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 3ps1_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIKQRTLKRI VQATGVGLHT GKKVTLTLRP APANTGVIYR RTDLNPPVDF DATA SEQUENCE PADAKSVRDT MLCTCLVNEH DVRISTVEHL NAALAGLGID NIVIEVNAPE DATA SEQUENCE IPIMDGSAAP FVYLLLDAGI DELNCAKKFV RIKETVRVED GDKWAEFKPY DATA SEQUENCE NGFSLDFTID FNHPAIDSSN QRYAMNFSAD AFMRQISRAR TFGFMRDIEY DATA SEQUENCE LQSRGLCLGG SFDCAIVVDD YRVLNEDGLR FEDEFVRHKM LDAIGDLFMC DATA SEQUENCE GHNIIGAFTA YKSGHALNNK LLQAVLAKQE AWEYVTFQDD AELPLAFKAP 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 1 M HA 0.000 4.554 4.480 0.124 0.000 0.227 1 M C 0.000 176.374 176.300 0.123 0.000 1.140 1 M CA 0.000 55.362 55.300 0.103 0.000 0.988 1 M CB 0.000 32.647 32.600 0.079 0.000 1.302 2 I N 5.285 125.965 120.570 0.184 0.000 2.505 2 I HA 0.041 4.312 4.170 0.169 0.000 0.287 2 I C -0.961 175.265 176.117 0.182 0.000 1.104 2 I CA -1.381 60.047 61.300 0.213 0.000 1.387 2 I CB -0.702 37.506 38.000 0.346 0.000 1.404 2 I HN 0.494 8.840 8.210 0.225 0.000 0.528 3 K N 7.016 127.492 120.400 0.127 0.000 2.123 3 K HA 0.500 5.017 4.320 0.075 -0.152 0.248 3 K C -0.377 176.259 176.600 0.059 0.000 0.969 3 K CA -1.406 54.930 56.287 0.081 0.000 0.882 3 K CB 1.797 34.332 32.500 0.058 0.000 1.080 3 K HN 0.168 8.490 8.250 0.121 0.000 0.441 4 Q N -0.617 119.197 119.800 0.023 0.000 2.454 4 Q HA -0.051 4.450 4.340 -0.021 -0.175 0.247 4 Q C 0.154 176.156 176.000 0.004 0.000 1.028 4 Q CA 0.809 56.608 55.803 -0.007 0.000 0.910 4 Q CB 1.216 29.936 28.738 -0.030 0.000 1.276 4 Q HN -0.219 8.062 8.270 0.019 0.000 0.489 5 R N -1.106 119.392 120.500 -0.003 0.000 2.750 5 R HA 0.817 5.326 4.340 0.012 -0.162 0.281 5 R C -0.907 175.391 176.300 -0.003 0.000 0.972 5 R CA -1.113 54.991 56.100 0.007 0.000 0.912 5 R CB 4.147 34.460 30.300 0.021 0.000 1.187 5 R HN 0.145 8.658 8.270 -0.014 -0.252 0.464 6 T N 0.253 114.807 114.554 -0.000 0.000 2.626 6 T HA 0.557 5.018 4.350 -0.010 -0.116 0.279 6 T C -1.680 173.021 174.700 0.003 0.000 0.983 6 T CA -2.989 59.107 62.100 -0.006 0.000 1.059 6 T CB 2.094 70.953 68.868 -0.014 0.000 1.396 6 T HN 0.259 8.502 8.240 0.004 0.000 0.519 7 L N -0.106 121.117 121.223 0.001 0.000 2.379 7 L HA 0.459 5.016 4.340 0.015 -0.209 0.269 7 L C 0.756 177.632 176.870 0.010 0.000 1.084 7 L CA -0.502 54.344 54.840 0.009 0.000 0.802 7 L CB 1.246 43.311 42.059 0.009 0.000 1.175 7 L HN 0.392 8.619 8.230 -0.006 0.000 0.448 8 K N 1.310 121.720 120.400 0.016 0.000 2.137 8 K HA -0.097 4.231 4.320 0.013 0.000 0.202 8 K C 0.108 176.717 176.600 0.015 0.000 1.052 8 K CA 1.800 58.096 56.287 0.016 0.000 0.961 8 K CB 0.932 33.443 32.500 0.020 0.000 0.741 8 K HN 0.074 8.336 8.250 0.020 0.000 0.452 9 R N -3.074 117.437 120.500 0.018 0.000 2.808 9 R HA 0.187 4.536 4.340 0.015 0.000 0.272 9 R C -1.607 174.705 176.300 0.019 0.000 0.995 9 R CA -1.608 54.503 56.100 0.018 0.000 0.917 9 R CB 3.385 33.697 30.300 0.021 0.000 1.217 9 R HN -0.618 7.665 8.270 0.021 0.000 0.471 10 I N 1.752 122.333 120.570 0.018 0.000 2.556 10 I HA 0.055 4.443 4.170 0.018 -0.207 0.284 10 I C 0.516 176.649 176.117 0.028 0.000 1.114 10 I CA 0.499 61.811 61.300 0.020 0.000 1.418 10 I CB 0.435 38.444 38.000 0.017 0.000 1.394 10 I HN 0.208 8.428 8.210 0.016 0.000 0.552 11 V N 3.163 123.099 119.914 0.036 0.000 3.074 11 V HA 0.655 4.800 4.120 0.041 0.000 0.314 11 V C -2.330 173.795 176.094 0.052 0.000 1.117 11 V CA -2.365 59.962 62.300 0.046 0.000 1.014 11 V CB 3.403 35.261 31.823 0.058 0.000 1.057 11 V HN 0.266 8.477 8.190 0.035 0.000 0.438 12 Q N -0.229 119.605 119.800 0.056 0.000 2.462 12 Q HA 1.040 5.605 4.340 0.072 -0.182 0.285 12 Q C -1.865 174.175 176.000 0.068 0.000 1.035 12 Q CA -1.382 54.459 55.803 0.062 0.000 0.799 12 Q CB 4.292 33.060 28.738 0.049 0.000 1.452 12 Q HN 0.089 8.391 8.270 0.052 0.000 0.404 13 A N -0.180 122.688 122.820 0.080 0.000 2.594 13 A HA 0.416 4.770 4.320 0.056 0.000 0.291 13 A C -2.783 174.844 177.584 0.072 0.000 1.105 13 A CA -0.182 51.899 52.037 0.074 0.000 0.694 13 A CB 3.553 22.607 19.000 0.091 0.000 1.291 13 A HN 0.634 8.837 8.150 0.088 0.000 0.410 14 T N 0.400 114.986 114.554 0.054 0.000 2.893 14 T HA 1.001 5.584 4.350 0.061 -0.196 0.291 14 T C 0.052 174.779 174.700 0.044 0.000 1.028 14 T CA -1.903 60.227 62.100 0.050 0.000 0.995 14 T CB 1.828 70.717 68.868 0.035 0.000 1.051 14 T HN 0.102 8.367 8.240 0.042 0.000 0.470 15 G N 3.850 112.680 108.800 0.050 0.000 2.579 15 G HA2 0.240 4.216 3.960 0.026 0.000 0.292 15 G HA3 0.240 4.227 3.960 0.045 0.000 0.292 15 G C -2.528 172.399 174.900 0.046 0.000 1.484 15 G CA 0.242 45.367 45.100 0.041 0.000 0.813 15 G HN -0.027 8.297 8.290 0.056 0.000 0.515 16 V N 0.639 120.573 119.914 0.033 0.000 2.715 16 V HA -0.015 4.317 4.120 0.030 -0.194 0.299 16 V C 0.478 176.598 176.094 0.042 0.000 1.054 16 V CA 0.233 62.550 62.300 0.030 0.000 1.077 16 V CB 0.831 32.662 31.823 0.013 0.000 0.972 16 V HN 0.269 8.474 8.190 0.024 0.000 0.484 17 G N 2.922 111.748 108.800 0.045 0.000 2.370 17 G HA2 0.155 4.156 3.960 0.068 0.000 0.272 17 G HA3 0.155 4.320 3.960 0.068 -0.165 0.272 17 G C -0.481 174.436 174.900 0.030 0.000 1.208 17 G CA -0.817 44.317 45.100 0.057 0.000 0.856 17 G HN -0.096 8.218 8.290 0.041 0.000 0.500 18 L N 6.623 127.846 121.223 -0.000 0.000 2.042 18 L HA -0.286 4.009 4.340 -0.075 0.000 0.210 18 L C 1.102 177.889 176.870 -0.140 0.000 1.076 18 L CA 2.819 57.600 54.840 -0.099 0.000 0.749 18 L CB 0.156 42.104 42.059 -0.186 0.000 0.893 18 L HN 0.541 8.813 8.230 0.018 -0.031 0.432 19 H N -2.614 116.445 119.070 -0.018 0.000 2.294 19 H HA -0.114 4.428 4.556 -0.023 0.000 0.306 19 H C 2.501 177.817 175.328 -0.020 0.000 1.065 19 H CA 4.619 60.654 56.048 -0.022 0.000 1.343 19 H CB 0.293 30.037 29.762 -0.029 0.000 1.396 19 H HN -0.303 8.460 8.280 0.075 -0.438 0.506 20 T N -3.730 110.897 114.554 0.123 0.000 3.014 20 T HA -0.143 4.241 4.350 0.057 0.000 0.263 20 T C 1.575 176.293 174.700 0.030 0.000 1.078 20 T CA 1.541 63.678 62.100 0.062 0.000 1.135 20 T CB 0.566 69.463 68.868 0.048 0.000 0.895 20 T HN -0.259 8.369 8.240 0.134 -0.307 0.480 21 G N 2.636 111.450 108.800 0.023 0.000 2.155 21 G HA2 -0.467 3.558 3.960 0.001 0.000 0.257 21 G HA3 -0.467 3.493 3.960 -0.001 0.000 0.257 21 G C -0.838 174.069 174.900 0.011 0.000 0.983 21 G CA 0.475 45.579 45.100 0.007 0.000 0.676 21 G HN -0.179 8.128 8.290 0.028 0.000 0.528 22 K N 0.626 121.038 120.400 0.020 0.000 2.095 22 K HA 0.188 4.517 4.320 0.015 0.000 0.252 22 K C -0.385 176.230 176.600 0.025 0.000 0.977 22 K CA -1.619 54.680 56.287 0.020 0.000 0.900 22 K CB 1.419 33.931 32.500 0.021 0.000 1.060 22 K HN -0.592 7.616 8.250 0.027 0.058 0.449 23 K N 1.559 121.972 120.400 0.023 0.000 2.412 23 K HA -0.178 4.159 4.320 0.028 0.000 0.284 23 K C -0.366 176.255 176.600 0.035 0.000 1.046 23 K CA 0.582 56.885 56.287 0.027 0.000 0.999 23 K CB 0.125 32.638 32.500 0.022 0.000 0.941 23 K HN 0.233 8.495 8.250 0.019 0.000 0.474 24 V N 8.461 128.402 119.914 0.045 0.000 2.459 24 V HA 0.179 4.444 4.120 0.049 -0.115 0.295 24 V C -0.876 175.255 176.094 0.061 0.000 1.029 24 V CA -1.334 60.999 62.300 0.055 0.000 0.874 24 V CB 2.850 34.714 31.823 0.068 0.000 0.985 24 V HN 0.587 8.698 8.190 0.048 0.107 0.438 25 T N 8.495 123.083 114.554 0.058 0.000 2.743 25 T HA 0.370 4.903 4.350 0.063 -0.145 0.292 25 T C -1.625 173.120 174.700 0.074 0.000 0.972 25 T CA 0.209 62.345 62.100 0.061 0.000 0.967 25 T CB 0.578 69.475 68.868 0.048 0.000 0.926 25 T HN 0.355 8.962 8.240 0.053 -0.336 0.459 26 L N 10.024 131.301 121.223 0.091 0.000 2.272 26 L HA 0.654 5.229 4.340 0.097 -0.176 0.289 26 L C -1.977 174.945 176.870 0.086 0.000 1.032 26 L CA -1.753 53.150 54.840 0.105 0.000 0.810 26 L CB 2.689 44.844 42.059 0.160 0.000 1.205 26 L HN 0.763 9.050 8.230 0.094 0.000 0.422 27 T N 9.696 124.290 114.554 0.066 0.000 2.809 27 T HA 0.485 5.034 4.350 0.054 -0.166 0.284 27 T C -1.403 173.317 174.700 0.033 0.000 0.992 27 T CA -0.498 61.632 62.100 0.049 0.000 0.957 27 T CB 1.433 70.324 68.868 0.038 0.000 0.942 27 T HN 0.574 8.852 8.240 0.063 0.000 0.439 28 L N 6.303 127.545 121.223 0.033 0.000 2.307 28 L HA 0.600 5.077 4.340 -0.013 -0.144 0.284 28 L C -1.164 175.709 176.870 0.004 0.000 1.023 28 L CA -1.133 53.713 54.840 0.009 0.000 0.810 28 L CB 1.206 43.280 42.059 0.025 0.000 1.231 28 L HN 0.541 8.798 8.230 0.044 0.000 0.423 29 R N 1.661 122.152 120.500 -0.015 0.000 2.686 29 R HA 0.567 4.906 4.340 -0.002 0.000 0.286 29 R C -2.644 173.644 176.300 -0.019 0.000 0.969 29 R CA -3.279 52.814 56.100 -0.012 0.000 0.898 29 R CB 1.620 31.913 30.300 -0.013 0.000 1.183 29 R HN 0.503 8.755 8.270 -0.031 0.000 0.456 30 P HA 0.050 4.461 4.420 -0.015 0.000 0.268 30 P C -1.013 176.274 177.300 -0.022 0.000 1.208 30 P CA -0.089 63.002 63.100 -0.014 0.000 0.777 30 P CB 0.446 32.143 31.700 -0.006 0.000 0.875 31 A N 1.949 124.753 122.820 -0.027 0.000 2.587 31 A HA 0.391 4.694 4.320 -0.028 0.000 0.293 31 A C -2.995 174.571 177.584 -0.030 0.000 1.087 31 A CA -2.567 49.451 52.037 -0.032 0.000 0.692 31 A CB 1.564 20.537 19.000 -0.046 0.000 1.291 31 A HN -0.153 7.981 8.150 -0.026 0.000 0.407 32 P HA 0.088 4.494 4.420 -0.022 0.000 0.275 32 P C -1.112 176.167 177.300 -0.034 0.000 1.266 32 P CA -0.994 62.090 63.100 -0.027 0.000 0.793 32 P CB 0.610 32.295 31.700 -0.025 0.000 1.074 33 A N -1.226 121.576 122.820 -0.031 0.000 2.531 33 A HA -0.341 4.043 4.320 -0.040 -0.088 0.236 33 A C 0.187 177.743 177.584 -0.047 0.000 1.062 33 A CA 1.428 53.443 52.037 -0.037 0.000 0.760 33 A CB 0.138 19.120 19.000 -0.029 0.000 0.995 33 A HN 0.033 8.167 8.150 -0.026 0.000 0.501 34 N N -2.454 116.210 118.700 -0.059 0.000 2.936 34 N HA -0.313 4.382 4.740 -0.074 0.000 0.236 34 N C 0.461 175.929 175.510 -0.069 0.000 0.930 34 N CA 2.455 55.466 53.050 -0.066 0.000 0.966 34 N CB -0.871 37.582 38.487 -0.056 0.000 1.090 34 N HN 0.364 9.049 8.380 -0.064 -0.343 0.592 35 T N -3.290 111.223 114.554 -0.068 0.000 3.023 35 T HA -0.115 4.199 4.350 -0.059 0.000 0.266 35 T C 0.346 174.993 174.700 -0.087 0.000 1.093 35 T CA 0.676 62.737 62.100 -0.066 0.000 1.129 35 T CB 0.849 69.684 68.868 -0.056 0.000 0.899 35 T HN -0.639 7.538 8.240 -0.064 0.024 0.491 36 G N 1.225 109.956 108.800 -0.115 0.000 2.642 36 G HA2 -0.309 3.685 3.960 -0.203 0.000 0.231 36 G HA3 -0.309 3.549 3.960 -0.169 0.000 0.231 36 G C -2.188 172.625 174.900 -0.144 0.000 1.338 36 G CA -0.470 44.533 45.100 -0.162 0.000 0.883 36 G HN -0.374 8.160 8.290 -0.112 -0.311 0.570 37 V N 1.312 121.126 119.914 -0.167 0.000 2.406 37 V HA 0.271 4.438 4.120 -0.169 -0.149 0.272 37 V C -0.759 175.258 176.094 -0.129 0.000 1.043 37 V CA -0.302 61.901 62.300 -0.162 0.000 0.915 37 V CB 0.631 32.364 31.823 -0.149 0.000 0.988 37 V HN 0.211 8.281 8.190 -0.200 0.000 