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 3l15_1_B DATA FIRST_RESID 221 DATA SEQUENCE RGLGTARLQL VEFSAFVEPP DAVDSYQRHL FVHISQXXXX XXAPPLESVD DATA SEQUENCE VRQIYDKFPE KKGGLRELYD RGPPHAFFLV KFWADLNWXX XXXXXXXXXX DATA SEQUENCE XXXXGFYGVS SQYESLEHXT LTCSSKVCSF GKQVVEKVET ERAQLEDGRF DATA SEQUENCE VYRLLRSPXC EYLVNFLHKL RQLPERYXXN SVLENFTILQ VVTNRDTQEL DATA SEQUENCE LLCTAYVFEV STSERGAQHH IYRLVR 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 221 R HA 0.000 4.378 4.340 0.063 0.000 0.208 221 R C 0.000 176.329 176.300 0.048 0.000 0.893 221 R CA 0.000 56.141 56.100 0.069 0.000 0.921 221 R CB 0.000 30.327 30.300 0.045 0.000 0.687 222 G N -2.740 106.089 108.800 0.049 0.000 2.721 222 G HA2 0.183 4.126 3.960 -0.029 0.000 0.296 222 G HA3 0.183 4.120 3.960 -0.039 0.000 0.296 222 G C -2.280 172.528 174.900 -0.154 0.000 1.383 222 G CA -0.223 44.859 45.100 -0.029 0.000 0.788 222 G HN -0.697 7.640 8.290 0.079 0.000 0.500 223 L N 2.083 123.126 121.223 -0.300 0.000 2.404 223 L HA 0.078 3.671 4.340 -1.246 0.000 0.277 223 L C -1.409 175.108 176.870 -0.588 0.000 1.184 223 L CA -0.250 54.170 54.840 -0.700 0.000 1.013 223 L CB -0.589 41.172 42.059 -0.496 0.000 1.318 223 L HN 0.316 8.834 8.230 -0.217 -0.418 0.435 224 G N 2.097 110.530 108.800 -0.613 0.000 2.328 224 G HA2 0.348 4.233 3.960 -0.229 0.000 0.295 224 G HA3 0.348 4.232 3.960 -0.125 0.000 0.295 224 G C -2.357 172.560 174.900 0.029 0.000 1.413 224 G CA 0.323 45.291 45.100 -0.221 0.000 0.817 224 G HN -0.537 7.296 8.290 -0.761 0.000 0.546 225 T N -3.483 111.126 114.554 0.093 0.000 2.807 225 T HA 0.432 4.916 4.350 0.223 0.000 0.277 225 T C 0.884 175.650 174.700 0.109 0.000 1.006 225 T CA -3.085 59.122 62.100 0.179 0.000 1.006 225 T CB 3.266 72.287 68.868 0.256 0.000 1.274 225 T HN 0.271 8.543 8.240 0.053 0.000 0.569 226 A N -0.324 122.554 122.820 0.098 0.000 2.024 226 A HA -0.158 4.199 4.320 0.062 0.000 0.220 226 A C 1.048 178.674 177.584 0.071 0.000 1.164 226 A CA 2.581 54.657 52.037 0.066 0.000 0.643 226 A CB -0.512 18.512 19.000 0.040 0.000 0.806 226 A HN 0.646 8.858 8.150 0.103 0.000 0.451 227 R N -5.777 114.768 120.500 0.076 0.000 2.173 227 R HA -0.009 4.370 4.340 0.065 0.000 0.208 227 R C -0.747 175.578 176.300 0.041 0.000 1.035 227 R CA 1.315 57.450 56.100 0.058 0.000 1.004 227 R CB 1.625 31.951 30.300 0.043 0.000 0.917 227 R HN -0.615 7.673 8.270 0.092 0.038 0.462 228 L N -2.597 118.644 121.223 0.031 0.000 2.614 228 L HA 0.550 5.108 4.340 0.043 -0.192 0.264 228 L C -2.617 174.279 176.870 0.043 0.000 0.940 228 L CA -0.255 54.591 54.840 0.009 0.000 0.903 228 L CB 3.589 45.578 42.059 -0.117 0.000 1.306 228 L HN -0.810 7.446 8.230 0.043 0.000 0.410 229 Q N 4.133 123.992 119.800 0.098 0.000 2.312 229 Q HA 0.377 4.729 4.340 0.019 0.000 0.263 229 Q C -1.450 174.631 176.000 0.135 0.000 0.995 229 Q CA -1.597 54.249 55.803 0.072 0.000 0.853 229 Q CB 2.838 31.607 28.738 0.053 0.000 1.300 229 Q HN 0.571 8.920 8.270 0.132 0.000 0.448 230 L N 3.708 124.964 121.223 0.056 0.000 2.410 230 L HA -0.151 4.133 4.340 -0.094 0.000 0.273 230 L C -0.933 175.890 176.870 -0.078 0.000 1.152 230 L CA 1.119 55.931 54.840 -0.046 0.000 0.855 230 L CB 0.396 42.387 42.059 -0.114 0.000 1.129 230 L HN -0.291 7.928 8.230 -0.018 0.000 0.463 231 V N 5.541 125.389 119.914 -0.110 0.000 3.048 231 V HA 0.083 4.182 4.120 -0.036 0.000 0.241 231 V C -0.830 175.222 176.094 -0.069 0.000 1.129 231 V CA 0.867 63.135 62.300 -0.054 0.000 1.128 231 V CB 1.703 33.515 31.823 -0.017 0.000 0.849 231 V HN 0.844 8.921 8.190 -0.187 0.000 0.475 232 E N -2.613 117.531 120.200 -0.095 0.000 2.381 232 E HA 0.579 5.093 4.350 -0.080 -0.212 0.286 232 E C -2.742 173.869 176.600 0.018 0.000 0.960 232 E CA -0.684 55.681 56.400 -0.057 0.000 0.793 232 E CB 3.942 33.626 29.700 -0.027 0.000 1.225 232 E HN -0.705 7.566 8.360 -0.149 0.000 0.420 233 F N 6.503 126.374 119.950 -0.130 0.000 2.581 233 F HA 1.044 5.775 4.527 -0.031 -0.222 0.311 233 F C -2.630 173.191 175.800 0.034 0.000 1.113 233 F CA -1.926 56.048 58.000 -0.044 0.000 0.935 233 F CB 4.321 43.316 39.000 -0.009 0.000 1.232 233 F HN 0.273 8.582 8.300 0.015 0.000 0.445 234 S N 4.461 119.728 115.700 -0.721 0.000 2.547 234 S HA 0.580 4.966 4.470 -0.388 -0.148 0.270 234 S C -2.584 171.731 174.600 -0.475 0.000 1.150 234 S CA -0.977 56.985 58.200 -0.397 0.000 0.850 234 S CB 3.150 66.440 63.200 0.150 0.000 1.118 234 S HN 0.374 8.209 8.310 -0.791 0.000 0.461 235 A N 0.892 123.553 122.820 -0.265 0.000 2.371 235 A HA 1.078 5.446 4.320 -0.201 -0.169 0.311 235 A C -2.237 175.412 177.584 0.109 0.000 1.068 235 A CA -1.778 50.188 52.037 -0.118 0.000 0.744 235 A CB 3.496 22.443 19.000 -0.089 0.000 1.239 235 A HN 0.083 8.104 8.150 -0.215 0.000 0.435 236 F N -2.531 117.427 119.950 0.014 0.000 2.713 236 F HA 0.986 5.355 4.527 -0.508 -0.146 0.311 236 F C -2.980 172.679 175.800 -0.236 0.000 1.141 236 F CA -1.568 56.287 58.000 -0.241 0.000 0.939 236 F CB 2.974 41.836 39.000 -0.230 0.000 1.325 236 F HN 0.545 8.575 8.300 -0.451 0.000 0.453 237 V N -0.146 119.606 119.914 -0.271 0.000 2.709 237 V HA 0.725 4.770 4.120 -0.466 -0.205 0.308 237 V C -1.935 174.075 176.094 -0.141 0.000 1.062 237 V CA -2.865 59.186 62.300 -0.416 0.000 0.901 237 V CB 3.504 34.786 31.823 -0.902 0.000 1.003 237 V HN 0.247 8.202 8.190 -0.391 0.000 0.425 238 E N 8.630 128.822 120.200 -0.013 0.000 2.133 238 E HA 0.699 5.096 4.350 -0.127 -0.123 0.274 238 E C -1.941 174.636 176.600 -0.038 0.000 0.930 238 E CA -3.496 52.889 56.400 -0.025 0.000 0.770 238 E CB 1.747 31.517 29.700 0.117 0.000 1.104 238 E HN 0.119 8.493 8.360 0.024 0.000 0.403 239 P HA 0.168 4.609 4.420 0.035 0.000 0.272 239 P C -1.090 176.225 177.300 0.026 0.000 1.230 239 P CA -1.402 61.702 63.100 0.007 0.000 0.788 239 P CB -0.684 31.019 31.700 0.005 0.000 0.949 240 P HA -0.267 4.201 4.420 0.080 0.000 0.217 240 P C 0.037 177.362 177.300 0.041 0.000 1.148 240 P CA 2.353 65.491 63.100 0.063 0.000 0.834 240 P CB -0.004 31.735 31.700 0.065 0.000 0.783 241 D N -5.223 115.191 120.400 0.023 0.000 2.370 241 D HA 0.009 4.663 4.640 0.023 0.000 0.230 241 D C 0.131 176.433 176.300 0.003 0.000 1.143 241 D CA -0.765 53.244 54.000 0.015 0.000 0.834 241 D CB -1.886 38.920 40.800 0.010 0.000 0.944 241 D HN 0.164 8.515 8.370 0.020 0.030 0.504 242 A N -0.586 122.229 122.820 -0.009 0.000 2.121 242 A HA -0.047 4.396 4.320 -0.089 -0.177 0.218 242 A C 1.291 178.917 177.584 0.069 0.000 1.154 242 A CA 2.247 54.259 52.037 -0.042 0.000 0.679 242 A CB -0.201 18.719 19.000 -0.133 0.000 0.795 242 A HN -0.200 7.871 8.150 -0.001 0.078 0.458 243 V N -7.025 112.930 119.914 0.068 0.000 2.970 243 V HA -0.279 3.898 4.120 0.096 0.000 0.260 243 V C 0.136 176.262 176.094 0.053 0.000 1.100 243 V CA 2.786 65.129 62.300 0.071 0.000 1.122 243 V CB -0.312 31.540 31.823 0.049 0.000 0.721 243 V HN -0.338 7.846 8.190 0.052 