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 1k1g_1_A DATA FIRST_RESID 134 DATA SEQUENCE TRVSDKVMIP QDEYPEINFV GLLIGPRGNT LKNIEKECNA KIMIRGKGSV DATA SEQUENCE KEGKVGRKDG QMLPGEDEPL HALVTANTME NVKKAVEQIR NILKQGIETP DATA SEQUENCE EDQNDLRKMQ LRELARLNGT LR 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 134 T HA 0.000 4.351 4.350 0.002 0.000 0.228 134 T C 0.000 174.701 174.700 0.002 0.000 1.109 134 T CA 0.000 62.101 62.100 0.002 0.000 1.349 134 T CB 0.000 68.869 68.868 0.002 0.000 0.612 135 R N 3.964 124.466 120.500 0.003 0.000 2.621 135 R HA 0.584 5.055 4.340 0.003 -0.129 0.284 135 R C -2.250 174.052 176.300 0.004 0.000 0.998 135 R CA -1.046 55.056 56.100 0.004 0.000 0.895 135 R CB 2.658 32.961 30.300 0.004 0.000 1.195 135 R HN -0.192 8.080 8.270 0.003 0.000 0.450 136 V N 2.548 122.465 119.914 0.005 0.000 2.630 136 V HA 0.226 4.349 4.120 0.004 0.000 0.305 136 V C -1.706 174.392 176.094 0.007 0.000 1.046 136 V CA -1.968 60.335 62.300 0.005 0.000 0.934 136 V CB 3.383 35.208 31.823 0.004 0.000 1.003 136 V HN 0.443 8.502 8.190 0.004 0.133 0.451 137 S N 6.594 122.299 115.700 0.009 0.000 2.536 137 S HA 0.357 4.954 4.470 0.015 -0.119 0.298 137 S C -1.434 173.174 174.600 0.013 0.000 1.083 137 S CA -1.556 56.652 58.200 0.013 0.000 0.995 137 S CB 2.312 65.522 63.200 0.017 0.000 1.058 137 S HN 0.166 8.480 8.310 0.007 0.000 0.488 138 D N 0.751 121.163 120.400 0.019 0.000 2.369 138 D HA 0.069 4.717 4.640 0.013 0.000 0.212 138 D C -1.605 174.713 176.300 0.030 0.000 1.326 138 D CA 0.328 54.338 54.000 0.017 0.000 0.933 138 D CB 3.651 44.457 40.800 0.009 0.000 1.516 138 D HN 0.008 8.392 8.370 0.023 0.000 0.557 139 K N 3.555 123.982 120.400 0.045 0.000 2.106 139 K HA 0.399 4.966 4.320 0.070 -0.205 0.246 139 K C -1.610 175.021 176.600 0.053 0.000 0.987 139 K CA -1.811 54.524 56.287 0.079 0.000 0.904 139 K CB 2.712 35.326 32.500 0.190 0.000 1.071 139 K HN 0.032 8.303 8.250 0.035 0.000 0.453 140 V N 2.180 122.132 119.914 0.063 0.000 2.370 140 V HA 0.279 4.404 4.120 0.007 0.000 0.283 140 V C -1.617 174.502 176.094 0.041 0.000 1.023 140 V CA -2.198 60.119 62.300 0.028 0.000 0.857 140 V CB 1.773 33.601 31.823 0.008 0.000 0.985 140 V HN -0.162 7.974 8.190 0.081 0.103 0.443 141 M N 7.571 127.170 119.600 -0.001 0.000 2.188 141 M HA -0.088 4.414 4.480 0.038 0.000 0.354 141 M C -0.598 175.663 176.300 -0.064 0.000 1.342 141 M CA 0.036 55.328 55.300 -0.013 0.000 1.117 141 M CB -0.020 32.554 32.600 -0.043 0.000 1.670 141 M HN 0.295 8.575 8.290 -0.018 0.000 0.466 142 I N 4.953 125.490 120.570 -0.055 0.000 2.385 142 I HA 0.226 4.217 4.170 -0.299 0.000 0.294 142 I C -1.200 174.832 176.117 -0.141 0.000 0.988 142 I CA -3.527 57.671 61.300 -0.170 0.000 1.265 142 I CB 1.232 39.172 38.000 -0.101 0.000 1.388 142 I HN 0.061 8.280 8.210 0.015 0.000 0.480 143 P HA 0.114 4.514 4.420 -0.033 0.000 0.244 143 P C -0.648 176.697 177.300 0.075 0.000 1.723 143 P CA -0.164 62.897 63.100 -0.065 0.000 1.110 143 P CB -1.302 30.351 31.700 -0.079 0.000 1.972 144 Q N 0.678 120.514 119.800 0.060 0.000 2.515 144 Q HA -0.254 4.537 4.340 0.148 -0.363 0.212 144 Q C 0.872 176.925 176.000 0.087 0.000 0.970 144 Q CA 2.006 57.869 55.803 0.099 0.000 0.941 144 Q CB -0.143 28.642 28.738 0.078 0.000 0.998 144 Q HN 0.004 8.242 8.270 0.025 0.046 0.518 145 D N -4.599 115.846 120.400 0.074 0.000 2.224 145 D HA -0.165 4.498 4.640 0.038 0.000 0.205 145 D C 0.528 176.855 176.300 0.045 0.000 0.965 145 D CA 1.916 55.947 54.000 0.051 0.000 0.852 145 D CB -0.099 40.724 40.800 0.038 0.000 0.947 145 D HN 0.030 8.359 8.370 0.072 0.084 0.494 146 E N -2.466 117.783 120.200 0.080 0.000 2.629 146 E HA 0.064 4.379 4.350 -0.059 0.000 0.197 146 E C -0.251 176.315 176.600 -0.057 0.000 0.955 146 E CA 0.516 56.896 56.400 -0.033 0.000 1.191 146 E CB 2.560 32.193 29.700 -0.111 0.000 1.175 146 E HN -0.770 7.654 8.360 0.156 0.029 0.501 147 Y N -0.392 119.963 120.300 0.093 0.000 2.310 147 Y HA 0.257 4.902 4.550 0.157 0.000 0.326 147 Y C -0.913 175.094 175.900 0.177 0.000 1.151 147 Y CA -2.467 55.746 58.100 0.189 0.000 1.195 147 Y CB -0.468 38.243 38.460 0.418 0.000 1.210 147 Y HN -0.373 8.253 8.280 0.577 0.000 0.483 148 P HA -0.127 4.386 4.420 0.155 0.000 0.210 148 P C -0.228 177.223 177.300 0.251 0.000 1.192 148 P CA 2.291 65.513 63.100 0.203 0.000 0.913 148 P CB 0.841 32.618 31.700 0.128 0.000 0.774 149 E N -8.615 