0.000 0.990 320 D CA 1.171 54.949 54.000 -0.369 0.000 0.826 320 D CB -0.700 39.682 40.800 -0.696 0.000 0.971 320 D HN 0.144 nan 8.370 nan 0.000 0.453 321 F N 0.699 120.535 119.950 -0.189 0.000 2.701 321 F HA 0.261 4.787 4.527 -0.002 0.000 0.295 321 F C 0.665 175.972 175.800 -0.821 0.000 1.165 321 F CA -0.440 57.333 58.000 -0.378 0.000 1.399 321 F CB -0.777 38.194 39.000 -0.049 0.000 0.996 321 F HN -0.231 nan 8.300 nan 0.000 0.513 322 K N 1.008 121.126 120.400 -0.470 0.000 2.293 322 K HA 0.326 4.645 4.320 -0.002 0.000 0.267 322 K C -1.497 174.934 176.600 -0.283 0.000 1.010 322 K CA -0.363 55.720 56.287 -0.341 0.000 0.875 322 K CB 0.542 32.960 32.500 -0.138 0.000 1.106 322 K HN 0.108 nan 8.250 nan 0.000 0.450 323 Y N 3.048 123.521 120.300 0.289 0.000 2.335 323 Y HA 0.314 4.863 4.550 -0.002 0.000 0.339 323 Y C 0.172 176.320 175.900 0.413 0.000 0.987 323 Y CA -1.051 57.246 58.100 0.328 0.000 1.140 323 Y CB 1.066 39.717 38.460 0.318 0.000 1.173 323 Y HN 0.443 nan 8.280 nan 0.000 0.486 324 C N 3.421 122.976 119.300 0.424 0.000 2.407 324 C HA 0.357 4.816 4.460 -0.002 0.000 0.366 324 C C 2.126 177.336 174.990 0.368 0.000 1.213 324 C CA -0.713 58.507 59.018 0.337 0.000 2.011 324 C CB 0.934 28.788 27.740 0.190 0.000 2.306 324 C HN 0.977 nan 8.230 nan 0.000 0.527 325 I N 1.461 122.223 120.570 0.321 0.000 2.194 325 I HA -0.242 3.927 4.170 -0.002 0.000 0.246 325 I C 2.377 178.617 176.117 0.205 0.000 1.093 325 I CA 2.184 63.655 61.300 0.284 0.000 1.355 325 I CB -0.535 37.592 38.000 0.211 0.000 1.046 325 I HN 0.840 nan 8.210 nan 0.000 0.413 326 N N 1.267 120.066 118.700 0.166 0.000 2.061 326 N HA -0.255 4.483 4.740 -0.002 0.000 0.193 326 N C 1.490 177.078 175.510 0.129 0.000 1.030 326 N CA 2.087 55.212 53.050 0.126 0.000 0.856 326 N CB -0.156 38.392 38.487 0.102 0.000 1.023 326 N HN 0.264 nan 8.380 nan 0.000 0.424 327 D N -0.436 120.062 120.400 0.163 0.000 2.123 327 D HA -0.123 4.516 4.640 -0.002 0.000 0.196 327 D C 1.936 178.315 176.300 0.132 0.000 0.992 327 D CA 1.194 55.291 54.000 0.163 0.000 0.833 327 D CB -0.259 40.688 40.800 0.246 0.000 0.954 327 D HN 0.215 nan 8.370 nan 0.000 0.455 328 V N 1.081 121.080 119.914 0.142 0.000 2.626 328 V HA -0.166 3.953 4.120 -0.002 0.000 0.252 328 V C 2.513 178.675 176.094 0.112 0.000 1.067 328 V CA 1.441 63.805 62.300 0.107 0.000 1.081 328 V CB -0.727 31.157 31.823 0.101 0.000 0.686 328 V HN 0.174 nan 8.190 nan 0.000 0.468 329 T N -0.169 114.448 114.554 0.105 0.000 2.833 329 T HA -0.171 4.178 4.350 -0.002 0.000 0.269 329 T C 1.589 176.307 174.700 0.030 0.000 1.054 329 T CA 1.228 63.373 62.100 0.075 0.000 1.135 329 T CB -0.221 68.691 68.868 0.072 0.000 0.869 329 T HN 0.500 nan 8.240 nan 0.000 0.466 330 K N 0.825 121.246 120.400 0.034 0.000 2.522 330 K HA 0.301 4.620 4.320 -0.002 0.000 0.194 330 K C 1.382 177.965 176.600 -0.030 0.000 1.026 330 K CA 0.040 56.330 56.287 0.004 0.000 1.119 330 K CB 0.265 32.781 32.500 0.028 0.000 0.856 330 K HN 0.195 nan 8.250 nan 0.000 0.513 331 A N 0.121 122.920 122.820 -0.035 0.000 2.431 331 A HA 0.354 4.673 4.320 -0.002 0.000 0.239 331 A C 1.133 178.588 177.584 -0.215 0.000 1.230 331 A CA 0.336 52.327 52.037 -0.076 0.000 0.928 331 A CB 0.306 19.311 19.000 0.008 0.000 1.006 331 A HN 0.309 nan 8.150 nan 0.000 0.520 332 G N -0.632 108.032 108.800 -0.227 0.000 2.134 332 G HA2 -0.148 3.811 3.960 -0.002 0.000 0.209 332 G HA3 -0.148 3.811 3.960 -0.002 0.000 0.209 332 G C -0.168 174.484 174.900 -0.415 0.000 0.993 332 G CA 0.067 44.961 45.100 -0.343 0.000 0.669 332 G HN 0.593 nan 8.290 nan 0.000 0.519 333 H N 0.442 119.483 119.070 -0.049 0.000 2.573 333 H HA 0.715 5.270 4.556 -0.001 0.000 0.351 333 H C 0.717 176.042 175.328 -0.006 0.000 1.163 333 H CA 0.555 56.585 56.048 -0.029 0.000 1.205 333 H CB 1.838 31.593 29.762 -0.011 0.000 1.605 333 H HN 0.434 nan 8.280 nan 0.000 0.525 334 T N -0.966 113.674 114.554 0.144 0.000 2.937 334 T HA 0.203 4.552 4.350 -0.002 0.000 0.283 334 T C 1.452 176.204 174.700 0.085 0.000 1.012 334 T CA -0.925 61.227 62.100 0.086 0.000 0.997 334 T CB 0.895 69.796 68.868 0.055 0.000 1.136 334 T HN 0.194 nan 8.240 nan 0.000 0.551 335 L N 0.185 121.449 121.223 0.068 0.000 2.191 335 L HA -0.009 4.330 4.340 -0.002 0.000 0.212 335 L C 2.645 179.548 176.870 0.055 0.000 1.103 335 L CA 1.674 56.554 54.840 0.066 0.000 0.769 335 L CB -1.742 40.352 42.059 0.057 0.000 0.908 335 L HN 0.872 nan 8.230 nan 0.000 0.438 336 E N 0.363 120.592 120.200 0.047 0.000 2.233 336 E HA -0.251 4.098 4.350 -0.002 0.000 0.199 336 E C 1.976 178.594 176.600 0.030 0.000 1.004 336 E CA 1.387 57.807 56.400 0.035 0.000 0.819 336 E CB -0.036 29.682 29.700 0.031 