0.466 38 I N 6.673 127.143 120.570 -0.167 0.000 2.418 38 I HA 0.300 4.481 4.170 0.018 0.000 0.287 38 I C -1.419 174.614 176.117 -0.140 0.000 1.008 38 I CA -2.768 58.489 61.300 -0.072 0.000 1.104 38 I CB 1.303 39.276 38.000 -0.045 0.000 1.264 38 I HN 0.342 8.428 8.210 -0.207 0.000 0.438 39 Y N 7.081 127.426 120.300 0.074 0.000 2.310 39 Y HA 0.398 5.139 4.550 0.055 -0.158 0.326 39 Y C -1.097 174.928 175.900 0.208 0.000 1.151 39 Y CA -0.482 57.677 58.100 0.099 0.000 1.195 39 Y CB 2.424 40.915 38.460 0.051 0.000 1.210 39 Y HN 0.158 8.660 8.280 0.370 0.000 0.483 40 R N 1.194 121.874 120.500 0.301 0.000 2.533 40 R HA 0.824 5.561 4.340 0.318 -0.206 0.288 40 R C -1.867 174.573 176.300 0.235 0.000 1.039 40 R CA -1.490 54.761 56.100 0.253 0.000 0.909 40 R CB 4.354 34.721 30.300 0.111 0.000 1.195 40 R HN 0.785 9.204 8.270 0.249 0.000 0.438 41 R N 7.150 127.821 120.500 0.285 0.000 2.254 41 R HA 0.567 5.170 4.340 0.157 -0.169 0.318 41 R C 0.271 176.644 176.300 0.122 0.000 1.031 41 R CA -0.410 55.810 56.100 0.200 0.000 0.905 41 R CB 1.522 31.977 30.300 0.258 0.000 1.050 41 R HN 0.299 8.787 8.270 0.363 0.000 0.456 42 T N 2.547 117.153 114.554 0.087 0.000 3.044 42 T HA 0.341 4.724 4.350 0.054 0.000 0.260 42 T C -0.129 174.600 174.700 0.048 0.000 1.019 42 T CA -0.523 61.613 62.100 0.059 0.000 0.921 42 T CB 0.242 69.138 68.868 0.048 0.000 1.053 42 T HN 0.386 8.677 8.240 0.084 0.000 0.533 43 D N 2.035 122.467 120.400 0.053 0.000 2.103 43 D HA -0.183 4.478 4.640 0.035 0.000 0.199 43 D C 0.072 176.395 176.300 0.038 0.000 0.978 43 D CA 1.773 55.797 54.000 0.041 0.000 0.829 43 D CB -1.082 39.741 40.800 0.038 0.000 0.981 43 D HN -0.141 8.267 8.370 0.063 0.000 0.464 44 L N 0.103 121.356 121.223 0.049 0.000 2.483 44 L HA -0.043 4.318 4.340 0.034 0.000 0.276 44 L C -0.711 176.177 176.870 0.030 0.000 1.213 44 L CA 0.204 55.069 54.840 0.041 0.000 0.843 44 L CB 0.688 42.781 42.059 0.057 0.000 1.107 44 L HN -0.606 7.661 8.230 0.062 0.000 0.487 45 N N 0.485 119.196 118.700 0.019 0.000 2.519 45 N HA 0.277 5.025 4.740 0.013 0.000 0.286 45 N C -1.907 173.606 175.510 0.005 0.000 1.079 45 N CA -2.466 50.591 53.050 0.012 0.000 0.878 45 N CB 1.147 39.640 38.487 0.010 0.000 1.375 45 N HN -0.033 8.357 8.380 0.017 0.000 0.514 46 P HA 0.490 4.912 4.420 0.003 0.000 0.272 46 P C -2.835 174.468 177.300 0.004 0.000 1.230 46 P CA -0.899 62.202 63.100 0.001 0.000 0.788 46 P CB -0.631 31.065 31.700 -0.006 0.000 0.949 47 P HA 0.068 4.732 4.420 0.032 -0.225 0.270 47 P C -1.544 175.748 177.300 -0.013 0.000 1.223 47 P CA -0.364 62.745 63.100 0.015 0.000 0.785 47 P CB 1.281 32.993 31.700 0.020 0.000 0.923 48 V N 1.338 121.243 119.914 -0.014 0.000 2.540 48 V HA 0.119 4.138 4.120 -0.169 0.000 0.302 48 V C -1.269 174.681 176.094 -0.240 0.000 1.035 48 V CA -1.054 61.152 62.300 -0.157 0.000 0.873 48 V CB 2.847 34.549 31.823 -0.201 0.000 0.992 48 V HN 0.005 8.220 8.190 0.042 0.000 0.428 49 D N 5.902 126.106 120.400 -0.328 0.000 2.177 49 D HA 0.325 5.069 4.640 -0.057 -0.138 0.247 49 D C -0.894 175.129 176.300 -0.462 0.000 1.063 49 D CA -0.739 53.125 54.000 -0.227 0.000 0.867 49 D CB 1.579 42.309 40.800 -0.117 0.000 1.168 49 D HN 0.233 8.418 8.370 -0.308 0.000 0.445 50 F N 2.212 122.188 119.950 0.043 0.000 2.564 50 F HA 0.390 4.925 4.527 0.013 0.000 0.368 50 F C -2.659 173.181 175.800 0.067 0.000 1.127 50 F CA -2.385 55.641 58.000 0.042 0.000 1.170 50 F CB 1.390 40.417 39.000 0.046 0.000 1.397 50 F HN 0.661 9.129 8.300 0.280 0.000 0.493 51 P HA -0.057 4.533 4.420 0.076 -0.125 0.267 51 P C -1.252 176.111 177.300 0.105 0.000 1.205 51 P CA -0.639 62.511 63.100 0.083 0.000 0.765 51 P CB 0.155 31.863 31.700 0.012 0.000 0.828 52 A N 3.989 126.872 122.820 0.105 0.000 2.484 52 A HA -0.186 4.188 4.320 0.091 0.000 0.268 52 A C -1.312 176.258 177.584 -0.023 0.000 1.114 52 A CA 1.120 53.198 52.037 0.069 0.000 0.780 52 A CB 0.428 19.475 19.000 0.077 0.000 1.061 52 A HN -0.129 8.079 8.150 0.096 0.000 0.505 53 D N 2.435 122.823 120.400 -0.020 0.000 2.947 53 D HA 0.041 4.696 4.640 -0.058 -0.049 0.224 53 D C -0.164 176.114 176.300 -0.037 0.000 1.230 53 D CA -0.871 53.107 54.000 -0.036 0.000 0.871 53 D CB 3.239 44.029 40.800 -0.015 0.000 1.671 53 D HN -0.404 7.961 8.370 -0.008 0.000 0.507 54 A N 5.354 128.143 122.820 -0.050 0.000 1.940 54 A HA -0.241 4.057 4.320 -0.037 0.000 0.219 54 A C 1.697 179.268 177.584 -0.021 0.000 1.176 54 A CA 2.889 54.902 52.037 -0.039 0.000 0.631 54 A CB 0.150 19.119 19.000 -0.052 0.000 0.814 54 A HN 0.645 8.758 8.150 -0.062 0.000 0.446 55 K N -3.518 116.871 120.400 -0.017 0.000 2.365 55 K HA -0.224 4.094 4.320 -0.004 0.000 0.199 55 K C 1.399 177.997 176.600 -0.004 0.000 1.045 55 K CA 2.422 58.705 56.287 -0.007 0.000 0.962 55 K CB -0.019 32.478 32.500 -0.005 0.000 0.759 55 K HN -0.415 8.065 8.250 -0.021 -0.243 0.469 56 S N -1.298 114.399 115.700 -0.005 0.000 2.575 56 S HA 0.006 4.482 4.470 0.010 0.000 0.215 56 S C -0.933 173.659 174.600 -0.014 0.000 0.966 56 S CA 0.252 58.455 58.200 0.005 0.000 0.911 56 S CB 0.623 63.841 63.200 0.030 0.000 0.780 56 S HN -0.579 7.565 8.310 -0.009 0.161 0.514 57 V N 2.801 122.699 119.914 -0.028 0.000 2.732 57 V HA 0.027 4.262 4.120 -0.078 -0.162 0.297 57 V C -0.287 175.783 176.094 -0.040 0.000 1.060 57 V CA 0.860 63.130 62.300 -0.051 0.000 1.038 57 V CB 0.669 32.466 31.823 -0.043 0.000 1.003 57 V HN -1.033 7.091 8.190 -0.021 0.053 0.481 58 R N 3.772 124.234 120.500 -0.064 0.000 2.621 58 R HA 0.367 4.693 4.340 -0.023 0.000 0.284 58 R C -2.446 173.816 176.300 -0.063 0.000 0.998 58 R CA -2.699 53.374 56.100 -0.046 0.000 0.895 58 R CB 3.657 33.930 30.300 -0.045 0.000 1.195 58 R HN 0.329 8.543 8.270 -0.093 0.000 0.450 59 D N 3.210 123.596 120.400 -0.023 0.000 2.441 59 D HA 0.063 4.660 4.640 -0.072 0.000 0.221 59 D C 0.077 176.376 176.300 -0.003 0.000 1.156 59 D CA -0.835 53.157 54.000 -0.012 0.000 0.896 59 D CB 0.517 41.362 40.800 0.074 0.000 1.028 59 D HN 0.230 8.599 8.370 -0.000 0.000 0.509 60 T N 0.927 115.463 114.554 -0.031 0.000 2.816 60 T HA 0.125 4.478 4.350 0.004 0.000 0.282 60 T C 0.164 174.886 174.700 0.036 0.000 0.993 60 T CA -1.356 60.743 62.100 -0.002 0.000 0.994 60 T CB 0.843 69.701 68.868 -0.017 0.000 1.025 60 T HN -0.353 7.845 8.240 -0.070 0.000 0.529 61 M N 0.157 119.789 119.600 0.054 0.000 2.106 61 M HA -0.257 4.261 4.480 0.063 0.000 0.259 61 M C -1.007 175.333 176.300 0.067 0.000 1.068 61 M CA 3.054 58.394 55.300 0.066 0.000 1.100 61 M CB 0.009 32.654 32.600 0.074 0.000 1.351 61 M HN 0.114 8.434 8.290 0.051 0.000 0.404 62 L N -1.590 119.683 121.223 0.082 0.000 2.262 62 L HA 0.134 4.478 4.340 0.007 0.000 0.288 62 L C -0.572 176.308 176.870 0.017 0.000 1.035 62 L CA -0.725 54.135 54.840 0.032 0.000 0.820 62 L CB -0.995 41.035 42.059 -0.048 0.000 1.204 62 L HN -0.260 8.045 8.230 0.124 0.000 0.424 63 C N 1.526 120.820 119.300 -0.010 0.000 0.168 63 C HA -0.365 4.126 4.460 -0.050 -0.061 0.017 63 C C -0.591 174.231 174.990 -0.280 0.000 0.171 63 C CA 1.882 60.830 59.018 -0.116 0.000 0.499 63 C CB -0.914 26.735 27.740 -0.153 0.000 3.212 63 C HN 1.037 9.284 8.230 0.029 0.000 1.118 64 T N -1.598 112.739 114.554 -0.362 0.000 2.804 64 T HA 0.413 4.678 4.350 -0.273 -0.079 0.290 64 T C -1.820 172.728 174.700 -0.253 0.000 1.099 64 T CA -1.444 60.449 62.100 -0.345 0.000 1.011 64 T CB 3.149 71.730 68.868 -0.477 0.000 1.291 64 T HN -0.180 8.081 8.240 -0.338 -0.224 0.523 65 C N -3.165 115.996 119.300 -0.233 0.000 3.288 65 C HA 0.851 5.239 4.460 -0.307 -0.112 0.318 65 C C -2.475 172.368 174.990 -0.245 0.000 1.356 65 C CA -3.170 55.694 59.018 -0.258 0.000 1.359 65 C CB 3.505 31.110 27.740 -0.225 0.000 1.688 65 C HN 0.239 8.344 8.230 -0.209 0.000 0.467 66 L N -0.139 120.895 121.223 -0.316 0.000 2.331 66 L HA 0.826 5.262 4.340 -0.137 -0.179 0.275 66 L C -0.589 176.185 176.870 -0.160 0.000 1.022 66 L CA -1.653 53.056 54.840 -0.218 0.000 0.812 66 L CB 2.658 44.579 42.059 -0.229 0.000 1.257 66 L HN 0.284 8.263 8.230 -0.418 0.000 0.435 67 V N -3.552 116.385 119.914 0.038 0.000 2.960 67 V HA 1.011 5.459 4.120 0.203 -0.207 0.315 67 V C -1.809 174.443 176.094 0.262 0.000 1.087 67 V CA -3.248 59.147 62.300 0.159 0.000 0.982 67 V CB 3.277 35.139 31.823 0.065 0.000 1.039 67 V HN 0.056 8.271 8.190 0.040 0.000 0.437 68 N N 2.459 121.314 118.700 0.259 0.000 2.643 68 N HA 0.240 4.988 4.740 0.013 0.000 0.305 68 N C 1.287 176.765 175.510 -0.053 0.000 1.283 68 N CA -1.882 51.185 53.050 0.028 0.000 0.946 68 N CB 1.781 40.167 38.487 -0.169 0.000 1.149 68 N HN -0.222 8.352 8.380 0.324 0.000 0.600 69 E N -1.135 118.943 120.200 -0.204 0.000 2.267 69 E HA -0.238 4.006 4.350 -0.177 0.000 0.197 69 E C 0.434 176.868 176.600 -0.275 0.000 0.998 69 E CA 2.854 59.076 56.400 -0.297 0.000 0.830 69 E CB -0.655 28.749 29.700 -0.494 0.000 0.751 69 E HN 0.390 8.600 8.360 -0.249 0.000 0.491 70 H N -2.042 117.031 119.070 0.004 0.000 2.542 70 H HA 0.203 4.762 4.556 0.005 0.000 0.283 70 H C -1.204 174.139 175.328 0.024 0.000 1.059 70 H CA -0.882 55.171 56.048 0.008 0.000 1.162 70 H CB 0.496 30.257 29.762 -0.002 0.000 1.539 70 H HN -0.597 7.811 8.280 -0.130 -0.205 0.543 71 D N -4.867 115.599 120.400 0.111 0.000 3.076 71 D HA -0.425 4.260 4.640 0.075 0.000 0.218 71 D C -0.871 175.493 176.300 0.106 0.000 1.156 71 D CA 2.248 56.302 54.000 0.089 0.000 0.921 71 D CB -1.593 39.245 40.800 0.063 0.000 1.113 71 D HN -0.259 8.122 8.370 0.074 0.033 0.418 72 V N -0.822 119.189 119.914 0.162 0.000 2.811 72 V HA -0.141 4.057 4.120 0.131 0.000 0.302 72 V C -1.154 175.097 176.094 0.261 0.000 1.063 72 V CA 0.869 63.287 62.300 0.197 0.000 1.088 72 V CB 0.782 32.748 31.823 0.237 0.000 0.982 72 V HN -0.484 7.975 8.190 0.177 -0.164 0.485 73 R N 2.801 123.355 120.500 0.089 0.000 2.854 73 R HA 0.959 5.399 4.340 -0.183 -0.210 0.271 73 R C -1.448 174.562 176.300 -0.483 0.000 0.996 73 R CA -2.017 53.979 56.100 -0.173 0.000 0.961 73 R CB 3.927 34.129 30.300 -0.164 0.000 1.182 73 R HN 0.046 8.354 8.270 0.063 0.000 0.479 74 I N 0.728 120.800 120.570 -0.829 0.000 2.498 74 I HA 0.665 4.735 4.170 -0.456 -0.173 0.290 74 I C -2.382 173.451 176.117 -0.473 0.000 1.032 74 I CA -2.062 58.836 61.300 -0.670 0.000 1.073 74 I CB 3.480 40.948 38.000 -0.886 0.000 1.251 74 I HN 0.206 7.881 8.210 -0.891 0.000 0.426 75 S N 9.293 124.803 115.700 -0.316 0.000 2.664 75 S HA 0.693 5.116 4.470 -0.271 -0.115 0.304 75 S C -0.496 173.995 174.600 -0.181 0.000 1.099 75 S CA -0.954 57.103 58.200 -0.239 0.000 1.003 75 S CB 2.305 65.385 63.200 -0.201 0.000 1.092 75 S HN 0.337 8.489 8.310 -0.262 0.000 0.525 76 T N 0.326 114.782 114.554 -0.164 0.000 4.056 76 T HA -0.337 4.002 4.350 -0.218 -0.120 0.356 76 T C -0.017 174.546 174.700 -0.229 0.000 0.757 76 T CA 1.709 63.706 62.100 -0.172 0.000 