111.753 120.200 0.279 0.000 2.461 149 E HA 0.015 4.652 4.350 0.480 0.000 0.185 149 E C -0.133 176.547 176.600 0.133 0.000 0.942 149 E CA 0.112 56.697 56.400 0.308 0.000 1.434 149 E CB -0.762 29.029 29.700 0.152 0.000 1.899 149 E HN -0.152 8.340 8.360 0.219 0.000 0.862 150 I N -0.575 119.957 120.570 -0.064 0.000 4.898 150 I HA -0.655 3.412 4.170 -0.171 0.000 0.039 150 I C 0.196 176.074 176.117 -0.400 0.000 0.642 150 I CA 2.210 63.311 61.300 -0.330 0.000 0.343 150 I CB -0.839 36.808 38.000 -0.589 0.000 0.416 150 I HN -0.177 8.070 8.210 0.060 0.000 0.199 151 N N 0.332 118.678 118.700 -0.590 0.000 2.434 151 N HA -0.058 4.559 4.740 -0.204 0.000 0.196 151 N C 1.238 176.577 175.510 -0.285 0.000 1.183 151 N CA 1.264 54.103 53.050 -0.352 0.000 0.849 151 N CB -1.042 37.288 38.487 -0.263 0.000 0.992 151 N HN 0.150 8.077 8.380 -0.755 0.000 0.460 152 F N 1.502 121.440 119.950 -0.020 0.000 2.146 152 F HA -0.214 4.287 4.527 -0.044 0.000 0.298 152 F C 2.053 177.840 175.800 -0.022 0.000 1.096 152 F CA 2.612 60.592 58.000 -0.033 0.000 1.275 152 F CB -0.863 38.113 39.000 -0.041 0.000 1.008 152 F HN -0.179 7.520 8.300 -0.810 0.115 0.480 153 V N -1.313 118.675 119.914 0.124 0.000 2.488 153 V HA -0.341 3.820 4.120 0.067 0.000 0.246 153 V C 1.489 177.595 176.094 0.019 0.000 1.046 153 V CA 3.135 65.471 62.300 0.060 0.000 1.053 153 V CB 0.064 31.910 31.823 0.039 0.000 0.679 153 V HN -0.613 7.635 8.190 0.097 0.000 0.458 154 G N -0.758 108.033 108.800 -0.015 0.000 2.575 154 G HA2 -0.373 3.575 3.960 -0.020 0.000 0.215 154 G HA3 -0.373 3.557 3.960 -0.050 0.000 0.215 154 G C 0.789 175.681 174.900 -0.014 0.000 1.262 154 G CA 2.114 47.198 45.100 -0.027 0.000 0.807 154 G HN -0.786 7.420 8.290 -0.038 0.061 0.567 155 L N -0.170 121.042 121.223 -0.019 0.000 2.021 155 L HA -0.332 4.003 4.340 -0.008 0.000 0.215 155 L C 1.675 178.555 176.870 0.016 0.000 1.074 155 L CA 2.194 57.033 54.840 -0.001 0.000 0.760 155 L CB -0.263 41.800 42.059 0.008 0.000 0.889 155 L HN 0.033 8.120 8.230 -0.046 0.116 0.433 156 L N -3.415 117.829 121.223 0.034 0.000 2.191 156 L HA -0.293 4.065 4.340 0.030 0.000 0.212 156 L C 0.592 177.472 176.870 0.017 0.000 1.103 156 L CA 2.303 57.162 54.840 0.032 0.000 0.769 156 L CB 0.059 42.147 42.059 0.047 0.000 0.908 156 L HN -0.709 7.545 8.230 0.048 0.005 0.438 157 I N -4.749 115.828 120.570 0.010 0.000 2.594 157 I HA -0.252 3.920 4.170 0.004 0.000 0.237 157 I C -0.149 175.968 176.117 0.000 0.000 1.071 157 I CA 1.466 62.767 61.300 0.003 0.000 1.427 157 I CB 1.160 39.160 38.000 -0.001 0.000 1.218 157 I HN -0.218 7.826 8.210 0.011 0.172 0.444 158 G N -3.669 105.129 108.800 -0.003 0.000 2.566 158 G HA2 -0.203 3.754 3.960 -0.006 0.000 0.599 158 G HA3 -0.203 3.812 3.960 -0.003 -0.056 0.599 158 G C -2.984 171.912 174.900 -0.006 0.000 1.292 158 G CA -0.949 44.149 45.100 -0.004 0.000 0.922 158 G HN -0.252 8.036 8.290 -0.005 0.000 0.514 159 P HA -0.076 4.340 4.420 -0.008 0.000 0.264 159 P C -0.292 177.005 177.300 -0.005 0.000 1.236 159 P CA 0.119 63.215 63.100 -0.006 0.000 0.811 159 P CB -0.528 31.169 31.700 -0.006 0.000 0.840 160 R N 6.149 126.646 120.500 -0.006 0.000 2.902 160 R HA -0.370 3.966 4.340 -0.005 0.000 0.237 160 R C -1.098 175.199 176.300 -0.004 0.000 0.777 160 R CA 1.632 57.729 56.100 -0.005 0.000 1.747 160 R CB -0.824 29.473 30.300 -0.004 0.000 1.248 160 R HN 0.453 8.719 8.270 -0.007 0.000 0.577 161 G N -1.811 106.987 108.800 -0.004 0.000 3.181 161 G HA2 0.002 3.984 3.960 -0.002 0.000 0.230 161 G HA3 0.002 3.961 3.960 -0.003 0.000 0.230 161 G C -1.098 173.801 174.900 -0.001 0.000 2.154 161 G CA -0.466 44.633 45.100 -0.003 0.000 1.020 161 G HN 0.014 8.162 8.290 -0.004 0.140 0.494 162 N N 1.540 120.239 118.700 -0.002 0.000 2.058 162 N HA -0.321 4.418 4.740 -0.001 0.000 0.191 162 N C 1.482 176.993 175.510 0.001 0.000 1.037 162 N CA 3.654 56.703 53.050 -0.001 0.000 0.848 162 N CB 0.364 38.850 38.487 -0.001 0.000 1.021 162 N HN 0.186 8.527 8.380 -0.002 0.037 0.422 163 T N 2.204 116.759 114.554 0.002 0.000 2.788 163 T HA -0.256 4.096 4.350 0.004 0.000 0.268 163 T C 2.010 176.712 174.700 0.004 0.000 1.044 163 T CA 4.691 66.793 62.100 0.004 0.000 1.139 163 T CB -0.141 68.731 68.868 0.006 0.000 0.867 163 T HN -0.021 8.137 8.240 0.001 0.082 0.454 164 L N 1.285 122.509 121.223 0.003 0.000 1.988 164 L HA -0.380 3.962 4.340 0.003 0.000 0.207 164 L C 