0.037 0.483 244 D N 1.835 122.259 120.400 0.040 0.000 2.214 244 D HA 0.076 4.733 4.640 0.028 0.000 0.217 244 D C 0.003 176.324 176.300 0.035 0.000 0.973 244 D CA 1.997 56.015 54.000 0.030 0.000 0.880 244 D CB 0.782 41.594 40.800 0.019 0.000 1.031 244 D HN -0.451 7.800 8.370 0.034 0.140 0.468 245 S N -1.039 114.681 115.700 0.034 0.000 2.707 245 S HA 0.180 4.685 4.470 0.058 0.000 0.303 245 S C -1.635 172.996 174.600 0.052 0.000 1.132 245 S CA -0.994 57.232 58.200 0.044 0.000 1.046 245 S CB 0.864 64.076 63.200 0.020 0.000 1.004 245 S HN -0.688 7.636 8.310 0.022 0.000 0.483 246 Y N 7.271 127.558 120.300 -0.021 0.000 2.610 246 Y HA -0.068 4.666 4.550 -0.022 -0.197 0.332 246 Y C -0.935 174.945 175.900 -0.033 0.000 1.201 246 Y CA 1.201 59.284 58.100 -0.029 0.000 1.465 246 Y CB 0.365 38.798 38.460 -0.044 0.000 1.283 246 Y HN 0.289 8.694 8.280 0.209 0.000 0.563 247 Q N 5.162 124.453 119.800 -0.848 0.000 2.522 247 Q HA 0.374 4.444 4.340 -0.450 0.000 0.285 247 Q C -2.443 173.082 176.000 -0.792 0.000 0.982 247 Q CA -1.444 53.992 55.803 -0.611 0.000 0.805 247 Q CB 3.868 32.453 28.738 -0.256 0.000 1.457 247 Q HN -0.037 7.603 8.270 -1.050 0.000 0.394 248 R N -1.736 118.488 120.500 -0.460 0.000 2.651 248 R HA 0.660 4.981 4.340 -0.273 -0.145 0.278 248 R C -1.721 174.456 176.300 -0.205 0.000 1.010 248 R CA -1.168 54.746 56.100 -0.310 0.000 0.896 248 R CB 3.081 33.203 30.300 -0.297 0.000 1.211 248 R HN 0.211 8.281 8.270 -0.333 0.000 0.456 249 H N 3.446 122.333 119.070 -0.306 0.000 2.489 249 H HA 0.257 4.645 4.556 -0.280 0.000 0.322 249 H C -1.492 173.532 175.328 -0.507 0.000 1.091 249 H CA -0.462 55.357 56.048 -0.381 0.000 1.291 249 H CB 2.254 31.745 29.762 -0.452 0.000 1.436 249 H HN 0.452 8.650 8.280 -0.136 0.000 0.480 250 L N 6.901 127.550 121.223 -0.957 0.000 2.255 250 L HA -0.003 4.158 4.340 -0.494 -0.118 0.289 250 L C -0.704 175.715 176.870 -0.753 0.000 1.046 250 L CA -0.848 53.585 54.840 -0.678 0.000 0.816 250 L CB -0.105 41.705 42.059 -0.416 0.000 1.197 250 L HN 0.381 8.048 8.230 -0.939 0.000 0.427 251 F N 1.349 121.135 119.950 -0.273 0.000 2.084 251 F HA -0.094 4.565 4.527 -0.068 -0.172 0.296 251 F C 0.706 176.427 175.800 -0.132 0.000 1.111 251 F CA 2.710 60.622 58.000 -0.147 0.000 1.224 251 F CB 0.629 39.541 39.000 -0.146 0.000 0.991 251 F HN -0.084 7.893 8.300 -0.539 0.000 0.471 252 V N -10.624 109.266 119.914 -0.041 0.000 3.159 252 V HA 0.336 4.372 4.120 -0.140 0.000 0.308 252 V C -2.606 173.412 176.094 -0.127 0.000 1.190 252 V CA -2.098 60.041 62.300 -0.269 0.000 1.037 252 V CB 2.775 33.994 31.823 -1.006 0.000 1.060 252 V HN -1.023 7.147 8.190 -0.032 0.000 0.437 253 H N 2.510 121.520 119.070 -0.100 0.000 3.184 253 H HA 0.523 5.225 4.556 -0.063 -0.184 0.317 253 H C -1.511 173.939 175.328 0.204 0.000 1.065 253 H CA 0.049 56.113 56.048 0.026 0.000 1.462 253 H CB 1.955 31.728 29.762 0.018 0.000 2.037 253 H HN 0.072 8.416 8.280 0.106 0.000 0.431 254 I N 7.223 127.665 120.570 -0.213 0.000 2.378 254 I HA 0.269 4.301 4.170 -0.230 0.000 0.291 254 I C -1.394 174.491 176.117 -0.387 0.000 0.992 254 I CA -0.678 60.457 61.300 -0.276 0.000 1.154 254 I CB 3.129 41.029 38.000 -0.167 0.000 1.315 254 I HN 0.342 8.483 8.210 -0.115 0.000 0.448 255 S N 6.671 122.224 115.700 -0.245 0.000 2.552 255 S HA 0.352 4.724 4.470 -0.162 0.000 0.314 255 S C -1.005 173.576 174.600 -0.033 0.000 1.099 255 S CA -1.048 57.066 58.200 -0.143 0.000 1.070 255 S CB 0.774 63.946 63.200 -0.047 0.000 0.998 255 S HN 0.318 8.573 8.310 -0.091 0.000 0.474 264 P HA 0.476 4.909 4.420 0.021 0.000 0.278 264 P C -2.683 174.633 177.300 0.026 0.000 1.258 264 P CA -1.604 61.508 63.100 0.020 0.000 0.811 264 P CB -0.623 31.088 31.700 0.018 0.000 1.063 265 P HA 0.106 4.557 4.420 0.052 0.000 0.278 265 P C -0.914 176.415 177.300 0.050 0.000 1.238 265 P CA -0.478 62.650 63.100 0.047 0.000 0.794 265 P CB 0.614 32.343 31.700 0.048 0.000 0.955 266 L N 1.742 123.001 121.223 0.061 0.000 2.483 266 L HA -0.037 4.314 4.340 0.018 0.000 0.275 266 L C 0.668 177.601 176.870 0.105 0.000 1.220 266 L CA -0.197 54.678 54.840 0.058 0.000 0.833 266 L CB -0.227 41.882 42.059 0.084 0.000 1.102 266 L HN 0.083 8.358 8.230 0.075 0.000 0.490 267 E N 0.672 120.966 120.200 0.157 0.000 2.421 267 E HA -0.062 4.390 4.350 0.169 0.000 0.253 267 E C -0.686 176.086 176.600 0.287 0.000 1.277 267 E CA 0.231 56.773 56.400 0.237 0.000 0.968 267 E CB 0.909 30.820 29.700 0.353 0.000 1.040 267 E HN 0.401 8.847 8.360 0.143 0.000 0.512 268 S N -0.968 114.866 115.700 0.224 0.000 2.566 268 S HA 0.787 5.522 4.470 0.132 -0.186 0.298 268 S C -0.786 173.821 174.600 0.013 0.000 1.083 268 S CA -1.201 57.069 58.200 0.117 0.000 0.978 268 S CB 2.020 65.243 63.200 0.038 0.000 1.073 268 S HN 0.128 8.552 8.310 0.189 0.000 0.491 269 V N 2.156 122.025 119.914 -0.074 0.000 2.709 269 V HA 0.261 4.264 4.120 -0.197 0.000 0.308 269 V C -2.279 173.709 176.094 -0.177 0.000 1.062 269 V CA -1.465 60.719 62.300 -0.193 0.000 0.901 269 V CB 3.899 35.527 31.823 -0.324 0.000 1.003 269 V HN 0.233 8.400 8.190 -0.039 0.000 0.425 270 D N 5.438 125.722 120.400 -0.194 0.000 2.348 270 D HA 0.078 4.769 4.640 -0.234 -0.191 0.253 270 D C 0.887 176.985 176.300 -0.336 0.000 1.161 270 D CA 0.435 54.291 54.000 -0.239 0.000 0.876 270 D CB 1.606 42.282 40.800 -0.206 0.000 1.160 270 D HN 0.297 8.557 8.370 -0.183 0.000 0.459 271 V N 6.098 125.733 119.914 -0.466 0.000 2.594 271 V HA -0.427 3.419 4.120 -0.457 0.000 0.253 271 V C 1.317 176.845 176.094 -0.944 0.000 1.069 271 V CA 2.801 64.727 62.300 -0.623 0.000 1.082 271 V CB 0.269 31.615 31.823 -0.794 0.000 0.680 271 V HN 0.450 8.349 8.190 -0.484 0.000 0.469 272 R N -0.933 119.020 120.500 -0.913 0.000 2.091 272 R HA -0.386 2.866 4.340 -1.813 0.000 0.238 272 R C 2.451 178.449 176.300 -0.503 0.000 1.136 272 R CA 3.632 59.175 56.100 -0.928 0.000 0.959 272 R CB -0.624 29.462 30.300 -0.358 0.000 0.856 272 R HN -0.242 7.841 8.270 -0.685 -0.224 0.437 273 Q N -3.454 116.147 119.800 -0.332 0.000 2.515 273 Q HA -0.216 4.042 4.340 -0.136 0.000 0.215 273 Q C 0.788 176.705 176.000 -0.138 0.000 0.983 273 Q CA 2.314 58.004 55.803 -0.188 0.000 0.905 273 Q CB -0.016 28.623 28.738 -0.166 0.000 0.961 273 Q HN -0.394 7.676 8.270 -0.334 0.000 0.503 274 I N -8.396 112.071 120.570 -0.171 0.000 4.310 274 I HA 0.402 4.583 4.170 0.019 0.000 0.328 274 I C 0.105 176.318 176.117 0.160 0.000 1.406 274 I CA -1.306 59.996 61.300 0.004 0.000 1.174 274 I CB 0.601 38.640 38.000 0.066 0.000 1.279 274 I HN -0.301 7.550 8.210 -0.317 0.169 0.471 275 Y N 2.409 122.746 120.300 0.062 0.000 2.193 275 Y HA -0.453 4.157 4.550 0.101 0.000 0.285 275 Y C 1.801 177.764 175.900 0.105 0.000 1.166 275 Y CA 3.274 61.419 58.100 0.076 0.000 1.181 275 Y CB -0.698 37.765 38.460 0.005 0.000 0.976 275 Y HN -0.772 7.475 8.280 -0.055 0.000 0.520 276 D N -5.089 115.444 120.400 0.223 0.000 