1.949 76 T CB -2.452 66.382 68.868 -0.057 0.000 1.834 76 T HN 0.874 9.013 8.240 -0.167 0.000 0.846 77 V N -7.006 112.712 119.914 -0.327 0.000 3.506 77 V HA 0.057 3.977 4.120 -0.334 0.000 0.263 77 V C 0.882 176.837 176.094 -0.232 0.000 1.203 77 V CA 1.729 63.791 62.300 -0.397 0.000 1.133 77 V CB 0.463 31.795 31.823 -0.818 0.000 0.802 77 V HN -0.348 7.633 8.190 -0.349 0.000 0.459 78 E N 0.790 120.860 120.200 -0.216 0.000 2.152 78 E HA -0.327 4.005 4.350 -0.030 0.000 0.192 78 E C 1.011 177.678 176.600 0.111 0.000 0.983 78 E CA 2.898 59.258 56.400 -0.067 0.000 0.818 78 E CB -1.199 28.459 29.700 -0.070 0.000 0.758 78 E HN 0.559 8.705 8.360 -0.285 0.043 0.467 79 H N -0.109 119.009 119.070 0.080 0.000 2.363 79 H HA -0.162 4.507 4.556 0.188 0.000 0.301 79 H C 1.882 177.276 175.328 0.110 0.000 1.074 79 H CA 1.725 57.882 56.048 0.182 0.000 1.354 79 H CB 0.203 30.168 29.762 0.338 0.000 1.397 79 H HN -0.220 8.012 8.280 -0.079 0.000 0.516 80 L N -1.080 120.071 121.223 -0.120 0.000 2.046 80 L HA -0.315 3.612 4.340 -0.688 0.000 0.208 80 L C 0.830 177.660 176.870 -0.067 0.000 1.077 80 L CA 2.525 57.064 54.840 -0.502 0.000 0.747 80 L CB -0.429 41.150 42.059 -0.801 0.000 0.896 80 L HN -0.143 7.987 8.230 -0.166 0.000 0.432 81 N N -1.289 117.451 118.700 0.067 0.000 2.166 81 N HA -0.395 4.484 4.740 0.232 0.000 0.186 81 N C 1.777 177.346 175.510 0.099 0.000 1.019 81 N CA 3.602 56.760 53.050 0.180 0.000 0.856 81 N CB 0.167 38.783 38.487 0.216 0.000 0.993 81 N HN -0.248 8.164 8.380 0.053 0.000 0.426 82 A N -0.208 122.675 122.820 0.106 0.000 1.933 82 A HA -0.319 3.983 4.320 -0.030 0.000 0.218 82 A C 1.486 178.965 177.584 -0.176 0.000 1.175 82 A CA 3.012 55.075 52.037 0.043 0.000 0.628 82 A CB -0.618 18.547 19.000 0.275 0.000 0.814 82 A HN -0.336 7.813 8.150 0.158 0.096 0.444 83 A N -1.433 121.426 122.820 0.064 0.000 1.930 83 A HA -0.261 4.135 4.320 0.128 0.000 0.217 83 A C 2.029 179.533 177.584 -0.133 0.000 1.175 83 A CA 2.851 54.934 52.037 0.076 0.000 0.627 83 A CB -0.861 18.310 19.000 0.284 0.000 0.815 83 A HN -0.606 7.555 8.150 0.162 0.086 0.443 84 L N -2.155 118.978 121.223 -0.150 0.000 2.017 84 L HA -0.467 3.801 4.340 -0.120 0.000 0.208 84 L C 2.261 178.797 176.870 -0.557 0.000 1.073 84 L CA 2.930 57.644 54.840 -0.210 0.000 0.745 84 L CB -0.605 41.440 42.059 -0.024 0.000 0.894 84 L HN -0.371 7.806 8.230 -0.089 0.000 0.432 85 A N -1.614 120.621 122.820 -0.975 0.000 1.877 85 A HA -0.287 2.962 4.320 -1.785 0.000 0.216 85 A C 2.786 180.125 177.584 -0.409 0.000 1.186 85 A CA 2.808 54.128 52.037 -1.195 0.000 0.620 85 A CB -0.881 17.534 19.000 -0.975 0.000 0.822 85 A HN -0.406 7.254 8.150 -0.818 0.000 0.443 86 G N -1.321 107.176 108.800 -0.505 0.000 2.440 86 G HA2 -0.293 3.550 3.960 -0.196 0.000 0.218 86 G HA3 -0.293 3.113 3.960 -0.924 0.000 0.218 86 G C 0.970 175.812 174.900 -0.097 0.000 1.154 86 G CA 1.816 46.649 45.100 -0.446 0.000 0.767 86 G HN -0.267 7.575 8.290 -0.746 0.000 0.552 87 L N -2.695 118.469 121.223 -0.099 0.000 2.592 87 L HA 0.041 4.395 4.340 0.024 0.000 0.227 87 L C -0.087 176.787 176.870 0.007 0.000 1.127 87 L CA -0.485 54.349 54.840 -0.009 0.000 0.884 87 L CB -0.107 41.953 42.059 0.003 0.000 1.065 87 L HN -0.592 7.541 8.230 -0.162 0.000 0.457 88 G N -0.889 107.892 108.800 -0.031 0.000 2.246 88 G HA2 -0.357 3.585 3.960 -0.031 0.000 0.273 88 G HA3 -0.357 3.646 3.960 0.071 0.000 0.273 88 G C 0.023 174.921 174.900 -0.002 0.000 1.055 88 G CA 0.403 45.505 45.100 0.002 0.000 0.851 88 G HN -0.544 7.516 8.290 -0.101 0.170 0.500 89 I N -0.634 119.920 120.570 -0.025 0.000 2.452 89 I HA -0.190 3.988 4.170 0.014 0.000 0.287 89 I C -1.293 174.877 176.117 0.089 0.000 1.079 89 I CA -1.015 60.297 61.300 0.019 0.000 1.387 89 I CB -2.016 35.989 38.000 0.008 0.000 1.404 89 I HN -0.346 7.816 8.210 -0.080 0.000 0.522 90 D N 5.212 125.627 120.400 0.025 0.000 2.323 90 D HA 0.125 4.767 4.640 0.004 0.000 0.218 90 D C -0.667 175.587 176.300 -0.077 0.000 0.973 90 D CA 1.862 55.845 54.000 -0.028 0.000 0.890 90 D CB 2.099 42.849 40.800 -0.083 0.000 1.011 90 D HN 0.060 8.431 8.370 0.002 0.000 0.499 91 N N -1.862 116.803 118.700 -0.058 0.000 2.346 91 N HA 0.441 5.215 4.740 -0.094 -0.090 0.289 91 N C -1.937 173.537 175.510 -0.061 0.000 1.027 91 N CA -0.503 52.504 53.050 -0.072 0.000 0.864 91 N CB 3.401 41.849 38.487 -0.065 0.000 1.370 91 N HN -0.560 7.796 8.380 -0.040 0.000 0.481 92 I N 2.050 122.570 120.570 -0.083 0.000 2.800 92 I HA 0.437 4.698 4.170 -0.067 -0.131 0.294 92 I C -3.186 172.857 176.117 -0.123 0.000 1.538 92 I CA -0.346 60.900 61.300 -0.089 0.000 1.010 92 I CB 4.104 42.050 38.000 -0.091 0.000 1.381 92 I HN 0.523 8.675 8.210 -0.098 0.000 0.462 93 V N 6.966 126.819 119.914 -0.102 0.000 2.417 93 V HA 0.512 4.721 4.120 -0.135 -0.170 0.291 93 V C -1.460 174.563 176.094 -0.119 0.000 1.024 93 V CA -1.389 60.846 62.300 -0.108 0.000 0.861 93 V CB 2.211 33.999 31.823 -0.058 0.000 0.985 93 V HN -0.049 8.095 8.190 -0.077 0.000 0.436 94 I N 8.304 128.766 120.570 -0.179 0.000 2.382 94 I HA 0.411 4.664 4.170 -0.098 -0.142 0.285 94 I C -1.716 174.388 176.117 -0.022 0.000 1.007 94 I CA -1.081 60.128 61.300 -0.152 0.000 1.142 94 I CB 1.488 39.262 38.000 -0.376 0.000 1.289 94 I HN 0.818 8.898 8.210 -0.217 0.000 0.453 95 E N 7.363 127.577 120.200 0.022 0.000 2.179 95 E HA 0.875 5.488 4.350 0.081 -0.215 0.275 95 E C -0.729 175.917 176.600 0.077 0.000 0.945 95 E CA -2.053 54.383 56.400 0.060 0.000 0.792 95 E CB 2.945 32.672 29.700 0.044 0.000 1.125 95 E HN 0.467 8.835 8.360 0.014 0.000 0.397 96 V N -2.550 117.418 119.914 0.090 0.000 2.789 96 V HA 0.888 5.275 4.120 0.076 -0.222 0.311 96 V C -1.028 175.108 176.094 0.070 0.000 1.073 96 V CA -3.526 58.822 62.300 0.080 0.000 0.921 96 V CB 3.553 35.426 31.823 0.083 0.000 1.009 96 V HN 0.361 8.613 8.190 0.103 0.000 0.426 97 N N 3.399 122.134 118.700 0.058 0.000 2.623 97 N HA 0.032 4.875 4.740 0.051 -0.072 0.263 97 N C -1.574 173.962 175.510 0.044 0.000 1.218 97 N CA -1.463 51.616 53.050 0.049 0.000 0.949 97 N CB -1.634 36.878 38.487 0.041 0.000 1.270 97 N HN -0.042 8.373 8.380 0.058 0.000 0.507 98 A N -1.402 121.445 122.820 0.046 0.000 2.564 98 A HA 0.294 4.731 4.320 0.030 -0.098 0.291 98 A C -2.555 175.041 177.584 0.021 0.000 1.102 98 A CA -1.419 50.639 52.037 0.034 0.000 0.660 98 A CB 0.163 19.185 19.000 0.036 0.000 1.283 98 A HN -0.894 7.191 8.150 0.053 0.096 0.430 99 P HA 0.139 4.532 4.420 -0.045 0.000 0.245 99 P C -1.809 175.440 177.300 -0.084 0.000 1.212 99 P CA 0.656 63.727 63.100 -0.049 0.000 0.774 99 P CB 0.521 32.180 31.700 -0.068 0.000 0.999 100 E N -6.386 113.795 120.200 -0.031 0.000 2.412 100 E HA 0.313 4.765 4.350 -0.076 -0.147 0.279 100 E C -1.576 175.038 176.600 0.024 0.000 0.984 100 E CA -2.383 54.005 56.400 -0.020 0.000 0.788 100 E CB 2.786 32.519 29.700 0.054 0.000 1.277 100 E HN -0.678 7.614 8.360 -0.001 0.067 0.455 101 I N 0.187 120.769 120.570 0.019 0.000 2.588 101 I HA 0.143 4.373 4.170 0.100 0.000 0.283 101 I C -1.158 175.042 176.117 0.137 0.000 1.119 101 I CA -3.242 58.106 61.300 0.082 0.000 1.419 101 I CB -0.937 37.090 38.000 0.044 0.000 1.394 101 I HN -0.114 8.081 8.210 -0.025 0.000 0.562 102 P HA -0.070 4.541 4.420 0.126 -0.116 0.266 102 P C -0.898 176.541 177.300 0.232 0.000 1.195 102 P CA -0.541 62.664 63.100 0.175 0.000 0.768 102 P CB 0.656 32.454 31.700 0.165 0.000 0.838 103 I N 4.608 125.267 120.570 0.148 0.000 2.761 103 I HA -0.178 4.127 4.170 0.224 0.000 0.261 103 I C 0.511 176.705 176.117 0.127 0.000 1.198 103 I CA -0.462 60.934 61.300 0.159 0.000 1.482 103 I CB 0.800 38.846 38.000 0.078 0.000 1.100 103 I HN -0.222 8.050 8.210 0.103 0.000 0.445 104 M N -3.699 115.930 119.600 0.048 0.000 7.319 104 M HA -0.494 3.958 4.480 -0.047 0.000 0.311 104 M C -0.336 175.946 176.300 -0.030 0.000 0.480 104 M CA 2.238 57.508 55.300 -0.049 0.000 1.311 104 M CB -2.553 29.905 32.600 -0.238 0.000 0.421 104 M HN -0.073 8.223 8.290 0.058 0.029 0.799 105 D N -0.584 119.782 120.400 -0.055 0.000 2.328 105 D HA 0.014 4.858 4.640 -0.023 -0.218 0.221 105 D C 1.321 177.610 176.300 -0.017 0.000 1.072 105 D CA -0.833 53.147 54.000 -0.033 0.000 0.850 105 D CB 0.314 41.087 40.800 -0.046 0.000 0.922 105 D HN 0.142 8.454 8.370 -0.097 0.000 0.516 106 G N -1.192 107.620 108.800 0.021 0.000 2.195 106 G HA2 -0.384 3.647 3.960 0.118 0.000 0.246 106 G HA3 -0.384 3.701 3.960 -0.017 -0.135 0.246 106 G C -0.342 174.544 174.900 -0.024 0.000 0.984 106 G CA 0.600 45.722 45.100 0.035 0.000 0.633 106 G HN -0.051 8.201 8.290 0.044 0.065 0.525 107 S N -0.200 115.492 115.700 -0.012 0.000 2.795 107 S HA 0.540 5.058 4.470 -0.063 -0.086 0.308 107 S C -0.952 173.688 174.600 0.067 0.000 1.098 107 S CA -1.805 56.382 58.200 -0.022 0.000 0.934 107 S CB 2.711 65.907 63.200 -0.006 0.000 1.300 107 S HN -0.497 8.038 8.310 -0.010 -0.231 0.566 108 A N -2.449 120.433 122.820 0.104 0.000 2.303 108 A HA 0.154 4.825 4.320 0.584 0.000 0.217 108 A C 0.860 178.558 177.584 0.190 0.000 1.205 108 A CA 0.432 52.662 52.037 0.322 0.000 0.875 108 A CB 0.376 19.608 19.000 0.386 0.000 0.910 108 A HN 0.147 8.318 8.150 0.035 0.000 0.501 109 A N 0.493 123.333 122.820 0.034 0.000 1.908 109 A HA -0.143 4.151 4.320 -0.043 0.000 0.218 109 A C -1.467 176.155 177.584 0.063 0.000 1.181 109 A CA 4.392 56.434 52.037 0.009 0.000 0.627 109 A CB -2.685 16.341 19.000 0.043 0.000 0.818 109 A HN -0.434 7.723 8.150 0.011 0.000 0.445 110 P HA -0.145 4.384 4.420 0.182 0.000 0.220 110 P C 1.170 178.438 177.300 -0.053 0.000 1.148 110 P CA 2.622 65.693 63.100 -0.049 0.000 0.803 110 P CB -0.317 31.198 31.700 -0.308 0.000 0.782 111 F N -3.665 116.374 119.950 0.148 0.000 2.325 111 F HA -0.196 4.406 4.527 0.125 0.000 0.299 111 F C 2.033 177.888 175.800 0.091 0.000 1.090 111 F CA 2.989 61.065 58.000 0.127 0.000 1.392 111 F CB -0.851 38.231 39.000 0.138 0.000 1.053 111 F HN -0.569 7.595 8.300 -0.202 0.015 0.521 112 V N 0.881 120.907 119.914 0.187 0.000 2.295 112 V HA -0.590 3.584 4.120 0.090 0.000 0.246 112 V C 1.690 177.757 176.094 -0.046 0.000 1.049 112 V CA 4.722 67.032 62.300 0.017 0.000 1.024 112 V CB -0.165 31.559 31.823 -0.165 0.000 0.648 112 V HN -0.811 7.379 8.190 0.162 0.097 0.447 113 Y N -2.638 117.712 120.300 0.082 0.000 2.242 113 Y HA -0.356 4.225 4.550 0.052 0.000 0.291 113 Y C 2.302 178.242 175.900 0.065 0.000 1.137 113 Y CA 3.907 62.040 58.100 0.054 0.000 1.181 113 Y CB -0.704 37.769 38.460 0.022 0.000 0.989 113 Y HN -0.817 7.452 8.280 -0.018 0.000 0.527 114 L N -0.038 121.325 121.223 0.233 0.000 2.046 114 L HA -0.231 4.205 4.340 0.159 0.000 0.208 114 L C 1.628 178.585 176.870 0.145 0.000 1.077 114 L CA 2.543 57.492 54.840 0.182 0.000 0.747 114 L CB -0.348 41.840 42.059 0.214 0.000 0.896 114 L HN -0.677 7.699 8.230 