2.266 179.137 176.870 0.002 0.000 1.071 164 L CA 3.420 58.262 54.840 0.002 0.000 0.744 164 L CB -0.660 41.400 42.059 0.000 0.000 0.893 164 L HN -0.374 7.759 8.230 0.002 0.098 0.433 165 K N -2.003 118.397 120.400 0.001 0.000 2.148 165 K HA -0.365 3.955 4.320 0.000 0.000 0.204 165 K C 2.430 179.030 176.600 0.001 0.000 1.050 165 K CA 3.249 59.537 56.287 0.001 0.000 0.942 165 K CB -0.187 32.312 32.500 -0.000 0.000 0.724 165 K HN -0.011 8.240 8.250 0.000 0.000 0.446 166 N N 0.121 118.822 118.700 0.001 0.000 2.028 166 N HA -0.276 4.465 4.740 0.001 0.000 0.194 166 N C 2.153 177.664 175.510 0.002 0.000 1.050 166 N CA 3.461 56.512 53.050 0.002 0.000 0.848 166 N CB 0.219 38.708 38.487 0.002 0.000 1.038 166 N HN -0.138 8.220 8.380 0.001 0.023 0.423 167 I N -1.734 118.838 120.570 0.003 0.000 2.454 167 I HA -0.292 3.879 4.170 0.003 0.000 0.254 167 I C 1.916 178.035 176.117 0.003 0.000 1.156 167 I CA 1.480 62.782 61.300 0.003 0.000 1.433 167 I CB -1.566 36.436 38.000 0.004 0.000 1.082 167 I HN -0.411 7.801 8.210 0.003 0.000 0.432 168 E N 1.560 121.762 120.200 0.002 0.000 2.106 168 E HA -0.318 4.156 4.350 0.002 -0.123 0.192 168 E C 1.770 178.371 176.600 0.002 0.000 0.984 168 E CA 3.241 59.643 56.400 0.002 0.000 0.806 168 E CB -0.262 29.439 29.700 0.002 0.000 0.750 168 E HN -0.306 7.927 8.360 0.002 0.129 0.458 169 K N -2.917 117.484 120.400 0.001 0.000 2.365 169 K HA -0.090 4.230 4.320 0.001 0.000 0.197 169 K C 1.482 178.083 176.600 0.001 0.000 1.042 169 K CA 2.035 58.323 56.287 0.001 0.000 0.987 169 K CB 0.033 32.533 32.500 0.001 0.000 0.779 169 K HN -0.210 7.938 8.250 0.001 0.103 0.484 170 E N -0.155 120.046 120.200 0.001 0.000 2.012 170 E HA -0.111 4.240 4.350 0.001 0.000 0.192 170 E C 0.995 177.596 176.600 0.001 0.000 0.977 170 E CA 2.520 58.921 56.400 0.001 0.000 0.832 170 E CB 0.821 30.522 29.700 0.002 0.000 0.790 170 E HN -0.381 7.809 8.360 0.002 0.171 0.466 171 C N -2.033 117.268 119.300 0.002 0.000 2.525 171 C HA 0.182 4.643 4.460 0.001 0.000 0.313 171 C C -1.311 173.680 174.990 0.002 0.000 1.311 171 C CA -1.593 57.426 59.018 0.002 0.000 1.725 171 C CB -0.590 27.151 27.740 0.002 0.000 1.926 171 C HN -0.383 7.848 8.230 0.002 0.000 0.595 172 N N -2.640 116.061 118.700 0.002 0.000 2.714 172 N HA -0.423 4.528 4.740 0.002 -0.210 0.253 172 N C -1.497 174.015 175.510 0.002 0.000 1.024 172 N CA 1.311 54.362 53.050 0.002 0.000 0.726 172 N CB -1.837 36.651 38.487 0.002 0.000 0.908 172 N HN -0.415 7.869 8.380 0.002 0.097 0.542 173 A N -3.204 119.618 122.820 0.003 0.000 2.282 173 A HA 0.508 4.959 4.320 0.004 -0.128 0.324 173 A C -0.563 177.023 177.584 0.003 0.000 1.119 173 A CA -1.472 50.568 52.037 0.004 0.000 0.880 173 A CB 3.066 22.069 19.000 0.004 0.000 1.294 173 A HN -0.960 7.191 8.150 0.003 0.000 0.493 174 K N -0.821 119.582 120.400 0.004 0.000 2.604 174 K HA 0.324 4.645 4.320 0.002 0.000 0.247 174 K C -1.506 175.096 176.600 0.004 0.000 0.956 174 K CA -1.169 55.120 56.287 0.003 0.000 0.896 174 K CB 1.987 34.489 32.500 0.003 0.000 1.131 174 K HN 0.134 8.361 8.250 0.005 0.026 0.440 175 I N 4.375 124.946 120.570 0.002 0.000 2.371 175 I HA 0.092 4.368 4.170 0.003 -0.105 0.290 175 I C 0.131 176.245 176.117 -0.004 0.000 1.028 175 I CA -0.941 60.359 61.300 0.001 0.000 1.345 175 I CB -0.323 37.678 38.000 0.002 0.000 1.407 175 I HN 0.541 8.752 8.210 0.002 0.000 0.501 176 M N 7.274 126.869 119.600 -0.010 0.000 2.284 176 M HA 0.218 4.687 4.480 -0.020 0.000 0.229 176 M C -2.027 174.246 176.300 -0.045 0.000 0.984 176 M CA -0.641 54.647 55.300 -0.021 0.000 1.016 176 M CB 2.917 35.507 32.600 -0.017 0.000 2.379 176 M HN 0.139 8.425 8.290 -0.006 0.000 0.459 177 I N 4.093 124.632 120.570 -0.053 0.000 2.471 177 I HA -0.091 4.145 4.170 -0.116 -0.136 0.286 177 I C -0.428 175.603 176.117 -0.142 0.000 1.079 177 I CA 0.540 61.783 61.300 -0.094 0.000 1.398 177 I CB 0.051 38.019 38.000 -0.054 0.000 1.403 177 I HN 0.201 8.390 8.210 -0.035 0.000 0.530 178 R N 7.289 127.615 120.500 -0.289 0.000 2.599 178 R HA 0.293 4.538 4.340 -0.159 0.000 0.295 178 R C -1.001 175.090 176.300 -0.347 0.000 0.963 178 R CA -1.324 54.600 56.100 -0.293 0.000 0.883 178 R CB 3.294 33.427 30.300 -0.278 0.000 1.171 178 R HN 0.687 8.705 8.270 -0.419 0.000 0.450 179 G N 1.922 110.639 108.800 -0.139 0.000 2.278 179 G HA2 -0.213 3.857 3.960 0.000 0.000 0.265 179 G HA3 -0.213 3.718 3.960 -0.049 0.000 