2.363 276 D HA -0.191 4.520 4.640 0.118 0.000 0.226 276 D C 0.631 176.959 176.300 0.047 0.000 1.020 276 D CA 0.914 54.985 54.000 0.119 0.000 0.892 276 D CB -1.624 39.224 40.800 0.080 0.000 0.900 276 D HN 0.457 8.914 8.370 0.190 0.027 0.531 277 K N -2.209 118.196 120.400 0.009 0.000 2.358 277 K HA 0.150 4.344 4.320 -0.210 0.000 0.197 277 K C -0.875 175.367 176.600 -0.597 0.000 1.025 277 K CA 0.115 56.232 56.287 -0.284 0.000 1.104 277 K CB 0.936 33.212 32.500 -0.373 0.000 0.855 277 K HN -0.536 7.721 8.250 0.119 0.064 0.531 278 F N -1.850 118.124 119.950 0.040 0.000 2.654 278 F HA 0.384 4.913 4.527 0.002 0.000 0.334 278 F C -2.039 173.775 175.800 0.024 0.000 1.078 278 F CA -2.402 55.614 58.000 0.026 0.000 0.986 278 F CB 1.183 40.212 39.000 0.048 0.000 1.362 278 F HN -0.848 7.517 8.300 0.191 0.050 0.498 279 P HA 0.190 4.814 4.420 0.066 -0.165 0.275 279 P C -1.346 176.001 177.300 0.079 0.000 1.266 279 P CA -0.995 62.164 63.100 0.097 0.000 0.793 279 P CB 0.891 32.634 31.700 0.072 0.000 1.074 280 E N -1.613 118.608 120.200 0.035 0.000 2.445 280 E HA 0.189 4.543 4.350 0.007 0.000 0.273 280 E C -0.631 175.970 176.600 0.001 0.000 0.961 280 E CA -0.895 55.509 56.400 0.007 0.000 0.807 280 E CB 1.677 31.367 29.700 -0.017 0.000 1.362 280 E HN 0.019 8.395 8.360 0.028 0.000 0.453 281 K N 0.771 121.165 120.400 -0.010 0.000 2.056 281 K HA 0.008 4.310 4.320 -0.030 0.000 0.205 281 K C 0.175 176.768 176.600 -0.011 0.000 1.035 281 K CA 1.272 57.547 56.287 -0.022 0.000 0.955 281 K CB 0.539 33.021 32.500 -0.030 0.000 0.769 281 K HN 0.230 8.474 8.250 -0.011 0.000 0.447 282 K N -0.488 119.907 120.400 -0.008 0.000 2.466 282 K HA -0.430 4.236 4.320 -0.005 -0.350 0.278 282 K C 0.440 177.044 176.600 0.006 0.000 1.048 282 K CA 1.510 57.795 56.287 -0.003 0.000 1.088 282 K CB -0.774 31.723 32.500 -0.004 0.000 0.884 282 K HN -0.226 8.019 8.250 -0.009 0.000 0.478 283 G N 4.282 113.089 108.800 0.012 0.000 2.179 283 G HA2 -0.411 3.562 3.960 0.021 0.000 0.260 283 G HA3 -0.411 3.559 3.960 0.016 0.000 0.260 283 G C -0.454 174.468 174.900 0.036 0.000 0.977 283 G CA -0.218 44.895 45.100 0.020 0.000 0.641 283 G HN 0.138 8.601 8.290 0.010 -0.166 0.533 284 G N -1.342 107.480 108.800 0.037 0.000 2.539 284 G HA2 0.197 4.209 3.960 0.086 0.000 0.258 284 G HA3 0.197 4.349 3.960 0.050 -0.162 0.258 284 G C -0.177 174.764 174.900 0.069 0.000 1.202 284 G CA -1.157 43.980 45.100 0.061 0.000 0.851 284 G HN -0.252 7.886 8.290 0.023 0.166 0.556 285 L N 3.035 124.316 121.223 0.097 0.000 2.051 285 L HA -0.374 4.038 4.340 0.121 0.000 0.214 285 L C 1.558 178.520 176.870 0.153 0.000 1.076 285 L CA 2.896 57.809 54.840 0.122 0.000 0.758 285 L CB -0.151 41.974 42.059 0.111 0.000 0.890 285 L HN 0.659 8.965 8.230 0.126 0.000 0.433 286 R N -2.473 118.039 120.500 0.020 0.000 2.066 286 R HA -0.446 3.886 4.340 -0.013 0.000 0.232 286 R C 1.465 177.729 176.300 -0.060 0.000 1.131 286 R CA 3.997 59.989 56.100 -0.180 0.000 0.955 286 R CB -0.452 29.435 30.300 -0.689 0.000 0.851 286 R HN 0.351 8.594 8.270 -0.027 0.011 0.432 287 E N -0.628 119.545 120.200 -0.045 0.000 2.107 287 E HA -0.199 4.132 4.350 -0.031 0.000 0.191 287 E C 2.395 179.014 176.600 0.031 0.000 0.982 287 E CA 2.642 59.032 56.400 -0.017 0.000 0.809 287 E CB -0.387 29.301 29.700 -0.020 0.000 0.756 287 E HN -0.447 7.884 8.360 -0.049 0.000 0.459 288 L N -0.415 120.859 121.223 0.084 0.000 2.012 288 L HA -0.443 3.981 4.340 0.140 0.000 0.210 288 L C 2.001 178.948 176.870 0.128 0.000 1.073 288 L CA 3.434 58.379 54.840 0.176 0.000 0.748 288 L CB -0.140 42.098 42.059 0.298 0.000 0.891 288 L HN -0.234 8.047 8.230 0.086 0.000 0.431 289 Y N -0.500 119.669 120.300 -0.219 0.000 2.145 289 Y HA -0.611 3.140 4.550 -1.332 0.000 0.286 289 Y C 1.910 177.619 175.900 -0.317 0.000 1.145 289 Y CA 3.741 61.444 58.100 -0.661 0.000 1.148 289 Y CB 0.116 38.226 38.460 -0.583 0.000 0.981 289 Y HN -0.337 7.997 8.280 0.090 0.000 0.507 290 D N -2.002 118.412 120.400 0.024 0.000 2.133 290 D HA -0.341 4.312 4.640 0.022 0.000 0.195 290 D C 2.009 178.281 176.300 -0.047 0.000 0.997 290 D CA 2.735 56.734 54.000 -0.002 0.000 0.840 290 D CB -0.279 40.521 40.800 0.001 0.000 0.947 290 D HN -0.477 7.931 8.370 0.063 0.000 0.452 291 R N -0.513 119.968 120.500 -0.032 0.000 2.115 291 R HA -0.229 4.101 4.340 -0.017 0.000 0.230 291 R C 1.078 177.359 176.300 -0.032 0.000 1.111 291 R CA 1.369 57.460 56.100 -0.016 0.000 0.976 291 R CB 0.715 31.024 30.300 0.015 0.000 0.870 291 R HN -0.524 7.650 8.270 -0.013 0.088 0.445 292 G N -0.586 108.174 108.800 -0.067 0.000 2.760 292 G HA2 -0.237 3.604 3.960 -0.199 0.000 0.246 292 G HA3 -0.237 3.663 3.960 -0.100 0.000 0.246 292 G C -3.066 171.853 174.900 0.031 0.000 1.359 292 G CA -0.851 44.199 45.100 -0.082 0.000 0.861 292 G HN -0.337 7.898 8.290 -0.092 0.000 0.541 293 P HA 0.435 4.819 4.420 -0.060 0.000 0.282 293 P C -1.242 175.977 177.300 -0.136 0.000 1.249 293 P CA -2.035 61.027 63.100 -0.063 0.000 0.806 293 P CB -0.597 31.107 31.700 0.007 0.000 0.984 294 P HA -0.200 3.574 4.420 -1.077 0.000 0.216 294 P C 0.722 177.939 177.300 -0.138 0.000 1.150 294 P CA 2.346 65.156 63.100 -0.484 0.000 0.837 294 P CB -0.136 31.365 31.700 -0.332 0.000 0.786 295 H N -6.457 112.589 119.070 -0.040 0.000 2.563 295 H HA -0.167 4.343 4.556 -0.077 0.000 0.272 295 H C -0.114 175.193 175.328 -0.036 0.000 1.005 295 H CA 1.150 57.173 56.048 -0.041 0.000 1.171 295 H CB -1.067 28.687 29.762 -0.013 0.000 1.351 295 H HN 0.115 8.430 8.280 0.059 0.000 0.602 296 A N -1.792 120.718 122.820 -0.518 0.000 2.308 296 A HA 0.115 4.350 4.320 -0.141 0.000 0.217 296 A C -1.732 175.690 177.584 -0.270 0.000 1.216 296 A CA -0.281 51.548 52.037 -0.348 0.000 0.864 296 A CB 1.163 19.870 19.000 -0.489 0.000 0.902 296 A HN -0.791 7.022 8.150 -0.447 0.069 0.499 297 F N -1.173 118.560 119.950 -0.361 0.000 2.420 297 F HA 0.694 5.356 4.527 -0.089 -0.188 0.342 297 F C -0.911 174.574 175.800 -0.525 0.000 1.113 297 F CA -0.630 57.222 58.000 -0.247 0.000 1.059 297 F CB 1.994 40.947 39.000 -0.078 0.000 1.128 297 F HN -0.808 7.451 8.300 0.023 0.055 0.475 298 F N 1.141 121.082 119.950 -0.016 0.000 2.599 298 F HA 0.602 5.275 4.527 0.016 -0.137 0.311 298 F C -1.933 173.794 175.800 -0.121 0.000 1.076 298 F CA -1.409 56.558 58.000 -0.055 0.000 0.937 298 F CB 4.949 43.870 39.000 -0.131 0.000 1.282 298 F HN 0.510 8.881 8.300 0.118 0.000 0.460 299 L N 1.404 122.691 121.223 0.107 0.000 2.333 299 L HA 0.813 5.265 4.340 -0.110 -0.178 0.280 299 L C -2.033 174.835 176.870 -0.002 0.000 1.004 299 L CA -1.481 53.362 54.840 0.005 0.000 0.820 299 L CB 3.500 45.588 42.059 0.049 0.000 1.247 299 L HN 0.508 8.849 8.230 0.184 0.000 0.416 300 V N 7.210 126.968 119.914 -0.261 0.000 2.417 300 V HA 0.351 4.505 4.120 -0.203 -0.156 0.291 300 V C -2.023 173.854 176.094 -0.362 0.000 1.024 300 V CA -1.251 60.836 62.300 -0.356 0.000 0.861 