0.244 0.000 0.432 115 L N -2.572 118.736 121.223 0.141 0.000 2.093 115 L HA -0.480 3.914 4.340 0.089 0.000 0.208 115 L C 2.373 179.289 176.870 0.077 0.000 1.085 115 L CA 2.953 57.852 54.840 0.097 0.000 0.755 115 L CB -0.410 41.701 42.059 0.088 0.000 0.904 115 L HN -0.375 7.952 8.230 0.161 0.000 0.435 116 L N -1.680 119.592 121.223 0.082 0.000 2.083 116 L HA -0.494 3.881 4.340 0.058 0.000 0.209 116 L C 2.403 179.320 176.870 0.079 0.000 1.083 116 L CA 2.743 57.627 54.840 0.074 0.000 0.752 116 L CB -0.624 41.484 42.059 0.082 0.000 0.899 116 L HN -0.442 7.841 8.230 0.088 0.000 0.433 117 D N -1.488 118.969 120.400 0.095 0.000 2.149 117 D HA -0.259 4.425 4.640 0.073 0.000 0.198 117 D C 1.991 178.328 176.300 0.060 0.000 0.990 117 D CA 3.364 57.411 54.000 0.078 0.000 0.839 117 D CB -0.346 40.504 40.800 0.083 0.000 0.948 117 D HN -0.367 8.071 8.370 0.114 0.000 0.460 118 A N -3.933 118.923 122.820 0.060 0.000 2.067 118 A HA -0.001 4.344 4.320 0.043 0.000 0.217 118 A C -0.085 177.522 177.584 0.038 0.000 1.156 118 A CA 0.728 52.793 52.037 0.046 0.000 0.683 118 A CB 0.363 19.391 19.000 0.045 0.000 0.808 118 A HN -0.857 7.217 8.150 0.069 0.117 0.455 119 G N -3.439 105.386 108.800 0.042 0.000 2.755 119 G HA2 -0.324 3.659 3.960 0.038 0.000 0.686 119 G HA3 -0.324 3.656 3.960 0.033 0.000 0.686 119 G C -2.425 172.494 174.900 0.031 0.000 1.427 119 G CA -0.579 44.543 45.100 0.036 0.000 0.873 119 G HN -0.712 7.470 8.290 0.048 0.136 0.580 120 I N 0.946 121.534 120.570 0.030 0.000 2.354 120 I HA 0.406 4.751 4.170 0.025 -0.160 0.292 120 I C -1.084 175.048 176.117 0.025 0.000 0.989 120 I CA -1.234 60.082 61.300 0.028 0.000 1.188 120 I CB 2.214 40.234 38.000 0.032 0.000 1.342 120 I HN 0.063 8.292 8.210 0.032 0.000 0.457 121 D N 9.016 129.429 120.400 0.020 0.000 2.408 121 D HA 0.237 4.889 4.640 0.020 0.000 0.243 121 D C -1.410 174.901 176.300 0.018 0.000 1.075 121 D CA -1.556 52.455 54.000 0.018 0.000 0.832 121 D CB 2.803 43.611 40.800 0.013 0.000 1.162 121 D HN 0.498 8.878 8.370 0.018 0.000 0.515 122 E N 4.014 124.228 120.200 0.022 0.000 2.289 122 E HA 0.219 4.734 4.350 0.025 -0.150 0.278 122 E C -0.423 176.188 176.600 0.018 0.000 1.032 122 E CA -0.166 56.249 56.400 0.024 0.000 0.854 122 E CB 0.988 30.708 29.700 0.033 0.000 1.046 122 E HN 0.267 8.641 8.360 0.023 0.000 0.409 123 L N 3.969 125.200 121.223 0.014 0.000 2.344 123 L HA 0.279 4.623 4.340 0.007 0.000 0.272 123 L C -0.115 176.762 176.870 0.012 0.000 1.035 123 L CA -1.557 53.288 54.840 0.008 0.000 0.807 123 L CB 1.601 43.659 42.059 -0.002 0.000 1.237 123 L HN -0.144 8.095 8.230 0.014 0.000 0.442 124 N N 3.633 122.339 118.700 0.009 0.000 3.050 124 N HA 0.001 4.752 4.740 0.018 0.000 0.289 124 N C -1.658 173.857 175.510 0.007 0.000 1.209 124 N CA 0.353 53.410 53.050 0.011 0.000 1.154 124 N CB -1.246 37.247 38.487 0.009 0.000 1.444 124 N HN 0.429 8.813 8.380 0.006 0.000 0.529 125 C N 2.470 121.776 119.300 0.010 0.000 3.113 125 C HA 0.094 4.555 4.460 0.001 0.000 0.376 125 C C -2.473 172.524 174.990 0.011 0.000 1.077 125 C CA -0.776 58.243 59.018 0.002 0.000 1.253 125 C CB 3.127 30.859 27.740 -0.013 0.000 1.637 125 C HN -0.270 7.929 8.230 0.016 0.041 0.535 126 A N 6.692 129.520 122.820 0.014 0.000 2.520 126 A HA -0.040 4.481 4.320 0.067 -0.161 0.245 126 A C -1.086 176.512 177.584 0.024 0.000 1.072 126 A CA 0.621 52.681 52.037 0.038 0.000 0.761 126 A CB 0.358 19.376 19.000 0.030 0.000 1.004 126 A HN 0.336 8.489 8.150 0.005 0.000 0.499 127 K N 5.148 125.586 120.400 0.064 0.000 2.339 127 K HA 0.002 4.286 4.320 -0.059 0.000 0.286 127 K C -0.551 176.034 176.600 -0.024 0.000 1.050 127 K CA -0.224 56.053 56.287 -0.017 0.000 0.956 127 K CB 0.710 33.192 32.500 -0.030 0.000 0.990 127 K HN -0.141 8.180 8.250 0.118 0.000 0.475 128 K N 5.368 125.713 120.400 -0.092 0.000 2.227 128 K HA 0.200 4.689 4.320 0.055 -0.137 0.280 128 K C -0.864 175.680 176.600 -0.092 0.000 1.041 128 K CA -0.491 55.773 56.287 -0.038 0.000 0.905 128 K CB 0.936 33.315 32.500 -0.203 0.000 1.068 128 K HN 0.173 8.376 8.250 -0.079 0.000 0.470 129 F N 1.976 121.961 119.950 0.058 0.000 2.470 129 F HA 0.276 4.903 4.527 -0.016 -0.109 0.329 129 F C -0.041 175.768 175.800 0.015 0.000 1.072 129 F CA -1.643 56.358 58.000 0.001 0.000 0.989 129 F CB 3.064 42.047 39.000 -0.028 0.000 1.193 129 F HN 0.169 8.723 8.300 0.424 0.000 0.481 130 V N 1.961 121.919 119.914 0.073 0.000 2.334 130 V HA 0.043 4.283 4.120 -0.000 -0.119 0.267 130 V C -1.204 174.884 176.094 -0.010 0.000 1.040 130 V CA -0.362 61.905 62.300 -0.056 0.000 0.866 130 V CB 0.383 32.005 31.823 -0.335 0.000 1.019 130 V HN 0.155 8.357 8.190 0.019 0.000 0.468 131 R N 8.868 129.412 120.500 0.074 0.000 2.221 131 R HA 0.231 4.744 4.340 0.058 -0.139 0.327 131 R C -0.705 175.633 176.300 0.063 0.000 1.033 131 R CA -1.303 54.835 56.100 0.064 0.000 0.887 131 R CB 1.731 32.069 30.300 0.063 0.000 1.057 131 R HN 0.397 8.733 8.270 0.110 0.000 0.455 132 I N 7.419 128.004 120.570 0.025 0.000 2.598 132 I HA -0.176 4.022 4.170 0.047 0.000 0.284 132 I C 0.077 176.247 176.117 0.089 0.000 1.140 132 I CA 0.001 61.327 61.300 0.043 0.000 1.420 132 I CB -1.605 36.416 38.000 0.034 0.000 1.387 132 I HN 0.122 8.340 8.210 0.013 0.000 0.553 133 K N 7.357 127.810 120.400 0.089 0.000 2.350 133 K HA 0.010 4.366 4.320 0.059 0.000 0.196 133 K C 0.031 176.673 176.600 0.070 0.000 1.084 133 K CA 0.802 57.126 56.287 0.061 0.000 0.967 133 K CB 1.580 34.090 32.500 0.015 0.000 0.950 133 K HN 0.440 8.644 8.250 0.105 0.109 0.512 134 E N -1.771 118.482 120.200 0.087 0.000 2.299 134 E HA 0.212 4.607 4.350 0.076 0.000 0.265 134 E C -1.479 175.192 176.600 0.119 0.000 0.911 134 E CA -1.231 55.221 56.400 0.087 0.000 0.789 134 E CB 2.411 32.152 29.700 0.069 0.000 1.246 134 E HN -0.749 7.672 8.360 0.100 0.000 0.427 135 T N 2.670 117.289 114.554 0.108 0.000 2.834 135 T HA 0.060 4.713 4.350 0.165 -0.204 0.298 135 T C -0.225 174.549 174.700 0.123 0.000 0.966 135 T CA 0.952 63.127 62.100 0.125 0.000 1.141 135 T CB 0.323 69.242 68.868 0.085 0.000 0.905 135 T HN 0.074 8.366 8.240 0.087 0.000 0.535 136 V N 6.949 126.965 119.914 0.170 0.000 2.531 136 V HA 0.251 4.445 4.120 0.123 0.000 0.301 136 V C -2.290 173.903 176.094 0.165 0.000 1.034 136 V CA -1.136 61.261 62.300 0.161 0.000 0.865 136 V CB 2.871 34.809 31.823 0.192 0.000 0.995 136 V HN 0.559 8.879 8.190 0.218 0.000 0.424 137 R N 6.977 127.547 120.500 0.118 0.000 2.621 137 R HA 0.693 5.274 4.340 0.143 -0.156 0.284 137 R C -1.561 174.803 176.300 0.108 0.000 0.998 137 R CA -1.345 54.821 56.100 0.110 0.000 0.895 137 R CB 3.022 33.346 30.300 0.040 0.000 1.195 137 R HN 0.195 8.524 8.270 0.098 0.000 0.450 138 V N 0.587 120.584 119.914 0.138 0.000 3.001 138 V HA 0.668 4.848 4.120 0.100 0.000 0.314 138 V C -2.017 174.167 176.094 0.150 0.000 1.099 138 V CA -2.229 60.145 62.300 0.124 0.000 0.989 138 V CB 3.915 35.811 31.823 0.122 0.000 1.040 138 V HN 0.711 9.001 8.190 0.166 0.000 0.434 139 E N 0.511 120.784 120.200 0.122 0.000 2.393 139 E HA 0.530 5.131 4.350 0.193 -0.135 0.273 139 E C -2.272 174.389 176.600 0.101 0.000 0.918 139 E CA -1.290 55.194 56.400 0.140 0.000 0.773 139 E CB 4.175 33.946 29.700 0.119 0.000 1.275 139 E HN 0.208 8.627 8.360 0.098 0.000 0.451 140 D N 0.575 121.036 120.400 0.101 0.000 2.337 140 D HA 0.172 4.849 4.640 0.062 0.000 0.238 140 D C -0.500 175.841 176.300 0.069 0.000 1.331 140 D CA -0.479 53.562 54.000 0.069 0.000 0.967 140 D CB 1.044 41.875 40.800 0.052 0.000 1.382 140 D HN 0.210 8.655 8.370 0.125 0.000 0.549 141 G N 7.183 116.024 108.800 0.068 0.000 2.556 141 G HA2 -0.420 3.574 3.960 0.058 0.000 0.283 141 G HA3 -0.420 3.575 3.960 0.058 0.000 0.283 141 G C -0.603 174.360 174.900 0.106 0.000 1.177 141 G CA 1.261 46.402 45.100 0.068 0.000 0.978 141 G HN 0.219 8.546 8.290 0.061 0.000 0.554 142 D N 3.364 123.837 120.400 0.121 0.000 2.349 142 D HA -0.078 4.679 4.640 0.195 0.000 0.224 142 D C -0.015 176.473 176.300 0.313 0.000 1.029 142 D CA 0.235 54.355 54.000 0.200 0.000 0.879 142 D CB -0.380 40.534 40.800 0.191 0.000 0.906 142 D HN 0.321 8.749 8.370 0.096 0.000 0.528 143 K N -0.240 120.274 120.400 0.189 0.000 2.143 143 K HA 0.282 4.775 4.320 0.067 -0.132 0.272 143 K C -0.884 175.841 176.600 0.208 0.000 1.001 143 K CA -0.254 56.093 56.287 0.099 0.000 0.915 143 K CB 1.576 34.057 32.500 -0.032 0.000 1.047 143 K HN -0.624 7.636 8.250 0.133 0.069 0.458 144 W N -1.770 119.544 121.300 0.025 0.000 3.074 144 W HA 0.718 5.502 4.660 -0.015 -0.134 0.332 144 W C -3.147 173.316 176.519 -0.092 0.000 1.253 144 W CA -2.030 55.301 57.345 -0.023 0.000 1.180 144 W CB 3.189 32.632 29.460 -0.028 0.000 1.445 144 W HN 0.134 8.097 8.180 -0.363 0.000 0.573 145 A N -1.768 121.181 122.820 0.214 0.000 2.520 145 A HA 0.851 5.197 4.320 -0.211 -0.153 0.298 145 A C -2.746 174.934 177.584 0.160 0.000 1.051 145 A CA -0.619 51.427 52.037 0.015 0.000 0.690 145 A CB 3.749 22.751 19.000 0.004 0.000 1.281 145 A HN 0.331 8.658 8.150 0.294 0.000 0.402 146 E N 0.265 120.489 120.200 0.041 0.000 2.390 146 E HA 1.010 5.610 4.350 0.169 -0.149 0.277 146 E C -2.389 174.233 176.600 0.036 0.000 0.939 146 E CA -1.882 54.585 56.400 0.111 0.000 0.769 146 E CB 3.996 33.783 29.700 0.144 0.000 1.251 146 E HN 0.351 8.607 8.360 -0.173 0.000 0.450 147 F N 0.512 120.578 119.950 0.194 0.000 2.469 147 F HA 0.788 5.676 4.527 0.271 -0.199 0.332 147 F C -0.851 175.050 175.800 0.169 0.000 1.103 147 F CA -1.741 56.395 58.000 0.227 0.000 0.979 147 F CB 3.878 43.021 39.000 0.237 0.000 1.137 147 F HN 0.423 8.947 8.300 0.372 0.000 0.463 148 K N 2.287 122.957 120.400 0.450 0.000 2.385 148 K HA 0.558 5.028 4.320 0.250 0.000 0.248 148 K C -2.616 174.181 176.600 0.328 0.000 0.955 148 K CA -3.181 53.284 56.287 0.296 0.000 0.816 148 K CB 2.492 35.108 32.500 0.194 0.000 1.250 148 K HN 0.240 8.804 8.250 0.523 0.000 0.434 149 P HA -0.096 4.580 4.420 0.234 -0.116 0.266 149 P C -1.511 175.992 177.300 0.339 0.000 1.195 149 P CA 0.388 63.633 63.100 0.241 0.000 0.768 149 P CB 0.148 31.945 31.700 0.162 0.000 0.838 150 Y N 3.767 124.170 120.300 0.171 0.000 2.380 150 Y HA -0.065 4.569 4.550 0.140 0.000 0.320 150 Y C -2.089 173.917 175.900 0.178 0.000 1.272 150 Y CA -0.553 57.650 58.100 0.172 0.000 1.165 150 Y CB 2.279 40.865 38.460 0.211 0.000 1.319 150 Y HN -0.348 8.113 8.280 0.302 0.000 0.443 151 N N 7.452 125.882 118.700 -0.451 0.000 2.895 151 N HA 0.047 4.713 4.740 -0.124 0.000 0.277 151 N C -1.274 173.931 175.510 -0.509 0.000 1.185 151 N CA -1.042 51.809 53.050 -0.331 0.000 1.106 151 N CB -1.323 37.046 38.487 -0.197 0.000 1.422 151 N HN 0.337 8.435 8.380 -0.470 0.000 0.521 152 G N 0.814 109.460 108.800 -0.256 0.000 2.368 152 G HA2 -0.031 3.952 3.960 0.038 0.000 0.269 152 G HA3 -0.031 3.850 3.960 -0.131 0.000 0.269 152 G C -3.528 171.645 174.900 0.455 0.000 1.291 152 G CA 0.016 45.111 45.100 -0.010 0.000 0.903 152 G HN -0.563 7.669 8.290 -0.042 0.032 0.483 153 F N 0.567 120.693 119.950 0.293 0.000 2.745 153 F HA 0.850 5.903 4.527 0.497 -0.228 0.343 153 F C -2.224 173.792 175.800 0.361 0.000 1.196 153 F CA -3.028 55.188 58.000 0.361 0.000 1.021 153 F CB 2.472 41.563 39.000 0.152 0.000 1.297 153 F HN 0.103 8.660 8.300 0.428 0.000 0.486 154 S N 6.190 122.066 115.700 0.293 0.000 2.532 154 S HA 0.852 5.437 4.470 -0.050 -0.145 0.301 154 S C -1.811 172.747 174.600 -0.070 0.000 1.083 154 S CA -1.983 56.208 58.200 -0.015 0.000 1.025 154 S CB 2.981 66.095 63.200 -0.144 0.000 1.056 154 S HN 0.070 8.685 8.310 0.508 0.000 0.494 155 L N 0.856 122.045 121.223 -0.058 0.000 2.385 155 L HA 0.600 5.274 4.340 0.258 -0.178 0.273 155 L C -1.810 175.125 176.870 0.108 0.000 0.990 155 L CA -0.061 54.858 54.840 0.131 0.000 0.821 155 L CB 3.263 45.421 42.059 0.165 0.000 1.279 155 L HN 0.198 8.392 8.230 -0.061 0.000 0.412 156 D N 3.380 123.818 120.400 0.064 0.000 2.440 156 D HA 0.313 4.977 4.640 0.041 0.000 0.252 156 D C -2.217 174.069 176.300 -0.023 0.000 1.180 156 D CA -0.804 53.197 54.000 0.003 0.000 0.894 156 D CB 2.398 43.155 40.800 -0.070 0.000 1.111 156 D HN 0.214 8.592 8.370 0.013 0.000 0.544 157 F N 7.628 127.565 119.950 -0.022 0.000 2.444 157 F HA 0.483 5.070 4.527 -0.131 -0.139 0.342 157 F C -2.094 173.686 175.800 -0.034 0.000 1.121 157 F CA -1.351 56.627 58.000 -0.037 0.000 0.997 157 F CB 4.339 43.383 39.000 0.073 0.000 1.130 157 F HN 0.781 9.250 8.300 0.281 0.000 0.454 158 T N 9.212 123.709 114.554 -0.094 0.000 2.807 158 T HA 0.538 5.115 4.350 0.140 -0.143 0.279 158 T C -1.791 172.850 174.700 -0.099 0.000 0.993 158 T CA -0.397 61.711 62.100 0.014 0.000 0.970 158 T CB 2.045 70.948 68.868 0.057 0.000 0.950 158 T HN 0.377 8.336 8.240 -0.467 0.000 0.441 159 I N 4.461 125.034 120.570 0.005 0.000 2.607 159 I HA 0.213 4.244 4.170 -0.232 0.000 0.305 159 I C -1.817 174.132 176.117 -0.280 0.000 0.995 159 I CA -2.641 58.557 61.300 -0.169 0.000 1.148 159 I CB 3.927 41.831 38.000 -0.160 0.000 1.323 159 I HN 0.514 8.771 8.210 0.080 0.000 0.461 160 D N 6.705 126.854 120.400 -0.417 0.000 2.930 160 D HA 0.091 4.638 4.640 -0.155 0.000 0.304 160 D C -1.748 174.447 176.300 -0.174 0.000 1.298 160 D CA -1.683 52.154 54.000 -0.272 0.000 0.949 160 D CB -1.622 38.984 40.800 -0.324 0.000 1.013 160 D HN 0.136 8.200 8.370 -0.510 0.000 0.510 161 F N -0.558 119.347 119.950 -0.076 0.000 2.429 161 F HA -0.069 4.406 4.527 -0.088 0.000 0.348 161 F C -0.356 175.404 175.800 -0.067 0.000 1.109 161 F CA 0.508 58.453 58.000 -0.091 0.000 1.232 161 F CB 1.109 40.013 39.000 -0.160 0.000 1.157 161 F HN -0.875 7.381 8.300 0.008 0.049 0.564 162 N N 0.242 119.063 118.700 0.201 0.000 2.241 162 N HA 0.081 4.858 4.740 0.063 0.000 0.238 162 N C -1.572 173.956 175.510 0.029 0.000 1.244 162 N CA -0.147 52.950 53.050 0.077 0.000 0.880 162 N CB 0.817 39.326 38.487 0.038 0.000 1.179 162 N HN 0.130 8.667 8.380 0.261 0.000 0.513 163 H N 3.914 122.927 119.070 -0.095 0.000 2.525 163 H HA 0.377 4.857 4.556 -0.126 0.000 0.339 163 H C -0.532 174.707 175.328 -0.149 0.000 1.109 163 H CA -0.996 54.949 56.048 -0.171 0.000 1.352 163 H CB 1.844 31.406 29.762 -0.333 0.000 1.461 163 H HN -0.464 7.868 8.280 0.086 0.000 0.533 164 P HA -0.178 4.200 4.420 -0.069 0.000 0.219 164 P C -0.882 176.438 177.300 0.032 0.000 1.146 164 P CA 1.566 64.598 63.100 -0.113 0.000 0.808 164 P CB 0.245 31.866 31.700 -0.132 0.000 0.779 165 A N -5.669 117.295 122.820 0.239 0.000 2.251 165 A HA 0.015 4.396 4.320 0.103 0.000 0.209 165 A C -0.378 177.165 177.584 -0.068 0.000 1.187 165 A CA -0.008 52.108 52.037 0.131 0.000 0.823 165 A CB 0.656 19.759 19.000 0.172 0.000 0.846 165 A HN -0.426 8.093 8.150 0.681 0.039 0.486 166 I N -0.747 119.717 120.570 -0.176 0.000 2.390 166 I HA 0.013 4.060 4.170 -0.206 0.000 0.283 166 I C -1.104 174.969 176.117 -0.074 0.000 1.016 166 I CA -0.690 60.454 61.300 -0.258 0.000 1.151 166 I CB 0.874 38.514 38.000 -0.600 0.000 1.293 166 I HN -0.709 7.280 8.210 -0.109 0.156 0.458 167 D N 6.971 127.365 120.400 -0.010 0.000 2.362 167 D HA 0.061 4.710 4.640 0.016 0.000 0.242 167 D C 1.304 177.628 176.300 0.040 0.000 1.132 167 D CA -0.319 53.694 54.000 0.021 0.000 0.907 167 D CB 2.230 43.051 40.800 0.034 0.000 1.195 167 D HN 0.132 8.504 8.370 0.003 0.000 0.429 168 S N 4.956 120.682 115.700 0.043 0.000 2.419 168 S HA -0.245 4.264 4.470 0.065 0.000 0.235 168 S C 1.643 176.281 174.600 0.064 0.000 1.019 168 S CA 2.785 61.018 58.200 0.056 0.000 0.982 168 S CB -0.495 62.733 63.200 0.047 0.000 0.789 168 S HN 0.451 8.782 8.310 0.036 0.000 0.490 169 S N 1.874 117.608 115.700 0.057 0.000 2.500 169 S HA -0.167 4.337 4.470 0.058 0.000 0.239 169 S C 0.520 175.170 174.600 0.082 0.000 0.989 169 S CA 2.093 60.330 58.200 0.062 0.000 0.951 169 S CB -0.081 63.151 63.200 0.054 0.000 0.759 169 S HN -0.285 8.352 8.310 0.050 -0.297 0.523 170 N N -0.389 118.367 118.700 0.094 0.000 2.553 170 N HA 0.227 5.048 4.740 0.135 0.000 0.298 170 N C -1.342 174.258 175.510 0.149 0.000 1.596 170 N CA -0.359 52.766 53.050 0.125 0.000 0.910 170 N CB 0.436 38.998 38.487 0.124 0.000 1.336 170 N HN -0.461 7.788 8.380 0.085 0.182 0.497 171 Q N -2.293 117.590 119.800 0.137 0.000 2.319 171 Q HA 0.043 4.488 4.340 0.174 0.000 0.202 171 Q C -1.481 174.611 176.000 0.154 0.000 0.896 171 Q CA 0.828 56.719 55.803 0.146 0.000 0.942 171 Q CB 1.672 30.478 28.738 0.112 0.000 1.083 171 Q HN -0.650 7.692 8.270 0.120 0.000 0.510 172 R N -1.636 118.965 120.500 0.169 0.000 2.668 172 R HA 0.691 5.323 4.340 0.216 -0.162 0.272 172 R C -2.480 173.964 176.300 0.241 0.000 1.019 172 R CA -0.618 55.593 56.100 0.186 0.000 0.894 172 R CB 3.168 33.539 30.300 0.120 0.000 1.228 172 R HN -0.890 7.431 8.270 0.165 0.048 0.460 173 Y N 2.880 123.237 120.300 0.095 0.000 2.479 173 Y HA 0.194 4.764 4.550 0.032 0.000 0.338 173 Y C -3.029 172.909 175.900 0.063 0.000 1.055 173 Y CA -0.292 57.840 58.100 0.054 0.000 1.023 173 Y CB 4.845 43.317 38.460 0.020 0.000 1.287 173 Y HN 0.446 8.912 8.280 0.311 0.000 0.447 174 A N 6.907 129.490 122.820 -0.395 0.000 2.455 174 A HA 1.125 5.631 4.320 -0.045 -0.212 0.300 174 A C -2.088 175.304 177.584 -0.320 0.000 1.040 174 A CA -1.194 50.719 52.037 -0.208 0.000 0.697 174 A CB 2.850 21.765 19.000 -0.141 0.000 1.265 174 A HN 0.265 7.934 8.150 -0.801 0.000 0.407 175 M N 1.267 120.796 119.600 -0.119 0.000 2.578 175 M HA 0.363 4.763 4.480 -0.134 0.000 0.276 175 M C -2.482 173.801 176.300 -0.028 0.000 1.245 175 M CA -0.748 54.504 55.300 -0.080 0.000 0.871 175 M CB 4.217 36.840 32.600 0.039 0.000 1.722 175 M HN 0.504 8.765 8.290 -0.049 0.000 0.473 176 N N 1.127 119.821 118.700 -0.010 0.000 2.426 176 N HA 0.235 5.008 4.740 0.054 0.000 0.257 176 N C -0.216 175.318 175.510 0.039 0.000 1.002 176 N CA -0.579 52.492 53.050 0.036 0.000 0.942 176 N CB -0.085 38.434 38.487 0.052 0.000 1.112 176 N HN 0.122 8.488 8.380 -0.024 0.000 0.499 177 F N 6.711 126.592 119.950 -0.114 0.000 2.563 177 F HA -0.094 4.408 4.527 -0.042 0.000 0.363 177 F C -1.791 173.968 175.800 -0.067 0.000 1.123 177 F CA 1.798 59.742 58.000 -0.093 0.000 1.307 177 F CB 1.443 40.352 39.000 -0.152 0.000 1.115 177 F HN 0.060 8.433 8.300 0.122 0.000 0.592 178 S N 2.543 117.903 115.700 -0.568 0.000 2.595 178 S HA 0.337 4.994 4.470 -0.152 -0.278 0.270 178 S C -0.802 173.517 174.600 -0.468 0.000 1.145 178 S CA -1.812 56.190 58.200 -0.330 0.000 0.825 178 S CB 3.658 66.778 63.200 -0.134 0.000 1.107 178 S HN -0.493 7.266 8.310 -0.918 0.000 0.461 179 A N 1.392 124.104 122.820 -0.179 0.000 1.877 179 A HA -0.300 4.082 4.320 -0.126 -0.137 0.216 179 A C 1.082 178.631 177.584 -0.058 0.000 1.186 179 A CA 3.203 55.184 52.037 -0.092 0.000 0.620 179 A CB -0.149 18.860 19.000 0.015 0.000 0.822 179 A HN 0.862 8.972 8.150 -0.066 0.000 0.443 180 D N -1.622 118.741 120.400 -0.061 0.000 2.117 180 D HA -0.308 4.314 4.640 -0.030 0.000 0.198 180 D C 1.805 178.062 176.300 -0.071 0.000 0.982 180 D CA 3.247 57.219 54.000 -0.046 0.000 0.828 180 D CB -0.810 39.970 40.800 -0.033 0.000 0.967 180 D HN -0.149 8.185 8.370 -0.059 0.000 0.464 181 A N -0.606 122.147 122.820 -0.111 0.000 1.930 181 A HA -0.185 4.085 4.320 -0.083 0.000 0.217 181 A C 1.962 179.466 177.584 -0.132 0.000 1.175 181 A CA 2.795 54.764 52.037 -0.114 0.000 0.627 181 A CB -0.563 18.362 19.000 -0.124 0.000 0.815 181 A HN -0.475 7.594 8.150 -0.135 0.000 0.443 182 F N 0.559 120.302 119.950 -0.345 0.000 2.102 182 F HA -0.374 4.005 4.527 -0.246 0.000 0.298 182 F C 1.125 176.828 175.800 -0.162 0.000 1.105 182 F CA 3.588 61.413 58.000 -0.292 0.000 1.239 182 F CB 0.394 39.156 39.000 -0.397 0.000 0.991 182 F HN -0.142 8.053 8.300 -0.176 0.000 0.474 183 M N -2.225 117.300 119.600 -0.126 0.000 2.117 183 M HA -0.535 3.785 4.480 -0.267 0.000 0.262 183 M C 2.210 178.390 176.300 -0.201 0.000 1.065 183 M CA 4.164 59.356 55.300 -0.180 0.000 1.114 183 M CB 0.062 32.631 32.600 -0.052 0.000 1.361 183 M HN -0.410 7.884 8.290 0.006 0.000 0.408 184 R N -4.753 115.665 120.500 -0.137 0.000 2.128 184 R HA -0.211 4.105 4.340 -0.039 0.000 0.211 184 R C 2.252 178.503 176.300 -0.081 0.000 1.067 184 R CA 2.612 58.671 56.100 -0.069 0.000 1.010 184 R CB 0.385 30.666 30.300 -0.031 0.000 0.922 184 R HN -0.521 7.675 8.270 -0.123 0.000 0.457 185 Q N -3.253 116.443 119.800 -0.174 0.000 2.373 185 Q HA 0.029 4.207 4.340 -0.270 0.000 0.210 185 Q C 2.031 177.736 176.000 -0.490 0.000 0.913 185 Q CA 1.862 57.505 55.803 -0.265 0.000 0.911 185 Q CB 1.112 29.780 28.738 -0.118 0.000 1.040 185 Q HN -0.369 7.791 8.270 -0.184 0.000 0.521 186 I N -0.482 119.808 120.570 -0.466 0.000 3.812 186 I HA 0.130 3.983 4.170 -0.530 0.000 0.292 186 I C 1.995 177.783 176.117 -0.548 0.000 1.206 186 I CA 0.631 61.612 61.300 -0.532 0.000 1.370 186 I CB 0.549 38.281 38.000 -0.447 0.000 1.328 186 I HN -0.277 7.653 8.210 -0.466 0.000 0.453 187 S N 2.199 117.454 115.700 -0.743 0.000 2.419 187 S HA -0.339 3.714 4.470 -0.694 0.000 0.233 187 S C 1.585 176.061 174.600 -0.207 0.000 1.016 187 S CA 3.784 61.614 58.200 -0.617 0.000 0.974 187 S CB -0.435 62.401 63.200 -0.606 0.000 0.786 187 S HN 0.067 7.901 8.310 -0.794 0.000 0.492 188 R N 0.237 120.687 120.500 -0.083 0.000 2.310 188 R HA 0.051 4.398 4.340 0.011 0.000 0.202 188 R C -0.904 175.472 176.300 0.126 0.000 0.933 188 R CA 0.156 56.288 56.100 0.053 0.000 1.054 188 R CB -0.186 30.182 30.300 0.113 0.000 0.985 188 R HN 0.082 8.277 8.270 -0.084 0.024 0.489 189 A N -0.132 122.755 122.820 0.112 0.000 2.451 189 A HA -0.003 4.596 4.320 0.217 -0.148 0.266 189 A C -0.706 176.955 177.584 0.129 0.000 1.119 189 A CA -0.390 51.728 52.037 0.134 