0.265 179 G C -1.193 173.700 174.900 -0.012 0.000 1.329 179 G CA -0.477 44.594 45.100 -0.048 0.000 1.017 179 G HN -0.018 8.215 8.290 -0.095 0.000 0.472 180 K N 3.076 123.486 120.400 0.017 0.000 1.978 180 K HA -0.206 4.125 4.320 0.018 0.000 0.221 180 K C 1.143 177.752 176.600 0.015 0.000 1.036 180 K CA 2.217 58.517 56.287 0.022 0.000 0.996 180 K CB 0.483 33.005 32.500 0.037 0.000 0.755 180 K HN -0.316 7.954 8.250 0.034 0.000 0.445 181 G N -3.082 105.735 108.800 0.027 0.000 2.865 181 G HA2 -0.005 3.964 3.960 0.014 0.000 0.292 181 G HA3 -0.005 4.337 3.960 0.035 -0.361 0.292 181 G C -1.061 173.848 174.900 0.014 0.000 0.800 181 G CA 0.429 45.543 45.100 0.023 0.000 1.838 181 G HN 0.254 8.568 8.290 0.041 0.000 0.535 182 S N 4.050 119.747 115.700 -0.005 0.000 3.171 182 S HA 0.116 4.580 4.470 -0.010 0.000 0.258 182 S C 0.492 175.082 174.600 -0.017 0.000 1.083 182 S CA 1.027 59.216 58.200 -0.019 0.000 0.801 182 S CB 2.728 65.897 63.200 -0.051 0.000 0.831 182 S HN -0.270 8.014 8.310 -0.005 0.024 0.462 183 V N -2.344 117.561 119.914 -0.016 0.000 2.933 183 V HA 0.307 4.419 4.120 -0.013 0.000 0.374 183 V C -1.075 175.014 176.094 -0.008 0.000 1.321 183 V CA -1.238 61.054 62.300 -0.013 0.000 1.290 183 V CB 0.037 31.851 31.823 -0.014 0.000 1.346 183 V HN -0.488 7.693 8.190 -0.015 0.000 0.560 184 K N -1.787 118.609 120.400 -0.006 0.000 3.078 184 K HA -0.346 3.971 4.320 -0.004 0.000 0.261 184 K C -0.274 176.324 176.600 -0.004 0.000 0.947 184 K CA 1.151 57.435 56.287 -0.005 0.000 0.702 184 K CB -1.648 30.848 32.500 -0.007 0.000 1.318 184 K HN -0.127 8.046 8.250 -0.006 0.073 0.473 185 E N -3.754 116.444 120.200 -0.003 0.000 2.476 185 E HA 0.064 4.413 4.350 -0.002 0.000 0.199 185 E C -0.243 176.357 176.600 0.001 0.000 1.021 185 E CA 0.456 56.855 56.400 -0.001 0.000 0.907 185 E CB 0.795 30.494 29.700 -0.002 0.000 0.974 185 E HN 0.215 8.566 8.360 -0.003 0.007 0.489 186 G N -3.914 104.887 108.800 0.002 0.000 3.815 186 G HA2 0.010 3.972 3.960 0.004 0.000 0.265 186 G HA3 0.010 3.974 3.960 0.007 0.000 0.265 186 G C -0.767 174.136 174.900 0.004 0.000 1.026 186 G CA -0.111 44.992 45.100 0.004 0.000 0.868 186 G HN 0.098 8.339 8.290 0.002 0.049 0.476 187 K N -0.800 119.601 120.400 0.001 0.000 2.642 187 K HA 0.277 4.597 4.320 0.000 0.000 0.273 187 K C -0.938 175.660 176.600 -0.003 0.000 1.029 187 K CA -1.092 55.194 56.287 -0.001 0.000 1.071 187 K CB 1.675 34.172 32.500 -0.004 0.000 1.451 187 K HN -0.475 7.775 8.250 0.000 0.000 0.559 188 V N -3.020 116.890 119.914 -0.006 0.000 3.406 188 V HA 0.171 4.289 4.120 -0.005 0.000 0.305 188 V C 1.791 177.880 176.094 -0.007 0.000 1.136 188 V CA -0.837 61.459 62.300 -0.006 0.000 1.011 188 V CB 0.633 32.452 31.823 -0.008 0.000 1.221 188 V HN -0.064 8.121 8.190 -0.008 0.000 0.454 189 G N 0.425 109.221 108.800 -0.007 0.000 3.909 189 G HA2 -0.324 3.631 3.960 -0.007 0.000 0.218 189 G HA3 -0.324 3.631 3.960 -0.008 0.000 0.218 189 G C -0.321 174.576 174.900 -0.006 0.000 1.404 189 G CA 0.251 45.347 45.100 -0.007 0.000 0.905 189 G HN 0.370 8.657 8.290 -0.006 0.000 0.589 190 R N 2.105 122.602 120.500 -0.005 0.000 2.527 190 R HA 0.141 4.479 4.340 -0.004 0.000 0.236 190 R C -0.547 175.751 176.300 -0.003 0.000 1.257 190 R CA -0.538 55.559 56.100 -0.004 0.000 1.088 190 R CB 0.904 31.201 30.300 -0.004 0.000 1.396 190 R HN -0.166 8.035 8.270 -0.006 0.066 0.571 191 K N 0.031 120.429 120.400 -0.003 0.000 2.154 191 K HA -0.044 4.275 4.320 -0.002 0.000 0.264 191 K C -0.646 175.953 176.600 -0.002 0.000 1.008 191 K CA -0.054 56.231 56.287 -0.002 0.000 0.937 191 K CB 0.700 33.199 32.500 -0.002 0.000 1.002 191 K HN 0.106 8.354 8.250 -0.003 0.000 0.469 192 D N -0.096 120.303 120.400 -0.001 0.000 2.340 192 D HA -0.006 4.634 4.640 -0.000 0.000 0.251 192 D C 0.210 176.510 176.300 0.000 0.000 1.080 192 D CA -0.573 53.427 54.000 -0.000 0.000 0.971 192 D CB 0.684 41.484 40.800 0.000 0.000 1.137 192 D HN -0.107 8.263 8.370 -0.001 0.000 0.475 193 G N -1.031 107.770 108.800 0.001 0.000 2.781 193 G HA2 -0.245 3.716 3.960 0.002 0.000 0.468 193 G HA3 -0.245 3.715 3.960 0.001 0.000 0.468 193 G C -0.973 173.928 174.900 0.001 0.000 1.186 193 G CA -0.705 44.396 45.100 0.001 0.000 1.220 193 G HN -0.006 8.284 8.290 0.001 0.000 0.564 194 Q N 0.308 120.109 119.800 0.002 0.000 2.247 194 Q HA -0.150 4.192 4.340 0.003 0.000 0.288 194 Q C 0.256 176.258 176.000 0.002 