300 V CB 2.126 33.544 31.823 -0.674 0.000 0.985 300 V HN 0.891 8.842 8.190 -0.398 0.000 0.436 301 K N 7.381 127.646 120.400 -0.224 0.000 2.240 301 K HA 0.544 4.836 4.320 -0.347 -0.180 0.271 301 K C -1.355 175.016 176.600 -0.381 0.000 1.018 301 K CA -1.477 54.627 56.287 -0.304 0.000 0.874 301 K CB 2.261 34.649 32.500 -0.186 0.000 1.098 301 K HN 0.359 8.568 8.250 -0.069 0.000 0.458 302 F N 6.392 126.190 119.950 -0.254 0.000 2.421 302 F HA 0.382 5.173 4.527 0.189 -0.150 0.337 302 F C -0.699 175.003 175.800 -0.164 0.000 1.105 302 F CA -2.073 55.902 58.000 -0.042 0.000 1.049 302 F CB 2.857 41.856 39.000 -0.001 0.000 1.139 302 F HN 0.178 8.261 8.300 -0.362 0.000 0.479 303 W N 2.429 123.999 121.300 0.450 0.000 2.311 303 W HA 0.324 5.373 4.660 0.334 -0.189 0.317 303 W C -1.196 175.528 176.519 0.342 0.000 1.065 303 W CA -1.290 56.262 57.345 0.344 0.000 1.364 303 W CB 0.239 29.847 29.460 0.246 0.000 1.233 303 W HN 0.402 9.142 8.180 0.933 0.000 0.409 304 A N 4.085 127.194 122.820 0.482 0.000 2.401 304 A HA 0.257 4.950 4.320 0.344 -0.167 0.259 304 A C -1.540 176.255 177.584 0.353 0.000 1.103 304 A CA -1.029 51.241 52.037 0.388 0.000 0.789 304 A CB 1.533 20.759 19.000 0.377 0.000 1.035 304 A HN 0.683 9.105 8.150 0.454 0.000 0.491 305 D N 3.675 124.273 120.400 0.329 0.000 2.411 305 D HA 0.201 5.032 4.640 0.317 0.000 0.225 305 D C -0.726 175.892 176.300 0.530 0.000 1.156 305 D CA -0.997 53.209 54.000 0.343 0.000 0.874 305 D CB 0.231 41.154 40.800 0.205 0.000 1.034 305 D HN 0.012 8.558 8.370 0.293 0.000 0.502 306 L N 4.269 125.766 121.223 0.458 0.000 2.848 306 L HA 0.097 4.909 4.340 0.787 0.000 0.240 306 L C -0.818 176.363 176.870 0.517 0.000 1.232 306 L CA -0.929 54.260 54.840 0.582 0.000 1.031 306 L CB -1.097 41.187 42.059 0.375 0.000 1.338 306 L HN 0.052 8.497 8.230 0.358 0.000 0.509 307 N N 2.521 121.463 118.700 0.403 0.000 2.955 307 N HA 0.083 4.875 4.740 0.087 0.000 0.242 307 N C -1.877 173.684 175.510 0.085 0.000 1.123 307 N CA -0.432 52.730 53.050 0.187 0.000 0.949 307 N CB -0.205 38.378 38.487 0.161 0.000 1.214 307 N HN -0.425 8.456 8.380 0.460 -0.225 0.504 326 F N 1.630 121.564 119.950 -0.027 0.000 2.388 326 F HA 0.413 5.021 4.527 0.135 0.000 0.358 326 F C -2.177 173.534 175.800 -0.148 0.000 1.122 326 F CA -1.495 56.525 58.000 0.032 0.000 1.056 326 F CB 2.202 41.251 39.000 0.080 0.000 1.155 326 F HN -0.236 8.166 8.300 0.169 0.000 0.461 327 Y N 7.150 127.009 120.300 -0.734 0.000 2.341 327 Y HA 0.511 4.906 4.550 -0.561 -0.181 0.340 327 Y C -0.374 174.758 175.900 -1.280 0.000 0.997 327 Y CA -1.035 56.622 58.100 -0.739 0.000 1.149 327 Y CB 0.815 39.042 38.460 -0.387 0.000 1.171 327 Y HN 0.439 8.584 8.280 -0.225 0.000 0.494 328 G N 1.071 109.073 108.800 -1.330 0.000 2.694 328 G HA2 0.761 4.368 3.960 -0.809 0.000 0.290 328 G HA3 0.761 3.992 3.960 -1.215 0.000 0.290 328 G C -3.190 171.164 174.900 -0.909 0.000 1.386 328 G CA -1.059 43.339 45.100 -1.170 0.000 0.872 328 G HN 0.569 7.985 8.290 -1.458 0.000 0.475 329 V N -0.996 118.706 119.914 -0.354 0.000 2.638 329 V HA 0.519 4.673 4.120 -0.212 -0.162 0.306 329 V C -1.903 174.241 176.094 0.082 0.000 1.052 329 V CA -1.446 60.770 62.300 -0.140 0.000 0.885 329 V CB 3.586 35.384 31.823 -0.042 0.000 0.999 329 V HN 0.220 8.290 8.190 -0.201 0.000 0.424 330 S N 6.879 122.650 115.700 0.118 0.000 2.500 330 S HA 0.683 5.453 4.470 0.189 -0.186 0.301 330 S C -1.292 173.382 174.600 0.125 0.000 1.092 330 S CA -1.182 57.119 58.200 0.169 0.000 1.030 330 S CB 2.557 65.888 63.200 0.219 0.000 1.031 330 S HN 0.315 8.643 8.310 0.030 0.000 0.483 331 S N 3.161 118.953 115.700 0.153 0.000 2.548 331 S HA 0.878 5.612 4.470 0.109 -0.199 0.286 331 S C -2.203 172.375 174.600 -0.037 0.000 1.098 331 S CA -1.118 57.133 58.200 0.086 0.000 0.930 331 S CB 3.731 67.011 63.200 0.134 0.000 1.070 331 S HN 0.342 8.746 8.310 0.157 0.000 0.480 332 Q N 2.260 121.922 119.800 -0.230 0.000 2.309 332 Q HA 0.959 5.530 4.340 0.010 -0.225 0.273 332 Q C -2.162 173.658 176.000 -0.299 0.000 1.040 332 Q CA -1.072 54.654 55.803 -0.127 0.000 0.834 332 Q CB 4.678 33.411 28.738 -0.008 0.000 1.345 332 Q HN 0.324 8.402 8.270 -0.319 0.000 0.414 333 Y N 2.932 123.330 120.300 0.163 0.000 2.562 333 Y HA 0.924 5.702 4.550 0.087 -0.176 0.343 333 Y C -0.806 175.246 175.900 0.252 0.000 1.025 333 Y CA -2.207 55.980 58.100 0.145 0.000 1.082 333 Y CB 4.320 42.816 38.460 0.060 0.000 1.264 333 Y HN 0.174 8.662 8.280 0.346 0.000 0.478 334 E N -1.978 118.435 120.200 0.355 0.000 2.392 334 E HA 0.768 5.529 4.350 0.476 -0.126 0.269 334 E C -1.448 175.338 176.600 0.309 0.000 0.924 334 E CA -2.259 54.349 56.400 0.346 0.000 0.784 334 E CB 4.241 34.057 29.700 0.193 0.000 1.292 334 E HN 0.586 9.117 8.360 0.285 0.000 0.447 335 S N -1.204 114.713 115.700 0.362 0.000 2.547 335 S HA 0.429 5.026 4.470 0.212 0.000 0.270 335 S C -0.802 174.000 174.600 0.336 0.000 1.150 335 S CA -1.982 56.401 58.200 0.305 0.000 0.850 335 S CB 2.430 65.828 63.200 0.330 0.000 1.118 335 S HN 0.052 8.596 8.310 0.391 0.000 0.461 336 L N 2.514 123.892 121.223 0.259 0.000 2.313 336 L HA -0.070 4.419 4.340 0.247 0.000 0.214 336 L C 0.303 177.436 176.870 0.439 0.000 1.119 336 L CA 1.722 56.727 54.840 0.276 0.000 0.809 336 L CB 0.357 42.513 42.059 0.162 0.000 0.933 336 L HN 0.881 9.230 8.230 0.199 0.000 0.449 337 E N -3.384 117.012 120.200 0.327 0.000 2.222 337 E HA 0.119 4.610 4.350 0.235 0.000 0.272 337 E C -1.626 174.933 176.600 -0.068 0.000 0.982 337 E CA -1.653 54.859 56.400 0.188 0.000 0.842 337 E CB 1.550 31.304 29.700 0.090 0.000 1.144 337 E HN -0.659 7.834 8.360 0.262 0.023 0.397 341 L N 5.017 126.194 121.223 -0.077 0.000 2.334 341 L HA 0.674 5.062 4.340 -0.207 -0.172 0.275 341 L C -0.493 176.314 176.870 -0.104 0.000 1.036 341 L CA -1.420 53.311 54.840 -0.182 0.000 0.807 341 L CB 1.914 43.768 42.059 -0.340 0.000 1.231 341 L HN 0.705 8.929 8.230 -0.009 0.000 0.438 342 T N 4.330 118.814 114.554 -0.116 0.000 2.749 342 T HA 0.505 4.986 4.350 -0.047 -0.159 0.287 342 T C -0.682 173.956 174.700 -0.103 0.000 0.970 342 T CA 0.382 62.436 62.100 -0.077 0.000 0.980 342 T CB 0.726 69.557 68.868 -0.062 0.000 0.924 342 T HN 0.498 8.656 8.240 -0.137 0.000 0.456 343 C N 8.383 127.648 119.300 -0.058 0.000 2.298 343 C HA 0.450 5.000 4.460 -0.090 -0.144 0.323 343 C C -1.229 173.760 174.990 -0.001 0.000 1.284 343 C CA -1.592 57.400 59.018 -0.042 0.000 1.577 343 C CB 1.856 29.610 27.740 0.023 0.000 2.249 343 C HN 0.927 9.142 8.230 -0.025 0.000 0.497 344 S N 5.393 121.086 115.700 -0.012 0.000 2.473 344 S HA 0.679 5.336 4.470 0.015 -0.178 0.307 344 S C -1.103 173.512 174.600 0.026 0.000 1.094 344 S CA -1.811 56.392 58.200 0.005 0.000 1.070 344 S CB 1.433 64.626 63.200 -0.012 0.000 1.019 344 S HN 0.770 9.060 8.310 -0.033 0.000 0.480 345 S N 7.775 123.499 115.700 0.040 0.000 2.552 345 S HA 0.602 5.277 4.470 0.069 -0.164 