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 1m4q_8_A DATA FIRST_RESID 2 DATA SEQUENCE AVSESQLKKM VSKYKYRDLT VRETVNVITL YKDLKPVLDS YVFNDGSSRE DATA SEQUENCE LMNLTGTIPV PYRGNTYNIP ICLWLLDTYP YNPPICFVKP TSSMTIKTGK DATA SEQUENCE HVDANGKIYL PYLHEWKHPQ SDLLGLIQVM IVVFGDEPPV FSRP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 4.321 4.320 0.002 0.000 0.244 2 A C 0.000 177.585 177.584 0.002 0.000 1.274 2 A CA 0.000 52.038 52.037 0.001 0.000 0.836 2 A CB 0.000 19.000 19.000 0.000 0.000 0.831 3 V N 0.723 120.638 119.914 0.002 0.000 3.212 3 V HA 0.297 4.418 4.120 0.002 0.000 0.244 3 V C 0.818 176.913 176.094 0.002 0.000 1.151 3 V CA 1.288 63.589 62.300 0.002 0.000 1.119 3 V CB 1.046 32.870 31.823 0.002 0.000 0.838 3 V HN 0.288 8.479 8.190 0.003 0.000 0.470 4 S N 0.726 116.427 115.700 0.002 0.000 2.461 4 S HA -0.160 4.311 4.470 0.001 0.000 0.228 4 S C 1.162 175.761 174.600 -0.001 0.000 1.005 4 S CA 1.738 59.939 58.200 0.001 0.000 0.942 4 S CB -0.299 62.902 63.200 0.002 0.000 0.776 4 S HN 0.089 8.401 8.310 0.003 0.000 0.514 5 E N 1.200 121.399 120.200 -0.001 0.000 2.097 5 E HA -0.430 3.918 4.350 -0.004 0.000 0.196 5 E C 1.905 178.503 176.600 -0.004 0.000 1.000 5 E CA 3.632 60.030 56.400 -0.003 0.000 0.804 5 E CB -0.226 29.474 29.700 -0.001 0.000 0.740 5 E HN 0.522 8.850 8.360 0.000 0.032 0.454 6 S N -1.655 114.044 115.700 -0.001 0.000 2.370 6 S HA -0.329 4.140 4.470 -0.001 0.000 0.226 6 S C 2.244 176.843 174.600 -0.003 0.000 1.033 6 S CA 3.844 62.043 58.200 -0.001 0.000 1.011 6 S CB -0.346 62.854 63.200 0.001 0.000 0.852 6 S HN -0.145 8.159 8.310 -0.000 0.006 0.457 7 Q N 0.688 120.486 119.800 -0.003 0.000 2.123 7 Q HA -0.192 4.147 4.340 -0.001 0.000 0.199 7 Q C 2.369 178.363 176.000 -0.010 0.000 0.966 7 Q CA 2.880 58.682 55.803 -0.003 0.000 0.845 7 Q CB -0.070 28.668 28.738 -0.001 0.000 0.907 7 Q HN -0.685 7.501 8.270 -0.002 0.083 0.439 8 L N 1.302 122.517 121.223 -0.014 0.000 1.976 8 L HA -0.244 4.079 4.340 -0.028 0.000 0.209 8 L C 1.776 178.621 176.870 -0.041 0.000 1.071 8 L CA 2.872 57.696 54.840 -0.027 0.000 0.746 8 L CB -0.531 41.514 42.059 -0.023 0.000 0.890 8 L HN 0.314 8.460 8.230 -0.010 0.078 0.432 9 K N -2.289 118.093 120.400 -0.029 0.000 2.103 9 K HA -0.471 3.821 4.320 -0.046 0.000 0.207 9 K C 2.160 178.745 176.600 -0.026 0.000 1.048 9 K CA 3.314 59.583 56.287 -0.030 0.000 0.930 9 K CB -0.272 32.222 32.500 -0.011 0.000 0.716 9 K HN -0.111 8.128 8.250 -0.019 0.000 0.444 10 K N -2.700 117.692 120.400 -0.015 0.000 2.217 10 K HA -0.181 4.139 4.320 0.000 0.000 0.202 10 K C 2.418 179.015 176.600 -0.006 0.000 1.051 10 K CA 2.059 58.343 56.287 -0.005 0.000 0.952 10 K CB -0.496 32.005 32.500 0.001 0.000 0.736 10 K HN -0.741 7.412 8.250 -0.013 0.089 0.453 11 M N -1.854 117.736 119.600 -0.018 0.000 2.358 11 M HA -0.317 4.166 4.480 0.006 0.000 0.264 11 M C 0.600 176.886 176.300 -0.022 0.000 1.064 11 M CA 2.902 58.193 55.300 -0.014 0.000 1.093 11 M CB 0.427 33.013 32.600 -0.025 0.000 1.401 11 M HN -0.247 7.885 8.290 -0.024 0.143 0.440 12 V N -4.538 115.339 119.914 -0.062 0.000 3.149 12 V HA 0.054 4.162 4.120 -0.021 0.000 0.217 12 V C 0.701 176.810 176.094 0.026 0.000 1.152 12 V CA 0.022 62.279 62.300 -0.071 0.000 1.286 12 V CB 0.301 31.942 31.823 -0.303 0.000 1.179 12 V HN -0.780 7.225 8.190 -0.067 0.145 0.509 13 S N -0.190 115.521 115.700 0.018 0.000 3.445 13 S HA -0.454 4.036 4.470 0.034 0.000 0.319 13 S C -0.440 174.204 174.600 0.074 0.000 1.209 13 S CA 1.944 60.169 58.200 0.041 0.000 0.934 13 S CB -0.509 62.708 63.200 0.030 0.000 0.999 13 S HN -0.130 8.170 8.310 -0.018 0.000 0.582 14 K N -3.719 116.762 120.400 0.134 0.000 2.614 14 K HA 0.078 4.456 4.320 0.096 0.000 0.192 14 K C -1.530 175.210 176.600 0.232 0.000 1.398 14 K CA 0.171 56.548 56.287 0.149 0.000 1.074 14 K CB 1.339 33.918 32.500 0.132 0.000 1.182 14 K HN -0.247 8.047 8.250 0.160 0.052 0.604 15 Y N -0.188 120.137 120.300 0.041 0.000 2.379 15 Y HA -0.113 4.475 4.550 0.064 0.000 0.337 15 Y C 1.812 177.734 175.900 0.036 0.000 1.238 15 Y CA -0.776 57.360 58.100 0.060 0.000 1.405 15 Y CB 0.655 39.169 38.460 0.090 0.000 1.310 15 Y HN -0.373 8.121 8.280 0.356 0.000 0.569 16 K N 1.908 122.354 120.400 0.077 0.000 2.147 16 K HA -0.243 4.039 4.320 -0.063 0.000 0.205 16 K C -0.524 176.016 176.600 -0.100 0.000 1.049 16 K CA 2.169 58.462 56.287 0.010 0.000 0.936 16 K CB 0.019 32.574 32.500 0.092 0.000 0.722 16 K HN 0.527 8.745 8.250 -0.053 0.000 0.446 17 Y N -3.174 117.203 120.300 0.128 0.000 2.477 17 Y HA 0.188 4.793 4.550 0.092 0.000 0.340 17 Y C -1.173 174.824 175.900 0.163 0.000 0.987 17 Y CA -1.280 56.894 58.100 0.124 0.000 1.127 17 Y CB -0.637 37.886 38.460 0.104 0.000 1.139 17 Y HN -0.456 8.028 8.280 0.380 0.024 0.637 18 R N 2.254 122.892 120.500 0.229 0.000 2.113 18 R HA -0.502 3.943 4.340 0.174 0.000 0.244 18 R C 0.929 177.303 176.300 0.124 0.000 1.142 18 R CA 4.782 60.979 56.100 0.162 0.000 0.953 18 R CB -0.208 30.149 30.300 0.095 0.000 0.860 18 R HN -0.487 7.880 8.270 0.162 0.000 0.438 