0.000 0.786 189 A CB 0.420 19.419 19.000 -0.002 0.000 1.061 189 A HN -0.416 7.687 8.150 0.000 0.047 0.503 190 R N 5.270 125.775 120.500 0.008 0.000 2.500 190 R HA 0.056 4.473 4.340 -0.107 -0.142 0.275 190 R C 0.060 176.079 176.300 -0.468 0.000 1.051 190 R CA -0.808 55.212 56.100 -0.134 0.000 1.088 190 R CB 1.417 31.647 30.300 -0.117 0.000 1.063 190 R HN 0.027 8.610 8.270 -0.018 -0.323 0.511 191 T N -0.502 113.562 114.554 -0.818 0.000 2.748 191 T HA -0.144 3.231 4.350 -1.625 0.000 0.304 191 T C -1.383 173.160 174.700 -0.261 0.000 1.041 191 T CA 0.866 62.394 62.100 -0.953 0.000 1.033 191 T CB 1.228 69.835 68.868 -0.436 0.000 0.995 191 T HN -0.159 7.639 8.240 -0.566 0.103 0.536 192 F N -3.135 116.723 119.950 -0.153 0.000 2.645 192 F HA 1.108 5.817 4.527 -0.043 -0.208 0.310 192 F C -1.611 174.237 175.800 0.080 0.000 1.102 192 F CA -2.932 55.062 58.000 -0.010 0.000 0.952 192 F CB 3.504 42.562 39.000 0.097 0.000 1.326 192 F HN -0.031 7.779 8.300 -0.816 0.000 0.456 193 G N -1.623 107.348 108.800 0.284 0.000 2.660 193 G HA2 0.117 4.226 3.960 0.249 0.000 0.290 193 G HA3 0.117 4.152 3.960 0.126 0.000 0.290 193 G C -3.080 171.984 174.900 0.274 0.000 1.432 193 G CA -0.540 44.695 45.100 0.224 0.000 0.807 193 G HN 0.201 8.676 8.290 0.308 0.000 0.485 194 F N 0.852 120.858 119.950 0.093 0.000 2.411 194 F HA 0.524 5.237 4.527 0.065 -0.147 0.355 194 F C 0.153 175.985 175.800 0.052 0.000 1.117 194 F CA -1.888 56.154 58.000 0.070 0.000 1.139 194 F CB 1.937 40.980 39.000 0.072 0.000 1.120 194 F HN 0.166 8.691 8.300 0.374 0.000 0.493 195 M N 9.059 128.410 119.600 -0.415 0.000 2.108 195 M HA -0.406 3.974 4.480 -0.168 0.000 0.261 195 M C 0.842 176.963 176.300 -0.298 0.000 1.066 195 M CA 3.202 58.323 55.300 -0.298 0.000 1.107 195 M CB -0.095 32.358 32.600 -0.245 0.000 1.356 195 M HN 0.325 8.317 8.290 -0.496 0.000 0.406 196 R N -2.322 117.852 120.500 -0.543 0.000 2.096 196 R HA -0.281 4.139 4.340 -0.137 -0.162 0.235 196 R C 1.645 177.962 176.300 0.028 0.000 1.127 196 R CA 2.842 58.815 56.100 -0.212 0.000 0.968 196 R CB -1.238 28.962 30.300 -0.166 0.000 0.861 196 R HN 0.244 7.870 8.270 -1.072 0.000 0.440 197 D N -0.338 120.147 120.400 0.141 0.000 2.117 197 D HA -0.209 4.560 4.640 0.215 0.000 0.197 197 D C 2.559 178.951 176.300 0.153 0.000 0.987 197 D CA 3.325 57.453 54.000 0.214 0.000 0.829 197 D CB -0.477 40.491 40.800 0.280 0.000 0.961 197 D HN -0.676 7.801 8.370 0.178 0.000 0.460 198 I N 0.045 120.657 120.570 0.071 0.000 2.226 198 I HA -0.561 3.627 4.170 0.031 0.000 0.245 198 I C 1.693 177.816 176.117 0.009 0.000 1.100 198 I CA 4.286 65.598 61.300 0.019 0.000 1.374 198 I CB -0.000 37.976 38.000 -0.040 0.000 1.057 198 I HN -0.438 7.799 8.210 0.045 0.000 0.413 199 E N -0.063 120.139 120.200 0.003 0.000 2.058 199 E HA -0.450 3.884 4.350 -0.026 0.000 0.194 199 E C 2.416 179.046 176.600 0.050 0.000 0.997 199 E CA 3.362 59.765 56.400 0.006 0.000 0.801 199 E CB -0.237 29.465 29.700 0.004 0.000 0.746 199 E HN -0.081 8.271 8.360 -0.014 0.000 0.450 200 Y N 0.790 121.086 120.300 -0.007 0.000 2.145 200 Y HA -0.347 4.207 4.550 0.006 0.000 0.286 200 Y C 1.844 177.748 175.900 0.007 0.000 1.145 200 Y CA 3.304 61.409 58.100 0.008 0.000 1.148 200 Y CB 0.128 38.605 38.460 0.028 0.000 0.981 200 Y HN -0.603 7.818 8.280 0.236 0.000 0.507 201 L N -2.939 118.322 121.223 0.063 0.000 2.042 201 L HA -0.555 3.765 4.340 -0.033 0.000 0.210 201 L C 2.498 179.315 176.870 -0.088 0.000 1.076 201 L CA 3.230 58.062 54.840 -0.014 0.000 0.749 201 L CB -0.620 41.466 42.059 0.045 0.000 0.893 201 L HN -0.174 8.150 8.230 0.156 0.000 0.432 202 Q N -1.919 117.838 119.800 -0.071 0.000 2.224 202 Q HA -0.155 4.352 4.340 -0.065 -0.206 0.203 202 Q C 3.330 179.270 176.000 -0.101 0.000 0.970 202 Q CA 2.614 58.373 55.803 -0.075 0.000 0.865 202 Q CB 0.036 28.736 28.738 -0.064 0.000 0.922 202 Q HN 0.012 8.254 8.270 -0.047 0.000 0.445 203 S N 0.251 115.864 115.700 -0.145 0.000 2.481 203 S HA -0.163 4.240 4.470 -0.112 0.000 0.231 203 S C 0.371 174.847 174.600 -0.207 0.000 0.996 203 S CA 2.600 60.701 58.200 -0.165 0.000 0.942 203 S CB -0.211 62.880 63.200 -0.182 0.000 0.768 203 S HN -0.225 7.877 8.310 -0.155 0.115 0.520 204 R N -0.414 119.938 120.500 -0.247 0.000 2.468 204 R HA 0.200 4.429 4.340 -0.185 0.000 0.280 204 R C -0.041 176.196 176.300 -0.106 0.000 0.963 204 R CA -1.256 54.722 56.100 -0.203 0.000 1.083 204 R CB -0.773 29.366 30.300 -0.268 0.000 1.200 204 R HN -0.714 7.236 8.270 -0.253 0.168 0.541 205 G N -0.276 108.473 108.800 -0.085 0.000 2.147 205 G HA2 -0.423 3.510 3.960 -0.044 0.000 0.244 205 G HA3 -0.423 3.512 3.960 -0.040 0.000 0.244 205 G C -0.958 173.927 174.900 -0.025 0.000 1.005 205 G CA 0.658 45.730 45.100 -0.047 0.000 0.713 205 G HN -0.326 7.733 8.290 -0.096 0.174 0.515 206 L N -3.294 117.912 121.223 -0.028 0.000 2.286 206 L HA 0.432 4.792 4.340 0.034 0.000 0.265 206 L C 0.395 177.257 176.870 -0.013 0.000 1.012 206 L CA -2.523 52.322 54.840 0.009 0.000 0.818 206 L CB 2.814 44.890 42.059 0.028 0.000 1.337 206 L HN -0.452 7.748 8.230 -0.051 0.000 0.438 207 C N -1.636 117.653 119.300 -0.018 0.000 4.268 207 C HA -0.379 4.125 4.460 -0.151 -0.135 0.299 207 C C 1.515 176.465 174.990 -0.067 0.000 1.429 207 C CA 0.397 59.364 59.018 -0.085 0.000 2.018 207 C CB -1.484 26.210 27.740 -0.077 0.000 1.277 207 C HN 0.717 8.957 8.230 0.016 0.000 0.767 208 L N -1.231 119.970 121.223 -0.038 0.000 2.376 208 L HA -0.113 4.201 4.340 -0.043 0.000 0.219 208 L C 1.284 178.130 176.870 -0.040 0.000 1.133 208 L CA 1.820 56.639 54.840 -0.035 0.000 0.816 208 L CB -0.483 41.567 42.059 -0.015 0.000 0.933 208 L HN -0.381 7.838 8.230 -0.017 0.001 0.449 209 G N -2.920 105.855 108.800 -0.043 0.000 2.985 209 G HA2 0.116 4.058 3.960 -0.030 0.000 0.209 209 G HA3 0.116 4.263 3.960 -0.030 -0.204 0.209 209 G C -0.049 174.815 174.900 -0.059 0.000 1.165 209 G CA -0.614 44.462 45.100 -0.039 0.000 0.776 209 G HN -0.449 7.679 8.290 -0.047 0.134 0.541 210 G N 0.648 109.398 108.800 -0.083 0.000 2.380 210 G HA2 -0.098 3.804 3.960 -0.097 0.000 0.242 210 G HA3 -0.098 3.792 3.960 -0.117 0.000 0.242 210 G C -1.500 173.321 174.900 -0.132 0.000 1.298 210 G CA 0.461 45.497 45.100 -0.106 0.000 0.878 210 G HN -0.665 7.520 8.290 -0.085 0.053 0.542 211 S N 2.135 117.747 115.700 -0.147 0.000 2.636 211 S HA 0.211 4.500 4.470 -0.302 0.000 0.268 211 S C 0.423 174.919 174.600 -0.173 0.000 1.159 211 S CA -1.241 56.842 58.200 -0.194 0.000 0.815 211 S CB 1.958 65.108 63.200 -0.083 0.000 1.130 211 S HN -0.567 7.669 8.310 -0.122 0.000 0.471 212 F N 0.050 119.985 119.950 -0.026 0.000 2.333 212 F HA -0.032 4.477 4.527 -0.030 0.000 0.300 212 F C 1.350 177.128 175.800 -0.037 0.000 1.083 212 F CA 1.757 59.739 58.000 -0.030 0.000 1.395 212 F CB -0.218 38.764 39.000 -0.030 0.000 1.056 212 F HN 0.484 8.676 8.300 -0.180 0.000 0.529 213 D N -1.483 118.988 120.400 0.118 0.000 2.347 213 D HA 0.022 4.695 4.640 0.055 0.000 0.215 213 D C 0.136 176.447 176.300 0.019 0.000 0.976 213 D CA 2.230 56.262 54.000 0.054 0.000 0.884 213 D CB 0.235 41.053 40.800 0.030 0.000 0.915 213 D HN -0.253 8.133 8.370 0.091 0.039 0.526 214 C N -5.442 113.865 119.300 0.011 0.000 3.642 214 C HA 0.501 4.970 4.460 -0.003 -0.011 0.305 214 C C -1.683 173.301 174.990 -0.010 0.000 1.492 214 C CA -2.502 56.514 59.018 -0.003 0.000 1.809 214 C CB 2.042 29.778 27.740 -0.006 0.000 2.639 214 C HN -0.636 7.552 8.230 0.011 0.048 0.672 215 A N -0.842 121.977 122.820 -0.001 0.000 2.594 215 A HA 0.307 4.717 4.320 -0.037 -0.112 0.296 215 A C -2.478 175.131 177.584 0.041 0.000 1.061 215 A CA -0.499 51.533 52.037 -0.008 0.000 0.689 215 A CB 2.510 21.497 19.000 -0.021 0.000 1.280 215 A HN -0.832 7.331 8.150 0.023 0.000 0.406 216 I N 0.918 121.503 120.570 0.024 0.000 2.533 216 I HA -0.097 4.279 4.170 0.056 -0.173 0.284 216 I C -0.753 175.449 176.117 0.143 0.000 1.109 216 I CA 1.002 62.331 61.300 0.049 0.000 1.412 216 I CB 0.522 38.470 38.000 -0.087 0.000 1.396 216 I HN -0.105 8.099 8.210 -0.009 0.000 0.543 217 V N 7.016 127.038 119.914 0.180 0.000 2.540 217 V HA 0.754 5.173 4.120 0.157 -0.205 0.302 217 V C -1.070 175.124 176.094 0.166 0.000 1.035 217 V CA -1.943 60.460 62.300 0.171 0.000 0.873 217 V CB 2.574 34.481 31.823 0.141 0.000 0.992 217 V HN 0.320 8.954 8.190 0.210 -0.318 0.428 218 V N 0.898 120.887 119.914 0.126 0.000 2.715 218 V HA 0.976 5.332 4.120 0.118 -0.165 0.310 218 V C -0.883 175.248 176.094 0.062 0.000 1.054 218 V CA -3.792 58.567 62.300 0.098 0.000 0.928 218 V CB 3.115 34.900 31.823 -0.063 0.000 1.007 218 V HN 0.033 8.305 8.190 0.137 0.000 0.437 219 D N 4.750 125.201 120.400 0.086 0.000 2.446 219 D HA 0.023 4.479 4.640 -0.308 0.000 0.288 219 D C -0.343 176.090 176.300 0.223 0.000 1.195 219 D CA -0.605 53.376 54.000 -0.032 0.000 1.095 219 D CB 0.508 41.308 40.800 0.001 0.000 1.153 219 D HN -0.203 8.247 8.370 0.132 0.000 0.568 220 D N -4.425 115.974 120.400 -0.002 0.000 2.264 220 D HA -0.217 4.500 4.640 0.128 0.000 0.208 220 D C -0.592 175.339 176.300 -0.616 0.000 0.966 220 D CA 2.568 56.391 54.000 -0.296 0.000 0.864 220 D CB 0.256 40.519 40.800 -0.895 0.000 0.933 220 D HN 0.259 8.565 8.370 -0.106 0.000 0.499 221 Y N -5.334 115.020 120.300 0.090 0.000 2.512 221 Y HA 0.129 4.600 4.550 -0.133 0.000 0.268 221 Y C -1.390 174.581 175.900 0.118 0.000 1.102 221 Y CA 0.338 58.438 58.100 0.000 0.000 1.261 221 Y CB 3.156 41.621 38.460 0.008 0.000 1.250 221 Y HN -0.491 8.105 8.280 0.072 -0.273 0.506 222 R N -4.100 116.603 120.500 0.339 0.000 2.716 222 R HA 0.312 4.797 4.340 0.242 0.000 0.271 222 R C -2.239 174.173 176.300 0.187 0.000 1.028 222 R CA -1.509 54.736 56.100 0.242 0.000 0.883 222 R CB 2.930 33.328 30.300 0.163 0.000 1.250 222 R HN -0.240 8.516 8.270 0.327 -0.289 0.465 223 V N 1.138 121.133 119.914 0.135 0.000 2.529 223 V HA -0.260 4.051 4.120 0.118 -0.120 0.292 223 V C -0.306 175.825 176.094 0.062 0.000 1.028 223 V CA 1.602 63.962 62.300 0.101 0.000 1.074 223 V CB 0.138 32.007 31.823 0.077 0.000 0.958 223 V HN 0.366 8.633 8.190 0.129 0.000 0.481 224 L N 5.298 126.567 121.223 0.076 0.000 2.307 224 L HA -0.044 4.300 4.340 0.005 0.000 0.211 224 L C 0.289 177.039 176.870 -0.201 0.000 1.099 224 L CA 0.626 55.479 54.840 0.021 0.000 0.816 224 L CB 0.257 42.432 42.059 0.192 0.000 0.952 224 L HN 0.392 8.694 8.230 0.120 0.000 0.455 225 N N -0.519 118.080 118.700 -0.167 0.000 2.411 225 N HA -0.195 4.164 4.740 -0.636 0.000 0.261 225 N C 0.561 175.914 175.510 -0.262 0.000 1.248 225 N CA 0.953 53.814 53.050 -0.315 0.000 0.885 225 N CB 0.373 38.797 38.487 -0.106 0.000 1.062 225 N HN -0.393 7.973 8.380 -0.023 0.000 0.471 226 E N 3.284 123.290 120.200 -0.324 0.000 2.097 226 E HA -0.361 3.871 4.350 -0.196 0.000 0.196 226 E C 0.096 176.611 176.600 -0.141 0.000 1.000 226 E CA 2.391 58.664 56.400 -0.212 0.000 0.804 226 E CB 0.083 29.662 29.700 -0.203 0.000 0.740 226 E HN 0.487 8.589 8.360 -0.430 0.000 0.454 227 D N -3.753 116.567 120.400 -0.133 0.000 2.340 227 D HA 0.015 4.598 4.640 -0.096 0.000 0.220 227 D C 0.157 176.397 176.300 -0.100 0.000 1.039 227 D CA -0.233 53.704 54.000 -0.106 0.000 0.866 227 D CB 0.302 41.040 40.800 -0.103 0.000 0.913 227 D HN -0.035 8.246 8.370 -0.147 0.000 0.523 228 G N 0.679 109.420 108.800 -0.098 0.000 2.539 228 G HA2 -0.386 3.535 3.960 -0.066 0.000 0.256 228 G HA3 -0.386 3.532 3.960 -0.071 0.000 0.256 228 G C -1.673 173.164 174.900 -0.104 0.000 1.233 228 G CA -0.347 44.704 45.100 -0.081 0.000 0.936 228 G HN -0.497 7.568 8.290 -0.107 0.160 0.571 229 L N 0.212 121.371 121.223 -0.107 0.000 2.334 229 L HA 0.337 4.653 4.340 -0.177 -0.083 0.275 229 L C 1.124 177.873 176.870 -0.201 0.000 1.036 229 L CA -0.726 54.023 54.840 -0.152 0.000 0.807 229 L CB 1.287 43.272 42.059 -0.123 0.000 1.231 229 L HN 0.036 8.216 8.230 -0.084 0.000 0.438 230 R N -0.414 119.911 120.500 -0.290 0.000 2.153 230 R HA -0.100 3.955 4.340 -0.474 0.000 0.218 230 R C 0.244 176.021 176.300 -0.871 0.000 1.072 230 R CA 2.104 57.865 56.100 -0.566 0.000 0.990 230 R CB 0.838 30.748 30.300 -0.650 0.000 0.889 230 R HN 0.185 8.619 8.270 -0.256 -0.317 0.452 231 F N -4.909 114.977 119.950 -0.107 0.000 2.601 231 F HA 0.270 4.762 4.527 -0.058 0.000 0.309 231 F C -0.192 175.569 175.800 -0.064 0.000 1.089 231 F CA -2.010 55.941 58.000 -0.081 0.000 0.940 231 F CB 2.877 41.816 39.000 -0.102 0.000 1.273 231 F HN -0.883 7.328 8.300 -0.116 0.020 0.450 232 E N 1.386 121.680 120.200 0.156 0.000 2.160 232 E HA -0.264 4.135 4.350 0.081 0.000 0.195 232 E C -0.509 176.171 176.600 0.133 0.000 0.991 232 E CA 2.834 59.300 56.400 0.110 0.000 0.810 232 E CB 0.068 29.825 29.700 0.095 0.000 0.742 232 E HN 0.470 8.931 8.360 0.170 0.000 0.466 233 D N -5.914 114.572 120.400 0.142 0.000 3.035 233 D HA 0.067 4.806 4.640 0.165 0.000 0.290 233 D C -0.487 175.839 176.300 0.043 0.000 1.360 233 D CA -1.993 52.079 54.000 0.120 0.000 0.862 233 D CB -1.743 39.127 40.800 0.117 0.000 1.078 233 D HN -0.300 8.149 8.370 0.161 0.018 0.487 234 E N 1.604 121.824 120.200 0.032 0.000 2.150 234 E HA -0.354 4.005 4.350 0.015 0.000 0.193 234 E C 0.698 177.211 176.600 -0.145 0.000 0.985 234 E CA 3.351 59.717 56.400 -0.056 0.000 0.814 234 E CB 0.107 29.728 29.700 -0.132 0.000 0.752 234 E HN -0.740 7.590 8.360 0.041 0.055 0.466 235 F N -2.858 117.023 119.950 -0.116 0.000 2.075 235 F HA -0.329 4.046 4.527 -0.254 0.000 0.297 235 F C 2.411 178.237 175.800 0.043 0.000 1.113 235 F CA 3.657 61.529 58.000 -0.212 0.000 1.218 235 F CB -0.467 38.215 39.000 -0.528 0.000 0.984 235 F HN -0.147 8.152 8.300 -0.001 0.000 0.472 236 V N -1.094 118.950 119.914 0.217 0.000 2.515 236 V HA -0.526 3.654 4.120 0.100 0.000 0.250 236 V C 1.103 177.120 176.094 -0.128 0.000 1.058 236 V CA 3.025 65.377 62.300 0.087 0.000 1.064 236 V CB -0.089 31.820 31.823 0.144 0.000 0.675 236 V HN -0.434 7.893 8.190 0.228 0.000 0.461 237 R N -1.477 118.876 120.500 -0.245 0.000 2.096 237 R HA -0.421 3.536 4.340 -0.638 0.000 0.235 237 R C 2.105 178.255 176.300 -0.250 0.000 1.127 237 R CA 3.808 59.630 56.100 -0.464 0.000 0.968 237 R CB -0.301 29.610 30.300 -0.649 0.000 0.861 237 R HN -0.738 7.409 8.270 -0.205 0.000 0.440 238 H N -0.064 118.924 119.070 -0.137 0.000 2.389 238 H HA -0.210 4.284 4.556 -0.102 0.000 0.299 238 H C 1.976 177.272 175.328 -0.054 0.000 1.081 238 H CA 3.428 59.447 56.048 -0.048 0.000 1.345 238 H CB 0.057 29.882 29.762 0.106 0.000 1.393 238 H HN -0.292 8.043 8.280 0.091 0.000 0.520 239 K N -1.587 118.771 120.400 -0.070 0.000 2.211 239 K HA -0.252 3.947 4.320 -0.202 0.000 0.203 239 K C 2.324 178.528 176.600 -0.660 0.000 1.050 239 K CA 2.419 58.496 56.287 -0.351 0.000 0.945 239 K CB -0.606 31.623 32.500 -0.452 0.000 0.732 239 K HN -0.498 7.695 8.250 0.040 0.081 0.451 240 M N 0.771 120.042 119.600 -0.549 0.000 2.200 240 M HA -0.226 4.061 4.480 -0.321 0.000 0.265 240 M C 1.424 177.656 176.300 -0.113 0.000 1.066 240 M CA 3.423 58.542 55.300 -0.301 0.000 1.127 240 M CB 0.017 32.551 32.600 -0.110 0.000 1.379 240 M HN -0.591 7.416 8.290 -0.455 0.011 0.420 241 L N 0.482 121.606 121.223 -0.167 0.000 2.012 241 L HA -0.529 3.895 4.340 0.139 0.000 0.210 241 L C 1.324 178.174 176.870 -0.034 0.000 1.073 241 L CA 3.583 58.385 54.840 -0.064 0.000 0.748 241 L CB -0.185 41.720 42.059 -0.257 0.000 0.891 241 L HN -0.247 7.759 8.230 -0.248 0.075 0.431 242 D N -1.952 118.345 120.400 -0.173 0.000 2.144 242 D HA -0.319 4.402 4.640 0.134 0.000 0.199 242 D C 1.973 178.314 176.300 0.068 0.000 0.984 242 D CA 3.146 57.152 54.000 0.010 0.000 0.834 242 D CB -0.503 40.281 40.800 -0.028 0.000 0.955 242 D HN -0.182 7.989 8.370 -0.331 0.000 0.465 243 A N 0.384 123.210 122.820 0.010 0.000 1.902 243 A HA -0.244 4.124 4.320 0.079 0.000 0.217 243 A C 1.980 179.569 177.584 0.010 0.000 1.181 243 A CA 2.987 55.051 52.037 0.045 0.000 0.623 243 A CB -0.412 18.670 19.000 0.137 0.000 0.818 243 A HN -0.475 7.551 8.150 -0.069 0.082 0.443 244 I N -2.622 117.991 120.570 0.072 0.000 2.226 244 I HA -0.542 3.699 4.170 0.119 0.000 0.245 244 I C 2.089 178.283 176.117 0.127 0.000 1.100 244 I CA 3.705 65.080 61.300 0.124 0.000 1.374 244 I CB -0.230 37.906 38.000 0.226 0.000 1.057 244 I HN -0.137 8.124 8.210 0.086 0.000 0.413 245 G N -0.969 107.917 108.800 0.144 0.000 2.408 245 G HA2 -0.373 3.689 3.960 0.171 0.000 0.217 245 G HA3 -0.373 3.855 3.960 0.167 -0.168 0.217 245 G C 0.140 175.132 174.900 0.153 0.000 1.150 245 G CA 1.894 47.091 45.100 0.162 0.000 0.776 245 G HN -0.420 7.958 8.290 0.148 0.000 0.542 246 D N 1.568 122.050 120.400 0.137 0.000 2.097 246 D HA -0.118 4.584 4.640 0.102 0.000 0.195 246 D C 2.888 179.240 176.300 0.087 0.000 0.989 246 D CA 2.814 56.883 54.000 0.117 0.000 0.827 246 D CB -0.109 40.781 40.800 0.149 0.000 0.966 246 D HN -0.399 8.055 8.370 0.141 0.000 0.456 247 L N -1.181 120.090 121.223 0.080 0.000 2.201 247 L HA -0.284 4.097 4.340 0.068 0.000 0.212 247 L C 1.332 178.261 176.870 0.099 0.000 1.105 247 L CA 2.445 57.332 54.840 0.079 0.000 0.775 247 L CB -0.110 41.996 42.059 0.078 0.000 0.913 247 L HN -0.259 8.011 8.230 0.067 0.000 0.440 248 F N -1.094 118.835 119.950 -0.035 0.000 2.811 248 F HA 0.050 4.521 4.527 -0.093 0.000 0.301 248 F C 0.951 176.722 175.800 -0.049 0.000 1.151 248 F CA -0.496 57.466 58.000 -0.062 0.000 1.412 248 F CB 0.130 39.095 39.000 -0.058 0.000 1.113 248 F HN -0.574 7.863 8.300 0.262 0.021 0.579 249 M N -0.054 119.516 119.600 -0.050 0.000 2.549 249 M HA -0.257 4.170 4.480 -0.088 0.000 0.260 249 M C 0.586 176.774 176.300 -0.186 0.000 1.076 249 M CA 0.609 55.849 55.300 -0.100 0.000 1.090 249 M CB -1.531 31.045 32.600 -0.040 0.000 1.418 249 M HN -0.501 7.629 8.290 0.017 0.171 0.486 250 C N -6.591 112.569 119.300 -0.234 0.000 2.539 250 C HA -0.034 4.328 4.460 -0.164 0.000 0.268 250 C C 1.174 175.969 174.990 -0.324 0.000 1.395 250 C CA -0.059 58.828 59.018 -0.217 0.000 1.757 250 C CB 0.651 28.277 27.740 -0.190 0.000 1.851 250 C HN -0.636 7.417 8.230 -0.219 0.046 0.545 251 G N 2.090 110.470 108.800 -0.701 0.000 2.157 251 G HA2 -0.363 2.782 3.960 -1.359 0.000 0.248 251 G HA3 -0.363 3.129 3.960 -0.780 0.000 0.248 251 G C -1.808 172.405 174.900 -1.145 0.000 0.979 251 G CA 0.452 44.933 45.100 -1.031 0.000 0.650 251 G HN -0.142 7.495 8.290 -0.831 0.154 0.529 252 H N -0.843 117.891 119.070 -0.559 0.000 2.717 252 H HA 0.337 4.736 4.556 -0.261 0.000 0.366 252 H C -1.800 173.433 175.328 -0.158 0.000 1.132 252 H CA -1.489 54.383 56.048 -0.292 0.000 1.180 252 H CB 3.505 33.148 29.762 -0.199 0.000 1.678 252 H HN -0.873 7.071 8.280 -0.483 0.047 0.537 253 N N 1.163 119.827 118.700 -0.060 0.000 2.492 253 N HA -0.089 4.591 4.740 -0.099 0.000 0.260 253 N C -1.008 174.326 175.510 -0.293 0.000 1.215 253 N CA 1.055 53.965 53.050 -0.234 0.000 0.923 253 N CB 0.885 39.011 38.487 -0.601 0.000 1.092 253 N HN 0.175 8.458 8.380 -0.161 0.000 0.448 254 I N 0.878 121.205 120.570 -0.404 0.000 2.377 254 I HA 0.234 4.419 4.170 -0.244 -0.162 0.293 254 I C -0.099 175.909 176.117 -0.180 0.000 0.987 254 I CA -0.858 60.223 61.300 -0.364 0.000 1.185 254 I CB 2.166 39.856 38.000 -0.516 0.000 1.341 254 I HN 0.084 7.960 8.210 -0.557 0.000 0.455 255 I N 6.682 127.274 120.570 0.038 0.000 2.282 255 I HA 0.347 4.948 4.170 0.457 -0.157 0.290 255 I C -1.104 175.156 176.117 0.239 0.000 1.090 255 I CA -0.736 60.721 61.300 0.262 0.000 1.231 255 I CB -0.147 37.992 38.000 0.231 0.000 1.434 255 I HN 0.324 8.534 8.210 0.000 0.000 0.487 256 G N 5.806 114.888 108.800 0.470 0.000 2.430 256 G HA2 0.380 4.771 3.960 0.533 0.000 0.300 256 G HA3 0.380 4.623 3.960 0.472 0.000 0.300 256 G C -3.357 172.074 174.900 0.885 0.000 1.330 256 G CA 0.648 46.105 45.100 0.595 0.000 0.813 256 G HN -0.036 8.631 8.290 0.628 0.000 0.487 257 A N -0.647 122.608 122.820 0.725 0.000 2.256 257 A HA 0.744 5.272 4.320 0.347 0.000 0.317 257 A C -2.233 175.569 177.584 0.364 0.000 1.318 257 A CA -2.185 50.097 52.037 0.408 0.000 0.894 257 A CB 1.821 20.879 19.000 0.095 0.000 1.165 257 A HN 0.341 8.896 8.150 0.675 0.000 0.525 258 F N 7.777 127.767 119.950 0.067 0.000 2.410 258 F HA 0.690 5.014 4.527 -0.612 -0.163 0.349 258 F C -1.602 174.107 175.800 -0.152 0.000 1.117 258 F CA -1.187 56.625 58.000 -0.313 0.000 1.104 258 F CB 3.108 41.910 39.000 -0.330 0.000 1.122 258 F HN 0.565 9.117 8.300 0.419 0.000 0.483 259 T N 9.819 123.849 114.554 -0.873 0.000 2.921 259 T HA 0.585 4.752 4.350 -0.615 -0.186 0.297 259 T C -2.374 171.736 174.700 -0.982 0.000 1.013 259 T CA -0.660 61.037 62.100 -0.671 0.000 0.990 259 T CB 2.889 71.669 68.868 -0.147 0.000 1.023 259 T HN 0.103 7.807 8.240 -0.893 0.000 0.447 260 A N 5.517 127.680 122.820 -1.095 0.000 2.549 260 A HA 0.545 4.251 4.320 -1.229 -0.123 0.297 260 A C -3.400 173.406 177.584 -1.295 0.000 1.061 260 A CA -0.906 50.380 52.037 -1.251 0.000 0.690 260 A CB 4.041 22.350 19.000 -1.151 0.000 1.287 260 A HN 0.726 8.326 8.150 -0.917 0.000 0.402 261 Y N 2.331 121.679 120.300 -1.585 0.000 2.326 261 Y HA 0.303 4.430 4.550 -0.928 -0.133 0.329 261 Y C -0.762 174.673 175.900 -0.775 0.000 0.973 261 Y CA -1.672 55.717 58.100 -1.186 0.000 1.162 261 Y CB 3.404 41.034 38.460 -1.382 0.000 1.147 261 Y HN 0.238 7.636 8.280 -1.471 0.000 0.456 262 K N 5.175 124.967 120.400 -1.014 0.000 3.088 262 K HA -0.542 3.446 4.320 -0.553 0.000 0.273 262 K C -1.256 175.097 176.600 -0.412 0.000 1.111 262 K CA 1.409 57.285 56.287 -0.685 0.000 0.803 262 K CB -2.172 29.899 32.500 -0.714 0.000 1.226 262 K HN 0.764 8.428 8.250 -0.976 0.000 0.485 263 S N -2.042 113.381 115.700 -0.460 0.000 2.614 263 S