0.314 345 S C -1.438 173.181 174.600 0.033 0.000 1.099 345 S CA -0.762 57.471 58.200 0.056 0.000 1.070 345 S CB 2.261 65.505 63.200 0.074 0.000 0.998 345 S HN 0.649 8.981 8.310 0.037 0.000 0.474 346 K N 6.739 127.161 120.400 0.037 0.000 2.394 346 K HA 0.510 4.957 4.320 -0.018 -0.138 0.260 346 K C -1.249 175.335 176.600 -0.026 0.000 0.967 346 K CA -1.068 55.223 56.287 0.006 0.000 0.855 346 K CB 2.663 35.182 32.500 0.031 0.000 1.101 346 K HN 0.564 8.852 8.250 0.063 0.000 0.433 347 V N 5.324 125.166 119.914 -0.120 0.000 2.407 347 V HA 0.166 4.231 4.120 -0.301 -0.125 0.278 347 V C -1.227 174.669 176.094 -0.330 0.000 1.037 347 V CA -0.697 61.441 62.300 -0.270 0.000 0.900 347 V CB 1.499 33.158 31.823 -0.273 0.000 0.983 347 V HN 0.631 8.748 8.190 -0.123 0.000 0.459 348 C N 8.170 127.220 119.300 -0.418 0.000 2.441 348 C HA 0.598 5.082 4.460 -0.249 -0.174 0.318 348 C C -1.598 173.163 174.990 -0.382 0.000 1.222 348 C CA -1.706 57.123 59.018 -0.316 0.000 1.474 348 C CB 3.353 30.964 27.740 -0.215 0.000 2.125 348 C HN 0.998 8.906 8.230 -0.537 0.000 0.479 349 S N 2.600 118.176 115.700 -0.207 0.000 2.454 349 S HA 0.687 5.215 4.470 -0.208 -0.182 0.306 349 S C 0.771 175.436 174.600 0.108 0.000 1.100 349 S CA -2.338 55.804 58.200 -0.096 0.000 1.087 349 S CB 1.436 64.674 63.200 0.063 0.000 1.019 349 S HN 0.355 8.569 8.310 -0.160 0.000 0.480 350 F N 6.287 126.210 119.950 -0.045 0.000 2.594 350 F HA -0.439 4.061 4.527 -0.045 0.000 0.208 350 F C -0.060 175.694 175.800 -0.077 0.000 1.032 350 F CA 1.128 59.100 58.000 -0.046 0.000 0.877 350 F CB -2.587 36.407 39.000 -0.011 0.000 0.814 350 F HN 0.959 8.816 8.300 -0.572 0.101 0.844 351 G N -5.039 103.737 108.800 -0.040 0.000 2.200 351 G HA2 -0.536 3.435 3.960 -0.136 0.000 0.268 351 G HA3 -0.536 3.417 3.960 -0.013 0.000 0.268 351 G C -0.846 174.049 174.900 -0.009 0.000 0.986 351 G CA 0.664 45.732 45.100 -0.053 0.000 0.677 351 G HN 0.425 8.626 8.290 -0.148 0.000 0.532 352 K N -0.444 119.956 120.400 0.001 0.000 2.270 352 K HA 0.469 4.787 4.320 -0.002 0.000 0.255 352 K C -1.157 175.411 176.600 -0.055 0.000 0.936 352 K CA -2.809 53.475 56.287 -0.005 0.000 0.809 352 K CB 1.930 34.445 32.500 0.024 0.000 1.131 352 K HN -0.561 7.514 8.250 0.014 0.183 0.427 353 Q N 5.353 125.119 119.800 -0.056 0.000 2.293 353 Q HA -0.018 4.400 4.340 -0.116 -0.148 0.263 353 Q C 0.418 176.336 176.000 -0.137 0.000 1.002 353 Q CA 0.885 56.632 55.803 -0.093 0.000 0.910 353 Q CB 0.065 28.770 28.738 -0.055 0.000 1.185 353 Q HN 0.491 8.739 8.270 -0.035 0.000 0.401 354 V N 2.982 122.751 119.914 -0.243 0.000 3.212 354 V HA 0.360 4.344 4.120 -0.226 0.000 0.244 354 V C -0.924 174.976 176.094 -0.323 0.000 1.151 354 V CA 0.101 62.199 62.300 -0.336 0.000 1.119 354 V CB 1.938 33.387 31.823 -0.623 0.000 0.838 354 V HN 0.823 8.844 8.190 -0.282 0.000 0.470 355 V N -0.195 119.544 119.914 -0.291 0.000 3.048 355 V HA 0.250 4.294 4.120 -0.126 0.000 0.303 355 V C -2.541 173.491 176.094 -0.104 0.000 1.214 355 V CA -1.061 61.137 62.300 -0.170 0.000 0.984 355 V CB 2.652 34.383 31.823 -0.153 0.000 1.054 355 V HN -0.940 7.067 8.190 -0.305 0.000 0.430 356 E N 5.744 125.911 120.200 -0.054 0.000 2.263 356 E HA 0.782 5.322 4.350 -0.025 -0.205 0.268 356 E C -1.908 174.689 176.600 -0.005 0.000 0.884 356 E CA -1.951 54.433 56.400 -0.026 0.000 0.766 356 E CB 3.179 32.866 29.700 -0.021 0.000 1.196 356 E HN 0.150 8.483 8.360 -0.045 0.000 0.416 357 K N 8.011 128.418 120.400 0.011 0.000 2.358 357 K HA 0.411 4.745 4.320 0.023 0.000 0.260 357 K C -2.007 174.611 176.600 0.031 0.000 0.956 357 K CA -1.472 54.831 56.287 0.026 0.000 0.834 357 K CB 1.875 34.399 32.500 0.040 0.000 1.102 357 K HN 0.556 8.815 8.250 0.014 0.000 0.431 358 V N 6.173 126.103 119.914 0.027 0.000 2.448 358 V HA 0.656 5.000 4.120 0.023 -0.211 0.295 358 V C -0.263 175.850 176.094 0.032 0.000 1.025 358 V CA -1.433 60.882 62.300 0.024 0.000 0.859 358 V CB 1.818 33.648 31.823 0.011 0.000 0.988 358 V HN 0.417 8.623 8.190 0.026 0.000 0.431 359 E N 7.567 127.790 120.200 0.038 0.000 2.288 359 E HA 0.497 4.875 4.350 0.047 0.000 0.268 359 E C -1.591 175.031 176.600 0.037 0.000 0.885 359 E CA -1.415 55.014 56.400 0.049 0.000 0.767 359 E CB 4.184 33.930 29.700 0.076 0.000 1.220 359 E HN 0.498 8.879 8.360 0.035 0.000 0.427 360 T N -0.769 113.808 114.554 0.038 0.000 2.888 360 T HA 0.750 5.295 4.350 0.016 -0.185 0.284 360 T C -0.755 173.980 174.700 0.059 0.000 1.017 360 T CA -2.238 59.881 62.100 0.031 0.000 1.022 360 T CB 2.028 70.909 68.868 0.021 0.000 1.013 360 T HN 0.130 8.395 8.240 0.041 0.000 0.465 361 E N 3.794 124.039 120.200 0.075 0.000 2.278 361 E HA 0.302 4.714 4.350 0.104 0.000 0.272 361 E C -2.027 174.671 176.600 0.163 0.000 0.890 361 E CA -1.345 55.131 56.400 0.127 0.000 0.770 361 E CB 3.990 33.803 29.700 0.188 0.000 1.212 361 E HN 0.094 8.488 8.360 0.056 0.000 0.415 362 R N 6.359 126.919 120.500 0.101 0.000 2.404 362 R HA 0.157 4.531 4.340 0.056 0.000 0.291 362 R C -0.637 175.617 176.300 -0.076 0.000 1.025 362 R CA -0.705 55.419 56.100 0.039 0.000 0.991 362 R CB 1.929 32.239 30.300 0.015 0.000 1.053 362 R HN 0.151 8.467 8.270 0.077 0.000 0.479 363 A N 4.681 127.307 122.820 -0.323 0.000 2.555 363 A HA -0.094 3.615 4.320 -1.256 -0.143 0.233 363 A C -0.499 176.883 177.584 -0.336 0.000 1.060 363 A CA 0.765 52.349 52.037 -0.755 0.000 0.759 363 A CB 0.498 18.890 19.000 -1.014 0.000 0.995 363 A HN 0.299 8.265 8.150 -0.307 0.000 0.506 364 Q N 0.098 119.759 119.800 -0.232 0.000 2.496 364 Q HA 0.283 4.644 4.340 0.036 0.000 0.286 364 Q C -1.248 174.781 176.000 0.048 0.000 1.103 364 Q CA -1.914 53.874 55.803 -0.024 0.000 0.813 364 Q CB 4.493 33.209 28.738 -0.036 0.000 1.444 364 Q HN 0.408 8.466 8.270 -0.352 0.000 0.443 365 L N 0.002 121.254 121.223 0.049 0.000 2.371 365 L HA 0.210 4.495 4.340 -0.091 0.000 0.272 365 L C 0.314 177.140 176.870 -0.075 0.000 1.124 365 L CA -0.219 54.601 54.840 -0.033 0.000 0.816 365 L CB -0.806 41.239 42.059 -0.023 0.000 1.129 365 L HN 0.304 8.562 8.230 0.048 0.000 0.448 366 E N 3.026 123.143 120.200 -0.138 0.000 2.450 366 E HA 0.140 4.447 4.350 -0.071 0.000 0.272 366 E C -1.724 174.801 176.600 -0.124 0.000 0.967 366 E CA -1.629 54.711 56.400 -0.100 0.000 0.818 366 E CB 3.838 33.493 29.700 -0.076 0.000 1.401 366 E HN 0.130 8.356 8.360 -0.222 0.000 0.450 367 D N 0.456 120.805 120.400 -0.086 0.000 2.385 367 D HA -0.116 4.475 4.640 -0.081 0.000 0.260 367 D C 0.495 176.738 176.300 -0.095 0.000 1.326 367 D CA 0.339 54.292 54.000 -0.079 0.000 1.023 367 D CB -0.607 40.163 40.800 -0.051 0.000 1.083 367 D HN 0.273 8.604 8.370 -0.066 0.000 0.517 368 G N 5.804 114.526 108.800 -0.130 0.000 2.179 368 G HA2 -0.413 3.458 3.960 -0.149 0.000 0.257 368 G HA3 -0.413 3.491 3.960 -0.093 0.000 0.257 368 G C -1.501 173.297 174.900 -0.169 0.000 1.010 368 G CA 0.574 45.593 45.100 -0.135 0.000 0.736 368 