0.000 1.079 194 Q CA 0.815 56.620 55.803 0.003 0.000 0.932 194 Q CB 0.633 29.373 28.738 0.004 0.000 1.133 194 Q HN 0.057 8.329 8.270 0.003 0.000 0.377 195 M N 4.588 124.189 119.600 0.002 0.000 2.669 195 M HA 0.028 4.509 4.480 0.002 0.000 0.248 195 M C -1.671 174.630 176.300 0.002 0.000 1.382 195 M CA 1.173 56.474 55.300 0.001 0.000 1.158 195 M CB 0.658 33.258 32.600 0.000 0.000 1.371 195 M HN 0.365 8.656 8.290 0.001 0.000 0.540 196 L N -1.522 119.702 121.223 0.001 0.000 2.325 196 L HA 0.539 4.880 4.340 0.002 0.000 0.278 196 L C -2.083 174.789 176.870 0.004 0.000 1.023 196 L CA -2.942 51.899 54.840 0.002 0.000 0.811 196 L CB -0.767 41.291 42.059 -0.002 0.000 1.249 196 L HN -0.691 7.539 8.230 0.001 0.000 0.431 197 P HA -0.086 4.340 4.420 0.010 0.000 0.262 197 P C -0.445 176.863 177.300 0.013 0.000 1.182 197 P CA 0.007 63.113 63.100 0.010 0.000 0.761 197 P CB 0.777 32.484 31.700 0.012 0.000 0.795 198 G N 2.881 111.690 108.800 0.015 0.000 4.828 198 G HA2 0.284 4.257 3.960 0.021 0.000 0.294 198 G HA3 0.284 4.254 3.960 0.017 0.000 0.294 198 G C -0.724 174.190 174.900 0.023 0.000 1.288 198 G CA 0.009 45.120 45.100 0.019 0.000 0.987 198 G HN 0.036 8.334 8.290 0.014 0.000 0.587 199 E N -1.000 119.215 120.200 0.024 0.000 2.639 199 E HA 0.180 4.545 4.350 0.025 0.000 0.225 199 E C -0.861 175.756 176.600 0.028 0.000 0.921 199 E CA 0.074 56.489 56.400 0.024 0.000 1.184 199 E CB 0.983 30.694 29.700 0.018 0.000 1.160 199 E HN -0.005 8.369 8.360 0.024 0.000 0.547 200 D N -0.089 120.332 120.400 0.035 0.000 2.999 200 D HA 0.056 4.715 4.640 0.032 0.000 0.273 200 D C -0.289 176.051 176.300 0.066 0.000 1.485 200 D CA 0.641 54.666 54.000 0.041 0.000 1.101 200 D CB 0.578 41.401 40.800 0.039 0.000 1.109 200 D HN -0.282 8.109 8.370 0.035 0.000 0.368 201 E N 1.182 121.439 120.200 0.096 0.000 2.415 201 E HA 0.064 4.558 4.350 0.240 0.000 0.260 201 E C -0.901 175.798 176.600 0.164 0.000 1.016 201 E CA -0.509 56.008 56.400 0.194 0.000 0.924 201 E CB 0.285 30.099 29.700 0.190 0.000 0.961 201 E HN 0.081 8.486 8.360 0.076 0.000 0.459 202 P HA -0.131 4.344 4.420 0.091 0.000 0.208 202 P C -1.693 175.700 177.300 0.155 0.000 1.203 202 P CA 0.670 63.852 63.100 0.137 0.000 0.920 202 P CB 0.729 32.487 31.700 0.098 0.000 0.769 203 L N -4.036 117.338 121.223 0.252 0.000 3.390 203 L HA 0.238 4.613 4.340 0.058 0.000 0.223 203 L C -3.001 173.983 176.870 0.190 0.000 0.985 203 L CA 0.513 55.441 54.840 0.148 0.000 1.289 203 L CB -0.060 42.064 42.059 0.109 0.000 1.682 203 L HN -0.205 8.273 8.230 0.413 0.000 0.675 204 H N -0.565 118.512 119.070 0.012 0.000 2.961 204 H HA 0.857 5.574 4.556 -0.007 -0.165 0.371 204 H C -2.589 172.744 175.328 0.009 0.000 1.190 204 H CA -2.273 53.776 56.048 0.002 0.000 1.138 204 H CB 3.490 33.248 29.762 -0.006 0.000 1.816 204 H HN 0.088 8.175 8.280 -0.322 0.000 0.551 205 A N 0.658 123.501 122.820 0.039 0.000 2.444 205 A HA 0.275 4.556 4.320 -0.066 0.000 0.332 205 A C -1.305 176.297 177.584 0.029 0.000 1.430 205 A CA -1.816 50.217 52.037 -0.007 0.000 0.975 205 A CB 0.286 19.293 19.000 0.011 0.000 1.147 205 A HN 0.169 8.375 8.150 0.094 0.000 0.524 206 L N 5.098 126.330 121.223 0.016 0.000 2.500 206 L HA -0.052 4.343 4.340 0.092 0.000 0.272 206 L C -1.196 175.690 176.870 0.026 0.000 1.149 206 L CA 0.754 55.626 54.840 0.053 0.000 0.897 206 L CB 0.373 42.464 42.059 0.052 0.000 1.178 206 L HN 0.005 8.203 8.230 -0.054 0.000 0.473 207 V N 6.115 126.046 119.914 0.029 0.000 2.378 207 V HA 0.730 5.158 4.120 0.012 -0.300 0.288 207 V C 0.213 176.317 176.094 0.016 0.000 1.016 207 V CA -2.251 60.059 62.300 0.017 0.000 0.840 207 V CB 0.659 32.490 31.823 0.015 0.000 0.994 207 V HN -0.107 7.992 8.190 0.038 0.114 0.431 208 T N 7.320 121.881 114.554 0.012 0.000 2.897 208 T HA 0.876 5.394 4.350 0.012 -0.161 0.278 208 T C -0.923 173.781 174.700 0.007 0.000 0.981 208 T CA -1.217 60.889 62.100 0.010 0.000 0.973 208 T CB 1.683 70.557 68.868 0.010 0.000 1.092 208 T HN 0.560 8.706 8.240 0.010 0.101 0.543 209 A N -1.261 121.562 122.820 0.006 0.000 2.799 209 A HA 0.278 4.727 4.320 0.004 -0.126 0.308 209 A C -1.698 175.888 177.584 0.004 0.000 1.108 209 A CA -0.500 51.539 52.037 0.005 0.000 0.600 209 A CB 1.170 20.173 19.000 0.004 0.000 1.452 209 A HN 0.194 8.348 8.150 0.007 0.000 0.617 210 N N -1.677 117.025 118.700 0.003 0.000 2.545 210 N HA 0.195 5.079 4.740 0.003 -0.143 0.190 