0.000 0.738 336 E HN 0.373 nan 8.360 nan 0.000 0.478 337 L N -1.153 120.091 121.223 0.035 0.000 2.435 337 L HA 0.214 4.553 4.340 -0.002 0.000 0.195 337 L C 1.929 178.816 176.870 0.028 0.000 1.072 337 L CA 0.765 55.611 54.840 0.010 0.000 0.833 337 L CB -0.433 41.610 42.059 -0.027 0.000 1.081 337 L HN 0.154 nan 8.230 nan 0.000 0.485 338 L N 0.275 121.533 121.223 0.059 0.000 2.079 338 L HA -0.190 4.149 4.340 -0.002 0.000 0.210 338 L C 2.645 179.586 176.870 0.119 0.000 1.081 338 L CA 1.590 56.496 54.840 0.110 0.000 0.752 338 L CB -0.925 41.216 42.059 0.137 0.000 0.896 338 L HN 0.472 nan 8.230 nan 0.000 0.433 339 E N 1.019 121.271 120.200 0.087 0.000 2.023 339 E HA -0.200 4.149 4.350 -0.002 0.000 0.196 339 E C -0.307 176.338 176.600 0.074 0.000 1.003 339 E CA 1.772 58.218 56.400 0.078 0.000 0.809 339 E CB -1.111 28.625 29.700 0.059 0.000 0.755 339 E HN 0.290 nan 8.360 nan 0.000 0.449 340 P HA -0.085 nan 4.420 nan 0.000 0.218 340 P C 1.874 179.231 177.300 0.096 0.000 1.149 340 P CA 0.826 63.964 63.100 0.063 0.000 0.817 340 P CB -0.139 31.581 31.700 0.033 0.000 0.785 341 L N -0.542 120.736 121.223 0.093 0.000 1.976 341 L HA -0.168 4.171 4.340 -0.002 0.000 0.209 341 L C 2.123 179.091 176.870 0.164 0.000 1.071 341 L CA 1.886 56.812 54.840 0.143 0.000 0.746 341 L CB -0.791 41.370 42.059 0.169 0.000 0.890 341 L HN -0.137 nan 8.230 nan 0.000 0.432 342 V N 0.155 120.141 119.914 0.119 0.000 2.392 342 V HA -0.331 3.788 4.120 -0.002 0.000 0.249 342 V C 2.518 178.559 176.094 -0.089 0.000 1.059 342 V CA 2.138 64.411 62.300 -0.046 0.000 1.051 342 V CB -0.617 31.251 31.823 0.076 0.000 0.658 342 V HN 0.482 nan 8.190 nan 0.000 0.455 343 K N -0.423 119.988 120.400 0.019 0.000 2.097 343 K HA -0.222 4.097 4.320 -0.002 0.000 0.206 343 K C 2.095 178.694 176.600 -0.001 0.000 1.049 343 K CA 1.839 58.135 56.287 0.015 0.000 0.933 343 K CB -0.280 32.249 32.500 0.047 0.000 0.717 343 K HN 0.437 nan 8.250 nan 0.000 0.442 344 F N 1.696 121.586 119.950 -0.101 0.000 2.113 344 F HA -0.165 4.361 4.527 -0.002 0.000 0.297 344 F C 2.198 177.891 175.800 -0.177 0.000 1.103 344 F CA 1.223 59.162 58.000 -0.102 0.000 1.248 344 F CB -0.132 38.827 39.000 -0.069 0.000 0.999 344 F HN 0.051 nan 8.300 nan 0.000 0.475 345 Q N 0.464 120.092 119.800 -0.286 0.000 2.096 345 Q HA -0.156 4.183 4.340 -0.002 0.000 0.204 345 Q C 2.572 178.187 176.000 -0.642 0.000 0.982 345 Q CA 1.780 57.170 55.803 -0.688 0.000 0.850 345 Q CB -1.135 26.718 28.738 -1.475 0.000 0.901 345 Q HN 0.428 nan 8.270 nan 0.000 0.422 346 V N 0.464 120.117 119.914 -0.436 0.000 2.295 346 V HA -0.189 3.930 4.120 -0.002 0.000 0.246 346 V C 2.350 178.356 176.094 -0.147 0.000 1.049 346 V CA 2.012 64.229 62.300 -0.138 0.000 1.024 346 V CB -1.226 30.579 31.823 -0.030 0.000 0.648 346 V HN 0.458 nan 8.190 nan 0.000 0.447 347 G N -0.198 108.480 108.800 -0.203 0.000 2.418 347 G HA2 -0.256 3.702 3.960 -0.002 0.000 0.217 347 G HA3 -0.256 3.702 3.960 -0.002 0.000 0.217 347 G C 1.588 176.345 174.900 -0.238 0.000 1.158 347 G CA 1.168 46.157 45.100 -0.186 0.000 0.771 347 G HN 0.439 nan 8.290 nan 0.000 0.545 348 L N 0.617 121.587 121.223 -0.422 0.000 2.046 348 L HA 0.118 4.457 4.340 -0.002 0.000 0.208 348 L C 2.570 179.334 176.870 -0.176 0.000 1.077 348 L CA 2.248 56.860 54.840 -0.379 0.000 0.747 348 L CB -0.539 41.133 42.059 -0.644 0.000 0.896 348 L HN 0.152 nan 8.230 nan 0.000 0.432 349 K N 0.241 120.556 120.400 -0.142 0.000 2.057 349 K HA -0.164 4.155 4.320 -0.002 0.000 0.207 349 K C 1.996 178.589 176.600 -0.012 0.000 1.049 349 K CA 1.607 57.878 56.287 -0.027 0.000 0.931 349 K CB -0.169 32.364 32.500 0.055 0.000 0.714 349 K HN 0.333 nan 8.250 nan 0.000 0.440 350 K N 0.159 120.540 120.400 -0.032 0.000 2.442 350 K HA -0.027 4.291 4.320 -0.002 0.000 0.198 350 K C 1.278 177.875 176.600 -0.004 0.000 1.042 350 K CA 0.701 56.980 56.287 -0.014 0.000 0.958 350 K CB -0.023 32.462 32.500 -0.024 0.000 0.766 350 K HN 0.203 nan 8.250 nan 0.000 0.474 351 L N 0.640 121.856 121.223 -0.012 0.000 2.599 351 L HA 0.028 4.367 4.340 -0.002 0.000 0.230 351 L C 0.138 177.055 176.870 0.079 0.000 1.141 351 L CA 0.151 54.999 54.840 0.012 0.000 0.877 351 L CB -0.416 41.637 42.059 -0.010 0.000 1.009 351 L HN 0.109 nan 8.230 nan 0.000 0.447 352 K N 1.291 121.737 120.400 0.077 0.000 3.139 352 K HA -0.193 4.125 4.320 -0.002 0.000 0.261 352 K C -0.006 176.716 176.600 0.204 0.000 0.895 352 K CA 0.259 56.616 56.287 0.117 0.000 0.664 352 K CB -1.698 30.879 32.500 0.128 0.000 1.388 352 K HN 0.367 nan 8.250 nan 0.000 0.472 353 L N 0.767 122.094 121.223 0.173 0.000 2.516 353 L HA -0.045 4.294 4.340 -0.002 0.000 0.288 353 L C 1.339 178.350 176.870 