G HN 0.250 8.455 8.290 -0.143 0.000 0.513 369 R N -4.819 115.528 120.500 -0.256 0.000 2.756 369 R HA 0.180 4.341 4.340 -0.298 0.000 0.273 369 R C -2.826 173.215 176.300 -0.432 0.000 1.030 369 R CA -1.323 54.617 56.100 -0.267 0.000 0.887 369 R CB 1.684 31.950 30.300 -0.056 0.000 1.274 369 R HN -0.889 7.185 8.270 -0.269 0.034 0.461 370 F N -2.221 117.727 119.950 -0.002 0.000 2.450 370 F HA 0.797 5.405 4.527 -0.132 -0.160 0.332 370 F C -0.015 175.687 175.800 -0.163 0.000 1.093 370 F CA -1.261 56.670 58.000 -0.116 0.000 1.003 370 F CB 2.426 41.343 39.000 -0.138 0.000 1.151 370 F HN -0.072 8.305 8.300 0.128 0.000 0.474 371 V N -5.291 114.548 119.914 -0.124 0.000 2.864 371 V HA 0.913 5.239 4.120 0.072 -0.163 0.314 371 V C -1.711 174.164 176.094 -0.365 0.000 1.073 371 V CA -2.816 59.425 62.300 -0.099 0.000 0.956 371 V CB 3.265 35.081 31.823 -0.010 0.000 1.023 371 V HN 0.804 8.914 8.190 -0.134 0.000 0.435 372 Y N 1.870 122.251 120.300 0.135 0.000 2.332 372 Y HA 0.317 4.927 4.550 0.099 0.000 0.326 372 Y C -1.190 174.801 175.900 0.153 0.000 0.978 372 Y CA -1.620 56.565 58.100 0.141 0.000 1.205 372 Y CB 2.300 40.870 38.460 0.184 0.000 1.131 372 Y HN 0.255 8.745 8.280 0.350 0.000 0.462 373 R N 3.823 124.442 120.500 0.198 0.000 2.265 373 R HA 0.280 4.708 4.340 0.147 0.000 0.328 373 R C -0.654 175.742 176.300 0.161 0.000 0.969 373 R CA -0.807 55.382 56.100 0.148 0.000 0.832 373 R CB 1.437 31.788 30.300 0.085 0.000 1.139 373 R HN 0.144 8.505 8.270 0.152 0.000 0.457 374 L N 6.103 127.430 121.223 0.173 0.000 2.679 374 L HA 0.334 4.768 4.340 0.157 0.000 0.238 374 L C -1.398 175.568 176.870 0.161 0.000 1.330 374 L CA -0.542 54.401 54.840 0.172 0.000 0.935 374 L CB -0.062 42.124 42.059 0.212 0.000 1.243 374 L HN 0.444 8.775 8.230 0.167 0.000 0.484 375 L N 0.277 121.586 121.223 0.143 0.000 2.334 375 L HA 0.224 4.668 4.340 0.172 0.000 0.277 375 L C 0.049 177.040 176.870 0.201 0.000 1.075 375 L CA -0.575 54.360 54.840 0.159 0.000 0.804 375 L CB 0.544 42.672 42.059 0.114 0.000 1.174 375 L HN -0.395 7.912 8.230 0.128 0.000 0.438 376 R N -1.348 119.334 120.500 0.302 0.000 3.525 376 R HA -0.426 4.273 4.340 0.598 0.000 0.276 376 R C -0.556 175.963 176.300 0.365 0.000 1.116 376 R CA 0.810 57.169 56.100 0.431 0.000 0.745 376 R CB -2.837 27.674 30.300 0.351 0.000 1.185 376 R HN 0.524 8.997 8.270 0.339 0.000 0.454 377 S N -0.110 115.733 115.700 0.239 0.000 2.537 377 S HA 0.028 4.615 4.470 0.195 0.000 0.286 377 S C -1.192 173.502 174.600 0.156 0.000 1.299 377 S CA -0.316 57.995 58.200 0.185 0.000 1.067 377 S CB 0.353 63.631 63.200 0.130 0.000 0.864 377 S HN -0.527 7.884 8.310 0.210 0.025 0.494 381 E N 1.499 121.712 120.200 0.020 0.000 2.204 381 E HA -0.298 4.016 4.350 -0.059 0.000 0.194 381 E C 0.660 177.263 176.600 0.005 0.000 0.989 381 E CA 2.348 58.742 56.400 -0.010 0.000 0.824 381 E CB 0.126 29.830 29.700 0.007 0.000 0.756 381 E HN 0.395 8.777 8.360 0.036 0.000 0.477 382 Y N -0.703 119.579 120.300 -0.029 0.000 2.114 382 Y HA -0.414 4.138 4.550 0.003 0.000 0.282 382 Y C 1.054 176.950 175.900 -0.006 0.000 1.165 382 Y CA 3.208 61.301 58.100 -0.011 0.000 1.148 382 Y CB -0.135 38.316 38.460 -0.015 0.000 0.972 382 Y HN -0.019 8.369 8.280 0.201 0.012 0.504 383 L N -2.972 118.317 121.223 0.109 0.000 2.072 383 L HA -0.379 4.019 4.340 0.097 0.000 0.205 383 L C 1.913 178.689 176.870 -0.157 0.000 1.079 383 L CA 2.742 57.599 54.840 0.029 0.000 0.752 383 L CB -0.050 42.029 42.059 0.034 0.000 0.906 383 L HN -0.668 7.643 8.230 0.141 0.004 0.436 384 V N 0.568 120.342 119.914 -0.233 0.000 2.287 384 V HA -0.662 3.112 4.120 -0.577 0.000 0.248 384 V C 1.949 177.911 176.094 -0.219 0.000 1.053 384 V CA 4.667 66.722 62.300 -0.408 0.000 1.027 384 V CB -0.383 31.137 31.823 -0.505 0.000 0.646 384 V HN -0.499 7.580 8.190 -0.184 0.000 0.447 385 N N -0.644 117.961 118.700 -0.158 0.000 2.120 385 N HA -0.281 4.433 4.740 -0.043 0.000 0.188 385 N C 2.091 177.524 175.510 -0.129 0.000 1.024 385 N CA 2.939 55.922 53.050 -0.112 0.000 0.852 385 N CB -0.365 38.035 38.487 -0.146 0.000 1.003 385 N HN -0.261 8.019 8.380 -0.167 0.000 0.424 386 F N 1.962 121.672 119.950 -0.400 0.000 2.134 386 F HA -0.293 4.000 4.527 -0.390 0.000 0.299 386 F C 1.285 176.886 175.800 -0.333 0.000 1.097 386 F CA 3.421 61.169 58.000 -0.420 0.000 1.264 386 F CB 0.155 38.843 39.000 -0.520 0.000 1.001 386 F HN -0.134 8.071 8.300 -0.159 0.000 0.479 387 L N -1.796 119.213 121.223 -0.356 0.000 2.093 387 L HA -0.526 3.497 4.340 -0.529 0.000 0.208 387 L C 2.253 178.954 176.870 -0.280 0.000 1.085 387 L CA 3.446 58.024 54.840 -0.436 0.000 0.755 387 L CB -0.498 41.230 42.059 -0.552 0.000 0.904 387 L HN -0.262 7.808 8.230 -0.267 0.000 0.435 388 H N -2.091 116.920 119.070 -0.098 0.000 2.423 388 H HA -0.267 4.305 4.556 0.028 0.000 0.297 388 H C 2.191 177.426 175.328 -0.156 0.000 1.075 388 H CA 3.473 59.486 56.048 -0.058 0.000 1.342 388 H CB 0.031 29.758 29.762 -0.059 0.000 1.395 388 H HN -0.527 7.655 8.280 -0.163 0.000 0.530 389 K N -1.025 119.292 120.400 -0.137 0.000 2.031 389 K HA -0.196 4.199 4.320 -0.124 -0.150 0.205 389 K C 2.781 179.218 176.600 -0.272 0.000 1.049 389 K CA 2.754 58.927 56.287 -0.191 0.000 0.939 389 K CB 0.088 32.462 32.500 -0.210 0.000 0.717 389 K HN -0.600 7.440 8.250 -0.181 0.102 0.438 390 L N -0.205 120.744 121.223 -0.457 0.000 2.079 390 L HA -0.310 3.775 4.340 -0.424 0.000 0.210 390 L C 1.630 178.350 176.870 -0.250 0.000 1.081 390 L CA 2.639 57.207 54.840 -0.453 0.000 0.752 390 L CB -0.363 41.286 42.059 -0.684 0.000 0.896 390 L HN -0.082 7.788 8.230 -0.599 0.000 0.433 391 R N -3.320 117.065 120.500 -0.191 0.000 2.127 391 R HA -0.344 3.937 4.340 -0.098 0.000 0.238 391 R C 0.865 177.076 176.300 -0.147 0.000 1.134 391 R CA 2.634 58.649 56.100 -0.141 0.000 0.975 391 R CB 0.007 30.192 30.300 -0.192 0.000 0.865 391 R HN -0.375 7.756 8.270 -0.200 0.019 0.447 392 Q N -4.122 115.594 119.800 -0.140 0.000 2.319 392 Q HA -0.041 4.228 4.340 -0.117 0.000 0.202 392 Q C 0.596 176.529 176.000 -0.111 0.000 0.896 392 Q CA -0.232 55.500 55.803 -0.118 0.000 0.942 392 Q CB 0.492 29.170 28.738 -0.100 0.000 1.083 392 Q HN -0.642 7.395 8.270 -0.147 0.145 0.510 393 L N 2.998 124.144 121.223 -0.128 0.000 2.490 393 L HA -0.036 4.233 4.340 -0.117 0.000 0.274 393 L C -0.609 176.193 176.870 -0.114 0.000 1.201 393 L CA -0.660 54.104 54.840 -0.127 0.000 0.869 393 L CB -0.689 41.278 42.059 -0.154 0.000 1.123 393 L HN -0.679 7.464 8.230 -0.146 0.000 0.484 394 P HA 0.015 4.394 4.420 -0.069 0.000 0.233 394 P C -1.305 175.944 177.300 -0.085 0.000 1.167 394 P CA 0.678 63.729 63.100 -0.082 0.000 0.770 394 P CB 0.334 31.996 31.700 -0.064 0.000 0.837 395 E N -3.649 116.464 120.200 -0.144 0.000 2.321 395 E HA 0.132 4.448 4.350 -0.057 0.000 0.278 395 E C -0.924 175.565 176.600 -0.184 0.000 0.902 395 E CA -0.877 55.429 56.400 -0.157 0.000 0.758 