210 N C -0.377 175.134 175.510 0.002 0.000 1.043 210 N CA 1.130 54.181 53.050 0.002 0.000 0.879 210 N CB 2.142 40.630 38.487 0.002 0.000 1.210 210 N HN 0.268 8.650 8.380 0.003 0.000 0.437 211 T N -2.280 112.276 114.554 0.002 0.000 2.907 211 T HA 0.175 4.525 4.350 0.001 0.000 0.292 211 T C 0.006 174.707 174.700 0.001 0.000 1.043 211 T CA -2.247 59.853 62.100 0.001 0.000 1.003 211 T CB 2.493 71.362 68.868 0.001 0.000 1.084 211 T HN -0.680 7.561 8.240 0.002 0.000 0.483 212 M N 6.410 126.011 119.600 0.001 0.000 2.279 212 M HA -0.309 4.172 4.480 0.001 0.000 0.264 212 M C 1.287 177.587 176.300 0.000 0.000 1.062 212 M CA 3.709 59.009 55.300 0.001 0.000 1.099 212 M CB 0.059 32.659 32.600 -0.000 0.000 1.394 212 M HN 0.675 8.965 8.290 0.001 0.000 0.426 213 E N 0.017 120.217 120.200 0.000 0.000 2.028 213 E HA -0.378 3.972 4.350 -0.001 0.000 0.191 213 E C 1.269 177.869 176.600 0.000 0.000 0.988 213 E CA 3.910 60.309 56.400 -0.000 0.000 0.799 213 E CB -0.381 29.319 29.700 -0.000 0.000 0.755 213 E HN -0.401 7.932 8.360 0.000 0.028 0.447 214 N N -1.444 117.257 118.700 0.001 0.000 2.043 214 N HA -0.282 4.459 4.740 0.001 0.000 0.193 214 N C 2.356 177.867 175.510 0.002 0.000 1.037 214 N CA 2.820 55.871 53.050 0.001 0.000 0.851 214 N CB -0.706 37.782 38.487 0.001 0.000 1.027 214 N HN -0.109 8.272 8.380 0.001 0.000 0.422 215 V N 0.807 120.722 119.914 0.002 0.000 2.594 215 V HA -0.458 3.665 4.120 0.004 0.000 0.253 215 V C 1.176 177.272 176.094 0.002 0.000 1.069 215 V CA 3.277 65.579 62.300 0.003 0.000 1.082 215 V CB -0.136 31.690 31.823 0.004 0.000 0.680 215 V HN -0.308 7.884 8.190 0.002 0.000 0.469 216 K N -0.014 120.386 120.400 0.001 0.000 1.973 216 K HA -0.370 3.949 4.320 -0.001 0.000 0.212 216 K C 1.997 178.596 176.600 -0.001 0.000 1.047 216 K CA 3.886 60.173 56.287 -0.001 0.000 0.937 216 K CB -0.235 32.264 32.500 -0.001 0.000 0.721 216 K HN -0.331 7.780 8.250 0.001 0.140 0.440 217 K N -2.946 117.454 120.400 -0.000 0.000 2.103 217 K HA -0.257 4.062 4.320 -0.001 0.000 0.207 217 K C 2.316 178.916 176.600 0.000 0.000 1.048 217 K CA 2.946 59.233 56.287 -0.000 0.000 0.930 217 K CB -0.550 31.950 32.500 -0.000 0.000 0.716 217 K HN -0.653 7.597 8.250 -0.000 0.000 0.444 218 A N 0.608 123.429 122.820 0.001 0.000 1.877 218 A HA -0.217 4.104 4.320 0.002 0.000 0.216 218 A C 2.125 179.711 177.584 0.003 0.000 1.186 218 A CA 2.864 54.902 52.037 0.002 0.000 0.620 218 A CB -0.687 18.315 19.000 0.003 0.000 0.822 218 A HN -0.361 7.774 8.150 0.001 0.015 0.443 219 V N -0.980 118.935 119.914 0.002 0.000 2.515 219 V HA -0.439 3.683 4.120 0.004 0.000 0.250 219 V C 1.515 177.608 176.094 -0.002 0.000 1.058 219 V CA 2.831 65.132 62.300 0.001 0.000 1.064 219 V CB -0.923 30.900 31.823 0.001 0.000 0.675 219 V HN 0.072 8.159 8.190 0.002 0.105 0.461 220 E N -0.007 120.192 120.200 -0.002 0.000 2.023 220 E HA -0.488 3.858 4.350 -0.007 0.000 0.196 220 E C 2.327 178.925 176.600 -0.003 0.000 1.003 220 E CA 3.693 60.090 56.400 -0.004 0.000 0.809 220 E CB -0.255 29.443 29.700 -0.003 0.000 0.755 220 E HN -0.243 7.989 8.360 -0.001 0.127 0.449 221 Q N -2.277 117.523 119.800 -0.001 0.000 2.096 221 Q HA -0.286 4.054 4.340 0.001 0.000 0.204 221 Q C 2.915 178.917 176.000 0.003 0.000 0.982 221 Q CA 2.498 58.302 55.803 0.001 0.000 0.850 221 Q CB -0.326 28.414 28.738 0.003 0.000 0.901 221 Q HN -0.651 7.619 8.270 -0.000 0.000 0.422 222 I N -0.602 119.970 120.570 0.003 0.000 2.248 222 I HA -0.523 3.654 4.170 0.012 0.000 0.248 222 I C 2.076 178.193 176.117 0.001 0.000 1.107 222 I CA 3.684 64.988 61.300 0.006 0.000 1.373 222 I CB -0.568 37.436 38.000 0.007 0.000 1.055 222 I HN -0.453 7.758 8.210 0.003 0.000 0.418 223 R N -1.968 118.527 120.500 -0.008 0.000 2.092 223 R HA -0.325 3.995 4.340 -0.033 0.000 0.231 223 R C 2.256 178.545 176.300 -0.018 0.000 1.119 223 R CA 1.998 58.085 56.100 -0.022 0.000 0.970 223 R CB -0.864 29.422 30.300 -0.024 0.000 0.864 223 R HN -0.025 8.121 8.270 -0.006 0.120 0.440 224 N N -2.185 116.510 118.700 -0.007 0.000 2.348 224 N HA -0.222 4.514 4.740 -0.006 0.000 0.185 224 N C 0.951 176.466 175.510 0.008 0.000 1.019 224 N CA 2.761 55.810 53.050 -0.002 0.000 0.880 224 N CB -0.445 38.043 38.487 0.001 0.000 0.965 224 N HN -0.637 7.642 8.380 -0.005 0.097 0.437 225 I N -4.019 116.561 120.570 0.016 0.000 2.429 225 I HA -0.179 4.015 4.170 0.039 0.000 0.247 225 I C 0.714 176.876 