19 D N -0.144 120.329 120.400 0.121 0.000 2.092 19 D HA -0.227 4.456 4.640 0.072 0.000 0.193 19 D C 2.484 178.861 176.300 0.127 0.000 0.994 19 D CA 3.437 57.499 54.000 0.104 0.000 0.828 19 D CB -0.895 39.963 40.800 0.097 0.000 0.963 19 D HN 0.277 8.714 8.370 0.113 0.001 0.450 20 L N -2.289 119.052 121.223 0.196 0.000 2.275 20 L HA -0.236 4.181 4.340 0.127 0.000 0.215 20 L C 1.951 178.910 176.870 0.148 0.000 1.119 20 L CA 2.788 57.731 54.840 0.172 0.000 0.790 20 L CB -0.116 42.063 42.059 0.199 0.000 0.919 20 L HN -0.119 8.269 8.230 0.263 0.000 0.443 21 T N 1.322 115.982 114.554 0.177 0.000 2.894 21 T HA -0.175 4.271 4.350 0.159 0.000 0.258 21 T C 1.907 176.648 174.700 0.070 0.000 1.043 21 T CA 4.924 67.115 62.100 0.151 0.000 1.141 21 T CB 0.120 69.115 68.868 0.211 0.000 0.873 21 T HN 0.157 8.285 8.240 0.209 0.237 0.449 22 V N 2.828 122.770 119.914 0.047 0.000 2.358 22 V HA -0.559 3.558 4.120 -0.005 0.000 0.246 22 V C 1.276 177.384 176.094 0.025 0.000 1.047 22 V CA 5.055 67.365 62.300 0.017 0.000 1.035 22 V CB -0.340 31.490 31.823 0.012 0.000 0.658 22 V HN 0.679 8.791 8.190 0.068 0.119 0.452 23 R N -0.935 119.589 120.500 0.039 0.000 2.091 23 R HA -0.436 3.916 4.340 0.020 0.000 0.238 23 R C 2.237 178.551 176.300 0.024 0.000 1.136 23 R CA 4.321 60.439 56.100 0.031 0.000 0.959 23 R CB -0.141 30.183 30.300 0.040 0.000 0.856 23 R HN 0.145 8.448 8.270 0.055 0.000 0.437 24 E N -2.016 118.207 120.200 0.039 0.000 2.077 24 E HA -0.310 4.052 4.350 0.021 0.000 0.193 24 E C 2.149 178.764 176.600 0.024 0.000 0.989 24 E CA 3.408 59.829 56.400 0.034 0.000 0.800 24 E CB -0.258 29.477 29.700 0.060 0.000 0.746 24 E HN -0.557 7.836 8.360 0.055 0.000 0.452 25 T N 2.021 116.593 114.554 0.029 0.000 2.643 25 T HA -0.334 4.036 4.350 0.033 0.000 0.264 25 T C 1.994 176.699 174.700 0.008 0.000 1.045 25 T CA 4.741 66.854 62.100 0.022 0.000 1.155 25 T CB -0.435 68.441 68.868 0.013 0.000 0.863 25 T HN -0.212 8.049 8.240 0.035 0.000 0.420 26 V N -0.550 119.365 119.914 0.002 0.000 2.324 26 V HA -0.575 3.544 4.120 -0.003 0.000 0.250 26 V C 1.669 177.749 176.094 -0.024 0.000 1.060 26 V CA 4.325 66.621 62.300 -0.006 0.000 1.042 26 V CB -1.240 30.581 31.823 -0.004 0.000 0.650 26 V HN 0.231 8.424 8.190 0.005 0.000 0.450 27 N N 0.698 119.379 118.700 -0.032 0.000 2.104 27 N HA -0.327 4.373 4.740 -0.065 0.000 0.190 27 N C 2.581 178.014 175.510 -0.128 0.000 1.024 27 N CA 3.655 56.665 53.050 -0.067 0.000 0.853 27 N CB -0.281 38.173 38.487 -0.055 0.000 1.008 27 N HN -0.305 8.058 8.380 -0.017 0.007 0.424 28 V N -0.213 119.639 119.914 -0.103 0.000 2.237 28 V HA -0.440 3.458 4.120 -0.370 0.000 0.245 28 V C 1.634 177.665 176.094 -0.105 0.000 1.046 28 V CA 4.256 66.464 62.300 -0.154 0.000 1.007 28 V CB -0.589 31.252 31.823 0.030 0.000 0.638 28 V HN -0.497 7.572 8.190 -0.049 0.092 0.445 29 I N -3.814 116.759 120.570 0.005 0.000 2.286 29 I HA -0.508 3.730 4.170 0.112 0.000 0.248 29 I C 1.750 177.871 176.117 0.006 0.000 1.115 29 I CA 4.032 65.358 61.300 0.044 0.000 1.392 29 I CB -0.739 37.283 38.000 0.037 0.000 1.065 29 I HN -0.352 7.862 8.210 0.007 0.000 0.418 30 T N 1.041 115.574 114.554 -0.035 0.000 2.915 30 T HA -0.349 3.992 4.350 -0.016 0.000 0.269 30 T C 1.219 175.880 174.700 -0.065 0.000 1.071 30 T CA 3.659 65.736 62.100 -0.039 0.000 1.132 30 T CB 0.040 68.883 68.868 -0.041 0.000 0.878 30 T HN 0.347 8.434 8.240 -0.043 0.127 0.479 31 L N -1.184 119.949 121.223 -0.149 0.000 2.168 31 L HA -0.104 4.160 4.340 -0.127 0.000 0.203 31 L C 0.634 177.425 176.870 -0.132 0.000 1.078 31 L CA 2.031 56.743 54.840 -0.213 0.000 0.780 31 L CB 0.571 42.383 42.059 -0.411 0.000 0.939 31 L HN -0.432 7.551 8.230 -0.186 0.135 0.451 32 Y N -1.970 118.331 120.300 0.002 0.000 2.201 32 Y HA -0.175 4.378 4.550 0.004 0.000 0.292 32 Y C 0.557 176.459 175.900 0.003 0.000 1.119 32 Y CA 1.605 59.708 58.100 0.004 0.000 1.127 32 Y CB 0.341 38.804 38.460 0.006 0.000 1.019 32 Y HN 0.224 8.258 8.280 -0.226 0.110 0.514 33 K N -4.105 116.391 120.400 0.160 0.000 3.500 33 K HA -0.376 4.084 4.320 0.065 -0.101 0.313 33 K C -1.153 175.495 176.600 0.080 0.000 1.338 33 K CA 1.396 57.736 56.287 0.087 0.000 0.963 33 K CB -2.947 29.588 32.500 0.058 0.000 1.267 33 K HN 0.011 8.246 8.250 0.156 0.109 0.448 34 D N -4.111 116.353 120.400 0.105 0.000 2.454 34 D HA 0.079 4.742 4.640 0.039 0.000 0.219 34 D C -0.514 175.813 176.300 0.045 0.000 1.081 34 D CA 0.553 54.586 54.000 0.055 0.000 0.867 34 D CB 1.177 41.994 40.800 0.028 0.000 1.054 34 D HN 0.290 8.694 8.370 0.174 0.071 0.500 35 L N -0.908 120.362 121.223 0.079 0.000 2.454 35 L HA 0.022 4.500 4.340 0.032 -0.119 0.256 35 L C -0.643 176.256 176.870 0.048 0.000 1.136 35 L CA -0.028 54.850 54.840 0.062 0.000 0.804 35 L CB 1.689 43.814 42.059 0.109 0.000 1.181 35 L HN -0.555 7.756 8.230 0.136 0.000 0.469 36 K N -0.254 120.164 120.400 0.030 0.000 2.588 36 K HA 0.383 4.716 4.320 0.022 0.000 0.250 36 K C -2.633 173.972 176.600 0.008 0.000 0.972 36 K CA -2.697 53.600 56.287 0.018 0.000 0.821 36 K CB 2.969 