0.236 0.000 1.246 353 L CA 0.392 55.361 54.840 0.215 0.000 0.844 353 L CB 0.023 42.171 42.059 0.148 0.000 1.106 353 L HN 0.254 nan 8.230 nan 0.000 0.509 354 H N 0.811 119.892 119.070 0.018 0.000 2.551 354 H HA 0.005 4.560 4.556 -0.002 0.000 0.358 354 H C 0.603 175.903 175.328 -0.047 0.000 1.151 354 H CA -0.579 55.442 56.048 -0.045 0.000 1.374 354 H CB 1.460 31.198 29.762 -0.040 0.000 1.473 354 H HN 0.672 nan 8.280 nan 0.000 0.574 355 E N 1.747 121.987 120.200 0.066 0.000 2.171 355 E HA -0.249 4.099 4.350 -0.002 0.000 0.197 355 E C 1.023 177.610 176.600 -0.022 0.000 0.997 355 E CA 1.525 57.934 56.400 0.014 0.000 0.810 355 E CB 0.209 29.934 29.700 0.043 0.000 0.738 355 E HN 0.612 nan 8.360 nan 0.000 0.467 356 E N 0.328 120.475 120.200 -0.087 0.000 2.106 356 E HA -0.161 4.188 4.350 -0.002 0.000 0.192 356 E C 1.829 178.250 176.600 -0.298 0.000 0.984 356 E CA 1.435 57.673 56.400 -0.270 0.000 0.806 356 E CB 0.056 29.403 29.700 -0.588 0.000 0.750 356 E HN 0.382 nan 8.360 nan 0.000 0.458 357 E N -0.402 119.657 120.200 -0.235 0.000 2.158 357 E HA -0.148 4.200 4.350 -0.002 0.000 0.191 357 E C 2.001 178.579 176.600 -0.036 0.000 0.982 357 E CA 0.685 57.013 56.400 -0.120 0.000 0.823 357 E CB -0.133 29.561 29.700 -0.010 0.000 0.766 357 E HN 0.360 nan 8.360 nan 0.000 0.468 358 H N 0.881 119.882 119.070 -0.116 0.000 2.326 358 H HA -0.057 4.498 4.556 -0.002 0.000 0.301 358 H C 2.226 177.433 175.328 -0.202 0.000 1.081 358 H CA 1.318 57.280 56.048 -0.144 0.000 1.334 358 H CB 0.069 29.733 29.762 -0.164 0.000 1.385 358 H HN 0.082 nan 8.280 nan 0.000 0.504 359 V N 1.018 120.843 119.914 -0.148 0.000 2.515 359 V HA -0.173 3.946 4.120 -0.002 0.000 0.250 359 V C 2.609 178.679 176.094 -0.040 0.000 1.058 359 V CA 1.238 63.435 62.300 -0.170 0.000 1.064 359 V CB -0.469 31.320 31.823 -0.056 0.000 0.675 359 V HN 0.325 nan 8.190 nan 0.000 0.461 360 L N -1.005 120.181 121.223 -0.061 0.000 2.109 360 L HA -0.080 4.259 4.340 -0.002 0.000 0.207 360 L C 2.328 179.179 176.870 -0.032 0.000 1.086 360 L CA 1.201 56.027 54.840 -0.024 0.000 0.760 360 L CB -0.434 41.602 42.059 -0.037 0.000 0.910 360 L HN 0.375 nan 8.230 nan 0.000 0.437 361 L N -0.613 120.558 121.223 -0.088 0.000 2.131 361 L HA -0.191 4.147 4.340 -0.002 0.000 0.210 361 L C 2.305 179.111 176.870 -0.106 0.000 1.092 361 L CA 1.751 56.532 54.840 -0.099 0.000 0.759 361 L CB -0.292 41.691 42.059 -0.126 0.000 0.903 361 L HN 0.203 nan 8.230 nan 0.000 0.435 362 M N -1.696 117.810 119.600 -0.157 0.000 2.193 362 M HA -0.062 4.417 4.480 -0.002 0.000 0.265 362 M C 2.254 178.597 176.300 0.072 0.000 1.071 362 M CA 1.364 56.591 55.300 -0.122 0.000 1.140 362 M CB -0.442 31.954 32.600 -0.340 0.000 1.369 362 M HN 0.377 nan 8.290 nan 0.000 0.423 363 A N 0.666 123.580 122.820 0.157 0.000 1.930 363 A HA -0.101 4.218 4.320 -0.002 0.000 0.217 363 A C 2.038 179.650 177.584 0.047 0.000 1.175 363 A CA 1.284 53.395 52.037 0.123 0.000 0.627 363 A CB -0.799 18.239 19.000 0.064 0.000 0.815 363 A HN 0.428 nan 8.150 nan 0.000 0.443 364 I N -0.920 119.668 120.570 0.030 0.000 2.252 364 I HA -0.275 3.894 4.170 -0.002 0.000 0.245 364 I C 2.687 178.813 176.117 0.015 0.000 1.102 364 I CA 1.210 62.523 61.300 0.021 0.000 1.385 364 I CB -0.341 37.664 38.000 0.009 0.000 1.064 364 I HN 0.569 nan 8.210 nan 0.000 0.414 365 C N 0.797 120.098 119.300 0.001 0.000 2.425 365 C HA -0.127 4.331 4.460 -0.002 0.000 0.277 365 C C 2.685 177.681 174.990 0.010 0.000 1.280 365 C CA 0.607 59.621 59.018 -0.005 0.000 1.744 365 C CB -0.878 26.847 27.740 -0.025 0.000 1.989 365 C HN 0.506 nan 8.230 nan 0.000 0.491 366 L N 0.670 121.906 121.223 0.021 0.000 2.201 366 L HA 0.217 4.556 4.340 -0.002 0.000 0.212 366 L C 1.528 178.434 176.870 0.059 0.000 1.105 366 L CA 1.764 56.619 54.840 0.025 0.000 0.775 366 L CB -0.652 41.405 42.059 -0.004 0.000 0.913 366 L HN 0.366 nan 8.230 nan 0.000 0.440 367 L N -0.338 120.922 121.223 0.061 0.000 2.978 367 L HA 0.214 4.552 4.340 -0.002 0.000 0.239 367 L C 0.406 177.316 176.870 0.067 0.000 1.293 367 L CA -0.256 54.637 54.840 0.087 0.000 1.085 367 L CB -0.342 41.768 42.059 0.085 0.000 1.432 367 L HN -0.010 nan 8.230 nan 0.000 0.512 368 S N 2.178 117.909 115.700 0.053 0.000 2.422 368 S HA 0.141 4.610 4.470 -0.002 0.000 0.283 368 S C -1.208 173.422 174.600 0.049 0.000 1.163 368 S CA -0.887 57.337 58.200 0.040 0.000 1.054 368 S CB 0.839 64.052 63.200 0.023 0.000 0.967 368 S HN 0.198 nan 8.310 nan 0.000 0.499 369 P HA -0.054 nan 4.420 nan 0.000 0.230 369 P C -0.387 176.937 177.300 0.039 0.000 1.158 369 P CA 0.616 63.758 63.100 0.070 0.000 0.769 369 P CB -0.253 31.503 31.700 0.094 0.000 0.807 370 D N 0.575 120.986 