176.117 0.075 0.000 1.099 225 I CA 0.847 62.172 61.300 0.040 0.000 1.422 225 I CB -0.342 37.683 38.000 0.041 0.000 1.112 225 I HN -0.841 7.201 8.210 0.010 0.174 0.430 226 L N 0.390 121.634 121.223 0.035 0.000 2.062 226 L HA -0.220 4.217 4.340 0.162 0.000 0.202 226 L C 2.084 178.861 176.870 -0.156 0.000 1.079 226 L CA 3.205 58.029 54.840 -0.026 0.000 0.755 226 L CB -0.315 41.676 42.059 -0.113 0.000 0.913 226 L HN -0.162 8.074 8.230 0.010 0.000 0.445 227 K N -2.206 118.112 120.400 -0.136 0.000 2.127 227 K HA -0.421 3.783 4.320 -0.194 0.000 0.212 227 K C 2.317 178.852 176.600 -0.109 0.000 1.050 227 K CA 2.805 59.009 56.287 -0.138 0.000 0.929 227 K CB -0.236 32.218 32.500 -0.077 0.000 0.715 227 K HN -0.264 7.926 8.250 -0.099 0.000 0.457 228 Q N -5.001 114.774 119.800 -0.042 0.000 2.165 228 Q HA 0.013 4.347 4.340 -0.010 0.000 0.197 228 Q C 1.157 177.189 176.000 0.053 0.000 0.952 228 Q CA 0.743 56.546 55.803 -0.000 0.000 0.848 228 Q CB 1.233 29.980 28.738 0.015 0.000 0.931 228 Q HN -0.406 7.837 8.270 -0.027 0.010 0.470 229 G N -0.196 108.682 108.800 0.130 0.000 2.672 229 G HA2 -0.446 3.828 3.960 0.298 0.000 0.324 229 G HA3 -0.446 3.973 3.960 0.766 0.000 0.324 229 G C -0.244 174.732 174.900 0.126 0.000 1.286 229 G CA 1.669 46.956 45.100 0.312 0.000 1.004 229 G HN 0.038 8.222 8.290 0.090 0.161 0.548 230 I N -3.241 117.388 120.570 0.098 0.000 3.956 230 I HA 0.262 4.597 4.170 0.021 -0.152 0.333 230 I C -0.680 175.496 176.117 0.098 0.000 1.302 230 I CA -1.073 60.252 61.300 0.041 0.000 1.122 230 I CB -0.571 37.413 38.000 -0.027 0.000 1.013 230 I HN 0.051 8.365 8.210 0.174 0.000 0.405 231 E N -0.875 119.407 120.200 0.137 0.000 3.646 231 E HA 0.198 4.622 4.350 0.124 0.000 0.211 231 E C -0.839 175.815 176.600 0.091 0.000 1.034 231 E CA -1.734 54.755 56.400 0.148 0.000 1.341 231 E CB 0.519 30.391 29.700 0.287 0.000 1.202 231 E HN -0.584 7.797 8.360 0.138 0.062 0.447 232 T N 0.130 114.721 114.554 0.062 0.000 2.898 232 T HA -0.152 4.209 4.350 0.028 0.005 0.331 232 T C -0.566 174.156 174.700 0.036 0.000 1.085 232 T CA -0.576 61.547 62.100 0.038 0.000 1.129 232 T CB -0.130 68.756 68.868 0.030 0.000 1.054 232 T HN -0.307 7.906 8.240 0.063 0.066 0.540 233 P HA 0.010 4.447 4.420 0.028 0.000 0.280 233 P C 0.630 177.943 177.300 0.022 0.000 1.278 233 P CA -0.312 62.801 63.100 0.022 0.000 0.787 233 P CB 0.611 32.318 31.700 0.012 0.000 1.163 234 E N -1.881 118.330 120.200 0.019 0.000 2.268 234 E HA -0.282 4.080 4.350 0.019 0.000 0.195 234 E C 0.690 177.298 176.600 0.013 0.000 0.995 234 E CA 2.266 58.676 56.400 0.017 0.000 0.836 234 E CB -0.434 29.275 29.700 0.015 0.000 0.763 234 E HN 0.292 8.663 8.360 0.018 0.000 0.491 235 D N -2.232 118.175 120.400 0.011 0.000 2.158 235 D HA -0.210 4.434 4.640 0.008 0.000 0.197 235 D C 0.486 176.792 176.300 0.010 0.000 0.995 235 D CA 2.244 56.249 54.000 0.009 0.000 0.846 235 D CB 0.012 40.816 40.800 0.007 0.000 0.941 235 D HN 0.177 8.514 8.370 0.011 0.040 0.456 236 Q N -4.416 115.392 119.800 0.012 0.000 2.164 236 Q HA 0.030 4.377 4.340 0.011 0.000 0.165 236 Q C 0.794 176.803 176.000 0.016 0.000 0.570 236 Q CA 0.263 56.074 55.803 0.013 0.000 0.759 236 Q CB 2.278 31.024 28.738 0.013 0.000 1.059 236 Q HN -0.640 7.621 8.270 0.014 0.018 0.464 237 N N -0.561 118.151 118.700 0.020 0.000 1.904 237 N HA -0.425 4.333 4.740 0.030 0.000 0.217 237 N C 0.652 176.174 175.510 0.021 0.000 1.020 237 N CA 3.042 56.106 53.050 0.024 0.000 3.606 237 N CB -1.930 36.571 38.487 0.024 0.000 0.733 237 N HN 0.577 8.969 8.380 0.020 0.000 0.351 238 D N 1.606 122.016 120.400 0.016 0.000 2.183 238 D HA -0.107 4.541 4.640 0.014 0.000 0.203 238 D C 1.186 177.493 176.300 0.012 0.000 0.969 238 D CA 2.793 56.801 54.000 0.013 0.000 0.842 238 D CB 0.087 40.894 40.800 0.010 0.000 0.957 238 D HN 0.240 8.514 8.370 0.015 0.104 0.484 239 L N -3.791 117.439 121.223 0.012 0.000 2.688 239 L HA 0.147 4.492 4.340 0.008 0.000 0.234 239 L C 0.922 177.800 176.870 0.012 0.000 1.192 239 L CA -0.521 54.325 54.840 0.010 0.000 0.984 239 L CB -1.226 40.838 42.059 0.009 0.000 1.232 239 L HN -0.188 8.031 8.230 0.013 0.018 0.465 240 R N -0.043 120.466 120.500 0.016 0.000 2.152 240 R HA -0.227 4.127 4.340 0.024 0.000 0.232 240 R C 0.862 177.169 176.300 0.012 0.000 1.117 240 R CA 2.888 59.000 56.100 0.021 0.000 0.981 240 R CB -0.435 29.883 30.300 0.030 0.000 0.870 240 R HN -0.492 