35.474 32.500 0.009 0.000 1.249 36 K HN 0.503 8.768 8.250 0.025 0.000 0.442 37 P HA 0.036 4.590 4.420 -0.002 -0.135 0.266 37 P C -1.507 175.786 177.300 -0.012 0.000 1.215 37 P CA -0.265 62.833 63.100 -0.003 0.000 0.763 37 P CB 0.072 31.769 31.700 -0.004 0.000 0.806 38 V N 5.102 125.002 119.914 -0.025 0.000 2.581 38 V HA 0.306 4.415 4.120 -0.019 0.000 0.303 38 V C -1.802 174.277 176.094 -0.025 0.000 1.041 38 V CA -2.961 59.320 62.300 -0.031 0.000 0.907 38 V CB 3.952 35.741 31.823 -0.056 0.000 0.994 38 V HN 0.879 8.941 8.190 -0.031 0.110 0.442 39 L N 7.397 128.618 121.223 -0.003 0.000 2.328 39 L HA 0.143 4.505 4.340 0.037 0.000 0.280 39 L C -1.342 175.560 176.870 0.054 0.000 1.111 39 L CA -0.801 54.057 54.840 0.030 0.000 0.909 39 L CB -1.031 41.050 42.059 0.036 0.000 1.277 39 L HN 0.297 8.525 8.230 -0.002 0.000 0.433 40 D N 5.643 126.081 120.400 0.064 0.000 2.329 40 D HA 0.096 4.779 4.640 0.072 0.000 0.246 40 D C -1.527 174.953 176.300 0.300 0.000 1.111 40 D CA -0.229 53.838 54.000 0.112 0.000 0.941 40 D CB 2.709 43.440 40.800 -0.115 0.000 1.169 40 D HN -0.417 8.061 8.370 0.053 -0.077 0.441 41 S N -0.101 115.816 115.700 0.361 0.000 2.616 41 S HA 0.418 5.368 4.470 0.450 -0.210 0.276 41 S C -1.889 172.949 174.600 0.396 0.000 1.159 41 S CA -0.191 58.232 58.200 0.371 0.000 1.000 41 S CB 1.520 64.857 63.200 0.229 0.000 1.117 41 S HN -0.065 8.446 8.310 0.335 0.000 0.464 42 Y N 7.110 127.516 120.300 0.177 0.000 2.638 42 Y HA 0.306 4.803 4.550 -0.087 0.000 0.339 42 Y C -2.230 173.373 175.900 -0.495 0.000 1.084 42 Y CA -0.881 57.125 58.100 -0.157 0.000 1.068 42 Y CB 3.834 42.156 38.460 -0.229 0.000 1.294 42 Y HN -0.320 8.269 8.280 0.515 0.000 0.480 43 V N -2.475 116.802 119.914 -1.061 0.000 2.686 43 V HA 0.104 4.160 4.120 -0.410 -0.182 0.295 43 V C -1.542 173.966 176.094 -0.976 0.000 1.057 43 V CA -0.691 61.151 62.300 -0.763 0.000 1.012 43 V CB 0.487 31.953 31.823 -0.596 0.000 1.006 43 V HN 0.170 7.290 8.190 -1.782 0.000 0.477 44 F N 2.365 122.288 119.950 -0.046 0.000 1.793 44 F HA 0.081 4.610 4.527 0.003 0.000 0.236 44 F C 0.353 176.139 175.800 -0.024 0.000 1.208 44 F CA 1.479 59.471 58.000 -0.014 0.000 1.311 44 F CB 0.808 39.805 39.000 -0.005 0.000 1.820 44 F HN -0.240 8.088 8.300 -0.052 -0.060 0.373 45 N N 2.389 121.205 118.700 0.193 0.000 2.429 45 N HA -0.207 4.581 4.740 0.080 0.000 0.298 45 N C -0.790 174.743 175.510 0.038 0.000 1.256 45 N CA 1.377 54.480 53.050 0.088 0.000 1.090 45 N CB -0.647 37.879 38.487 0.065 0.000 1.477 45 N HN -0.066 8.470 8.380 0.260 0.000 0.491 46 D N -1.576 118.842 120.400 0.030 0.000 2.955 46 D HA -0.356 4.288 4.640 0.006 0.000 0.226 46 D C -0.547 175.741 176.300 -0.021 0.000 1.178 46 D CA 0.814 54.817 54.000 0.004 0.000 0.808 46 D CB -1.600 39.201 40.800 0.002 0.000 1.099 46 D HN 0.164 8.552 8.370 0.048 0.011 0.421 47 G N -3.437 105.338 108.800 -0.042 0.000 3.026 47 G HA2 -0.312 3.553 3.960 -0.159 0.000 0.252 47 G HA3 -0.312 3.597 3.960 -0.086 0.000 0.252 47 G C -1.508 173.339 174.900 -0.088 0.000 1.070 47 G CA -0.320 44.721 45.100 -0.097 0.000 1.183 47 G HN -0.589 7.521 8.290 -0.022 0.166 0.571 48 S N 0.700 116.344 115.700 -0.093 0.000 2.653 48 S HA 0.062 4.492 4.470 -0.065 0.000 0.268 48 S C -0.683 173.889 174.600 -0.047 0.000 1.153 48 S CA -0.767 57.401 58.200 -0.053 0.000 1.036 48 S CB 1.658 64.858 63.200 -0.000 0.000 1.103 48 S HN -0.177 8.162 8.310 -0.117 -0.099 0.466 49 S N 4.836 120.493 115.700 -0.072 0.000 2.593 49 S HA -0.284 4.269 4.470 -0.113 -0.151 0.300 49 S C -0.439 174.220 174.600 0.097 0.000 1.267 49 S CA 0.900 59.082 58.200 -0.030 0.000 1.065 49 S CB 0.457 63.649 63.200 -0.012 0.000 0.807 49 S HN 0.339 8.599 8.310 -0.084 0.000 0.499 50 R N 6.081 126.712 120.500 0.220 0.000 2.621 50 R HA 0.237 4.696 4.340 0.199 0.000 0.292 50 R C -1.451 175.035 176.300 0.311 0.000 0.969 50 R CA -1.310 54.963 56.100 0.287 0.000 0.887 50 R CB 3.503 34.051 30.300 0.414 0.000 1.180 50 R HN 0.702 8.998 8.270 0.228 0.111 0.450 51 E N 4.856 125.205 120.200 0.248 0.000 2.328 51 E HA -0.128 4.379 4.350 0.261 0.000 0.265 51 E C -0.992 175.823 176.600 0.359 0.000 1.057 51 E CA 1.436 58.000 56.400 0.273 0.000 0.916 51 E CB -0.166 29.674 29.700 0.233 0.000 0.993 51 E HN 0.250 8.730 8.360 0.201 0.000 0.446 52 L N 5.816 127.290 121.223 0.418 0.000 2.504 52 L HA 0.225 4.881 4.340 0.526 0.000 0.265 52 L C -1.701 175.435 176.870 0.444 0.000 0.975 52 L CA -1.159 53.996 54.840 0.524 0.000 0.864 52 L CB 2.712 45.186 42.059 0.690 0.000 1.212 52 L HN 0.558 9.019 8.230 0.385 0.000 0.416 53 M N 5.065 124.871 119.600 0.344 0.000 2.255 53 M HA 0.213 4.860 4.480 0.104 -0.105 0.336 53 M C -2.230 174.154 176.300 0.139 0.000 1.135 53 M CA -0.492 54.900 55.300 0.155 0.000 1.145 53 M CB 2.058 34.665 32.600 0.012 0.000 1.473 53 M HN -0.262 8.292 8.290 0.441 0.000 0.462 54 N N -0.875 117.827 118.700 0.002 0.000 2.853 54 N HA 0.351 5.141 4.740 0.021 -0.037 0.258 54 N C -2.549 172.932 175.510 -0.049 0.000 1.444 54 N CA -1.057 51.955 53.050 -0.064 0.000 0.837 