120.400 0.018 0.000 3.032 370 D HA 0.099 4.738 4.640 -0.002 0.000 0.241 370 D C 0.339 176.639 176.300 0.000 0.000 1.196 370 D CA -0.068 53.929 54.000 -0.006 0.000 0.927 370 D CB -0.290 40.505 40.800 -0.008 0.000 1.129 370 D HN -0.017 nan 8.370 nan 0.000 0.458 371 R N 1.549 122.056 120.500 0.011 0.000 2.599 371 R HA 0.428 4.767 4.340 -0.002 0.000 0.295 371 R C -2.692 173.617 176.300 0.016 0.000 0.963 371 R CA -2.185 53.925 56.100 0.017 0.000 0.883 371 R CB 1.065 31.384 30.300 0.032 0.000 1.171 371 R HN 0.114 nan 8.270 nan 0.000 0.450 372 P HA 0.039 nan 4.420 nan 0.000 0.268 372 P C 0.594 177.908 177.300 0.024 0.000 1.205 372 P CA 0.519 63.628 63.100 0.015 0.000 0.771 372 P CB 0.685 32.395 31.700 0.017 0.000 0.858 373 G N 1.430 110.245 108.800 0.024 0.000 2.195 373 G HA2 -0.228 3.731 3.960 -0.002 0.000 0.246 373 G HA3 -0.228 3.731 3.960 -0.002 0.000 0.246 373 G C 0.118 175.038 174.900 0.034 0.000 0.984 373 G CA 0.101 45.218 45.100 0.028 0.000 0.633 373 G HN 0.729 nan 8.290 nan 0.000 0.525 374 V N -1.433 118.508 119.914 0.044 0.000 2.715 374 V HA 0.678 4.797 4.120 -0.002 0.000 0.299 374 V C 1.045 177.192 176.094 0.088 0.000 1.054 374 V CA 0.301 62.638 62.300 0.061 0.000 1.077 374 V CB 1.548 33.419 31.823 0.079 0.000 0.972 374 V HN 0.233 nan 8.190 nan 0.000 0.484 375 Q N 1.499 121.339 119.800 0.066 0.000 2.514 375 Q HA 0.135 4.474 4.340 -0.002 0.000 0.191 375 Q C 0.929 176.941 176.000 0.021 0.000 0.968 375 Q CA 0.445 56.284 55.803 0.059 0.000 0.852 375 Q CB -0.452 28.292 28.738 0.011 0.000 1.051 375 Q HN 0.944 nan 8.270 nan 0.000 0.604 376 D N 1.976 122.352 120.400 -0.040 0.000 2.826 376 D HA -0.059 4.579 4.640 -0.002 0.000 0.229 376 D C 0.753 176.992 176.300 -0.103 0.000 1.091 376 D CA 0.023 53.955 54.000 -0.114 0.000 1.061 376 D CB -0.413 40.337 40.800 -0.082 0.000 1.155 376 D HN 0.331 nan 8.370 nan 0.000 0.450 377 H N -1.956 117.112 119.070 -0.003 0.000 2.567 377 H HA 0.006 4.561 4.556 -0.002 0.000 0.276 377 H C 1.431 176.762 175.328 0.005 0.000 1.016 377 H CA 0.223 56.273 56.048 0.003 0.000 1.186 377 H CB -0.016 29.750 29.762 0.006 0.000 1.351 377 H HN 0.092 nan 8.280 nan 0.000 0.605 378 V N 0.384 120.171 119.914 -0.212 0.000 2.426 378 V HA -0.077 4.042 4.120 -0.002 0.000 0.242 378 V C 2.720 178.793 176.094 -0.035 0.000 1.036 378 V CA 1.621 63.862 62.300 -0.099 0.000 1.044 378 V CB -0.347 31.382 31.823 -0.157 0.000 0.688 378 V HN 0.448 nan 8.190 nan 0.000 0.462 379 R N 0.114 120.584 120.500 -0.050 0.000 2.090 379 R HA -0.048 4.291 4.340 -0.002 0.000 0.228 379 R C 2.214 178.515 176.300 0.002 0.000 1.110 379 R CA 1.419 57.504 56.100 -0.025 0.000 0.973 379 R CB -0.220 30.057 30.300 -0.039 0.000 0.869 379 R HN 0.442 nan 8.270 nan 0.000 0.440 380 I N 0.971 121.549 120.570 0.014 0.000 2.179 380 I HA -0.251 3.917 4.170 -0.002 0.000 0.242 380 I C 2.429 178.578 176.117 0.054 0.000 1.088 380 I CA 1.517 62.843 61.300 0.043 0.000 1.357 380 I CB -0.380 37.656 38.000 0.061 0.000 1.051 380 I HN 0.261 nan 8.210 nan 0.000 0.409 381 E N 1.656 121.892 120.200 0.061 0.000 2.086 381 E HA -0.274 4.075 4.350 -0.002 0.000 0.200 381 E C 2.054 178.683 176.600 0.048 0.000 1.012 381 E CA 2.111 58.549 56.400 0.064 0.000 0.812 381 E CB -0.225 29.523 29.700 0.081 0.000 0.743 381 E HN 0.437 nan 8.360 nan 0.000 0.453 382 A N 0.461 123.303 122.820 0.035 0.000 1.877 382 A HA -0.121 4.198 4.320 -0.002 0.000 0.216 382 A C 2.403 180.006 177.584 0.033 0.000 1.186 382 A CA 1.559 53.613 52.037 0.029 0.000 0.620 382 A CB -0.824 18.185 19.000 0.016 0.000 0.822 382 A HN 0.354 nan 8.150 nan 0.000 0.443 383 L N -0.812 120.432 121.223 0.034 0.000 2.012 383 L HA -0.277 4.062 4.340 -0.002 0.000 0.210 383 L C 2.947 179.844 176.870 0.046 0.000 1.073 383 L CA 1.977 56.840 54.840 0.039 0.000 0.748 383 L CB -0.600 41.487 42.059 0.047 0.000 0.891 383 L HN 0.603 nan 8.230 nan 0.000 0.431 384 Q N -0.005 119.827 119.800 0.052 0.000 2.135 384 Q HA -0.250 4.088 4.340 -0.002 0.000 0.204 384 Q C 1.730 177.765 176.000 0.059 0.000 0.981 384 Q CA 1.829 57.665 55.803 0.055 0.000 0.856 384 Q CB 0.035 28.805 28.738 0.055 0.000 0.902 384 Q HN 0.489 nan 8.270 nan 0.000 0.425 385 D N -0.012 120.421 120.400 0.055 0.000 2.117 385 D HA -0.181 4.458 4.640 -0.002 0.000 0.197 385 D C 1.928 178.261 176.300 0.055 0.000 0.987 385 D CA 1.107 55.142 54.000 0.058 0.000 0.829 385 D CB -0.169 40.659 40.800 0.046 0.000 0.961 385 D HN 0.256 nan 8.370 nan 0.000 0.460 386 R N 0.225 120.752 120.500 0.045 0.000 2.096 386 R HA -0.117 4.221 4.340 -0.002 0.000 0.235 386 R C 2.153 178.483 176.300 0.050 0.000 1.127 386 R CA 0.750 56.874 56.100 0.041 0.000 0.968 386 R CB -0.099 30.220 30.300 