395 E CB 1.860 31.360 29.700 -0.333 0.000 1.213 395 E HN -0.606 7.590 8.360 -0.177 0.058 0.426 396 R N 2.531 123.006 120.500 -0.042 0.000 2.081 396 R HA -0.196 4.142 4.340 -0.004 0.000 0.235 396 R C 0.532 176.846 176.300 0.023 0.000 1.131 396 R CA 2.140 58.249 56.100 0.016 0.000 0.960 396 R CB 0.399 30.756 30.300 0.096 0.000 0.856 396 R HN 0.404 8.684 8.270 0.017 0.000 0.436 401 S N 1.663 117.416 115.700 0.088 0.000 2.368 401 S HA -0.155 4.379 4.470 0.107 0.000 0.224 401 S C 2.134 176.775 174.600 0.067 0.000 1.029 401 S CA 2.901 61.158 58.200 0.097 0.000 0.988 401 S CB 0.208 63.479 63.200 0.118 0.000 0.838 401 S HN -0.077 8.279 8.310 0.076 0.000 0.462 402 V N 1.622 121.563 119.914 0.045 0.000 2.343 402 V HA -0.371 3.783 4.120 0.058 0.000 0.247 402 V C 1.568 177.695 176.094 0.056 0.000 1.051 402 V CA 3.489 65.818 62.300 0.048 0.000 1.036 402 V CB -0.169 31.673 31.823 0.030 0.000 0.654 402 V HN -0.064 8.140 8.190 0.023 0.000 0.451 403 L N -2.710 118.561 121.223 0.080 0.000 2.362 403 L HA -0.293 4.160 4.340 0.189 0.000 0.219 403 L C 2.136 179.091 176.870 0.143 0.000 1.134 403 L CA 2.136 57.065 54.840 0.148 0.000 0.807 403 L CB -0.800 41.358 42.059 0.166 0.000 0.927 403 L HN -0.387 7.881 8.230 0.063 0.000 0.447 404 E N -1.730 118.511 120.200 0.069 0.000 2.209 404 E HA -0.243 4.143 4.350 0.060 0.000 0.196 404 E C 0.939 177.511 176.600 -0.046 0.000 0.993 404 E CA 2.458 58.879 56.400 0.035 0.000 0.819 404 E CB -0.220 29.500 29.700 0.033 0.000 0.745 404 E HN -0.540 7.823 8.360 0.062 0.034 0.477 405 N N -3.713 114.892 118.700 -0.157 0.000 2.251 405 N HA 0.200 4.732 4.740 -0.345 0.000 0.217 405 N C -1.786 173.527 175.510 -0.329 0.000 1.124 405 N CA 0.005 52.796 53.050 -0.432 0.000 0.843 405 N CB 1.071 38.857 38.487 -1.168 0.000 1.024 405 N HN -0.553 7.708 8.380 -0.134 0.039 0.501 406 F N 1.646 121.439 119.950 -0.260 0.000 2.536 406 F HA 0.701 5.220 4.527 -0.295 -0.169 0.322 406 F C -2.175 173.583 175.800 -0.071 0.000 1.144 406 F CA -1.216 56.648 58.000 -0.226 0.000 0.924 406 F CB 3.019 41.888 39.000 -0.219 0.000 1.181 406 F HN -0.545 7.738 8.300 0.083 0.067 0.438 407 T N 3.201 117.348 114.554 -0.679 0.000 2.864 407 T HA 0.639 5.153 4.350 0.100 -0.103 0.299 407 T C -1.960 172.571 174.700 -0.283 0.000 1.166 407 T CA -1.923 59.996 62.100 -0.301 0.000 1.007 407 T CB 3.817 72.328 68.868 -0.594 0.000 1.219 407 T HN 0.551 8.258 8.240 -0.889 0.000 0.506 408 I N -0.021 120.717 120.570 0.279 0.000 2.582 408 I HA 0.734 5.162 4.170 0.106 -0.194 0.292 408 I C -2.541 173.889 176.117 0.522 0.000 1.066 408 I CA -1.312 60.168 61.300 0.301 0.000 1.053 408 I CB 4.544 42.726 38.000 0.304 0.000 1.241 408 I HN 0.009 8.533 8.210 0.523 0.000 0.421 409 L N 6.708 128.126 121.223 0.326 0.000 2.325 409 L HA 0.611 5.127 4.340 0.065 -0.137 0.281 409 L C -2.395 174.541 176.870 0.111 0.000 1.004 409 L CA -1.533 53.391 54.840 0.139 0.000 0.823 409 L CB 3.520 45.594 42.059 0.026 0.000 1.236 409 L HN 0.502 8.874 8.230 0.236 0.000 0.415 410 Q N 6.298 126.154 119.800 0.092 0.000 2.322 410 Q HA 0.761 5.348 4.340 0.064 -0.209 0.265 410 Q C -1.117 174.850 176.000 -0.056 0.000 0.985 410 Q CA -1.591 54.250 55.803 0.064 0.000 0.849 410 Q CB 2.953 31.789 28.738 0.163 0.000 1.274 410 Q HN 0.851 9.156 8.270 0.059 0.000 0.449 411 V N 5.753 125.626 119.914 -0.069 0.000 2.407 411 V HA 0.403 4.544 4.120 -0.188 -0.134 0.291 411 V C -1.675 174.331 176.094 -0.146 0.000 1.018 411 V CA -1.157 61.063 62.300 -0.132 0.000 0.842 411 V CB 1.920 33.681 31.823 -0.103 0.000 0.996 411 V HN 0.594 8.761 8.190 -0.038 0.000 0.426 412 V N 9.001 128.785 119.914 -0.217 0.000 2.398 412 V HA 0.815 5.013 4.120 -0.242 -0.223 0.286 412 V C -0.572 175.369 176.094 -0.256 0.000 1.026 412 V CA -1.664 60.470 62.300 -0.277 0.000 0.868 412 V CB 1.583 33.132 31.823 -0.457 0.000 0.982 412 V HN 0.629 8.673 8.190 -0.244 0.000 0.443 413 T N 3.239 117.666 114.554 -0.212 0.000 2.916 413 T HA 0.607 4.953 4.350 -0.180 -0.104 0.292 413 T C -1.073 173.526 174.700 -0.169 0.000 1.055 413 T CA -2.616 59.381 62.100 -0.172 0.000 1.009 413 T CB 2.906 71.703 68.868 -0.119 0.000 1.118 413 T HN 0.683 8.805 8.240 -0.197 0.000 0.497 414 N N 2.322 120.937 118.700 -0.141 0.000 2.429 414 N HA -0.246 4.413 4.740 -0.135 0.000 0.271 414 N C 0.835 176.297 175.510 -0.080 0.000 1.272 414 N CA 0.550 53.531 53.050 -0.114 0.000 0.921 414 N CB 0.277 38.712 38.487 -0.086 0.000 1.128 414 N HN 0.058 8.359 8.380 -0.132 0.000 0.481 415 R N 7.810 128.267 120.500 -0.072 0.000 2.117 415 R HA -0.277 4.034 4.340 -0.048 0.000 0.243 415 R C 1.006 177.287 176.300 -0.031 0.000 1.143 415 R CA 2.790 58.862 56.100 -0.046 0.000 0.968 415 R CB -0.192 30.090 30.300 -0.031 0.000 0.863 415 R HN 0.353 8.575 8.270 -0.081 0.000 0.444 416 D N -3.200 117.184 120.400 -0.027 0.000 2.216 416 D HA 0.054 4.687 4.640 -0.012 0.000 0.208 416 D C 0.961 177.250 176.300 -0.018 0.000 0.960 416 D CA 2.324 56.315 54.000 -0.016 0.000 0.861 416 D CB 0.727 41.523 40.800 -0.007 0.000 0.985 416 D HN -0.421 8.131 8.370 -0.031 -0.201 0.493 417 T N -4.819 109.720 114.554 -0.025 0.000 3.037 417 T HA 0.014 4.353 4.350 -0.018 0.000 0.252 417 T C 0.943 175.627 174.700 -0.027 0.000 1.073 417 T CA 0.519 62.605 62.100 -0.023 0.000 1.091 417 T CB 1.927 70.781 68.868 -0.023 0.000 0.935 417 T HN -0.749 7.695 8.240 -0.031 -0.222 0.488 418 Q N -5.205 114.573 119.800 -0.037 0.000 2.424 418 Q HA -0.399 3.956 4.340 -0.045 -0.043 0.234 418 Q C -1.587 174.386 176.000 -0.044 0.000 0.748 418 Q CA 1.773 57.553 55.803 -0.039 0.000 1.286 418 Q CB -2.920 25.801 28.738 -0.028 0.000 1.494 418 Q HN 0.172 8.418 8.270 -0.041 0.000 0.683 419 E N -0.967 119.204 120.200 -0.048 0.000 2.360 419 E HA -0.136 4.189 4.350 -0.041 0.000 0.269 419 E C -0.719 175.833 176.600 -0.080 0.000 1.022 419 E CA -0.322 56.047 56.400 -0.052 0.000 0.887 419 E CB 0.696 30.370 29.700 -0.044 0.000 0.990 419 E HN -0.793 7.487 8.360 -0.047 0.052 0.426 420 L N 3.267 124.439 121.223 -0.085 0.000 2.410 420 L HA -0.212 4.039 4.340 -0.148 0.000 0.273 420 L C -0.942 175.829 176.870 -0.164 0.000 1.152 420 L CA 1.215 55.974 54.840 -0.136 0.000 0.855 420 L CB 0.371 42.350 42.059 -0.133 0.000 1.129 420 L HN 0.380 8.571 8.230 -0.065 0.000 0.463 421 L N 4.766 125.865 121.223 -0.206 0.000 2.388 421 L HA 0.102 4.352 4.340 -0.150 0.000 0.209 421 L C -0.689 176.045 176.870 -0.226 0.000 1.061 421 L CA 0.415 55.136 54.840 -0.198 0.000 0.834 421 L CB 1.241 43.162 42.059 -0.231 0.000 1.029 421 L HN 0.504 8.599 8.230 -0.224 0.000 0.473 422 L N -4.193 116.857 121.223 -0.289 0.000 2.611 422 L HA 0.326 4.672 4.340 -0.231 -0.145 0.260 422 L C -2.890 173.761 176.870 -0.365 0.000 0.924 422 L CA 0.182 54.858 54.840 -0.273 0.000 0.901 422 L CB 3.601 45.530 42.059 -0.217 0.000 1.369 422 L HN -0.782 7.264 8.230 -0.307 0.000 0.415 423 C N 7.137 126.142 119.300 -0.492 0.000 2.396 