54 N CB 3.467 41.758 38.487 -0.326 0.000 1.489 54 N HN 0.728 8.994 8.380 -0.017 0.104 0.529 55 L N -2.496 118.703 121.223 -0.040 0.000 2.408 55 L HA 0.405 4.738 4.340 -0.013 0.000 0.268 55 L C -1.547 175.315 176.870 -0.014 0.000 0.986 55 L CA -0.090 54.744 54.840 -0.010 0.000 0.820 55 L CB 3.708 45.785 42.059 0.030 0.000 1.303 55 L HN 0.226 8.427 8.230 -0.050 0.000 0.411 56 T N 1.375 115.924 114.554 -0.009 0.000 2.816 56 T HA 0.945 5.483 4.350 0.003 -0.186 0.299 56 T C -1.624 173.075 174.700 -0.000 0.000 1.230 56 T CA -2.149 59.948 62.100 -0.006 0.000 1.007 56 T CB 2.649 71.506 68.868 -0.020 0.000 1.289 56 T HN -0.128 8.108 8.240 -0.006 0.000 0.508 57 G N 1.139 109.936 108.800 -0.005 0.000 2.347 57 G HA2 -0.024 3.931 3.960 -0.008 0.000 0.321 57 G HA3 -0.024 3.935 3.960 -0.002 0.000 0.321 57 G C -2.699 172.187 174.900 -0.023 0.000 1.412 57 G CA 0.270 45.364 45.100 -0.009 0.000 0.990 57 G HN -0.186 8.102 8.290 -0.004 0.000 0.637 58 T N -0.970 113.570 114.554 -0.023 0.000 2.727 58 T HA 0.360 4.817 4.350 -0.032 -0.126 0.298 58 T C 0.673 175.339 174.700 -0.056 0.000 0.942 58 T CA -1.226 60.855 62.100 -0.031 0.000 0.997 58 T CB 0.238 69.098 68.868 -0.014 0.000 0.917 58 T HN 0.093 8.324 8.240 -0.015 0.000 0.487 59 I N 0.803 121.309 120.570 -0.106 0.000 2.499 59 I HA 0.552 4.618 4.170 -0.174 0.000 0.296 59 I C -2.109 173.947 176.117 -0.102 0.000 0.992 59 I CA -3.854 57.328 61.300 -0.198 0.000 1.297 59 I CB -0.001 37.713 38.000 -0.476 0.000 1.410 59 I HN 0.356 8.510 8.210 -0.094 0.000 0.507 60 P HA -0.037 4.511 4.420 0.018 -0.117 0.270 60 P C -1.085 176.227 177.300 0.020 0.000 1.242 60 P CA -0.364 62.736 63.100 0.001 0.000 0.768 60 P CB -0.662 31.056 31.700 0.030 0.000 0.820 61 V N 4.650 124.604 119.914 0.068 0.000 2.376 61 V HA 0.361 4.526 4.120 0.075 0.000 0.287 61 V C -2.200 173.983 176.094 0.148 0.000 1.015 61 V CA -3.171 59.189 62.300 0.099 0.000 0.834 61 V CB 3.464 35.356 31.823 0.115 0.000 1.001 61 V HN 0.944 9.075 8.190 0.085 0.110 0.428 62 P HA 0.297 5.022 4.420 0.165 -0.205 0.274 62 P C -1.801 175.635 177.300 0.226 0.000 1.231 62 P CA -0.773 62.418 63.100 0.152 0.000 0.790 62 P CB 1.141 32.895 31.700 0.090 0.000 0.951 63 Y N 1.694 122.035 120.300 0.068 0.000 2.712 63 Y HA 0.222 4.966 4.550 0.023 -0.180 0.250 63 Y C -0.936 174.983 175.900 0.032 0.000 1.101 63 Y CA -1.487 56.639 58.100 0.043 0.000 1.118 63 Y CB 1.720 40.207 38.460 0.044 0.000 1.203 63 Y HN -0.038 8.391 8.280 0.250 0.000 0.587 64 R N -0.030 120.442 120.500 -0.046 0.000 3.076 64 R HA -0.278 4.034 4.340 -0.048 0.000 0.261 64 R C -0.385 175.896 176.300 -0.031 0.000 0.930 64 R CA 0.859 56.905 56.100 -0.090 0.000 0.649 64 R CB -2.424 27.751 30.300 -0.209 0.000 1.350 64 R HN 0.493 8.778 8.270 0.026 0.000 0.453 65 G N -2.286 106.535 108.800 0.035 0.000 2.545 65 G HA2 -0.252 3.729 3.960 0.034 0.000 0.195 65 G HA3 -0.252 3.741 3.960 0.054 0.000 0.195 65 G C -1.203 173.754 174.900 0.094 0.000 1.009 65 G CA -0.329 44.804 45.100 0.055 0.000 0.703 65 G HN 0.315 8.631 8.290 0.044 0.000 0.479 66 N N -1.062 117.732 118.700 0.157 0.000 3.278 66 N HA 0.332 5.132 4.740 0.099 0.000 0.307 66 N C -2.485 173.142 175.510 0.195 0.000 1.551 66 N CA -0.427 52.724 53.050 0.170 0.000 0.794 66 N CB 2.508 41.143 38.487 0.246 0.000 1.770 66 N HN -0.346 8.145 8.380 0.185 0.000 0.612 67 T N 0.536 115.186 114.554 0.161 0.000 3.548 67 T HA 0.387 5.093 4.350 0.238 -0.213 0.329 67 T C -1.074 173.687 174.700 0.102 0.000 0.960 67 T CA 0.203 62.400 62.100 0.161 0.000 1.041 67 T CB 1.245 70.161 68.868 0.080 0.000 1.065 67 T HN 0.244 8.529 8.240 0.076 0.000 0.459 68 Y N 5.127 125.436 120.300 0.014 0.000 2.432 68 Y HA 0.170 4.713 4.550 -0.012 0.000 0.322 68 Y C -0.802 175.090 175.900 -0.015 0.000 1.246 68 Y CA -1.393 56.699 58.100 -0.012 0.000 1.268 68 Y CB 2.785 41.221 38.460 -0.040 0.000 1.276 68 Y HN 0.782 9.316 8.280 0.423 0.000 0.499 69 N N 1.790 120.554 118.700 0.107 0.000 2.801 69 N HA 0.104 5.060 4.740 0.027 -0.200 0.235 69 N C -0.911 174.625 175.510 0.043 0.000 1.069 69 N CA -0.448 52.627 53.050 0.043 0.000 0.946 69 N CB -0.017 38.472 38.487 0.002 0.000 1.212 69 N HN 0.339 8.777 8.380 0.097 0.000 0.509 70 I N 5.232 125.823 120.570 0.034 0.000 2.517 70 I HA 0.225 4.393 4.170 -0.004 0.000 0.285 70 I C -2.154 173.952 176.117 -0.017 0.000 1.106 70 I CA -2.869 58.432 61.300 0.002 0.000 1.402 70 I CB 1.865 39.867 38.000 0.004 0.000 1.399 70 I HN -0.196 8.039 8.210 0.042 0.000 0.535 71 P HA 0.283 4.774 4.420 -0.018 -0.082 0.285 71 P C -1.232 176.064 177.300 -0.006 0.000 1.259 71 P CA -0.876 62.213 63.100 -0.019 0.000 0.794 71 P CB 0.624 32.311 31.700 -0.022 0.000 0.940 72 I N -0.198 120.379 120.570 0.011 0.000 3.102 72 I HA 0.207 4.495 4.170 0.073 -0.074 0.310 72 I C -2.184 173.968 176.117 0.057 0.000 1.246 72 I CA -0.857 60.473 61.300 0.050 0.000 0.979 72 I CB 5.092 43.126 38.000 0.057 0.000 1.267 72 I HN -0.044 8.166 8.210 -0.001 0.000 0.451 73 C N 2.062 121.429 119.300 0.112 0.000 2.871 73 C HA 0.874 5.604 4.460 0.032 -0.251 0.378 73 C C -2.323 172.723 174.990 0.093 0.000 1.052 73 C CA -1.618 57.460 59.018 0.101 0.000 1.250 73 C CB 2.400 30.208 27.740 0.114 0.000 1.689 73 C HN 0.171 8.498 8.230 0.162 0.000 0.506 74 L N 0.890 122.088 121.223 -0.041 0.000 2.424 74 L HA 0.678 4.803 4.340 -0.358 0.000 0.258 74 L C -2.285 174.546 176.870 -0.067 0.000 0.995 74 L CA -1.547 53.206 54.840 -0.145 0.000 0.821 74 L CB 3.328 45.317 42.059 -0.117 0.000 1.383 74 L HN 0.362 8.570 8.230 -0.037 0.000 0.410 75 W N -0.719 120.581 121.300 0.001 0.000 2.030 75 W HA 0.015 4.754 4.660 0.132 0.000 0.360 75 W C -0.217 176.355 176.519 0.088 0.000 1.370 75 W CA 0.471 57.871 57.345 0.091 0.000 1.433 75 W CB 1.088 30.617 29.460 0.115 0.000 1.204 75 W HN -0.418 7.911 8.180 0.249 0.000 0.649 76 L N -0.115 121.368 121.223 0.433 0.000 2.573 76 L HA 0.303 4.806 4.340 0.272 0.000 0.260 76 L C -1.806 175.297 176.870 0.388 0.000 0.997 76 L CA -1.025 54.017 54.840 0.336 0.000 0.890 76 L CB 2.422 44.646 42.059 0.275 0.000 1.179 76 L HN 0.058 8.637 8.230 0.582 0.000 0.439 77 L N 3.312 124.686 121.223 0.251 0.000 2.470 77 L HA -0.101 4.288 4.340 0.083 0.000 0.243 77 L C 0.518 177.382 176.870 -0.011 0.000 1.227 77 L CA 0.782 55.683 54.840 0.103 0.000 0.824 77 L CB 1.247 43.336 42.059 0.050 0.000 1.175 77 L HN -0.032 8.329 8.230 0.219 0.000 0.503 78 D N -3.876 116.334 120.400 -0.317 0.000 2.084 78 D HA -0.177 3.720 4.640 -1.238 0.000 0.194 78 D C 0.415 176.693 176.300 -0.037 0.000 0.990 78 D CA 2.622 56.314 54.000 -0.513 0.000 0.826 78 D CB 0.242 40.785 40.800 -0.429 0.000 0.971 78 D HN 0.078 8.292 8.370 -0.259 0.000 0.453 79 T N -5.198 109.373 114.554 0.028 0.000 5.326 79 T HA -0.036 4.342 4.350 0.048 0.000 0.316 79 T C -2.271 172.457 174.700 0.047 0.000 0.909 79 T CA 0.348 62.476 62.100 0.047 0.000 0.520 79 T CB -0.581 68.328 68.868 0.068 0.000 0.562 79 T HN -0.448 7.800 8.240 0.013 0.000 0.254 80 Y N 1.318 121.576 120.300 -0.071 0.000 2.421 80 Y HA 0.211 4.694 4.550 -0.112 0.000 0.339 80 Y C -2.732 173.148 175.900 -0.033 0.000 0.996 80 Y CA -3.160 54.893 58.100 -0.077 0.000 1.046 80 Y CB 2.480 40.890 38.460 -0.084 0.000 1.226 80 Y HN -0.635 7.720 8.280 0.125 0.000 0.445 81 P HA -0.013 3.358 4.420 -1.748 0.000 0.222 81 P C -1.756 175.312 177.300 -0.386 0.000 1.153 81 P CA 1.216 63.880 63.100 -0.727 0.000 0.798 81 P CB 0.749 32.163 31.700 -0.476 0.000 0.796 82 Y N -6.183 114.007 120.300 -0.183 0.000 2.510 82 Y HA -0.026 4.445 4.550 -0.132 0.000 0.285 82 Y C -1.606 174.266 175.900 -0.047 0.000 1.089 82 Y CA 0.772 58.801 58.100 -0.119 0.000 1.007 82 Y CB 1.410 39.798 38.460 -0.120 0.000 1.372 82 Y HN -0.579 7.676 8.280 -0.001 0.025 0.563 83 N N -1.604 117.200 118.700 0.173 0.000 2.610 83 N HA 0.249 5.078 4.740 0.147 0.000 0.264 83 N C -2.532 173.052 175.510 0.123 0.000 1.348 83 N CA -2.502 50.635 53.050 0.144 0.000 0.819 83 N CB 1.611 40.181 38.487 0.138 0.000 1.521 83 N HN -0.574 7.890 8.380 0.140 0.000 0.497 84 P HA 0.195 4.696 4.420 0.135 0.000 0.259 84 P C -1.548 175.824 177.300 0.120 0.000 1.211 84 P CA -0.959 62.222 63.100 0.135 0.000 0.810 84 P CB -0.320 31.471 31.700 0.152 0.000 0.815 85 P HA -0.054 4.442 4.420 0.127 0.000 0.220 85 P C 0.020 177.370 177.300 0.082 0.000 1.154 85 P CA 0.214 63.368 63.100 0.091 0.000 0.830 85 P CB 0.577 32.303 31.700 0.043 0.000 0.803 86 I N 0.910 121.511 120.570 0.052 0.000 2.671 86 I HA -0.121 4.055 4.170 0.010 0.000 0.285 86 I C -1.668 174.299 176.117 -0.251 0.000 1.148 86 I CA 0.052 61.339 61.300 -0.021 0.000 1.386 86 I CB -2.344 35.706 38.000 0.085 0.000 1.406 86 I HN -0.189 8.062 8.210 0.069 0.000 0.540 87 C N 5.817 124.908 119.300 -0.348 0.000 2.551 87 C HA 0.195 4.279 4.460 -0.627 0.000 0.332 87 C C -2.061 172.727 174.990 -0.336 0.000 1.139 87 C CA -1.315 57.451 59.018 -0.420 0.000 1.328 87 C CB 2.932 30.632 27.740 -0.066 0.000 1.903 87 C HN 0.308 8.448 8.230 -0.150 0.000 0.459 88 F N 0.055 120.104 119.950 0.165 0.000 2.645 88 F HA 0.712 5.426 4.527 0.161 -0.091 0.310 88 F C -2.228 173.625 175.800 0.087 0.000 1.102 88 F CA -2.621 55.461 58.000 0.137 0.000 0.952 88 F CB 2.753 41.829 39.000 0.126 0.000 1.326 88 F HN 0.118 8.099 8.300 -0.533 0.000 0.456 89 V N 2.217 122.300 119.914 0.283 0.000 2.465 89 V HA 0.244 4.441 4.120 0.129 0.000 0.279 89 V C -1.501 174.643 176.094 0.082 0.000 1.045 89 V CA -2.067 60.306 62.300 0.123 0.000 0.938 89 V CB 2.448 34.252 31.823 -0.031 0.000 0.986 89 V HN 0.856 9.090 8.190 0.272 0.119 0.467 90 K N 8.638 129.071 120.400 0.055 0.000 2.266 90 K HA 0.353 4.669 4.320 -0.008 0.000 0.274 90 K C -1.887 174.694 176.600 -0.031 0.000 1.090 90 K CA -2.987 53.305 56.287 0.007 0.000 0.925 90 K CB -0.756 31.753 32.500 0.014 0.000 1.225 90 K HN 0.134 8.421 8.250 0.061 0.000 0.458 91 P HA 0.195 4.571 4.420 -0.074 0.000 0.288 91 P C -0.400 176.863 177.300 -0.062 0.000 1.267 91 P CA -1.007 62.049 63.100 -0.072 0.000 0.815 91 P CB 1.419 33.059 31.700 -0.100 0.000 0.989 92 T N -0.938 113.583 114.554 -0.056 0.000 2.788 92 T HA 0.049 4.374 4.350 -0.041 