0.032 0.000 0.861 386 R HN 0.059 nan 8.270 nan 0.000 0.440 387 L N 0.256 121.510 121.223 0.053 0.000 2.027 387 L HA -0.195 4.144 4.340 -0.002 0.000 0.206 387 L C 2.486 179.409 176.870 0.089 0.000 1.074 387 L CA 1.362 56.237 54.840 0.057 0.000 0.745 387 L CB -1.403 40.684 42.059 0.046 0.000 0.898 387 L HN 0.392 nan 8.230 nan 0.000 0.433 388 C N -0.133 119.233 119.300 0.110 0.000 2.411 388 C HA -0.186 4.273 4.460 -0.002 0.000 0.279 388 C C 2.426 177.515 174.990 0.165 0.000 1.288 388 C CA 0.659 59.792 59.018 0.192 0.000 1.764 388 C CB -0.798 27.064 27.740 0.204 0.000 1.974 388 C HN 0.522 nan 8.230 nan 0.000 0.498 389 D N 0.086 120.538 120.400 0.087 0.000 2.117 389 D HA -0.090 4.549 4.640 -0.002 0.000 0.198 389 D C 2.117 178.452 176.300 0.058 0.000 0.982 389 D CA 0.936 54.960 54.000 0.040 0.000 0.828 389 D CB -0.094 40.725 40.800 0.032 0.000 0.967 389 D HN 0.236 nan 8.370 nan 0.000 0.464 390 V N 0.701 120.663 119.914 0.080 0.000 2.307 390 V HA -0.189 3.930 4.120 -0.002 0.000 0.245 390 V C 2.342 178.521 176.094 0.142 0.000 1.045 390 V CA 1.091 63.450 62.300 0.098 0.000 1.024 390 V CB -0.495 31.375 31.823 0.078 0.000 0.651 390 V HN 0.200 nan 8.190 nan 0.000 0.449 391 L N 0.070 121.383 121.223 0.150 0.000 2.042 391 L HA -0.224 4.115 4.340 -0.002 0.000 0.210 391 L C 2.460 179.480 176.870 0.249 0.000 1.076 391 L CA 2.233 57.194 54.840 0.202 0.000 0.749 391 L CB -0.835 41.358 42.059 0.223 0.000 0.893 391 L HN 0.381 nan 8.230 nan 0.000 0.432 392 Q N -0.995 118.895 119.800 0.150 0.000 2.050 392 Q HA -0.202 4.137 4.340 -0.002 0.000 0.202 392 Q C 2.177 178.176 176.000 -0.002 0.000 0.980 392 Q CA 1.879 57.635 55.803 -0.079 0.000 0.840 392 Q CB -0.229 28.261 28.738 -0.414 0.000 0.898 392 Q HN 0.677 nan 8.270 nan 0.000 0.424 393 A N -0.060 122.782 122.820 0.036 0.000 1.858 393 A HA -0.244 4.075 4.320 -0.002 0.000 0.216 393 A C 1.907 179.538 177.584 0.077 0.000 1.190 393 A CA 1.585 53.651 52.037 0.049 0.000 0.617 393 A CB -1.251 17.791 19.000 0.069 0.000 0.827 393 A HN 0.664 nan 8.150 nan 0.000 0.443 394 Y N 0.592 120.912 120.300 0.034 0.000 2.081 394 Y HA -0.274 4.275 4.550 -0.002 0.000 0.280 394 Y C 2.099 178.025 175.900 0.043 0.000 1.163 394 Y CA 2.046 60.171 58.100 0.041 0.000 1.135 394 Y CB -0.350 38.138 38.460 0.047 0.000 0.970 394 Y HN 0.291 nan 8.280 nan 0.000 0.498 395 I N 0.018 120.737 120.570 0.249 0.000 2.151 395 I HA -0.373 3.796 4.170 -0.002 0.000 0.243 395 I C 2.810 178.940 176.117 0.021 0.000 1.080 395 I CA 1.769 63.167 61.300 0.164 0.000 1.339 395 I CB -0.535 37.568 38.000 0.172 0.000 1.039 395 I HN 0.233 nan 8.210 nan 0.000 0.409 396 R N 1.446 121.947 120.500 0.002 0.000 2.081 396 R HA -0.157 4.182 4.340 -0.002 0.000 0.235 396 R C 2.127 178.401 176.300 -0.045 0.000 1.131 396 R CA 1.813 57.900 56.100 -0.022 0.000 0.960 396 R CB -0.295 29.991 30.300 -0.023 0.000 0.856 396 R HN 0.377 nan 8.270 nan 0.000 0.436 397 I N 0.218 120.740 120.570 -0.081 0.000 2.400 397 I HA -0.142 4.027 4.170 -0.002 0.000 0.248 397 I C 1.860 177.873 176.117 -0.172 0.000 1.109 397 I CA 0.775 62.011 61.300 -0.107 0.000 1.425 397 I CB -0.087 37.853 38.000 -0.100 0.000 1.094 397 I HN 0.101 nan 8.210 nan 0.000 0.425 398 Q N -0.876 118.715 119.800 -0.348 0.000 2.281 398 Q HA 0.160 4.499 4.340 -0.002 0.000 0.215 398 Q C 0.058 175.945 176.000 -0.187 0.000 0.867 398 Q CA 0.307 55.869 55.803 -0.401 0.000 0.940 398 Q CB 0.495 28.684 28.738 -0.916 0.000 1.111 398 Q HN 0.543 nan 8.270 nan 0.000 0.513 399 H N 1.221 120.154 119.070 -0.228 0.000 2.786 399 H HA 0.287 4.841 4.556 -0.002 0.000 0.284 399 H C -2.392 172.911 175.328 -0.042 0.000 1.104 399 H CA -2.129 53.846 56.048 -0.121 0.000 1.339 399 H CB 1.314 30.940 29.762 -0.226 0.000 1.427 399 H HN -0.126 nan 8.280 nan 0.000 0.497 400 P HA 0.045 nan 4.420 nan 0.000 0.264 400 P C 0.694 178.030 177.300 0.060 0.000 1.193 400 P CA 1.091 64.254 63.100 0.106 0.000 0.763 400 P CB 0.835 32.600 31.700 0.108 0.000 0.810 401 G N 2.704 111.502 108.800 -0.003 0.000 2.148 401 G HA2 -0.209 3.749 3.960 -0.002 0.000 0.254 401 G HA3 -0.209 3.749 3.960 -0.002 0.000 0.254 401 G C 0.783 175.611 174.900 -0.120 0.000 0.981 401 G CA -0.033 45.044 45.100 -0.039 0.000 0.670 401 G HN 0.832 nan 8.290 nan 0.000 0.528 402 G N -0.564 108.135 108.800 -0.168 0.000 3.678 402 G HA2 0.454 4.412 3.960 -0.002 0.000 0.287 402 G HA3 0.454 4.412 3.960 -0.002 0.000 0.287 402 G C 1.221 176.062 174.900 -0.097 0.000 1.280 402 G CA 0.410 45.364 45.100 -0.244 0.000 1.118 402 G HN 0.442 nan 8.290 nan 0.000 0.563 403 R N -0.145 120.319 120.500 -0.060 0.000 2.075 403 R HA 0.021 4.360 4.340 -0.002 0.000 0.232 403 R C 1.848 178.146 