7.587 8.270 0.017 0.201 0.451 241 K N -1.850 118.554 120.400 0.007 0.000 2.404 241 K HA 0.001 4.317 4.320 -0.006 0.000 0.194 241 K C 1.702 178.301 176.600 -0.002 0.000 1.023 241 K CA 0.960 57.247 56.287 -0.001 0.000 1.094 241 K CB -0.213 32.286 32.500 -0.001 0.000 0.841 241 K HN -0.344 7.884 8.250 0.009 0.028 0.523 242 M N 0.710 120.311 119.600 0.002 0.000 2.213 242 M HA -0.276 4.205 4.480 0.000 0.000 0.263 242 M C 0.766 177.066 176.300 0.000 0.000 1.062 242 M CA 2.341 57.642 55.300 0.002 0.000 1.105 242 M CB -0.391 32.211 32.600 0.004 0.000 1.385 242 M HN -0.353 7.723 8.290 0.005 0.218 0.417 243 Q N -3.305 116.495 119.800 0.000 0.000 2.364 243 Q HA -0.245 4.097 4.340 0.003 0.000 0.209 243 Q C 1.801 177.795 176.000 -0.009 0.000 0.977 243 Q CA 2.537 58.340 55.803 -0.001 0.000 0.885 243 Q CB -0.781 27.958 28.738 0.002 0.000 0.941 243 Q HN 0.002 8.250 8.270 0.002 0.024 0.464 244 L N -4.268 116.948 121.223 -0.012 0.000 2.590 244 L HA 0.074 4.404 4.340 -0.018 0.000 0.227 244 L C 0.846 177.710 176.870 -0.010 0.000 1.099 244 L CA 0.599 55.429 54.840 -0.016 0.000 0.872 244 L CB 0.200 42.247 42.059 -0.020 0.000 1.088 244 L HN -0.191 7.836 8.230 -0.010 0.196 0.479 245 R N 0.768 121.264 120.500 -0.006 0.000 2.127 245 R HA -0.204 4.133 4.340 -0.005 0.000 0.217 245 R C 1.738 178.036 176.300 -0.004 0.000 1.074 245 R CA 2.728 58.825 56.100 -0.004 0.000 0.991 245 R CB -0.175 30.124 30.300 -0.002 0.000 0.895 245 R HN 0.258 8.310 8.270 -0.005 0.215 0.450 246 E N -1.079 119.119 120.200 -0.003 0.000 2.085 246 E HA -0.309 4.040 4.350 -0.001 0.000 0.194 246 E C 1.415 178.013 176.600 -0.003 0.000 0.994 246 E CA 2.910 59.309 56.400 -0.002 0.000 0.801 246 E CB -0.835 28.864 29.700 -0.001 0.000 0.743 246 E HN -0.502 7.857 8.360 -0.003 0.000 0.453 247 L N -4.022 117.198 121.223 -0.005 0.000 2.127 247 L HA 0.020 4.357 4.340 -0.005 0.000 0.203 247 L C 1.140 178.006 176.870 -0.006 0.000 1.080 247 L CA 2.231 57.068 54.840 -0.006 0.000 0.768 247 L CB 0.245 42.299 42.059 -0.009 0.000 0.924 247 L HN -0.718 7.499 8.230 -0.006 0.010 0.444 248 A N 0.542 123.358 122.820 -0.007 0.000 1.834 248 A HA -0.274 4.042 4.320 -0.007 0.000 0.216 248 A C 2.230 179.811 177.584 -0.004 0.000 1.203 248 A CA 2.668 54.701 52.037 -0.006 0.000 0.621 248 A CB -0.921 18.075 19.000 -0.006 0.000 0.841 248 A HN -0.105 7.982 8.150 -0.007 0.059 0.446 249 R N -1.625 118.873 120.500 -0.004 0.000 2.261 249 R HA -0.278 4.061 4.340 -0.003 0.000 0.236 249 R C 2.136 178.434 176.300 -0.002 0.000 1.141 249 R CA 2.466 58.564 56.100 -0.003 0.000 1.001 249 R CB -0.348 29.951 30.300 -0.002 0.000 0.866 249 R HN -0.198 7.971 8.270 -0.004 0.099 0.468 250 L N -2.016 119.205 121.223 -0.003 0.000 2.068 250 L HA -0.111 4.227 4.340 -0.002 0.000 0.204 250 L C 1.036 177.904 176.870 -0.003 0.000 1.076 250 L CA 2.231 57.070 54.840 -0.003 0.000 0.753 250 L CB 0.569 42.627 42.059 -0.003 0.000 0.910 250 L HN -0.268 7.786 8.230 -0.003 0.174 0.439 251 N N -2.799 115.899 118.700 -0.004 0.000 2.279 251 N HA 0.087 4.825 4.740 -0.003 0.000 0.226 251 N C -0.345 175.163 175.510 -0.004 0.000 1.126 251 N CA -0.060 52.988 53.050 -0.004 0.000 0.846 251 N CB 0.488 38.973 38.487 -0.004 0.000 1.050 251 N HN -0.345 8.032 8.380 -0.004 0.000 0.502 252 G N -1.018 107.780 108.800 -0.003 0.000 2.168 252 G HA2 -0.389 3.570 3.960 -0.003 0.000 0.263 252 G HA3 -0.389 3.570 3.960 -0.003 0.000 0.263 252 G C 0.596 175.494 174.900 -0.004 0.000 0.977 252 G CA 1.133 46.231 45.100 -0.003 0.000 0.659 252 G HN -0.199 8.004 8.290 -0.003 0.085 0.533 253 T N -0.412 114.140 114.554 -0.004 0.000 3.284 253 T HA -0.187 4.160 4.350 -0.005 0.000 0.252 253 T C -0.395 174.302 174.700 -0.005 0.000 1.144 253 T CA 0.091 62.188 62.100 -0.005 0.000 1.021 253 T CB -0.111 68.753 68.868 -0.007 0.000 0.984 253 T HN -0.022 8.092 8.240 -0.004 0.123 0.545 254 L N 1.532 122.753 121.223 -0.004 0.000 2.331 254 L HA 0.123 4.460 4.340 -0.004 0.000 0.278 254 L C -0.140 176.728 176.870 -0.003 0.000 1.106 254 L CA -0.668 54.170 54.840 -0.004 0.000 0.824 254 L CB 0.977 43.035 42.059 -0.003 0.000 1.142 254 L HN -0.547 7.556 8.230 -0.004 0.124 0.443 255 R N 0.000 120.498 120.500 -0.003 0.000 2.786 255 R HA 0.000 4.338 4.340 -0.003 0.000 0.208 255 R CA 0.000 56.098 56.100 -0.003 0.000 0.921 255 R CB 0.000 30.299 30.300 -0.002 0.000 0.687 255 R HN 0.000 8.268 8.270 -0.004 0.000 0.535