423 C HA 0.989 5.459 4.460 -0.368 -0.231 0.321 423 C C -1.776 173.027 174.990 -0.312 0.000 1.233 423 C CA -2.726 55.983 59.018 -0.515 0.000 1.440 423 C CB 2.415 29.556 27.740 -0.998 0.000 2.110 423 C HN 0.644 8.569 8.230 -0.508 0.000 0.473 424 T N 10.593 124.995 114.554 -0.252 0.000 2.841 424 T HA 0.566 4.970 4.350 -0.240 -0.199 0.285 424 T C -1.662 172.781 174.700 -0.428 0.000 0.991 424 T CA -0.797 61.101 62.100 -0.335 0.000 0.966 424 T CB 2.528 71.106 68.868 -0.482 0.000 0.962 424 T HN 0.645 8.753 8.240 -0.221 0.000 0.438 425 A N 6.338 128.911 122.820 -0.413 0.000 2.301 425 A HA 0.713 5.021 4.320 -0.260 -0.144 0.312 425 A C -2.073 175.337 177.584 -0.290 0.000 1.182 425 A CA -2.117 49.730 52.037 -0.317 0.000 0.826 425 A CB 2.515 21.290 19.000 -0.375 0.000 1.134 425 A HN 0.638 8.589 8.150 -0.332 0.000 0.501 426 Y N 1.698 122.077 120.300 0.131 0.000 2.364 426 Y HA 0.791 5.419 4.550 -0.193 -0.194 0.340 426 Y C -0.163 175.749 175.900 0.020 0.000 0.975 426 Y CA -1.469 56.610 58.100 -0.035 0.000 1.089 426 Y CB 2.921 41.407 38.460 0.043 0.000 1.192 426 Y HN 0.484 9.047 8.280 0.471 0.000 0.454 427 V N -5.054 114.809 119.914 -0.086 0.000 3.001 427 V HA 0.572 4.869 4.120 0.294 0.000 0.314 427 V C -2.272 173.685 176.094 -0.227 0.000 1.099 427 V CA -2.741 59.575 62.300 0.026 0.000 0.989 427 V CB 3.479 35.329 31.823 0.045 0.000 1.040 427 V HN 0.230 8.292 8.190 -0.213 0.000 0.434 428 F N -0.761 119.291 119.950 0.170 0.000 2.613 428 F HA 0.789 5.578 4.527 0.170 -0.159 0.314 428 F C -1.187 174.638 175.800 0.042 0.000 1.075 428 F CA -1.488 56.612 58.000 0.167 0.000 0.945 428 F CB 4.427 43.604 39.000 0.295 0.000 1.310 428 F HN 0.443 9.022 8.300 0.465 0.000 0.467 429 E N -0.804 119.501 120.200 0.175 0.000 2.433 429 E HA 0.529 5.062 4.350 0.159 -0.088 0.278 429 E C -2.039 174.694 176.600 0.221 0.000 0.976 429 E CA -2.041 54.431 56.400 0.120 0.000 0.793 429 E CB 4.739 34.407 29.700 -0.052 0.000 1.311 429 E HN -0.066 8.392 8.360 0.164 0.000 0.460 430 V N -1.440 118.618 119.914 0.240 0.000 2.567 430 V HA 0.458 4.877 4.120 0.295 -0.122 0.289 430 V C -0.967 175.351 176.094 0.374 0.000 1.049 430 V CA -1.628 60.837 62.300 0.275 0.000 0.969 430 V CB 1.161 33.096 31.823 0.186 0.000 0.995 430 V HN 0.126 8.738 8.190 0.209 -0.297 0.471 431 S N 3.777 119.710 115.700 0.388 0.000 2.585 431 S HA 0.073 4.801 4.470 0.430 0.000 0.273 431 S C 0.315 175.053 174.600 0.231 0.000 1.339 431 S CA -0.305 58.108 58.200 0.356 0.000 1.028 431 S CB 0.769 64.155 63.200 0.311 0.000 0.906 431 S HN 0.185 8.608 8.310 0.367 0.107 0.528 432 T N 0.180 114.834 114.554 0.167 0.000 2.791 432 T HA -0.003 4.420 4.350 0.123 0.000 0.323 432 T C 1.224 175.991 174.700 0.112 0.000 1.082 432 T CA -0.295 61.877 62.100 0.119 0.000 1.084 432 T CB 0.760 69.675 68.868 0.078 0.000 0.992 432 T HN -0.073 8.256 8.240 0.147 0.000 0.547 433 S N 0.816 116.570 115.700 0.091 0.000 2.402 433 S HA -0.287 4.247 4.470 0.107 0.000 0.229 433 S C 0.503 175.150 174.600 0.080 0.000 1.021 433 S CA 2.368 60.620 58.200 0.087 0.000 0.974 433 S CB -0.111 63.124 63.200 0.059 0.000 0.800 433 S HN 0.282 8.640 8.310 0.079 0.000 0.484 434 E N -1.722 118.515 120.200 0.062 0.000 2.442 434 E HA -0.022 4.358 4.350 0.050 0.000 0.195 434 E C 0.184 176.814 176.600 0.049 0.000 1.030 434 E CA -0.079 56.350 56.400 0.049 0.000 0.869 434 E CB -0.104 29.616 29.700 0.032 0.000 0.857 434 E HN -0.120 8.257 8.360 0.057 0.018 0.505 435 R N 0.523 121.058 120.500 0.058 0.000 2.407 435 R HA 0.180 4.541 4.340 0.035 0.000 0.303 435 R C 0.219 176.570 176.300 0.085 0.000 0.981 435 R CA -1.012 55.118 56.100 0.051 0.000 0.905 435 R CB 1.433 31.747 30.300 0.023 0.000 1.099 435 R HN -0.761 7.550 8.270 0.068 0.000 0.459 436 G N 0.652 109.494 108.800 0.070 0.000 2.588 436 G HA2 0.010 4.255 3.960 0.088 0.000 0.278 436 G HA3 0.010 3.997 3.960 0.045 0.000 0.278 436 G C -1.435 173.542 174.900 0.128 0.000 1.307 436 G CA -1.140 44.007 45.100 0.077 0.000 1.016 436 G HN 0.348 8.667 8.290 0.049 0.000 0.503 437 A N -1.386 121.517 122.820 0.138 0.000 2.406 437 A HA 0.333 5.056 4.320 0.316 -0.213 0.243 437 A C -0.342 177.423 177.584 0.302 0.000 1.082 437 A CA 0.432 52.619 52.037 0.250 0.000 0.786 437 A CB 0.980 20.101 19.000 0.202 0.000 1.029 437 A HN 0.246 8.442 8.150 0.076 0.000 0.495 438 Q N -1.370 118.710 119.800 0.466 0.000 2.630 438 Q HA 0.253 4.773 4.340 0.301 0.000 0.295 438 Q C -2.115 174.317 176.000 0.719 0.000 0.944 438 Q CA -1.012 55.033 55.803 0.403 0.000 0.766 438 Q CB 5.157 33.994 28.738 0.165 0.000 1.471 438 Q HN 0.001 8.630 8.270 0.598 0.000 0.416 439 H N -3.556 115.849 119.070 0.558 0.000 3.008 439 H HA 1.050 6.134 4.556 0.538 -0.205 0.354 439 H C -1.581 173.955 175.328 0.347 0.000 1.252 439 H CA -1.835 54.492 56.048 0.465 0.000 1.117 439 H CB 3.363 33.287 29.762 0.270 0.000 1.857 439 H HN 0.362 8.520 8.280 -0.204 0.000 0.547 440 H N 0.559 119.761 119.070 0.220 0.000 2.744 440 H HA 0.234 4.784 4.556 -0.010 0.000 0.339 440 H C -1.806 173.427 175.328 -0.159 0.000 1.004 440 H CA -0.698 55.358 56.048 0.014 0.000 1.257 440 H CB 1.764 31.552 29.762 0.043 0.000 1.552 440 H HN 0.465 8.917 8.280 0.287 0.000 0.522 441 I N 6.187 126.582 120.570 -0.291 0.000 2.353 441 I HA 0.136 4.400 4.170 -0.082 -0.143 0.293 441 I C -1.390 174.582 176.117 -0.241 0.000 0.992 441 I CA -0.395 60.804 61.300 -0.169 0.000 1.268 441 I CB 0.853 38.795 38.000 -0.097 0.000 1.387 441 I HN 0.260 8.213 8.210 -0.428 0.000 0.478 442 Y N 4.225 124.613 120.300 0.147 0.000 2.536 442 Y HA 0.328 5.067 4.550 0.154 -0.097 0.347 442 Y C -0.582 175.376 175.900 0.096 0.000 1.000 442 Y CA -1.922 56.260 58.100 0.136 0.000 1.051 442 Y CB 3.756 42.270 38.460 0.090 0.000 1.259 442 Y HN 0.659 9.096 8.280 0.262 0.000 0.468 443 R N 0.158 120.764 120.500 0.176 0.000 2.357 443 R HA 0.163 4.297 4.340 -0.342 0.000 0.296 443 R C -1.023 175.246 176.300 -0.051 0.000 1.052 443 R CA -0.360 55.681 56.100 -0.098 0.000 0.988 443 R CB 1.254 31.490 30.300 -0.106 0.000 1.025 443 R HN 0.420 8.812 8.270 0.202 0.000 0.469 444 L N 4.441 125.600 121.223 -0.107 0.000 2.281 444 L HA 0.426 4.917 4.340 -0.077 -0.197 0.285 444 L C -0.489 176.378 176.870 -0.006 0.000 1.074 444 L CA -0.475 54.338 54.840 -0.046 0.000 0.817 444 L CB 0.212 42.283 42.059 0.020 0.000 1.168 444 L HN -0.101 7.904 8.230 -0.198 0.106 0.434 445 V N -3.482 116.383 119.914 -0.081 0.000 3.113 445 V HA 0.915 5.081 4.120 0.076 0.000 0.316 445 V C -1.887 174.089 176.094 -0.196 0.000 1.125 445 V CA -3.652 58.621 62.300 -0.045 0.000 1.026 445 V CB 3.660 35.465 31.823 -0.030 0.000 1.080 445 V HN 0.038 8.154 8.190 -0.122 0.000 0.444 446 R N 0.000 120.428 120.500 -0.120 0.000 2.786 446 R HA 0.000 4.401 4.340 -0.225 -0.196 0.208 446 R CA 0.000 55.988 56.100 -0.187 0.000 0.921 446 R CB 0.000 30.088 30.300 -0.353 0.000 0.687 446 R HN 0.000 8.265 8.270 -0.008 0.000 0.535