176.300 -0.004 0.000 1.126 403 R CA 0.949 57.034 56.100 -0.025 0.000 0.963 403 R CB -0.341 29.947 30.300 -0.019 0.000 0.858 403 R HN 0.361 nan 8.270 nan 0.000 0.435 404 L N -0.408 120.808 121.223 -0.012 0.000 2.416 404 L HA 0.121 4.460 4.340 -0.002 0.000 0.216 404 L C 1.758 178.639 176.870 0.020 0.000 1.098 404 L CA 0.468 55.313 54.840 0.009 0.000 0.840 404 L CB -0.757 41.299 42.059 -0.005 0.000 0.981 404 L HN 0.045 nan 8.230 nan 0.000 0.462 405 L N -0.213 121.001 121.223 -0.015 0.000 2.017 405 L HA -0.367 3.972 4.340 -0.002 0.000 0.234 405 L C 2.513 179.408 176.870 0.042 0.000 1.097 405 L CA 2.246 57.075 54.840 -0.018 0.000 0.816 405 L CB -1.111 40.901 42.059 -0.080 0.000 0.914 405 L HN 0.334 nan 8.230 nan 0.000 0.444 406 Y N -0.054 120.233 120.300 -0.022 0.000 2.029 406 Y HA -0.415 4.134 4.550 -0.002 0.000 0.269 406 Y C 2.387 178.287 175.900 -0.000 0.000 1.201 406 Y CA 2.894 60.994 58.100 -0.001 0.000 1.115 406 Y CB -0.907 37.557 38.460 0.006 0.000 0.945 406 Y HN 0.377 nan 8.280 nan 0.000 0.497 407 A N -0.036 122.866 122.820 0.136 0.000 1.940 407 A HA -0.254 4.065 4.320 -0.002 0.000 0.219 407 A C 2.207 179.762 177.584 -0.047 0.000 1.176 407 A CA 2.184 54.247 52.037 0.043 0.000 0.631 407 A CB -0.633 18.418 19.000 0.084 0.000 0.814 407 A HN 0.601 nan 8.150 nan 0.000 0.446 408 K N -1.033 119.344 120.400 -0.038 0.000 2.097 408 K HA -0.019 4.300 4.320 -0.002 0.000 0.205 408 K C 2.059 178.613 176.600 -0.076 0.000 1.050 408 K CA 1.529 57.788 56.287 -0.047 0.000 0.938 408 K CB -0.263 32.214 32.500 -0.037 0.000 0.718 408 K HN 0.522 nan 8.250 nan 0.000 0.442 409 M N 0.516 120.043 119.600 -0.120 0.000 2.175 409 M HA -0.130 4.349 4.480 -0.002 0.000 0.264 409 M C 1.927 178.131 176.300 -0.161 0.000 1.063 409 M CA 1.112 56.330 55.300 -0.137 0.000 1.119 409 M CB -0.179 32.322 32.600 -0.165 0.000 1.377 409 M HN 0.071 nan 8.290 nan 0.000 0.415 410 I N 0.222 120.643 120.570 -0.248 0.000 2.315 410 I HA -0.232 3.937 4.170 -0.002 0.000 0.248 410 I C 2.452 178.519 176.117 -0.083 0.000 1.117 410 I CA 1.456 62.638 61.300 -0.197 0.000 1.404 410 I CB -1.385 36.473 38.000 -0.236 0.000 1.071 410 I HN 0.339 nan 8.210 nan 0.000 0.419 411 Q N 1.616 121.380 119.800 -0.060 0.000 2.181 411 Q HA -0.197 4.142 4.340 -0.002 0.000 0.205 411 Q C 2.009 178.025 176.000 0.027 0.000 0.980 411 Q CA 1.662 57.457 55.803 -0.013 0.000 0.862 411 Q CB -0.071 28.661 28.738 -0.009 0.000 0.905 411 Q HN 0.165 nan 8.270 nan 0.000 0.429 412 K N 0.044 120.467 120.400 0.039 0.000 2.148 412 K HA -0.040 4.279 4.320 -0.002 0.000 0.204 412 K C 2.008 178.704 176.600 0.160 0.000 1.050 412 K CA 0.888 57.275 56.287 0.165 0.000 0.942 412 K CB -0.367 32.210 32.500 0.129 0.000 0.724 412 K HN 0.346 nan 8.250 nan 0.000 0.446 413 L N 0.232 121.482 121.223 0.045 0.000 2.093 413 L HA -0.136 4.203 4.340 -0.002 0.000 0.208 413 L C 2.435 179.298 176.870 -0.013 0.000 1.085 413 L CA 1.137 55.979 54.840 0.004 0.000 0.755 413 L CB -0.563 41.481 42.059 -0.025 0.000 0.904 413 L HN 0.072 nan 8.230 nan 0.000 0.435 414 A N -0.200 122.619 122.820 -0.002 0.000 1.930 414 A HA -0.190 4.129 4.320 -0.002 0.000 0.217 414 A C 1.904 179.477 177.584 -0.018 0.000 1.175 414 A CA 1.615 53.646 52.037 -0.010 0.000 0.627 414 A CB -0.376 18.623 19.000 -0.001 0.000 0.815 414 A HN 0.353 nan 8.150 nan 0.000 0.443 415 D N 0.244 120.651 120.400 0.011 0.000 2.144 415 D HA -0.109 4.530 4.640 -0.002 0.000 0.199 415 D C 1.918 178.119 176.300 -0.164 0.000 0.984 415 D CA 0.910 54.904 54.000 -0.009 0.000 0.834 415 D CB -0.294 40.600 40.800 0.157 0.000 0.955 415 D HN 0.449 nan 8.370 nan 0.000 0.465 416 L N 0.608 121.698 121.223 -0.221 0.000 2.083 416 L HA -0.139 4.200 4.340 -0.002 0.000 0.209 416 L C 2.547 179.305 176.870 -0.186 0.000 1.083 416 L CA 0.789 55.438 54.840 -0.319 0.000 0.752 416 L CB -0.175 41.733 42.059 -0.252 0.000 0.899 416 L HN -0.090 nan 8.230 nan 0.000 0.433 417 R N -0.124 120.310 120.500 -0.111 0.000 2.091 417 R HA -0.095 4.243 4.340 -0.002 0.000 0.238 417 R C 2.423 178.679 176.300 -0.073 0.000 1.136 417 R CA 1.481 57.537 56.100 -0.075 0.000 0.959 417 R CB -1.123 29.150 30.300 -0.045 0.000 0.856 417 R HN 0.308 nan 8.270 nan 0.000 0.437 418 S N 1.324 116.980 115.700 -0.073 0.000 2.368 418 S HA -0.010 4.459 4.470 -0.002 0.000 0.224 418 S C 2.130 176.685 174.600 -0.076 0.000 1.029 418 S CA 0.807 58.972 58.200 -0.059 0.000 0.988 418 S CB -0.194 62.980 63.200 -0.043 0.000 0.838 418 S HN 0.189 nan 8.310 nan 0.000 0.462 419 L N 1.872 123.019 121.223 -0.127 0.000 2.046 419 L HA -0.137 4.202 4.340 -0.002 0.000 0.208 419 L C 2.600 179.402 176.870 -0.114 0.000 1.077 419 L CA 1.051 55.804 54.840 -0.145 