0.000 0.287 92 T C 2.042 176.712 174.700 -0.050 0.000 1.007 92 T CA -0.791 61.282 62.100 -0.045 0.000 1.005 92 T CB 0.852 69.700 68.868 -0.033 0.000 1.012 92 T HN -0.398 7.807 8.240 -0.057 0.000 0.530 93 S N 0.108 115.784 115.700 -0.041 0.000 2.374 93 S HA -0.182 4.262 4.470 -0.045 0.000 0.227 93 S C 0.735 175.310 174.600 -0.042 0.000 1.037 93 S CA 2.691 60.867 58.200 -0.040 0.000 1.024 93 S CB -0.272 62.910 63.200 -0.030 0.000 0.861 93 S HN 0.430 8.720 8.310 -0.035 0.000 0.456 94 S N 0.236 115.915 115.700 -0.036 0.000 2.631 94 S HA 0.100 4.551 4.470 -0.032 0.000 0.217 94 S C -1.339 173.233 174.600 -0.046 0.000 0.958 94 S CA 0.422 58.602 58.200 -0.032 0.000 0.920 94 S CB 0.402 63.592 63.200 -0.017 0.000 0.776 94 S HN -0.041 8.242 8.310 -0.031 0.008 0.517 95 M N 0.564 120.124 119.600 -0.067 0.000 2.368 95 M HA 0.069 4.495 4.480 -0.091 0.000 0.311 95 M C -1.922 174.282 176.300 -0.160 0.000 1.168 95 M CA 0.307 55.546 55.300 -0.102 0.000 1.044 95 M CB 2.011 34.553 32.600 -0.097 0.000 1.506 95 M HN -0.558 7.466 8.290 -0.062 0.228 0.475 96 T N 2.058 116.450 114.554 -0.270 0.000 2.949 96 T HA 0.253 4.445 4.350 -0.264 0.000 0.300 96 T C -1.311 173.088 174.700 -0.502 0.000 0.988 96 T CA -0.542 61.328 62.100 -0.382 0.000 0.993 96 T CB 2.249 70.828 68.868 -0.482 0.000 0.984 96 T HN -0.011 8.058 8.240 -0.286 0.000 0.442 97 I N 5.159 125.532 120.570 -0.328 0.000 2.588 97 I HA -0.266 3.738 4.170 -0.277 0.000 0.283 97 I C -0.732 175.216 176.117 -0.282 0.000 1.119 97 I CA 0.696 61.834 61.300 -0.270 0.000 1.419 97 I CB 0.749 38.654 38.000 -0.157 0.000 1.394 97 I HN 0.407 8.468 8.210 -0.247 0.000 0.562 98 K N 8.506 128.783 120.400 -0.205 0.000 2.281 98 K HA 0.208 4.485 4.320 -0.072 0.000 0.272 98 K C -0.506 176.097 176.600 0.006 0.000 1.048 98 K CA -1.533 54.718 56.287 -0.060 0.000 0.898 98 K CB 0.771 33.329 32.500 0.097 0.000 1.128 98 K HN 0.536 8.572 8.250 -0.190 0.100 0.460 99 T N 2.483 117.045 114.554 0.013 0.000 2.930 99 T HA -0.167 4.307 4.350 0.014 -0.115 0.306 99 T C -0.023 174.712 174.700 0.059 0.000 1.045 99 T CA -0.009 62.105 62.100 0.023 0.000 1.134 99 T CB 0.465 69.336 68.868 0.004 0.000 0.961 99 T HN 0.086 8.328 8.240 0.003 0.000 0.545 100 G N 3.854 112.690 108.800 0.060 0.000 2.324 100 G HA2 -0.029 3.961 3.960 0.050 0.000 0.293 100 G HA3 -0.029 4.000 3.960 0.116 0.000 0.293 100 G C -0.734 174.205 174.900 0.065 0.000 1.297 100 G CA 0.318 45.463 45.100 0.075 0.000 0.853 100 G HN 0.388 8.703 8.290 0.040 0.000 0.535 101 K N 0.205 120.618 120.400 0.022 0.000 2.360 101 K HA -0.350 4.004 4.320 0.057 0.000 0.201 101 K C 0.317 176.922 176.600 0.009 0.000 1.046 101 K CA 2.478 58.757 56.287 -0.014 0.000 0.940 101 K CB -0.078 32.352 32.500 -0.116 0.000 0.748 101 K HN 0.343 8.603 8.250 0.017 0.000 0.465 102 H N -5.882 113.307 119.070 0.198 0.000 2.547 102 H HA -0.053 4.676 4.556 0.289 0.000 0.272 102 H C 0.093 175.576 175.328 0.258 0.000 0.971 102 H CA 1.517 57.722 56.048 0.262 0.000 1.245 102 H CB 0.718 30.654 29.762 0.290 0.000 1.440 102 H HN -0.304 8.006 8.280 0.146 0.058 0.540 103 V N -3.715 116.355 119.914 0.259 0.000 3.077 103 V HA 0.216 4.642 4.120 0.216 -0.177 0.299 103 V C -1.820 174.309 176.094 0.059 0.000 1.276 103 V CA -1.656 60.744 62.300 0.167 0.000 0.993 103 V CB 4.052 35.938 31.823 0.106 0.000 1.076 103 V HN -0.457 7.729 8.190 0.209 0.130 0.434 104 D N 5.261 125.669 120.400 0.014 0.000 2.232 104 D HA -0.000 4.582 4.640 -0.096 0.000 0.220 104 D C 0.187 176.467 176.300 -0.033 0.000 0.982 104 D CA 3.108 57.073 54.000 -0.058 0.000 0.892 104 D CB 0.574 41.317 40.800 -0.094 0.000 1.040 104 D HN 0.151 8.555 8.370 0.056 0.000 0.463 105 A N -6.472 116.336 122.820 -0.020 0.000 2.312 105 A HA -0.112 4.185 4.320 -0.039 0.000 0.189 105 A C -1.311 176.254 177.584 -0.032 0.000 2.525 105 A CA 0.615 52.633 52.037 -0.032 0.000 1.466 105 A CB -0.251 18.726 19.000 -0.037 0.000 1.089 105 A HN 0.031 8.181 8.150 -0.001 0.000 0.415 106 N N -1.416 117.275 118.700 -0.015 0.000 2.314 106 N HA -0.005 4.710 4.740 -0.042 0.000 0.200 106 N C 0.379 175.886 175.510 -0.006 0.000 1.135 106 N CA 0.204 53.240 53.050 -0.023 0.000 0.835 106 N CB 0.464 38.937 38.487 -0.022 0.000 0.989 106 N HN 0.020 8.398 8.380 -0.004 0.000 0.478 107 G N -1.310 107.507 108.800 0.029 0.000 2.175 107 G HA2 -0.270 3.716 3.960 0.043 0.000 0.244 107 G HA3 -0.270 3.866 3.960 0.062 -0.139 0.244 107 G C -1.243 173.786 174.900 0.215 0.000 0.982 107 G CA 0.264 45.412 45.100 0.079 0.000 0.641 107 G HN -0.189 8.025 8.290 0.017 0.086 0.527 108 K N 0.453 120.986 120.400 0.221 0.000 2.401 108 K HA -0.093 4.514 4.320 0.478 0.000 0.278 108 K C -0.332 176.461 176.600 0.321 0.000 1.018 108 K CA 0.394 56.879 56.287 0.329 0.000 0.981 108 K CB 0.291 32.955 32.500 0.274 0.000 0.933 108 K HN -0.433 7.836 8.250 0.141 0.066 0.477 109 I N 1.828 122.615 120.570 0.362 0.000 2.519 109 I HA -0.134 4.276 4.170 0.399 0.000 0.287 109 I C 0.084 176.487 176.117 0.475 0.000 1.047 109 I CA 0.373 61.911 61.300 0.397 0.000 1.381 109 I CB 0.861 