HA -0.071 4.290 4.470 -0.183 0.000 0.265 263 S C -0.308 174.300 174.600 0.014 0.000 1.303 263 S CA 0.480 58.544 58.200 -0.227 0.000 1.000 263 S CB 1.311 64.338 63.200 -0.287 0.000 0.935 263 S HN -0.200 7.659 8.310 -0.711 0.025 0.551 264 G N -0.828 107.990 108.800 0.030 0.000 2.870 264 G HA2 0.304 4.247 3.960 -0.028 0.000 0.299 264 G HA3 0.304 4.242 3.960 -0.037 0.000 0.299 264 G C -0.618 174.284 174.900 0.004 0.000 1.324 264 G CA -0.647 44.446 45.100 -0.013 0.000 0.808 264 G HN -0.178 8.126 8.290 0.023 0.000 0.535 265 H N 0.781 119.902 119.070 0.085 0.000 2.319 265 H HA -0.197 4.626 4.556 0.073 -0.223 0.299 265 H C 2.312 177.673 175.328 0.056 0.000 1.092 265 H CA 3.970 60.056 56.048 0.064 0.000 1.302 265 H CB 0.013 29.796 29.762 0.034 0.000 1.373 265 H HN 0.435 8.595 8.280 -0.200 0.000 0.497 266 A N -1.554 121.369 122.820 0.172 0.000 1.902 266 A HA -0.266 4.116 4.320 0.103 0.000 0.217 266 A C 1.910 179.550 177.584 0.094 0.000 1.181 266 A CA 2.989 55.092 52.037 0.109 0.000 0.623 266 A CB -0.996 18.053 19.000 0.081 0.000 0.818 266 A HN -0.306 8.048 8.150 0.166 -0.105 0.443 267 L N -2.442 118.833 121.223 0.087 0.000 2.131 267 L HA -0.244 4.146 4.340 0.082 0.000 0.206 267 L C 1.484 178.426 176.870 0.121 0.000 1.087 267 L CA 2.281 57.172 54.840 0.085 0.000 0.767 267 L CB -0.142 41.947 42.059 0.050 0.000 0.917 267 L HN -0.276 8.002 8.230 0.080 0.000 0.441 268 N N -0.347 118.440 118.700 0.145 0.000 2.120 268 N HA -0.400 4.480 4.740 0.233 0.000 0.188 268 N C 2.247 177.845 175.510 0.147 0.000 1.024 268 N CA 3.203 56.361 53.050 0.180 0.000 0.852 268 N CB -0.624 37.968 38.487 0.173 0.000 1.003 268 N HN -0.122 8.341 8.380 0.137 0.000 0.424 269 N N 0.133 118.905 118.700 0.120 0.000 2.188 269 N HA -0.293 4.494 4.740 0.079 0.000 0.184 269 N C 1.366 176.925 175.510 0.082 0.000 1.018 269 N CA 3.170 56.273 53.050 0.087 0.000 0.858 269 N CB 0.194 38.722 38.487 0.068 0.000 0.989 269 N HN -0.237 8.218 8.380 0.124 0.000 0.426 270 K N 0.361 120.815 120.400 0.090 0.000 2.097 270 K HA -0.285 4.076 4.320 0.069 0.000 0.206 270 K C 2.326 178.988 176.600 0.104 0.000 1.049 270 K CA 3.040 59.377 56.287 0.084 0.000 0.933 270 K CB -0.100 32.449 32.500 0.082 0.000 0.717 270 K HN -0.606 7.615 8.250 0.096 0.086 0.442 271 L N -0.336 120.972 121.223 0.142 0.000 2.027 271 L HA -0.231 4.215 4.340 0.176 0.000 0.206 271 L C 1.220 178.201 176.870 0.184 0.000 1.074 271 L CA 2.964 57.918 54.840 0.190 0.000 0.745 271 L CB -0.431 41.786 42.059 0.263 0.000 0.898 271 L HN -0.436 7.884 8.230 0.149 0.000 0.433 272 L N -1.386 119.931 121.223 0.157 0.000 2.012 272 L HA -0.467 3.936 4.340 0.104 0.000 0.210 272 L C 1.868 178.737 176.870 -0.002 0.000 1.073 272 L CA 3.343 58.232 54.840 0.082 0.000 0.748 272 L CB -0.516 41.574 42.059 0.050 0.000 0.891 272 L HN -0.531 7.792 8.230 0.155 0.000 0.431 273 Q N -2.362 117.449 119.800 0.018 0.000 2.119 273 Q HA -0.375 3.946 4.340 -0.032 0.000 0.201 273 Q C 2.407 178.417 176.000 0.017 0.000 0.972 273 Q CA 3.170 58.972 55.803 -0.000 0.000 0.847 273 Q CB -0.134 28.614 28.738 0.017 0.000 0.903 273 Q HN -0.182 8.113 8.270 0.041 0.000 0.433 274 A N 0.136 122.986 122.820 0.051 0.000 1.902 274 A HA -0.238 4.119 4.320 0.063 0.000 0.217 274 A C 2.148 179.776 177.584 0.072 0.000 1.181 274 A CA 3.047 55.125 52.037 0.069 0.000 0.623 274 A CB -0.753 18.302 19.000 0.093 0.000 0.818 274 A HN -0.474 7.716 8.150 0.067 0.000 0.443 275 V N -1.160 118.789 119.914 0.058 0.000 2.261 275 V HA -0.528 3.653 4.120 0.102 0.000 0.246 275 V C 2.482 178.551 176.094 -0.041 0.000 1.047 275 V CA 4.170 66.488 62.300 0.029 0.000 1.015 275 V CB -0.042 31.755 31.823 -0.044 0.000 0.642 275 V HN -0.383 7.847 8.190 0.066 0.000 0.446 276 L N -2.254 118.836 121.223 -0.221 0.000 2.201 276 L HA -0.295 3.555 4.340 -0.817 0.000 0.212 276 L C 2.182 179.126 176.870 0.123 0.000 1.105 276 L CA 2.387 57.029 54.840 -0.329 0.000 0.775 276 L CB -0.863 40.972 42.059 -0.372 0.000 0.913 276 L HN -0.544 7.568 8.230 -0.196 0.000 0.440 277 A N -2.590 120.286 122.820 0.092 0.000 2.014 277 A HA -0.145 4.244 4.320 0.114 0.000 0.218 277 A C -0.460 177.214 177.584 0.149 0.000 1.163 277 A CA 1.517 53.623 52.037 0.114 0.000 0.652 277 A CB -0.113 18.928 19.000 0.068 0.000 0.808 277 A HN -0.363 7.794 8.150 0.047 0.022 0.449 278 K N -0.792 119.719 120.400 0.186 0.000 2.250 278 K HA 0.065 4.445 4.320 0.100 0.000 0.280 278 K C 0.597 177.295 176.600 0.162 0.000 1.098 278 K CA -0.892 55.486 56.287 0.151 0.000 0.916 278 K CB -0.286 32.292 32.500 0.130 0.000 1.209 278 K HN -0.701 7.540 8.250 0.197 0.127 0.461 279 Q N 6.432 126.252 119.800 0.034 0.000 2.135 279 Q HA -0.394 3.800 4.340 -0.243 0.000 0.204 279 Q C 1.603 177.437 176.000 -0.276 0.000 0.981 279 Q CA 3.992 59.699 55.803 -0.160 0.000 0.856 279 Q CB 0.074 28.733 28.738 -0.131 0.000 0.902 279 Q HN 0.623 8.912 8.270 0.032 0.000 0.425 280 E N -2.349 117.778 120.200 -0.122 0.000 2.358 280 E HA -0.222 4.034 4.350 -0.156 0.000 0.195 280 E C 0.196 176.756 176.600 -0.068 0.000 1.010 280 E CA 1.885 58.219 56.400 -0.110 0.000 0.856 280 E CB -0.658 29.012 29.700 -0.050 0.000 0.795 280 E HN 0.310 8.615 8.360 -0.059 0.020 0.504 281 A N -2.832 120.001 122.820 0.021 0.000 2.238 281 A HA 0.040 4.489 4.320 0.083 -0.079 0.208 281 A C -1.323 176.381 177.584 0.201 0.000 1.177 281 A CA 0.376 52.486 52.037 0.122 0.000 0.804 281 A CB 0.463 19.572 19.000 0.182 0.000 0.823 281 A HN -0.257 7.771 8.150 0.050 0.152 0.482 282 W N -6.321 114.919 121.300 -0.099 0.000 2.989 282 W HA 0.769 5.520 4.660 -0.129 -0.168 0.344 282 W C -2.677 173.736 176.519 -0.176 0.000 1.233 282 W CA -1.152 56.103 57.345 -0.150 0.000 1.187 282 W CB 2.235 31.568 29.460 -0.211 0.000 1.443 282 W HN -0.826 7.181 8.180 -0.193 0.057 0.573 283 E N -3.930 116.212 120.200 -0.097 0.000 2.375 283 E HA 0.273 4.120 4.350 -0.837 0.000 0.280 283 E C -2.711 173.866 176.600 -0.039 0.000 0.972 283 E CA -1.546 54.641 56.400 -0.355 0.000 0.782 283 E CB 3.118 32.673 29.700 -0.242 0.000 1.229 283 E HN -0.203 8.260 8.360 0.171 0.000 0.439 284 Y N 1.730 122.031 120.300 0.002 0.000 2.425 284 Y HA 0.656 5.485 4.550 0.087 -0.227 0.331 284 Y C 0.848 176.716 175.900 -0.053 0.000 1.157 284 Y CA 0.500 58.618 58.100 0.031 0.000 1.372 284 Y CB 0.674 39.125 38.460 -0.016 0.000 1.253 284 Y HN 0.283 8.476 8.280 -0.145 0.000 0.536 285 V N -0.972 119.014 119.914 0.119 0.000 2.876 285 V HA 0.714 4.770 4.120 -0.106 0.000 0.312 285 V C -1.585 174.419 176.094 -0.149 0.000 1.085 285 V CA -2.663 59.577 62.300 -0.099 0.000 0.945 285 V CB 3.685 35.361 31.823 -0.245 0.000 1.017 285 V HN 0.584 8.888 8.190 0.190 0.000 0.428 286 T N -1.220 113.161 114.554 -0.289 0.000 2.926 286 T HA 0.437 4.755 4.350 -0.054 0.000 0.289 286 T C -0.730 173.661 174.700 -0.514 0.000 1.054 286 T CA -1.717 60.249 62.100 -0.222 0.000 1.015 286 T CB 2.819 71.662 68.868 -0.042 0.000 1.167 286 T HN -0.188 7.883 8.240 -0.282 0.000 0.526 287 F N 0.639 120.649 119.950 0.101 0.000 2.552 287 F HA 0.305 4.848 4.527 0.027 0.000 0.369 287 F C 0.079 175.911 175.800 0.053 0.000 1.112 287 F CA -1.301 56.728 58.000 0.049 0.000 1.129 287 F CB 0.416 39.427 39.000 0.018 0.000 1.360 287 F HN 0.362 8.796 8.300 0.224 0.000 0.473 288 Q N 1.123 121.015 119.800 0.153 0.000 2.167 288 Q HA -0.195 4.208 4.340 0.104 0.000 0.202 288 Q C -0.418 175.653 176.000 0.118 0.000 0.970 288 Q CA 1.987 57.856 55.803 0.109 0.000 0.855 288 Q CB 0.462 29.236 28.738 0.061 0.000 0.911 288 Q HN 0.305 8.636 8.270 0.101 0.000 0.438 289 D N -1.826 118.658 120.400 0.141 0.000 2.313 289 D HA 0.084 4.774 4.640 0.084 0.000 0.239 289 D C 0.015 176.385 176.300 0.117 0.000 1.142 289 D CA -0.602 53.464 54.000 0.111 0.000 0.847 289 D CB 1.184 42.041 40.800 0.095 0.000 1.082 289 D HN -0.340 8.121 8.370 0.163 0.006 0.480 290 D N 6.773 127.217 120.400 0.073 0.000 2.264 290 D HA -0.222 4.447 4.640 0.047 0.000 0.208 290 D C 0.631 176.914 176.300 -0.028 0.000 0.966 290 D CA 2.583 56.604 54.000 0.035 0.000 0.864 290 D CB -0.209 40.615 40.800 0.040 0.000 0.933 290 D HN 0.450 8.860 8.370 0.066 0.000 0.499 291 A N -1.601 121.212 122.820 -0.010 0.000 1.968 291 A HA -0.175 4.122 4.320 -0.038 0.000 0.217 291 A C 1.447 178.988 177.584 -0.073 0.000 1.169 291 A CA 2.152 54.170 52.037 -0.031 0.000 0.638 291 A CB -0.312 18.685 19.000 -0.004 0.000 0.812 291 A HN -0.467 7.954 8.150 0.015 -0.263 0.446 292 E N -3.463 116.706 120.200 -0.052 0.000 2.268 292 E HA -0.211 4.120 4.350 -0.032 0.000 0.195 292 E C 0.127 176.489 176.600 -0.396 0.000 0.995 292 E CA 0.261 56.626 56.400 -0.058 0.000 0.836 292 E CB 0.100 29.911 29.700 0.186 0.000 0.763 292 E HN -0.577 7.784 8.360 0.002 0.000 0.491 293 L N 1.869 122.685 121.223 -0.678 0.000 2.584 293 L HA 0.028 3.120 4.340 -2.080 0.000 0.272 293 L C -2.033 174.530 176.870 -0.512 0.000 1.195 293 L CA -1.255 52.945 54.840 -1.067 0.000 0.920 293 L CB 0.176 41.852 42.059 -0.639 0.000 1.173 293 L HN -0.928 6.987 8.230 -0.459 0.039 0.489 294 P HA 0.020 4.345 4.420 -0.157 0.000 0.269 294 P C 0.519 177.758 177.300 -0.103 0.000 1.217 294 P CA -0.196 62.801 63.100 -0.173 0.000 0.783 294 P CB 0.565 32.225 31.700 -0.067 0.000 0.898 295 L N 2.674 123.850 121.223 -0.078 0.000 2.043 295 L HA -0.440 3.873 4.340 -0.044 0.000 0.212 295 L C 1.970 178.808 176.870 -0.054 0.000 1.075 295 L CA 3.310 58.120 54.840 -0.051 0.000 0.752 295 L CB -0.397 41.642 42.059 -0.033 0.000 0.891 295 L HN 0.474 8.657 8.230 -0.077 0.000 0.432 296 A N -3.000 119.747 122.820 -0.123 0.000 2.024 296 A HA -0.115 4.271 4.320 -0.103 -0.128 0.220 296 A C 1.186 178.633 177.584 -0.228 0.000 1.164 296 A CA 2.356 54.258 52.037 -0.225 0.000 0.643 296 A CB -0.539 18.224 19.000 -0.395 0.000 0.806 296 A HN 0.071 8.129 8.150 -0.126 0.016 0.451 297 F N -5.954 114.117 119.950 0.202 0.000 2.837 297 F HA 0.198 4.927 4.527 0.336 0.000 0.298 297 F C -0.776 175.119 175.800 0.157 0.000 1.161 297 F CA -1.264 56.886 58.000 0.250 0.000 1.353 297 F CB -0.906 38.288 39.000 0.323 0.000 0.951 297 F HN -0.792 7.490 8.300 0.026 0.034 0.508 298 K N 0.842 121.359 120.400 0.194 0.000 2.202 298 K HA 0.093 4.487 4.320 0.124 0.000 0.264 298 K C -0.163 176.515 176.600 0.131 0.000 1.010 298 K CA -0.963 55.399 56.287 0.125 0.000 0.940 298 K CB 0.451 32.984 32.500 0.056 0.000 0.983 298 K HN -0.888 7.377 8.250 0.130 0.063 0.475 299 A N 2.889 125.772 122.820 0.106 0.000 2.445 299 A HA 0.135 4.519 4.320 0.106 0.000 0.242 299 A C -1.223 176.398 177.584 0.063 0.000 1.075 299 A CA -1.145 50.946 52.037 0.090 0.000 0.777 299 A CB -0.920 18.125 19.000 0.076 0.000 1.013 299 A HN 0.235 8.443 8.150 0.095 0.000 0.493 300 P HA 0.000 4.438 4.420 0.030 0.000 0.216 300 P CA 0.000 63.121 63.100 0.036 0.000 0.800 300 P CB 0.000 31.719 31.700 0.032 0.000 0.726