0.000 0.747 419 L CB -0.679 41.222 42.059 -0.264 0.000 0.896 419 L HN 0.317 nan 8.230 nan 0.000 0.432 420 N N 0.473 119.101 118.700 -0.121 0.000 2.069 420 N HA -0.250 4.489 4.740 -0.002 0.000 0.191 420 N C 1.797 177.286 175.510 -0.035 0.000 1.031 420 N CA 1.724 54.723 53.050 -0.085 0.000 0.852 420 N CB 0.004 38.443 38.487 -0.080 0.000 1.018 420 N HN 0.194 nan 8.380 nan 0.000 0.423 421 E N 0.775 120.952 120.200 -0.038 0.000 2.038 421 E HA -0.186 4.163 4.350 -0.002 0.000 0.195 421 E C 1.746 178.331 176.600 -0.024 0.000 1.000 421 E CA 1.392 57.777 56.400 -0.024 0.000 0.803 421 E CB -0.451 29.235 29.700 -0.023 0.000 0.750 421 E HN 0.340 nan 8.360 nan 0.000 0.448 422 E N -0.311 119.873 120.200 -0.027 0.000 2.051 422 E HA -0.224 4.125 4.350 -0.002 0.000 0.192 422 E C 2.048 178.626 176.600 -0.037 0.000 0.991 422 E CA 1.695 58.081 56.400 -0.024 0.000 0.799 422 E CB -0.544 29.142 29.700 -0.022 0.000 0.748 422 E HN 0.514 nan 8.360 nan 0.000 0.449 423 H N -0.390 118.603 119.070 -0.128 0.000 2.352 423 H HA -0.060 4.495 4.556 -0.002 0.000 0.299 423 H C 1.992 177.263 175.328 -0.095 0.000 1.097 423 H CA 1.840 57.784 56.048 -0.173 0.000 1.311 423 H CB -0.057 29.523 29.762 -0.304 0.000 1.377 423 H HN 0.152 nan 8.280 nan 0.000 0.504 424 S N 0.407 116.009 115.700 -0.163 0.000 2.370 424 S HA -0.126 4.343 4.470 -0.002 0.000 0.226 424 S C 2.129 176.662 174.600 -0.112 0.000 1.033 424 S CA 1.294 59.407 58.200 -0.144 0.000 1.011 424 S CB -0.024 63.152 63.200 -0.040 0.000 0.852 424 S HN 0.459 nan 8.310 nan 0.000 0.457 425 K N 0.761 121.112 120.400 -0.082 0.000 1.985 425 K HA -0.105 4.214 4.320 -0.002 0.000 0.210 425 K C 2.468 179.019 176.600 -0.081 0.000 1.047 425 K CA 1.371 57.626 56.287 -0.053 0.000 0.932 425 K CB -0.262 32.224 32.500 -0.024 0.000 0.716 425 K HN 0.402 nan 8.250 nan 0.000 0.439 426 Q N -0.521 119.232 119.800 -0.077 0.000 2.135 426 Q HA -0.217 4.121 4.340 -0.002 0.000 0.204 426 Q C 1.965 177.861 176.000 -0.174 0.000 0.981 426 Q CA 1.619 57.382 55.803 -0.067 0.000 0.856 426 Q CB -0.193 28.619 28.738 0.123 0.000 0.902 426 Q HN 0.372 nan 8.270 nan 0.000 0.425 427 Y N 1.158 121.241 120.300 -0.363 0.000 2.200 427 Y HA -0.190 4.360 4.550 -0.001 0.000 0.290 427 Y C 2.385 178.076 175.900 -0.349 0.000 1.137 427 Y CA 1.453 59.309 58.100 -0.407 0.000 1.163 427 Y CB -0.025 38.067 38.460 -0.614 0.000 0.988 427 Y HN -0.097 nan 8.280 nan 0.000 0.518 428 R N -0.240 120.063 120.500 -0.329 0.000 2.096 428 R HA -0.187 4.152 4.340 -0.002 0.000 0.240 428 R C 2.293 178.148 176.300 -0.742 0.000 1.139 428 R CA 2.009 57.760 56.100 -0.581 0.000 0.952 428 R CB -0.370 29.740 30.300 -0.316 0.000 0.854 428 R HN 0.375 nan 8.270 nan 0.000 0.436 429 S N 0.990 116.489 115.700 -0.336 0.000 2.356 429 S HA -0.166 4.303 4.470 -0.002 0.000 0.223 429 S C 1.779 176.270 174.600 -0.182 0.000 1.032 429 S CA 1.072 59.191 58.200 -0.135 0.000 1.005 429 S CB -0.361 62.800 63.200 -0.064 0.000 0.867 429 S HN 0.223 nan 8.310 nan 0.000 0.449 430 L N 1.870 122.913 121.223 -0.301 0.000 2.042 430 L HA -0.071 4.268 4.340 -0.002 0.000 0.210 430 L C 2.552 179.228 176.870 -0.324 0.000 1.076 430 L CA 1.826 56.504 54.840 -0.270 0.000 0.749 430 L CB -0.917 40.891 42.059 -0.419 0.000 0.893 430 L HN 0.350 nan 8.230 nan 0.000 0.432 431 S N -1.306 114.012 115.700 -0.636 0.000 2.382 431 S HA -0.174 4.295 4.470 -0.002 0.000 0.228 431 S C 1.869 176.292 174.600 -0.295 0.000 1.027 431 S CA 1.139 58.971 58.200 -0.614 0.000 0.991 431 S CB -0.461 62.193 63.200 -0.910 0.000 0.823 431 S HN 0.427 nan 8.310 nan 0.000 0.469 432 F N 1.537 121.401 119.950 -0.143 0.000 2.661 432 F HA 0.319 4.845 4.527 -0.002 0.000 0.298 432 F C 1.333 177.077 175.800 -0.093 0.000 1.137 432 F CA 0.104 58.049 58.000 -0.092 0.000 1.454 432 F CB -0.481 38.474 39.000 -0.074 0.000 1.103 432 F HN 0.245 nan 8.300 nan 0.000 0.577 433 Q N 2.327 122.156 119.800 0.047 0.000 2.421 433 Q HA 0.122 4.461 4.340 -0.002 0.000 0.242 433 Q C -1.495 174.449 176.000 -0.094 0.000 1.024 433 Q CA -1.848 53.913 55.803 -0.070 0.000 0.891 433 Q CB 1.121 29.740 28.738 -0.197 0.000 1.222 433 Q HN 0.005 nan 8.270 nan 0.000 0.483 434 P HA -0.288 nan 4.420 nan 0.000 0.217 434 P C 0.896 178.159 177.300 -0.061 0.000 1.148 434 P CA 1.454 64.528 63.100 -0.043 0.000 0.828 434 P CB 0.273 31.955 31.700 -0.029 0.000 0.783 435 E N 0.239 120.358 120.200 -0.135 0.000 2.204 435 E HA -0.225 4.124 4.350 -0.002 0.000 0.195 435 E C 1.579 178.170 176.600 -0.015 0.000 0.990 435 E CA 1.354 57.685 56.400 -0.115 0.000 0.821 435 E CB -1.206 28.380 29.700 -0.191 0.000 0.750 435 E HN 0.503 nan 8.360 nan 0.000 0.477 436 H N 0.871 119.915 119.070 -0.042 0.000 2.388 