39.077 38.000 0.360 0.000 1.417 109 I HN -0.407 8.017 8.210 0.357 0.000 0.540 110 Y N 7.466 127.928 120.300 0.270 0.000 2.513 110 Y HA 0.197 4.848 4.550 0.169 0.000 0.341 110 Y C -2.100 173.924 175.900 0.205 0.000 1.075 110 Y CA -0.564 57.653 58.100 0.195 0.000 1.190 110 Y CB 1.218 39.755 38.460 0.128 0.000 1.111 110 Y HN -0.131 8.444 8.280 0.490 0.000 0.644 111 L N 1.143 122.507 121.223 0.236 0.000 2.371 111 L HA 0.451 4.883 4.340 0.152 0.000 0.262 111 L C -1.159 175.773 176.870 0.103 0.000 1.006 111 L CA -2.610 52.380 54.840 0.250 0.000 0.818 111 L CB 3.629 45.942 42.059 0.424 0.000 1.354 111 L HN -0.445 7.961 8.230 0.295 0.000 0.415 112 P HA 0.232 4.609 4.420 -0.071 0.000 0.220 112 P C -1.489 175.840 177.300 0.049 0.000 1.778 112 P CA -0.421 62.678 63.100 -0.001 0.000 0.912 112 P CB -1.727 29.986 31.700 0.022 0.000 1.861 113 Y N -3.401 116.923 120.300 0.041 0.000 2.266 113 Y HA -0.002 4.577 4.550 0.048 0.000 0.294 113 Y C 0.494 176.460 175.900 0.110 0.000 1.127 113 Y CA 1.330 59.462 58.100 0.053 0.000 1.140 113 Y CB -1.046 37.423 38.460 0.015 0.000 1.071 113 Y HN -0.334 7.738 8.280 -0.195 0.091 0.525 114 L N -0.968 119.898 121.223 -0.596 0.000 2.044 114 L HA -0.323 4.040 4.340 0.040 0.000 0.205 114 L C 0.926 177.735 176.870 -0.101 0.000 1.075 114 L CA 2.726 57.416 54.840 -0.250 0.000 0.747 114 L CB 0.085 41.898 42.059 -0.409 0.000 0.903 114 L HN -0.198 6.919 8.230 -1.855 0.000 0.435 115 H N -1.959 116.940 119.070 -0.285 0.000 2.489 115 H HA -0.202 4.256 4.556 -0.164 0.000 0.293 115 H C 0.501 175.764 175.328 -0.107 0.000 1.066 115 H CA 1.541 57.480 56.048 -0.183 0.000 1.305 115 H CB 0.715 30.358 29.762 -0.200 0.000 1.386 115 H HN 0.082 8.206 8.280 -0.260 0.000 0.551 116 E N -0.850 119.317 120.200 -0.056 0.000 2.075 116 E HA -0.167 4.087 4.350 -0.159 0.000 0.193 116 E C 0.313 176.948 176.600 0.059 0.000 0.950 116 E CA 0.573 56.950 56.400 -0.039 0.000 0.859 116 E CB 0.390 30.115 29.700 0.042 0.000 0.846 116 E HN -0.248 7.960 8.360 -0.015 0.143 0.467 117 W N 0.295 121.552 121.300 -0.071 0.000 1.086 117 W HA -0.167 4.462 4.660 -0.051 0.000 0.370 117 W C 0.109 176.571 176.519 -0.095 0.000 0.749 117 W CA 0.710 58.026 57.345 -0.049 0.000 0.948 117 W CB 1.023 30.495 29.460 0.019 0.000 1.489 117 W HN -0.324 8.043 8.180 0.311 0.000 0.614 118 K N -2.556 117.756 120.400 -0.146 0.000 3.239 118 K HA -0.317 3.923 4.320 -0.133 0.000 0.270 118 K C -0.863 175.438 176.600 -0.498 0.000 1.083 118 K CA 0.834 56.975 56.287 -0.242 0.000 0.782 118 K CB -1.313 31.113 32.500 -0.124 0.000 1.290 118 K HN 0.120 8.502 8.250 0.220 0.000 0.474 119 H N -1.072 117.487 119.070 -0.853 0.000 2.395 119 H HA -0.072 4.099 4.556 -0.642 0.000 0.299 119 H C -0.685 174.316 175.328 -0.544 0.000 1.070 119 H CA 2.294 57.887 56.048 -0.757 0.000 1.356 119 H CB -0.473 28.696 29.762 -0.988 0.000 1.401 119 H HN 0.234 7.903 8.280 -1.019 0.000 0.524 120 P HA -0.065 3.989 4.420 -0.416 0.117 0.213 120 P C 0.729 177.905 177.300 -0.207 0.000 1.169 120 P CA 1.290 64.114 63.100 -0.462 0.000 0.885 120 P CB 0.665 31.955 31.700 -0.683 0.000 0.779 121 Q N -4.237 115.472 119.800 -0.151 0.000 3.458 121 Q HA -0.249 4.061 4.340 -0.049 0.000 0.210 121 Q C -0.361 175.731 176.000 0.153 0.000 2.737 121 Q CA 1.870 57.688 55.803 0.025 0.000 0.294 121 Q CB -0.947 27.860 28.738 0.114 0.000 0.233 121 Q HN 0.414 8.522 8.270 -0.270 0.000 0.500 122 S N -0.263 115.638 115.700 0.335 0.000 2.632 122 S HA 0.090 4.645 4.470 0.141 0.000 0.267 122 S C -0.932 173.730 174.600 0.104 0.000 1.276 122 S CA -0.176 58.154 58.200 0.217 0.000 0.998 122 S CB 0.861 64.207 63.200 0.244 0.000 0.953 122 S HN -0.190 8.353 8.310 0.548 0.096 0.547 123 D N -0.535 119.903 120.400 0.063 0.000 2.621 123 D HA 0.290 4.960 4.640 0.049 0.000 0.255 123 D C 0.305 176.635 176.300 0.050 0.000 1.122 123 D CA -1.394 52.634 54.000 0.047 0.000 1.096 123 D CB 0.753 41.569 40.800 0.027 0.000 1.282 123 D HN -0.217 8.182 8.370 0.049 0.000 0.619 124 L N -1.287 119.967 121.223 0.052 0.000 2.189 124 L HA -0.316 4.067 4.340 0.072 0.000 0.214 124 L C 1.326 178.222 176.870 0.043 0.000 1.097 124 L CA 3.477 58.352 54.840 0.058 0.000 0.764 124 L CB 0.333 42.430 42.059 0.063 0.000 0.900 124 L HN 0.496 8.757 8.230 0.052 0.000 0.436 125 L N -3.333 117.896 121.223 0.009 0.000 2.027 125 L HA -0.297 4.026 4.340 -0.029 0.000 0.206 125 L C 1.878 178.750 176.870 0.003 0.000 1.074 125 L CA 3.177 58.002 54.840 -0.025 0.000 0.745 125 L CB -0.402 41.610 42.059 -0.079 0.000 0.898 125 L HN -0.598 7.755 8.230 0.005 -0.120 0.433 126 G N -2.001 106.796 108.800 -0.005 0.000 2.432 126 G HA2 -0.359 3.576 3.960 -0.043 0.000 0.219 126 G HA3 -0.359 3.581 3.960 -0.033 0.000 0.219 126 G C 1.100 175.980 174.900 -0.033 0.000 1.135 126 G CA 1.810 46.894 45.100 -0.028 0.000 0.767 126 G HN -0.740 7.649 8.290 0.001 -0.098 0.550 127 L N 1.775 122.998 121.223 -0.001 0.000 1.955 127 L HA -0.409 3.904 4.340 -0.046 0.000 0.213 127 L C 1.836 178.652 176.870 -0.090 0.000 1.072 127 L CA 3.135 57.956 54.840 -0.032 