436 H HA 0.057 4.612 4.556 -0.001 0.000 0.304 436 H C 2.562 177.851 175.328 -0.066 0.000 1.049 436 H CA 0.947 56.958 56.048 -0.062 0.000 1.371 436 H CB 0.307 30.012 29.762 -0.095 0.000 1.436 436 H HN 0.294 nan 8.280 nan 0.000 0.544 437 S N 1.811 117.540 115.700 0.048 0.000 2.419 437 S HA -0.233 4.236 4.470 -0.002 0.000 0.235 437 S C 2.132 176.744 174.600 0.019 0.000 1.019 437 S CA 1.423 59.622 58.200 -0.001 0.000 0.982 437 S CB -0.541 62.644 63.200 -0.025 0.000 0.789 437 S HN 0.536 nan 8.310 nan 0.000 0.490 438 M N -0.599 119.014 119.600 0.023 0.000 2.557 438 M HA 0.125 4.604 4.480 -0.002 0.000 0.259 438 M C 1.596 177.911 176.300 0.024 0.000 1.086 438 M CA 1.017 56.329 55.300 0.020 0.000 1.096 438 M CB -0.308 32.301 32.600 0.015 0.000 1.424 438 M HN 0.107 nan 8.290 nan 0.000 0.488 439 Q N 1.321 121.140 119.800 0.032 0.000 2.398 439 Q HA 0.338 4.676 4.340 -0.002 0.000 0.204 439 Q C 1.019 177.027 176.000 0.013 0.000 0.932 439 Q CA 0.368 56.186 55.803 0.024 0.000 0.916 439 Q CB 0.219 28.974 28.738 0.028 0.000 1.024 439 Q HN 0.596 nan 8.270 nan 0.000 0.504 440 L N 0.698 121.936 121.223 0.024 0.000 2.505 440 L HA 0.198 4.537 4.340 -0.002 0.000 0.226 440 L C 0.919 177.798 176.870 0.013 0.000 1.211 440 L CA -0.215 54.646 54.840 0.035 0.000 0.828 440 L CB 0.118 42.231 42.059 0.090 0.000 1.331 440 L HN -0.008 nan 8.230 nan 0.000 0.513 441 T N -4.414 110.143 114.554 0.005 0.000 2.932 441 T HA 0.381 4.730 4.350 -0.002 0.000 0.289 441 T C -2.196 172.498 174.700 -0.010 0.000 1.039 441 T CA -1.957 60.132 62.100 -0.019 0.000 1.024 441 T CB 1.938 70.771 68.868 -0.058 0.000 1.090 441 T HN 0.216 nan 8.240 nan 0.000 0.496 442 P HA -0.123 nan 4.420 nan 0.000 0.215 442 P C 1.711 178.991 177.300 -0.034 0.000 1.163 442 P CA 0.536 63.628 63.100 -0.014 0.000 0.894 442 P CB -0.031 31.660 31.700 -0.014 0.000 0.791 443 L N -0.579 120.607 121.223 -0.061 0.000 2.012 443 L HA -0.144 4.195 4.340 -0.002 0.000 0.210 443 L C 2.179 178.952 176.870 -0.161 0.000 1.073 443 L CA 1.896 56.674 54.840 -0.104 0.000 0.748 443 L CB -1.230 40.760 42.059 -0.115 0.000 0.891 443 L HN -0.180 nan 8.230 nan 0.000 0.431 444 V N -0.412 119.420 119.914 -0.137 0.000 2.343 444 V HA -0.302 3.817 4.120 -0.002 0.000 0.247 444 V C 2.597 178.659 176.094 -0.053 0.000 1.051 444 V CA 1.986 64.189 62.300 -0.163 0.000 1.036 444 V CB -0.538 31.292 31.823 0.011 0.000 0.654 444 V HN 0.448 nan 8.190 nan 0.000 0.451 445 L N -0.426 120.826 121.223 0.049 0.000 2.083 445 L HA -0.199 4.140 4.340 -0.002 0.000 0.209 445 L C 2.571 179.473 176.870 0.054 0.000 1.083 445 L CA 1.753 56.667 54.840 0.123 0.000 0.752 445 L CB -0.453 41.659 42.059 0.089 0.000 0.899 445 L HN 0.403 nan 8.230 nan 0.000 0.433 446 E N -0.262 119.922 120.200 -0.027 0.000 2.046 446 E HA -0.161 4.188 4.350 -0.002 0.000 0.190 446 E C 2.233 178.779 176.600 -0.091 0.000 0.982 446 E CA 1.120 57.495 56.400 -0.043 0.000 0.800 446 E CB 0.211 29.878 29.700 -0.055 0.000 0.756 446 E HN 0.239 nan 8.360 nan 0.000 0.449 447 V N 0.246 120.026 119.914 -0.223 0.000 2.453 447 V HA -0.170 3.949 4.120 -0.002 0.000 0.247 447 V C 1.574 177.488 176.094 -0.299 0.000 1.048 447 V CA 1.428 63.526 62.300 -0.337 0.000 1.049 447 V CB -0.335 31.140 31.823 -0.579 0.000 0.672 447 V HN 0.276 nan 8.190 nan 0.000 0.457 448 F N 0.118 119.970 119.950 -0.164 0.000 2.693 448 F HA 0.403 4.929 4.527 -0.002 0.000 0.303 448 F C 1.520 177.267 175.800 -0.089 0.000 1.097 448 F CA -0.199 57.624 58.000 -0.296 0.000 1.330 448 F CB 0.074 38.530 39.000 -0.908 0.000 1.067 448 F HN 0.216 nan 8.300 nan 0.000 0.565 449 G N 0.112 109.004 108.800 0.153 0.000 2.537 449 G HA2 0.230 4.189 3.960 -0.002 0.000 0.273 449 G HA3 0.230 4.189 3.960 -0.002 0.000 0.273 449 G C 0.722 175.690 174.900 0.114 0.000 1.189 449 G CA -0.183 45.015 45.100 0.163 0.000 0.881 449 G HN 0.188 nan 8.290 nan 0.000 0.535 450 S N -1.986 113.780 115.700 0.111 0.000 2.575 450 S HA 0.302 4.771 4.470 -0.002 0.000 0.215 450 S C 0.980 175.623 174.600 0.072 0.000 0.966 450 S CA 0.734 58.988 58.200 0.091 0.000 0.911 450 S CB -0.004 63.260 63.200 0.106 0.000 0.780 450 S HN 0.971 nan 8.310 nan 0.000 0.514 451 E N 1.220 121.460 120.200 0.066 0.000 1.865 451 E HA 0.652 5.001 4.350 -0.002 0.000 0.269 451 E C -0.052 176.569 176.600 0.036 0.000 1.177 451 E CA 0.103 56.532 56.400 0.049 0.000 0.932 451 E CB -0.290 29.438 29.700 0.046 0.000 1.066 451 E HN 0.861 nan 8.360 nan 0.000 0.405 452 V N 0.000 119.934 119.914 0.033 0.000 2.409 452 V HA 0.000 4.119 4.120 -0.002 0.000 0.244 452 V CA 0.000 62.315 62.300 0.025 0.000 1.235 452 V CB 0.000 31.839 31.823 0.027 0.000 1.184 452 V HN 0.000 nan 8.190 nan 0.000 0.556