0.000 0.755 127 L CB 0.129 42.200 42.059 0.020 0.000 0.888 127 L HN -0.680 7.548 8.230 0.026 0.017 0.432 128 I N -3.245 117.322 120.570 -0.006 0.000 2.423 128 I HA -0.607 3.515 4.170 -0.080 0.000 0.254 128 I C 2.063 178.172 176.117 -0.014 0.000 1.151 128 I CA 3.785 65.088 61.300 0.004 0.000 1.421 128 I CB -0.502 37.600 38.000 0.170 0.000 1.079 128 I HN -0.805 7.433 8.210 0.046 0.000 0.431 129 Q N -0.276 119.540 119.800 0.026 0.000 2.135 129 Q HA -0.366 4.013 4.340 0.066 0.000 0.204 129 Q C 2.537 178.473 176.000 -0.106 0.000 0.981 129 Q CA 3.654 59.458 55.803 0.001 0.000 0.856 129 Q CB -0.014 28.718 28.738 -0.010 0.000 0.902 129 Q HN -0.390 7.780 8.270 0.038 0.123 0.425 130 V N -0.142 119.670 119.914 -0.170 0.000 2.307 130 V HA -0.542 3.463 4.120 -0.191 0.000 0.245 130 V C 1.605 177.469 176.094 -0.383 0.000 1.045 130 V CA 4.112 66.267 62.300 -0.240 0.000 1.024 130 V CB -0.098 31.574 31.823 -0.253 0.000 0.651 130 V HN -0.387 7.600 8.190 -0.152 0.112 0.449 131 M N -1.208 118.092 119.600 -0.500 0.000 2.149 131 M HA -0.440 3.217 4.480 -1.371 0.000 0.261 131 M C 2.465 178.326 176.300 -0.732 0.000 1.064 131 M CA 3.932 58.676 55.300 -0.926 0.000 1.102 131 M CB -0.536 31.687 32.600 -0.628 0.000 1.369 131 M HN -0.809 7.242 8.290 -0.397 0.000 0.408 132 I N -0.203 120.191 120.570 -0.293 0.000 2.252 132 I HA -0.544 3.613 4.170 -0.020 0.000 0.245 132 I C 2.279 178.341 176.117 -0.092 0.000 1.102 132 I CA 3.871 65.105 61.300 -0.110 0.000 1.385 132 I CB -0.487 37.478 38.000 -0.058 0.000 1.064 132 I HN -0.016 7.950 8.210 -0.246 0.096 0.414 133 V N 0.257 120.090 119.914 -0.135 0.000 2.270 133 V HA -0.622 3.468 4.120 -0.048 0.000 0.245 133 V C 1.894 177.924 176.094 -0.106 0.000 1.043 133 V CA 4.574 66.817 62.300 -0.095 0.000 1.014 133 V CB -0.130 31.634 31.823 -0.098 0.000 0.645 133 V HN -0.228 7.779 8.190 -0.169 0.082 0.447 134 V N -0.204 119.581 119.914 -0.214 0.000 2.261 134 V HA -0.557 3.495 4.120 -0.114 0.000 0.246 134 V C 1.799 177.833 176.094 -0.100 0.000 1.047 134 V CA 4.653 66.824 62.300 -0.214 0.000 1.015 134 V CB 0.083 31.693 31.823 -0.355 0.000 0.642 134 V HN 0.363 8.269 8.190 -0.296 0.107 0.446 135 F N -2.772 117.102 119.950 -0.127 0.000 2.546 135 F HA 0.287 4.971 4.527 -0.149 -0.246 0.298 135 F C 2.348 178.127 175.800 -0.035 0.000 1.120 135 F CA -0.504 57.434 58.000 -0.103 0.000 1.456 135 F CB -1.585 37.368 39.000 -0.079 0.000 1.088 135 F HN 0.270 8.171 8.300 -0.474 0.114 0.572 136 G N -1.396 107.484 108.800 0.133 0.000 2.422 136 G HA2 -0.361 3.771 3.960 0.150 0.000 0.218 136 G HA3 -0.361 3.663 3.960 0.074 -0.020 0.218 136 G C -0.159 174.831 174.900 0.151 0.000 1.146 136 G CA 1.966 47.139 45.100 0.122 0.000 0.769 136 G HN -0.374 7.758 8.290 0.056 0.192 0.547 137 D N -1.215 119.246 120.400 0.102 0.000 2.525 137 D HA 0.070 4.766 4.640 0.093 0.000 0.248 137 D C -0.355 176.023 176.300 0.131 0.000 1.000 137 D CA 1.659 55.713 54.000 0.090 0.000 0.923 137 D CB 1.845 42.657 40.800 0.019 0.000 1.101 137 D HN -0.805 7.593 8.370 0.067 0.013 0.493 138 E N 0.038 120.284 120.200 0.077 0.000 2.052 138 E HA 0.318 4.723 4.350 0.091 0.000 0.283 138 E C -2.115 174.522 176.600 0.062 0.000 1.071 138 E CA -3.205 53.226 56.400 0.052 0.000 0.851 138 E CB 1.261 30.899 29.700 -0.104 0.000 1.066 138 E HN -0.558 7.828 8.360 0.045 0.000 0.396 139 P HA 0.166 4.571 4.420 -0.025 0.000 0.264 139 P C -1.976 175.326 177.300 0.004 0.000 1.229 139 P CA -1.148 61.966 63.100 0.023 0.000 0.780 139 P CB 0.216 31.935 31.700 0.031 0.000 0.808 140 P HA -0.001 4.327 4.420 -0.153 0.000 0.220 140 P C -1.424 175.736 177.300 -0.233 0.000 1.154 140 P CA 0.774 63.684 63.100 -0.316 0.000 0.830 140 P CB 1.141 32.227 31.700 -1.023 0.000 0.803 141 V N -3.619 116.157 119.914 -0.230 0.000 2.818 141 V HA 0.158 4.263 4.120 -0.330 -0.183 0.256 141 V C -2.563 173.401 176.094 -0.216 0.000 0.925 141 V CA -1.288 60.856 62.300 -0.260 0.000 0.908 141 V CB 1.083 32.759 31.823 -0.245 0.000 1.052 141 V HN -0.823 7.231 8.190 -0.226 0.000 0.498 142 F N 4.021 123.876 119.950 -0.159 0.000 2.420 142 F HA 0.416 4.817 4.527 -0.210 0.000 0.352 142 F C -1.383 174.345 175.800 -0.120 0.000 1.108 142 F CA -1.966 55.929 58.000 -0.175 0.000 1.162 142 F CB 0.948 39.828 39.000 -0.200 0.000 1.118 142 F HN -0.577 7.443 8.300 -0.468 0.000 0.510 143 S N 4.177 119.879 115.700 0.003 0.000 2.652 143 S HA -0.098 4.390 4.470 -0.102 -0.080 0.270 143 S C 0.241 174.886 174.600 0.075 0.000 1.243 143 S CA -0.658 57.533 58.200 -0.016 0.000 0.999 143 S CB 1.021 64.216 63.200 -0.007 0.000 0.973 143 S HN 0.192 8.515 8.310 0.021 0.000 0.544 144 R N 2.135 122.661 120.500 0.043 0.000 2.539 144 R HA 0.300 4.700 4.340 0.101 0.000 0.275 144 R C -2.015 174.317 176.300 0.054 0.000 1.077 144 R CA -2.008 54.129 56.100 0.062 0.000 1.097 144 R CB -0.570 29.750 30.300 0.035 0.000 1.018 144 R HN -0.273 7.998 8.270 0.002 0.000 0.483 145 P HA 0.000 4.458 4.420 0.063 0.000 0.216 145 P CA 0.000 63.129 63.100 0.048 0.000 0.800 145 P CB 0.000 31.725 31.700 0.041 0.000 0.726